USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 706 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: B 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0405 K(o=-0.041,f=-4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -161:sc= -3.8! (180deg=-4.18) USER MOD Single : A 31 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 36 THR OG1 : rot 80:sc= 1.31 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= 0.0189 K(o=0.019,f=-3.7!) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 MET CE :methyl -160:sc= -2.98! (180deg=-3.04) USER MOD Single : B 31 THR OG1 : rot 78:sc= 1.2 USER MOD Single : B 36 THR OG1 : rot 78:sc= 1.25 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.159 -10.317 -3.260 1.00 11.25 N ATOM 2 CA GLY A 1 -0.539 -9.242 -2.363 1.00 14.02 C ATOM 3 C GLY A 1 -1.804 -9.555 -1.586 1.00 75.34 C ATOM 4 O GLY A 1 -2.910 -9.294 -2.058 1.00 54.04 O ATOM 0 H1 GLY A 1 0.710 -10.055 -3.767 1.00 11.25 H new ATOM 0 H2 GLY A 1 0.009 -11.184 -2.711 1.00 11.25 H new ATOM 0 H3 GLY A 1 -0.923 -10.483 -3.946 1.00 11.25 H new ATOM 0 HA2 GLY A 1 0.275 -9.051 -1.664 1.00 14.02 H new ATOM 0 HA3 GLY A 1 -0.686 -8.328 -2.938 1.00 14.02 H new ATOM 8 N SER A 2 -1.640 -10.117 -0.393 1.00 41.23 N ATOM 9 CA SER A 2 -2.777 -10.471 0.448 1.00 62.12 C ATOM 10 C SER A 2 -2.763 -9.670 1.746 1.00 34.23 C ATOM 11 O SER A 2 -1.702 -9.306 2.251 1.00 74.10 O ATOM 12 CB SER A 2 -2.761 -11.969 0.760 1.00 34.41 C ATOM 13 OG SER A 2 -1.484 -12.528 0.506 1.00 64.14 O ATOM 0 H SER A 2 -0.731 -10.337 0.013 1.00 41.23 H new ATOM 0 HA SER A 2 -3.689 -10.230 -0.097 1.00 62.12 H new ATOM 0 HB2 SER A 2 -3.031 -12.129 1.804 1.00 34.41 H new ATOM 0 HB3 SER A 2 -3.511 -12.478 0.155 1.00 34.41 H new ATOM 0 HG SER A 2 -1.499 -13.485 0.715 1.00 64.14 H new ATOM 19 N GLN A 3 -3.950 -9.399 2.280 1.00 64.11 N ATOM 20 CA GLN A 3 -4.074 -8.640 3.519 1.00 25.35 C ATOM 21 C GLN A 3 -3.339 -9.336 4.659 1.00 30.11 C ATOM 22 O GLN A 3 -2.802 -8.683 5.555 1.00 63.41 O ATOM 23 CB GLN A 3 -5.549 -8.458 3.884 1.00 12.24 C ATOM 24 CG GLN A 3 -5.854 -7.118 4.534 1.00 43.55 C ATOM 25 CD GLN A 3 -6.001 -5.999 3.522 1.00 25.24 C ATOM 26 OE1 GLN A 3 -7.091 -5.755 3.003 1.00 75.43 O ATOM 27 NE2 GLN A 3 -4.902 -5.310 3.237 1.00 11.53 N ATOM 0 H GLN A 3 -4.838 -9.693 1.874 1.00 64.11 H new ATOM 0 HA GLN A 3 -3.621 -7.661 3.363 1.00 25.35 H new ATOM 0 HB2 GLN A 3 -6.153 -8.561 2.983 1.00 12.24 H new ATOM 0 HB3 GLN A 3 -5.848 -9.258 4.562 1.00 12.24 H new ATOM 0 HG2 GLN A 3 -6.773 -7.201 5.115 1.00 43.55 H new ATOM 0 HG3 GLN A 3 -5.056 -6.868 5.234 1.00 43.55 H new ATOM 0 HE21 GLN A 3 -4.020 -5.547 3.691 1.00 11.53 H new ATOM 0 HE22 GLN A 3 -4.940 -4.544 2.564 1.00 11.53 H new ATOM 36 N LYS A 4 -3.316 -10.663 4.621 1.00 34.01 N ATOM 37 CA LYS A 4 -2.645 -11.448 5.649 1.00 71.41 C ATOM 38 C LYS A 4 -1.175 -11.057 5.760 1.00 4.12 C ATOM 39 O LYS A 4 -0.625 -10.972 6.859 1.00 62.12 O ATOM 40 CB LYS A 4 -2.765 -12.943 5.340 1.00 53.43 C ATOM 41 CG LYS A 4 -2.633 -13.831 6.565 1.00 71.34 C ATOM 42 CD LYS A 4 -1.961 -15.150 6.227 1.00 70.40 C ATOM 43 CE LYS A 4 -2.980 -16.218 5.860 1.00 3.43 C ATOM 44 NZ LYS A 4 -2.517 -17.581 6.242 1.00 50.43 N1+ ATOM 0 H LYS A 4 -3.756 -11.219 3.887 1.00 34.01 H new ATOM 0 HA LYS A 4 -3.131 -11.241 6.603 1.00 71.41 H new ATOM 0 HB2 LYS A 4 -3.729 -13.131 4.868 1.00 53.43 H new ATOM 0 HB3 LYS A 4 -1.997 -13.219 4.618 1.00 53.43 H new ATOM 0 HG2 LYS A 4 -2.055 -13.313 7.331 1.00 71.34 H new ATOM 0 HG3 LYS A 4 -3.620 -14.022 6.985 1.00 71.34 H new ATOM 0 HD2 LYS A 4 -1.270 -15.005 5.397 1.00 70.40 H new ATOM 0 HD3 LYS A 4 -1.370 -15.487 7.079 1.00 70.40 H new ATOM 0 HE2 LYS A 4 -3.926 -16.003 6.357 1.00 3.43 H new ATOM 0 HE3 LYS A 4 -3.169 -16.186 4.787 1.00 3.43 H new ATOM 0 HZ1 LYS A 4 -3.239 -18.280 5.975 1.00 50.43 H new ATOM 0 HZ2 LYS A 4 -1.627 -17.796 5.748 1.00 50.43 H new ATOM 0 HZ3 LYS A 4 -2.361 -17.619 7.270 1.00 50.43 H new ATOM 58 N LEU A 5 -0.544 -10.819 4.616 1.00 55.13 N ATOM 59 CA LEU A 5 0.863 -10.434 4.584 1.00 10.52 C ATOM 60 C LEU A 5 1.122 -9.239 5.495 1.00 65.40 C ATOM 61 O LEU A 5 2.000 -9.280 6.356 1.00 20.14 O ATOM 62 CB LEU A 5 1.289 -10.102 3.153 1.00 12.44 C ATOM 63 CG LEU A 5 2.523 -10.839 2.631 1.00 23.50 C ATOM 64 CD1 LEU A 5 3.745 -10.494 3.467 1.00 23.30 C ATOM 65 CD2 LEU A 5 2.284 -12.343 2.629 1.00 0.21 C ATOM 0 H LEU A 5 -0.984 -10.886 3.698 1.00 55.13 H new ATOM 0 HA LEU A 5 1.453 -11.276 4.945 1.00 10.52 H new ATOM 0 HB2 LEU A 5 0.453 -10.318 2.487 1.00 12.44 H new ATOM 0 HB3 LEU A 5 1.478 -9.030 3.091 1.00 12.44 H new ATOM 0 HG LEU A 5 2.707 -10.518 1.606 1.00 23.50 H new ATOM 0 HD11 LEU A 5 4.613 -11.028 3.080 1.00 23.30 H new ATOM 0 HD12 LEU A 5 3.928 -9.421 3.418 1.00 23.30 H new ATOM 0 HD13 LEU A 5 3.571 -10.786 4.503 1.00 23.30 H new ATOM 0 HD21 LEU A 5 3.172 -12.852 2.255 1.00 0.21 H new ATOM 0 HD22 LEU A 5 2.074 -12.679 3.644 1.00 0.21 H new ATOM 0 HD23 LEU A 5 1.435 -12.576 1.987 1.00 0.21 H new ATOM 77 N VAL A 6 0.350 -8.174 5.299 1.00 34.42 N ATOM 78 CA VAL A 6 0.493 -6.968 6.105 1.00 12.01 C ATOM 79 C VAL A 6 0.406 -7.287 7.593 1.00 52.44 C ATOM 80 O VAL A 6 1.115 -6.697 8.408 1.00 23.24 O ATOM 81 CB VAL A 6 -0.585 -5.925 5.750 1.00 34.54 C ATOM 82 CG1 VAL A 6 -0.339 -4.626 6.502 1.00 2.52 C ATOM 83 CG2 VAL A 6 -0.618 -5.684 4.249 1.00 33.41 C ATOM 0 H VAL A 6 -0.380 -8.123 4.589 1.00 34.42 H new ATOM 0 HA VAL A 6 1.476 -6.554 5.883 1.00 12.01 H new ATOM 0 HB VAL A 6 -1.557 -6.314 6.054 1.00 34.54 H new ATOM 0 HG11 VAL A 6 -1.110 -3.902 6.239 1.00 2.52 H new ATOM 0 HG12 VAL A 6 -0.370 -4.815 7.575 1.00 2.52 H new ATOM 0 HG13 VAL A 6 0.639 -4.229 6.232 1.00 2.52 H new ATOM 0 HG21 VAL A 6 -1.385 -4.945 4.016 1.00 33.41 H new ATOM 0 HG22 VAL A 6 0.353 -5.316 3.918 1.00 33.41 H new ATOM 0 HG23 VAL A 6 -0.846 -6.618 3.735 1.00 33.41 H new ATOM 93 N PHE A 7 -0.470 -8.224 7.941 1.00 61.44 N ATOM 94 CA PHE A 7 -0.651 -8.622 9.332 1.00 32.21 C ATOM 95 C PHE A 7 0.568 -9.382 9.843 1.00 61.02 C ATOM 96 O PHE A 7 0.934 -9.276 11.015 1.00 45.44 O ATOM 97 CB PHE A 7 -1.904 -9.487 9.478 1.00 73.41 C ATOM 98 CG PHE A 7 -3.002 -8.827 10.263 1.00 71.22 C ATOM 99 CD1 PHE A 7 -3.739 -7.791 9.713 1.00 4.31 C ATOM 100 CD2 PHE A 7 -3.295 -9.244 11.552 1.00 62.31 C ATOM 101 CE1 PHE A 7 -4.747 -7.182 10.435 1.00 31.22 C ATOM 102 CE2 PHE A 7 -4.304 -8.638 12.278 1.00 73.50 C ATOM 103 CZ PHE A 7 -5.032 -7.607 11.717 1.00 75.42 C ATOM 0 H PHE A 7 -1.065 -8.722 7.279 1.00 61.44 H new ATOM 0 HA PHE A 7 -0.770 -7.718 9.930 1.00 32.21 H new ATOM 0 HB2 PHE A 7 -2.279 -9.739 8.486 1.00 73.41 H new ATOM 0 HB3 PHE A 7 -1.634 -10.424 9.964 1.00 73.41 H new ATOM 0 HD1 PHE A 7 -3.523 -7.456 8.709 1.00 4.31 H new ATOM 0 HD2 PHE A 7 -2.729 -10.051 11.994 1.00 62.31 H new ATOM 0 HE1 PHE A 7 -5.312 -6.373 9.996 1.00 31.22 H new ATOM 0 HE2 PHE A 7 -4.522 -8.970 13.282 1.00 73.50 H new ATOM 0 HZ PHE A 7 -5.823 -7.134 12.280 1.00 75.42 H new ATOM 113 N PHE A 8 1.194 -10.151 8.957 1.00 13.13 N ATOM 114 CA PHE A 8 2.371 -10.931 9.317 1.00 30.33 C ATOM 115 C PHE A 8 3.530 -10.017 9.712 1.00 54.30 C ATOM 116 O PHE A 8 4.235 -10.278 10.685 1.00 44.05 O ATOM 117 CB PHE A 8 2.790 -11.830 8.152 1.00 30.20 C ATOM 118 CG PHE A 8 3.550 -13.052 8.583 1.00 54.04 C ATOM 119 CD1 PHE A 8 2.932 -14.041 9.331 1.00 52.31 C ATOM 120 CD2 PHE A 8 4.882 -13.213 8.237 1.00 24.35 C ATOM 121 CE1 PHE A 8 3.628 -15.168 9.727 1.00 55.13 C ATOM 122 CE2 PHE A 8 5.583 -14.337 8.631 1.00 75.13 C ATOM 123 CZ PHE A 8 4.956 -15.315 9.377 1.00 21.42 C ATOM 0 H PHE A 8 0.905 -10.250 7.984 1.00 13.13 H new ATOM 0 HA PHE A 8 2.114 -11.554 10.174 1.00 30.33 H new ATOM 0 HB2 PHE A 8 1.900 -12.140 7.604 1.00 30.20 H new ATOM 0 HB3 PHE A 8 3.405 -11.254 7.461 1.00 30.20 H new ATOM 0 HD1 PHE A 8 1.894 -13.930 9.608 1.00 52.31 H new ATOM 0 HD2 PHE A 8 5.378 -12.452 7.653 1.00 24.35 H new ATOM 0 HE1 PHE A 8 3.134 -15.932 10.309 1.00 55.13 H new ATOM 0 HE2 PHE A 8 6.621 -14.450 8.355 1.00 75.13 H new ATOM 0 HZ PHE A 8 5.503 -16.193 9.686 1.00 21.42 H new ATOM 133 N ALA A 9 3.717 -8.946 8.947 1.00 21.40 N ATOM 134 CA ALA A 9 4.787 -7.994 9.216 1.00 62.33 C ATOM 135 C ALA A 9 4.667 -7.417 10.622 1.00 0.01 C ATOM 136 O ALA A 9 5.670 -7.214 11.306 1.00 3.14 O ATOM 137 CB ALA A 9 4.772 -6.878 8.182 1.00 22.01 C ATOM 0 H ALA A 9 3.142 -8.716 8.137 1.00 21.40 H new ATOM 0 HA ALA A 9 5.737 -8.524 9.149 1.00 62.33 H new ATOM 0 HB1 ALA A 9 5.576 -6.174 8.395 1.00 22.01 H new ATOM 0 HB2 ALA A 9 4.914 -7.301 7.188 1.00 22.01 H new ATOM 0 HB3 ALA A 9 3.815 -6.358 8.222 1.00 22.01 H new ATOM 143 N GLU A 10 3.435 -7.155 11.047 1.00 15.33 N ATOM 144 CA GLU A 10 3.186 -6.599 12.372 1.00 73.03 C ATOM 145 C GLU A 10 3.349 -7.667 13.449 1.00 31.35 C ATOM 146 O GLU A 10 3.812 -7.384 14.554 1.00 53.40 O ATOM 147 CB GLU A 10 1.780 -5.998 12.441 1.00 4.11 C ATOM 148 CG GLU A 10 1.761 -4.483 12.331 1.00 14.13 C ATOM 149 CD GLU A 10 0.996 -3.826 13.464 1.00 72.25 C ATOM 150 OE1 GLU A 10 -0.247 -3.942 13.487 1.00 53.30 O1- ATOM 151 OE2 GLU A 10 1.642 -3.197 14.328 1.00 34.34 O ATOM 0 H GLU A 10 2.594 -7.319 10.493 1.00 15.33 H new ATOM 0 HA GLU A 10 3.918 -5.812 12.552 1.00 73.03 H new ATOM 0 HB2 GLU A 10 1.174 -6.420 11.639 1.00 4.11 H new ATOM 0 HB3 GLU A 10 1.314 -6.292 13.382 1.00 4.11 H new ATOM 0 HG2 GLU A 10 2.785 -4.110 12.325 1.00 14.13 H new ATOM 0 HG3 GLU A 10 1.312 -4.197 11.380 1.00 14.13 H new ATOM 158 N ASP A 11 2.965 -8.895 13.119 1.00 31.13 N ATOM 159 CA ASP A 11 3.068 -10.007 14.057 1.00 4.32 C ATOM 160 C ASP A 11 4.499 -10.163 14.560 1.00 44.41 C ATOM 161 O ASP A 11 4.729 -10.612 15.683 1.00 63.24 O ATOM 162 CB ASP A 11 2.602 -11.306 13.395 1.00 22.41 C ATOM 163 CG ASP A 11 2.240 -12.374 14.408 1.00 42.04 C ATOM 164 OD1 ASP A 11 2.629 -12.232 15.586 1.00 35.13 O ATOM 165 OD2 ASP A 11 1.565 -13.352 14.022 1.00 31.23 O1- ATOM 0 H ASP A 11 2.579 -9.146 12.209 1.00 31.13 H new ATOM 0 HA ASP A 11 2.424 -9.791 14.910 1.00 4.32 H new ATOM 0 HB2 ASP A 11 1.737 -11.099 12.765 1.00 22.41 H new ATOM 0 HB3 ASP A 11 3.390 -11.681 12.742 1.00 22.41 H new ATOM 170 N VAL A 12 5.460 -9.790 13.721 1.00 72.41 N ATOM 171 CA VAL A 12 6.870 -9.887 14.080 1.00 13.34 C ATOM 172 C VAL A 12 7.416 -8.538 14.533 1.00 74.41 C ATOM 173 O VAL A 12 7.941 -8.410 15.639 1.00 11.12 O ATOM 174 CB VAL A 12 7.715 -10.401 12.900 1.00 54.10 C ATOM 175 CG1 VAL A 12 9.149 -10.653 13.339 1.00 70.11 C ATOM 176 CG2 VAL A 12 7.100 -11.663 12.313 1.00 40.34 C ATOM 0 H VAL A 12 5.288 -9.418 12.787 1.00 72.41 H new ATOM 0 HA VAL A 12 6.939 -10.598 14.903 1.00 13.34 H new ATOM 0 HB VAL A 12 7.727 -9.635 12.125 1.00 54.10 H new ATOM 0 HG11 VAL A 12 9.731 -11.016 12.491 1.00 70.11 H new ATOM 0 HG12 VAL A 12 9.585 -9.725 13.708 1.00 70.11 H new ATOM 0 HG13 VAL A 12 9.161 -11.400 14.133 1.00 70.11 H new ATOM 0 HG21 VAL A 12 7.711 -12.012 11.480 1.00 40.34 H new ATOM 0 HG22 VAL A 12 7.056 -12.437 13.080 1.00 40.34 H new ATOM 0 HG23 VAL A 12 6.093 -11.446 11.958 1.00 40.34 H new ATOM 186 N GLY A 13 7.289 -7.534 13.671 1.00 32.11 N ATOM 187 CA GLY A 13 7.775 -6.207 14.001 1.00 10.34 C ATOM 188 C GLY A 13 9.179 -5.959 13.486 1.00 31.51 C ATOM 189 O GLY A 13 9.474 -4.885 12.960 1.00 53.01 O ATOM 0 H GLY A 13 6.858 -7.616 12.750 1.00 32.11 H new ATOM 0 HA2 GLY A 13 7.100 -5.461 13.581 1.00 10.34 H new ATOM 0 HA3 GLY A 13 7.760 -6.077 15.083 1.00 10.34 H new ATOM 193 N SER A 14 10.048 -6.953 13.637 1.00 64.01 N ATOM 194 CA SER A 14 11.429 -6.835 13.187 1.00 72.24 C ATOM 195 C SER A 14 11.666 -7.670 11.932 1.00 14.33 C ATOM 196 O SER A 14 12.800 -8.020 11.611 1.00 12.44 O ATOM 197 CB SER A 14 12.388 -7.278 14.295 1.00 33.22 C ATOM 198 OG SER A 14 12.286 -6.430 15.425 1.00 4.23 O ATOM 0 H SER A 14 9.820 -7.849 14.068 1.00 64.01 H new ATOM 0 HA SER A 14 11.618 -5.789 12.947 1.00 72.24 H new ATOM 0 HB2 SER A 14 12.164 -8.305 14.585 1.00 33.22 H new ATOM 0 HB3 SER A 14 13.411 -7.268 13.920 1.00 33.22 H new ATOM 0 HG SER A 14 12.907 -6.734 16.120 1.00 4.23 H new ATOM 204 N ASN A 15 10.585 -7.983 11.225 1.00 13.04 N ATOM 205 CA ASN A 15 10.672 -8.776 10.004 1.00 44.44 C ATOM 206 C ASN A 15 11.505 -8.057 8.947 1.00 23.11 C ATOM 207 O ASN A 15 12.103 -8.689 8.077 1.00 15.45 O ATOM 208 CB ASN A 15 9.272 -9.065 9.458 1.00 40.44 C ATOM 209 CG ASN A 15 8.513 -7.797 9.115 1.00 52.54 C ATOM 210 OD1 ASN A 15 8.424 -6.876 9.927 1.00 71.43 O ATOM 211 ND2 ASN A 15 7.961 -7.746 7.909 1.00 61.13 N ATOM 0 H ASN A 15 9.638 -7.699 11.477 1.00 13.04 H new ATOM 0 HA ASN A 15 11.161 -9.719 10.247 1.00 44.44 H new ATOM 0 HB2 ASN A 15 9.354 -9.689 8.568 1.00 40.44 H new ATOM 0 HB3 ASN A 15 8.707 -9.635 10.196 1.00 40.44 H new ATOM 0 HD21 ASN A 15 7.437 -6.919 7.623 1.00 61.13 H new ATOM 0 HD22 ASN A 15 8.061 -8.534 7.269 1.00 61.13 H new ATOM 218 N LYS A 16 11.541 -6.732 9.031 1.00 61.12 N ATOM 219 CA LYS A 16 12.302 -5.926 8.084 1.00 50.41 C ATOM 220 C LYS A 16 13.747 -6.407 7.997 1.00 20.34 C ATOM 221 O LYS A 16 14.339 -6.429 6.919 1.00 44.32 O ATOM 222 CB LYS A 16 12.268 -4.451 8.495 1.00 21.41 C ATOM 223 CG LYS A 16 12.808 -4.197 9.893 1.00 24.12 C ATOM 224 CD LYS A 16 12.133 -3.002 10.542 1.00 0.21 C ATOM 225 CE LYS A 16 12.971 -1.741 10.396 1.00 50.40 C ATOM 226 NZ LYS A 16 12.150 -0.572 9.975 1.00 35.21 N1+ ATOM 0 H LYS A 16 11.052 -6.193 9.746 1.00 61.12 H new ATOM 0 HA LYS A 16 11.842 -6.034 7.102 1.00 50.41 H new ATOM 0 HB2 LYS A 16 12.849 -3.869 7.779 1.00 21.41 H new ATOM 0 HB3 LYS A 16 11.241 -4.091 8.440 1.00 21.41 H new ATOM 0 HG2 LYS A 16 12.654 -5.082 10.510 1.00 24.12 H new ATOM 0 HG3 LYS A 16 13.883 -4.026 9.843 1.00 24.12 H new ATOM 0 HD2 LYS A 16 11.155 -2.845 10.088 1.00 0.21 H new ATOM 0 HD3 LYS A 16 11.964 -3.208 11.599 1.00 0.21 H new ATOM 0 HE2 LYS A 16 13.459 -1.518 11.345 1.00 50.40 H new ATOM 0 HE3 LYS A 16 13.760 -1.913 9.664 1.00 50.40 H new ATOM 0 HZ1 LYS A 16 12.759 0.266 9.887 1.00 35.21 H new ATOM 0 HZ2 LYS A 16 11.704 -0.774 9.057 1.00 35.21 H new ATOM 0 HZ3 LYS A 16 11.413 -0.391 10.686 1.00 35.21 H new ATOM 240 N GLY A 17 14.307 -6.794 9.139 1.00 3.15 N ATOM 241 CA GLY A 17 15.677 -7.271 9.169 1.00 12.24 C ATOM 242 C GLY A 17 15.928 -8.375 8.160 1.00 32.33 C ATOM 243 O GLY A 17 16.999 -8.442 7.558 1.00 73.32 O ATOM 0 H GLY A 17 13.836 -6.786 10.044 1.00 3.15 H new ATOM 0 HA2 GLY A 17 16.353 -6.439 8.969 1.00 12.24 H new ATOM 0 HA3 GLY A 17 15.909 -7.637 10.169 1.00 12.24 H new ATOM 247 N ALA A 18 14.940 -9.244 7.979 1.00 53.03 N ATOM 248 CA ALA A 18 15.058 -10.351 7.036 1.00 61.03 C ATOM 249 C ALA A 18 15.093 -9.845 5.598 1.00 74.44 C ATOM 250 O ALA A 18 15.955 -10.240 4.812 1.00 34.51 O ATOM 251 CB ALA A 18 13.911 -11.332 7.226 1.00 63.03 C ATOM 0 H ALA A 18 14.048 -9.204 8.473 1.00 53.03 H new ATOM 0 HA ALA A 18 15.997 -10.867 7.235 1.00 61.03 H new ATOM 0 HB1 ALA A 18 14.012 -12.152 6.516 1.00 63.03 H new ATOM 0 HB2 ALA A 18 13.934 -11.727 8.242 1.00 63.03 H new ATOM 0 HB3 ALA A 18 12.963 -10.821 7.057 1.00 63.03 H new ATOM 257 N ILE A 19 14.150 -8.971 5.261 1.00 42.43 N ATOM 258 CA ILE A 19 14.074 -8.412 3.916 1.00 61.23 C ATOM 259 C ILE A 19 15.383 -7.733 3.528 1.00 4.34 C ATOM 260 O ILE A 19 16.013 -8.098 2.536 1.00 31.10 O ATOM 261 CB ILE A 19 12.925 -7.394 3.795 1.00 5.04 C ATOM 262 CG1 ILE A 19 11.595 -8.047 4.174 1.00 33.14 C ATOM 263 CG2 ILE A 19 12.863 -6.832 2.381 1.00 12.50 C ATOM 264 CD1 ILE A 19 11.240 -9.240 3.313 1.00 34.32 C ATOM 0 H ILE A 19 13.429 -8.635 5.900 1.00 42.43 H new ATOM 0 HA ILE A 19 13.885 -9.244 3.238 1.00 61.23 H new ATOM 0 HB ILE A 19 13.113 -6.571 4.484 1.00 5.04 H new ATOM 0 HG12 ILE A 19 11.638 -8.362 5.217 1.00 33.14 H new ATOM 0 HG13 ILE A 19 10.800 -7.305 4.098 1.00 33.14 H new ATOM 0 HG21 ILE A 19 12.046 -6.114 2.310 1.00 12.50 H new ATOM 0 HG22 ILE A 19 13.804 -6.335 2.145 1.00 12.50 H new ATOM 0 HG23 ILE A 19 12.694 -7.644 1.674 1.00 12.50 H new ATOM 0 HD11 ILE A 19 10.285 -9.652 3.639 1.00 34.32 H new ATOM 0 HD12 ILE A 19 11.164 -8.927 2.272 1.00 34.32 H new ATOM 0 HD13 ILE A 19 12.015 -10.001 3.408 1.00 34.32 H new ATOM 276 N ILE A 20 15.788 -6.745 4.318 1.00 30.40 N ATOM 277 CA ILE A 20 17.023 -6.016 4.060 1.00 44.42 C ATOM 278 C ILE A 20 18.200 -6.973 3.891 1.00 63.42 C ATOM 279 O ILE A 20 18.947 -6.889 2.918 1.00 73.05 O ATOM 280 CB ILE A 20 17.341 -5.023 5.194 1.00 2.11 C ATOM 281 CG1 ILE A 20 16.208 -4.007 5.342 1.00 52.20 C ATOM 282 CG2 ILE A 20 18.662 -4.319 4.926 1.00 31.43 C ATOM 283 CD1 ILE A 20 15.977 -3.173 4.100 1.00 64.21 C ATOM 0 H ILE A 20 15.278 -6.431 5.143 1.00 30.40 H new ATOM 0 HA ILE A 20 16.873 -5.460 3.135 1.00 44.42 H new ATOM 0 HB ILE A 20 17.431 -5.576 6.129 1.00 2.11 H new ATOM 0 HG12 ILE A 20 15.288 -4.535 5.591 1.00 52.20 H new ATOM 0 HG13 ILE A 20 16.432 -3.345 6.178 1.00 52.20 H new ATOM 0 HG21 ILE A 20 18.873 -3.621 5.736 1.00 31.43 H new ATOM 0 HG22 ILE A 20 19.462 -5.057 4.866 1.00 31.43 H new ATOM 0 HG23 ILE A 20 18.599 -3.774 3.984 1.00 31.43 H new ATOM 0 HD11 ILE A 20 15.159 -2.475 4.278 1.00 64.21 H new ATOM 0 HD12 ILE A 20 16.884 -2.617 3.861 1.00 64.21 H new ATOM 0 HD13 ILE A 20 15.722 -3.826 3.266 1.00 64.21 H new ATOM 295 N GLY A 21 18.358 -7.882 4.849 1.00 22.54 N ATOM 296 CA GLY A 21 19.444 -8.842 4.788 1.00 44.04 C ATOM 297 C GLY A 21 19.389 -9.700 3.540 1.00 53.33 C ATOM 298 O GLY A 21 20.414 -10.204 3.078 1.00 64.43 O ATOM 0 H GLY A 21 17.753 -7.970 5.666 1.00 22.54 H new ATOM 0 HA2 GLY A 21 20.396 -8.312 4.819 1.00 44.04 H new ATOM 0 HA3 GLY A 21 19.408 -9.484 5.668 1.00 44.04 H new ATOM 302 N LEU A 22 18.191 -9.870 2.992 1.00 15.25 N ATOM 303 CA LEU A 22 18.006 -10.677 1.790 1.00 52.43 C ATOM 304 C LEU A 22 18.529 -9.944 0.558 1.00 55.44 C ATOM 305 O LEU A 22 19.283 -10.506 -0.235 1.00 50.40 O ATOM 306 CB LEU A 22 16.526 -11.018 1.605 1.00 21.11 C ATOM 307 CG LEU A 22 16.139 -12.477 1.848 1.00 70.30 C ATOM 308 CD1 LEU A 22 14.628 -12.619 1.948 1.00 35.13 C ATOM 309 CD2 LEU A 22 16.687 -13.366 0.741 1.00 11.34 C ATOM 0 H LEU A 22 17.333 -9.460 3.361 1.00 15.25 H new ATOM 0 HA LEU A 22 18.573 -11.600 1.909 1.00 52.43 H new ATOM 0 HB2 LEU A 22 15.942 -10.391 2.279 1.00 21.11 H new ATOM 0 HB3 LEU A 22 16.236 -10.750 0.589 1.00 21.11 H new ATOM 0 HG LEU A 22 16.577 -12.796 2.794 1.00 70.30 H new ATOM 0 HD11 LEU A 22 14.371 -13.664 2.121 1.00 35.13 H new ATOM 0 HD12 LEU A 22 14.260 -12.013 2.776 1.00 35.13 H new ATOM 0 HD13 LEU A 22 14.169 -12.282 1.019 1.00 35.13 H new ATOM 0 HD21 LEU A 22 16.402 -14.401 0.931 1.00 11.34 H new ATOM 0 HD22 LEU A 22 16.278 -13.047 -0.218 1.00 11.34 H new ATOM 0 HD23 LEU A 22 17.774 -13.288 0.716 1.00 11.34 H new ATOM 321 N MET A 23 18.124 -8.687 0.407 1.00 71.42 N ATOM 322 CA MET A 23 18.555 -7.878 -0.727 1.00 34.30 C ATOM 323 C MET A 23 20.020 -7.478 -0.583 1.00 73.54 C ATOM 324 O MET A 23 20.824 -7.690 -1.492 1.00 1.21 O ATOM 325 CB MET A 23 17.682 -6.627 -0.848 1.00 74.21 C ATOM 326 CG MET A 23 16.218 -6.874 -0.523 1.00 4.22 C ATOM 327 SD MET A 23 15.145 -5.543 -1.096 1.00 2.32 S ATOM 328 CE MET A 23 15.372 -5.665 -2.868 1.00 22.53 C ATOM 0 H MET A 23 17.499 -8.207 1.055 1.00 71.42 H new ATOM 0 HA MET A 23 18.447 -8.477 -1.631 1.00 34.30 H new ATOM 0 HB2 MET A 23 18.069 -5.858 -0.180 1.00 74.21 H new ATOM 0 HB3 MET A 23 17.760 -6.237 -1.863 1.00 74.21 H new ATOM 0 HG2 MET A 23 15.902 -7.812 -0.979 1.00 4.22 H new ATOM 0 HG3 MET A 23 16.104 -6.989 0.555 1.00 4.22 H new ATOM 0 HE1 MET A 23 15.062 -4.732 -3.340 1.00 22.53 H new ATOM 0 HE2 MET A 23 16.423 -5.851 -3.088 1.00 22.53 H new ATOM 0 HE3 MET A 23 14.769 -6.486 -3.256 1.00 22.53 H new ATOM 338 N VAL A 24 20.361 -6.898 0.563 1.00 51.45 N ATOM 339 CA VAL A 24 21.729 -6.469 0.825 1.00 14.03 C ATOM 340 C VAL A 24 22.690 -7.654 0.809 1.00 22.43 C ATOM 341 O VAL A 24 23.715 -7.626 0.130 1.00 71.34 O ATOM 342 CB VAL A 24 21.843 -5.750 2.182 1.00 53.33 C ATOM 343 CG1 VAL A 24 23.274 -5.297 2.430 1.00 61.54 C ATOM 344 CG2 VAL A 24 20.883 -4.570 2.241 1.00 2.15 C ATOM 0 H VAL A 24 19.708 -6.714 1.325 1.00 51.45 H new ATOM 0 HA VAL A 24 21.999 -5.774 0.030 1.00 14.03 H new ATOM 0 HB VAL A 24 21.570 -6.452 2.969 1.00 53.33 H new ATOM 0 HG11 VAL A 24 23.334 -4.791 3.394 1.00 61.54 H new ATOM 0 HG12 VAL A 24 23.935 -6.164 2.434 1.00 61.54 H new ATOM 0 HG13 VAL A 24 23.580 -4.611 1.641 1.00 61.54 H new ATOM 0 HG21 VAL A 24 20.976 -4.073 3.207 1.00 2.15 H new ATOM 0 HG22 VAL A 24 21.124 -3.865 1.445 1.00 2.15 H new ATOM 0 HG23 VAL A 24 19.861 -4.926 2.113 1.00 2.15 H new ATOM 354 N GLY A 25 22.349 -8.696 1.561 1.00 44.21 N ATOM 355 CA GLY A 25 23.190 -9.876 1.618 1.00 65.53 C ATOM 356 C GLY A 25 23.334 -10.552 0.270 1.00 70.22 C ATOM 357 O GLY A 25 24.439 -10.900 -0.144 1.00 53.54 O ATOM 0 H GLY A 25 21.505 -8.743 2.132 1.00 44.21 H new ATOM 0 HA2 GLY A 25 24.177 -9.597 1.988 1.00 65.53 H new ATOM 0 HA3 GLY A 25 22.770 -10.584 2.333 1.00 65.53 H new ATOM 361 N GLY A 26 22.212 -10.741 -0.419 1.00 54.21 N ATOM 362 CA GLY A 26 22.239 -11.381 -1.721 1.00 74.34 C ATOM 363 C GLY A 26 23.188 -10.696 -2.684 1.00 71.24 C ATOM 364 O GLY A 26 23.919 -11.357 -3.423 1.00 23.22 O ATOM 0 H GLY A 26 21.285 -10.462 -0.098 1.00 54.21 H new ATOM 0 HA2 GLY A 26 22.535 -12.424 -1.604 1.00 74.34 H new ATOM 0 HA3 GLY A 26 21.234 -11.380 -2.144 1.00 74.34 H new ATOM 368 N VAL A 27 23.176 -9.367 -2.679 1.00 63.41 N ATOM 369 CA VAL A 27 24.042 -8.592 -3.560 1.00 52.04 C ATOM 370 C VAL A 27 25.501 -8.702 -3.133 1.00 11.22 C ATOM 371 O VAL A 27 26.395 -8.840 -3.968 1.00 74.34 O ATOM 372 CB VAL A 27 23.636 -7.105 -3.580 1.00 40.03 C ATOM 373 CG1 VAL A 27 24.571 -6.309 -4.476 1.00 65.31 C ATOM 374 CG2 VAL A 27 22.192 -6.954 -4.033 1.00 61.31 C ATOM 0 H VAL A 27 22.577 -8.805 -2.075 1.00 63.41 H new ATOM 0 HA VAL A 27 23.927 -9.007 -4.561 1.00 52.04 H new ATOM 0 HB VAL A 27 23.718 -6.709 -2.568 1.00 40.03 H new ATOM 0 HG11 VAL A 27 24.269 -5.262 -4.478 1.00 65.31 H new ATOM 0 HG12 VAL A 27 25.591 -6.392 -4.102 1.00 65.31 H new ATOM 0 HG13 VAL A 27 24.524 -6.702 -5.492 1.00 65.31 H new ATOM 0 HG21 VAL A 27 21.922 -5.898 -4.041 1.00 61.31 H new ATOM 0 HG22 VAL A 27 22.081 -7.365 -5.036 1.00 61.31 H new ATOM 0 HG23 VAL A 27 21.537 -7.491 -3.346 1.00 61.31 H new ATOM 384 N VAL A 28 25.736 -8.642 -1.826 1.00 74.11 N ATOM 385 CA VAL A 28 27.087 -8.738 -1.286 1.00 14.13 C ATOM 386 C VAL A 28 27.694 -10.108 -1.565 1.00 43.43 C ATOM 387 O VAL A 28 28.732 -10.218 -2.217 1.00 21.32 O ATOM 388 CB VAL A 28 27.105 -8.479 0.232 1.00 1.13 C ATOM 389 CG1 VAL A 28 28.516 -8.619 0.781 1.00 52.33 C ATOM 390 CG2 VAL A 28 26.536 -7.104 0.544 1.00 14.12 C ATOM 0 H VAL A 28 25.008 -8.527 -1.121 1.00 74.11 H new ATOM 0 HA VAL A 28 27.682 -7.972 -1.784 1.00 14.13 H new ATOM 0 HB VAL A 28 26.477 -9.225 0.718 1.00 1.13 H new ATOM 0 HG11 VAL A 28 28.509 -8.432 1.855 1.00 52.33 H new ATOM 0 HG12 VAL A 28 28.882 -9.628 0.590 1.00 52.33 H new ATOM 0 HG13 VAL A 28 29.170 -7.897 0.292 1.00 52.33 H new ATOM 0 HG21 VAL A 28 26.556 -6.938 1.621 1.00 14.12 H new ATOM 0 HG22 VAL A 28 27.136 -6.341 0.048 1.00 14.12 H new ATOM 0 HG23 VAL A 28 25.508 -7.046 0.187 1.00 14.12 H new ATOM 400 N ILE A 29 27.039 -11.151 -1.067 1.00 31.43 N ATOM 401 CA ILE A 29 27.513 -12.516 -1.262 1.00 40.45 C ATOM 402 C ILE A 29 27.783 -12.797 -2.737 1.00 14.33 C ATOM 403 O ILE A 29 28.840 -13.316 -3.098 1.00 13.41 O ATOM 404 CB ILE A 29 26.499 -13.546 -0.732 1.00 22.32 C ATOM 405 CG1 ILE A 29 26.245 -13.323 0.760 1.00 13.41 C ATOM 406 CG2 ILE A 29 27.001 -14.960 -0.984 1.00 63.04 C ATOM 407 CD1 ILE A 29 27.467 -13.552 1.622 1.00 62.43 C ATOM 0 H ILE A 29 26.178 -11.077 -0.525 1.00 31.43 H new ATOM 0 HA ILE A 29 28.442 -12.611 -0.699 1.00 40.45 H new ATOM 0 HB ILE A 29 25.557 -13.415 -1.265 1.00 22.32 H new ATOM 0 HG12 ILE A 29 25.889 -12.304 0.911 1.00 13.41 H new ATOM 0 HG13 ILE A 29 25.448 -13.991 1.088 1.00 13.41 H new ATOM 0 HG21 ILE A 29 26.274 -15.677 -0.604 1.00 63.04 H new ATOM 0 HG22 ILE A 29 27.136 -15.113 -2.055 1.00 63.04 H new ATOM 0 HG23 ILE A 29 27.953 -15.104 -0.474 1.00 63.04 H new ATOM 0 HD11 ILE A 29 27.213 -13.376 2.667 1.00 62.43 H new ATOM 0 HD12 ILE A 29 27.811 -14.579 1.500 1.00 62.43 H new ATOM 0 HD13 ILE A 29 28.259 -12.866 1.320 1.00 62.43 H new ATOM 419 N ALA A 30 26.821 -12.450 -3.586 1.00 2.53 N ATOM 420 CA ALA A 30 26.957 -12.661 -5.021 1.00 20.44 C ATOM 421 C ALA A 30 28.266 -12.078 -5.541 1.00 61.53 C ATOM 422 O ALA A 30 29.042 -12.765 -6.208 1.00 22.11 O ATOM 423 CB ALA A 30 25.775 -12.049 -5.758 1.00 1.24 C ATOM 0 H ALA A 30 25.939 -12.022 -3.304 1.00 2.53 H new ATOM 0 HA ALA A 30 26.970 -13.735 -5.205 1.00 20.44 H new ATOM 0 HB1 ALA A 30 25.889 -12.214 -6.829 1.00 1.24 H new ATOM 0 HB2 ALA A 30 24.851 -12.516 -5.416 1.00 1.24 H new ATOM 0 HB3 ALA A 30 25.736 -10.978 -5.558 1.00 1.24 H new ATOM 429 N THR A 31 28.508 -10.808 -5.232 1.00 63.13 N ATOM 430 CA THR A 31 29.722 -10.133 -5.670 1.00 61.04 C ATOM 431 C THR A 31 30.963 -10.803 -5.091 1.00 61.13 C ATOM 432 O THR A 31 31.961 -10.991 -5.786 1.00 5.41 O ATOM 433 CB THR A 31 29.718 -8.647 -5.262 1.00 40.33 C ATOM 434 OG1 THR A 31 28.456 -8.054 -5.589 1.00 32.33 O ATOM 435 CG2 THR A 31 30.836 -7.890 -5.961 1.00 65.53 C ATOM 0 H THR A 31 27.878 -10.226 -4.679 1.00 63.13 H new ATOM 0 HA THR A 31 29.747 -10.204 -6.757 1.00 61.04 H new ATOM 0 HB THR A 31 29.880 -8.588 -4.186 1.00 40.33 H new ATOM 0 HG1 THR A 31 27.795 -8.293 -4.906 1.00 32.33 H new ATOM 0 HG21 THR A 31 30.812 -6.844 -5.657 1.00 65.53 H new ATOM 0 HG22 THR A 31 31.797 -8.326 -5.687 1.00 65.53 H new ATOM 0 HG23 THR A 31 30.701 -7.957 -7.041 1.00 65.53 H new ATOM 443 N VAL A 32 30.894 -11.162 -3.813 1.00 63.42 N ATOM 444 CA VAL A 32 32.011 -11.814 -3.141 1.00 5.54 C ATOM 445 C VAL A 32 32.501 -13.020 -3.933 1.00 54.05 C ATOM 446 O VAL A 32 33.693 -13.146 -4.216 1.00 5.41 O ATOM 447 CB VAL A 32 31.623 -12.269 -1.721 1.00 73.24 C ATOM 448 CG1 VAL A 32 32.790 -12.977 -1.050 1.00 21.44 C ATOM 449 CG2 VAL A 32 31.160 -11.083 -0.889 1.00 21.44 C ATOM 0 H VAL A 32 30.076 -11.012 -3.222 1.00 63.42 H new ATOM 0 HA VAL A 32 32.812 -11.078 -3.073 1.00 5.54 H new ATOM 0 HB VAL A 32 30.796 -12.975 -1.798 1.00 73.24 H new ATOM 0 HG11 VAL A 32 32.498 -13.291 -0.048 1.00 21.44 H new ATOM 0 HG12 VAL A 32 33.071 -13.851 -1.637 1.00 21.44 H new ATOM 0 HG13 VAL A 32 33.639 -12.296 -0.983 1.00 21.44 H new ATOM 0 HG21 VAL A 32 30.890 -11.423 0.111 1.00 21.44 H new ATOM 0 HG22 VAL A 32 31.965 -10.352 -0.818 1.00 21.44 H new ATOM 0 HG23 VAL A 32 30.293 -10.623 -1.362 1.00 21.44 H new ATOM 459 N ILE A 33 31.575 -13.904 -4.289 1.00 72.13 N ATOM 460 CA ILE A 33 31.914 -15.100 -5.051 1.00 54.42 C ATOM 461 C ILE A 33 32.506 -14.738 -6.408 1.00 4.00 C ATOM 462 O ILE A 33 33.538 -15.277 -6.811 1.00 21.31 O ATOM 463 CB ILE A 33 30.682 -15.999 -5.264 1.00 52.12 C ATOM 464 CG1 ILE A 33 30.020 -16.321 -3.922 1.00 21.12 C ATOM 465 CG2 ILE A 33 31.078 -17.278 -5.986 1.00 62.10 C ATOM 466 CD1 ILE A 33 30.909 -17.107 -2.983 1.00 11.23 C ATOM 0 H ILE A 33 30.585 -13.815 -4.062 1.00 72.13 H new ATOM 0 HA ILE A 33 32.656 -15.646 -4.468 1.00 54.42 H new ATOM 0 HB ILE A 33 29.962 -15.463 -5.883 1.00 52.12 H new ATOM 0 HG12 ILE A 33 29.727 -15.389 -3.438 1.00 21.12 H new ATOM 0 HG13 ILE A 33 29.106 -16.887 -4.103 1.00 21.12 H new ATOM 0 HG21 ILE A 33 30.196 -17.903 -6.129 1.00 62.10 H new ATOM 0 HG22 ILE A 33 31.508 -17.030 -6.956 1.00 62.10 H new ATOM 0 HG23 ILE A 33 31.813 -17.819 -5.391 1.00 62.10 H new ATOM 0 HD11 ILE A 33 30.375 -17.299 -2.052 1.00 11.23 H new ATOM 0 HD12 ILE A 33 31.181 -18.055 -3.448 1.00 11.23 H new ATOM 0 HD13 ILE A 33 31.812 -16.534 -2.772 1.00 11.23 H new ATOM 478 N VAL A 34 31.848 -13.820 -7.108 1.00 14.21 N ATOM 479 CA VAL A 34 32.310 -13.383 -8.421 1.00 63.22 C ATOM 480 C VAL A 34 33.774 -12.954 -8.373 1.00 1.31 C ATOM 481 O VAL A 34 34.603 -13.457 -9.132 1.00 61.34 O ATOM 482 CB VAL A 34 31.462 -12.213 -8.954 1.00 45.31 C ATOM 483 CG1 VAL A 34 31.912 -11.821 -10.353 1.00 71.33 C ATOM 484 CG2 VAL A 34 29.985 -12.580 -8.943 1.00 44.42 C ATOM 0 H VAL A 34 30.993 -13.364 -6.788 1.00 14.21 H new ATOM 0 HA VAL A 34 32.204 -14.234 -9.093 1.00 63.22 H new ATOM 0 HB VAL A 34 31.605 -11.354 -8.299 1.00 45.31 H new ATOM 0 HG11 VAL A 34 31.301 -10.993 -10.713 1.00 71.33 H new ATOM 0 HG12 VAL A 34 32.958 -11.516 -10.327 1.00 71.33 H new ATOM 0 HG13 VAL A 34 31.799 -12.673 -11.023 1.00 71.33 H new ATOM 0 HG21 VAL A 34 29.399 -11.743 -9.322 1.00 44.42 H new ATOM 0 HG22 VAL A 34 29.822 -13.453 -9.575 1.00 44.42 H new ATOM 0 HG23 VAL A 34 29.674 -12.808 -7.923 1.00 44.42 H new ATOM 494 N ILE A 35 34.082 -12.024 -7.476 1.00 52.04 N ATOM 495 CA ILE A 35 35.445 -11.529 -7.328 1.00 3.11 C ATOM 496 C ILE A 35 36.406 -12.660 -6.977 1.00 22.43 C ATOM 497 O ILE A 35 37.561 -12.664 -7.401 1.00 24.13 O ATOM 498 CB ILE A 35 35.534 -10.439 -6.243 1.00 71.33 C ATOM 499 CG1 ILE A 35 34.612 -9.267 -6.590 1.00 54.20 C ATOM 500 CG2 ILE A 35 36.970 -9.962 -6.088 1.00 4.32 C ATOM 501 CD1 ILE A 35 34.389 -8.314 -5.438 1.00 4.51 C ATOM 0 H ILE A 35 33.407 -11.598 -6.841 1.00 52.04 H new ATOM 0 HA ILE A 35 35.730 -11.098 -8.288 1.00 3.11 H new ATOM 0 HB ILE A 35 35.209 -10.864 -5.294 1.00 71.33 H new ATOM 0 HG12 ILE A 35 35.037 -8.717 -7.429 1.00 54.20 H new ATOM 0 HG13 ILE A 35 33.649 -9.658 -6.920 1.00 54.20 H new ATOM 0 HG21 ILE A 35 37.017 -9.192 -5.318 1.00 4.32 H new ATOM 0 HG22 ILE A 35 37.603 -10.801 -5.801 1.00 4.32 H new ATOM 0 HG23 ILE A 35 37.321 -9.550 -7.034 1.00 4.32 H new ATOM 0 HD11 ILE A 35 33.727 -7.509 -5.755 1.00 4.51 H new ATOM 0 HD12 ILE A 35 33.935 -8.850 -4.605 1.00 4.51 H new ATOM 0 HD13 ILE A 35 35.344 -7.895 -5.122 1.00 4.51 H new ATOM 513 N THR A 36 35.919 -13.622 -6.198 1.00 23.30 N ATOM 514 CA THR A 36 36.734 -14.759 -5.789 1.00 12.33 C ATOM 515 C THR A 36 37.128 -15.612 -6.990 1.00 64.40 C ATOM 516 O THR A 36 38.269 -16.065 -7.093 1.00 3.32 O ATOM 517 CB THR A 36 35.992 -15.642 -4.768 1.00 2.02 C ATOM 518 OG1 THR A 36 35.678 -14.879 -3.597 1.00 42.24 O ATOM 519 CG2 THR A 36 36.836 -16.848 -4.382 1.00 24.42 C ATOM 0 H THR A 36 34.965 -13.636 -5.838 1.00 23.30 H new ATOM 0 HA THR A 36 37.633 -14.354 -5.323 1.00 12.33 H new ATOM 0 HB THR A 36 35.070 -15.996 -5.229 1.00 2.02 H new ATOM 0 HG1 THR A 36 34.880 -14.336 -3.765 1.00 42.24 H new ATOM 0 HG21 THR A 36 36.292 -17.457 -3.660 1.00 24.42 H new ATOM 0 HG22 THR A 36 37.049 -17.442 -5.271 1.00 24.42 H new ATOM 0 HG23 THR A 36 37.772 -16.510 -3.938 1.00 24.42 H new ATOM 527 N LEU A 37 36.180 -15.827 -7.895 1.00 64.30 N ATOM 528 CA LEU A 37 36.429 -16.625 -9.089 1.00 12.02 C ATOM 529 C LEU A 37 37.420 -15.926 -10.015 1.00 42.22 C ATOM 530 O LEU A 37 38.408 -16.521 -10.446 1.00 14.21 O ATOM 531 CB LEU A 37 35.119 -16.890 -9.833 1.00 4.41 C ATOM 532 CG LEU A 37 34.962 -18.284 -10.442 1.00 24.51 C ATOM 533 CD1 LEU A 37 33.501 -18.705 -10.441 1.00 52.32 C ATOM 534 CD2 LEU A 37 35.526 -18.314 -11.855 1.00 32.01 C ATOM 0 H LEU A 37 35.231 -15.459 -7.824 1.00 64.30 H new ATOM 0 HA LEU A 37 36.860 -17.576 -8.776 1.00 12.02 H new ATOM 0 HB2 LEU A 37 34.292 -16.722 -9.143 1.00 4.41 H new ATOM 0 HB3 LEU A 37 35.023 -16.154 -10.631 1.00 4.41 H new ATOM 0 HG LEU A 37 35.523 -18.992 -9.832 1.00 24.51 H new ATOM 0 HD11 LEU A 37 33.409 -19.699 -10.878 1.00 52.32 H new ATOM 0 HD12 LEU A 37 33.128 -18.723 -9.417 1.00 52.32 H new ATOM 0 HD13 LEU A 37 32.917 -17.995 -11.027 1.00 52.32 H new ATOM 0 HD21 LEU A 37 35.406 -19.313 -12.273 1.00 32.01 H new ATOM 0 HD22 LEU A 37 34.992 -17.594 -12.475 1.00 32.01 H new ATOM 0 HD23 LEU A 37 36.585 -18.056 -11.830 1.00 32.01 H new ATOM 546 N VAL A 38 37.150 -14.660 -10.314 1.00 12.50 N ATOM 547 CA VAL A 38 38.020 -13.878 -11.184 1.00 14.13 C ATOM 548 C VAL A 38 39.440 -13.817 -10.632 1.00 43.02 C ATOM 549 O VAL A 38 40.411 -13.967 -11.372 1.00 4.42 O ATOM 550 CB VAL A 38 37.490 -12.443 -11.365 1.00 63.23 C ATOM 551 CG1 VAL A 38 38.298 -11.705 -12.421 1.00 52.42 C ATOM 552 CG2 VAL A 38 36.013 -12.464 -11.730 1.00 72.31 C ATOM 0 H VAL A 38 36.336 -14.154 -9.967 1.00 12.50 H new ATOM 0 HA VAL A 38 38.031 -14.379 -12.152 1.00 14.13 H new ATOM 0 HB VAL A 38 37.600 -11.911 -10.420 1.00 63.23 H new ATOM 0 HG11 VAL A 38 37.909 -10.693 -12.535 1.00 52.42 H new ATOM 0 HG12 VAL A 38 39.343 -11.660 -12.114 1.00 52.42 H new ATOM 0 HG13 VAL A 38 38.222 -12.232 -13.372 1.00 52.42 H new ATOM 0 HG21 VAL A 38 35.654 -11.442 -11.854 1.00 72.31 H new ATOM 0 HG22 VAL A 38 35.876 -13.012 -12.662 1.00 72.31 H new ATOM 0 HG23 VAL A 38 35.449 -12.952 -10.936 1.00 72.31 H new ATOM 562 N MET A 39 39.552 -13.595 -9.327 1.00 61.25 N ATOM 563 CA MET A 39 40.854 -13.518 -8.675 1.00 21.03 C ATOM 564 C MET A 39 41.580 -14.857 -8.746 1.00 45.04 C ATOM 565 O MET A 39 42.791 -14.907 -8.967 1.00 22.32 O ATOM 566 CB MET A 39 40.693 -13.088 -7.214 1.00 2.21 C ATOM 567 CG MET A 39 40.623 -11.582 -7.027 1.00 10.01 C ATOM 568 SD MET A 39 42.242 -10.794 -7.137 1.00 64.42 S ATOM 569 CE MET A 39 42.740 -10.803 -5.417 1.00 13.41 C ATOM 0 H MET A 39 38.758 -13.465 -8.700 1.00 61.25 H new ATOM 0 HA MET A 39 41.451 -12.774 -9.202 1.00 21.03 H new ATOM 0 HB2 MET A 39 39.787 -13.538 -6.809 1.00 2.21 H new ATOM 0 HB3 MET A 39 41.529 -13.479 -6.635 1.00 2.21 H new ATOM 0 HG2 MET A 39 39.963 -11.156 -7.783 1.00 10.01 H new ATOM 0 HG3 MET A 39 40.180 -11.360 -6.056 1.00 10.01 H new ATOM 0 HE1 MET A 39 43.725 -10.347 -5.321 1.00 13.41 H new ATOM 0 HE2 MET A 39 42.019 -10.237 -4.827 1.00 13.41 H new ATOM 0 HE3 MET A 39 42.779 -11.830 -5.055 1.00 13.41 H new ATOM 579 N LEU A 40 40.834 -15.940 -8.558 1.00 32.34 N ATOM 580 CA LEU A 40 41.407 -17.280 -8.600 1.00 63.45 C ATOM 581 C LEU A 40 42.020 -17.567 -9.968 1.00 3.35 C ATOM 582 O LEU A 40 43.049 -18.235 -10.071 1.00 22.51 O ATOM 583 CB LEU A 40 40.336 -18.325 -8.280 1.00 12.50 C ATOM 584 CG LEU A 40 40.679 -19.770 -8.642 1.00 51.42 C ATOM 585 CD1 LEU A 40 42.022 -20.164 -8.051 1.00 44.13 C ATOM 586 CD2 LEU A 40 39.584 -20.713 -8.163 1.00 71.23 C ATOM 0 H LEU A 40 39.831 -15.916 -8.375 1.00 32.34 H new ATOM 0 HA LEU A 40 42.195 -17.335 -7.849 1.00 63.45 H new ATOM 0 HB2 LEU A 40 40.121 -18.280 -7.212 1.00 12.50 H new ATOM 0 HB3 LEU A 40 39.420 -18.049 -8.802 1.00 12.50 H new ATOM 0 HG LEU A 40 40.748 -19.847 -9.727 1.00 51.42 H new ATOM 0 HD11 LEU A 40 42.249 -21.196 -8.319 1.00 44.13 H new ATOM 0 HD12 LEU A 40 42.799 -19.508 -8.443 1.00 44.13 H new ATOM 0 HD13 LEU A 40 41.983 -20.072 -6.966 1.00 44.13 H new ATOM 0 HD21 LEU A 40 39.844 -21.738 -8.429 1.00 71.23 H new ATOM 0 HD22 LEU A 40 39.483 -20.633 -7.081 1.00 71.23 H new ATOM 0 HD23 LEU A 40 38.640 -20.444 -8.636 1.00 71.23 H new ATOM 598 N LYS A 41 41.382 -17.057 -11.015 1.00 21.33 N ATOM 599 CA LYS A 41 41.865 -17.254 -12.377 1.00 43.51 C ATOM 600 C LYS A 41 42.948 -16.237 -12.722 1.00 52.01 C ATOM 601 O LYS A 41 43.840 -16.513 -13.526 1.00 71.12 O ATOM 602 CB LYS A 41 40.707 -17.141 -13.371 1.00 53.23 C ATOM 603 CG LYS A 41 39.727 -18.298 -13.298 1.00 12.31 C ATOM 604 CD LYS A 41 38.764 -18.288 -14.474 1.00 0.25 C ATOM 605 CE LYS A 41 38.410 -19.701 -14.915 1.00 15.01 C ATOM 606 NZ LYS A 41 39.437 -20.269 -15.832 1.00 0.01 N1+ ATOM 0 H LYS A 41 40.528 -16.503 -10.947 1.00 21.33 H new ATOM 0 HA LYS A 41 42.296 -18.253 -12.443 1.00 43.51 H new ATOM 0 HB2 LYS A 41 40.171 -16.210 -13.187 1.00 53.23 H new ATOM 0 HB3 LYS A 41 41.111 -17.082 -14.382 1.00 53.23 H new ATOM 0 HG2 LYS A 41 40.275 -19.240 -13.283 1.00 12.31 H new ATOM 0 HG3 LYS A 41 39.165 -18.242 -12.366 1.00 12.31 H new ATOM 0 HD2 LYS A 41 37.855 -17.753 -14.197 1.00 0.25 H new ATOM 0 HD3 LYS A 41 39.211 -17.746 -15.308 1.00 0.25 H new ATOM 0 HE2 LYS A 41 38.312 -20.341 -14.038 1.00 15.01 H new ATOM 0 HE3 LYS A 41 37.441 -19.694 -15.414 1.00 15.01 H new ATOM 0 HZ1 LYS A 41 39.160 -21.232 -16.110 1.00 0.01 H new ATOM 0 HZ2 LYS A 41 39.513 -19.672 -16.680 1.00 0.01 H new ATOM 0 HZ3 LYS A 41 40.356 -20.300 -15.347 1.00 0.01 H new ATOM 620 N LYS A 42 42.866 -15.061 -12.110 1.00 51.20 N ATOM 621 CA LYS A 42 43.839 -14.003 -12.351 1.00 63.05 C ATOM 622 C LYS A 42 45.223 -14.414 -11.855 1.00 75.13 C ATOM 623 O LYS A 42 46.206 -14.336 -12.591 1.00 11.34 O ATOM 624 CB LYS A 42 43.401 -12.711 -11.658 1.00 73.31 C ATOM 625 CG LYS A 42 44.412 -11.584 -11.778 1.00 3.55 C ATOM 626 CD LYS A 42 43.799 -10.350 -12.417 1.00 52.11 C ATOM 627 CE LYS A 42 44.761 -9.172 -12.392 1.00 52.23 C ATOM 628 NZ LYS A 42 44.603 -8.352 -11.159 1.00 52.20 N1+ ATOM 0 H LYS A 42 42.135 -14.816 -11.442 1.00 51.20 H new ATOM 0 HA LYS A 42 43.893 -13.831 -13.426 1.00 63.05 H new ATOM 0 HB2 LYS A 42 42.452 -12.384 -12.084 1.00 73.31 H new ATOM 0 HB3 LYS A 42 43.223 -12.917 -10.603 1.00 73.31 H new ATOM 0 HG2 LYS A 42 44.795 -11.331 -10.789 1.00 3.55 H new ATOM 0 HG3 LYS A 42 45.262 -11.918 -12.373 1.00 3.55 H new ATOM 0 HD2 LYS A 42 43.522 -10.572 -13.447 1.00 52.11 H new ATOM 0 HD3 LYS A 42 42.883 -10.084 -11.890 1.00 52.11 H new ATOM 0 HE2 LYS A 42 45.786 -9.539 -12.455 1.00 52.23 H new ATOM 0 HE3 LYS A 42 44.592 -8.546 -13.268 1.00 52.23 H new ATOM 0 HZ1 LYS A 42 45.276 -7.560 -11.180 1.00 52.20 H new ATOM 0 HZ2 LYS A 42 43.633 -7.981 -11.111 1.00 52.20 H new ATOM 0 HZ3 LYS A 42 44.790 -8.942 -10.323 1.00 52.20 H new ATOM 642 N LYS A 43 45.291 -14.853 -10.603 1.00 65.22 N ATOM 643 CA LYS A 43 46.553 -15.279 -10.010 1.00 71.00 C ATOM 644 C LYS A 43 46.998 -16.620 -10.584 1.00 0.54 C ATOM 645 O LYS A 43 47.850 -16.641 -11.471 1.00 31.10 O ATOM 646 CB LYS A 43 46.415 -15.385 -8.489 1.00 34.12 C ATOM 647 CG LYS A 43 47.499 -14.646 -7.726 1.00 32.44 C ATOM 648 CD LYS A 43 47.382 -13.142 -7.906 1.00 72.23 C ATOM 649 CE LYS A 43 47.195 -12.434 -6.573 1.00 55.42 C ATOM 650 NZ LYS A 43 46.678 -11.047 -6.749 1.00 35.41 N1+ ATOM 0 H LYS A 43 44.487 -14.923 -9.979 1.00 65.22 H new ATOM 0 HA LYS A 43 47.309 -14.531 -10.250 1.00 71.00 H new ATOM 0 HB2 LYS A 43 45.442 -14.992 -8.193 1.00 34.12 H new ATOM 0 HB3 LYS A 43 46.434 -16.437 -8.204 1.00 34.12 H new ATOM 0 HG2 LYS A 43 47.432 -14.893 -6.666 1.00 32.44 H new ATOM 0 HG3 LYS A 43 48.478 -14.979 -8.069 1.00 32.44 H new ATOM 0 HD2 LYS A 43 48.278 -12.763 -8.398 1.00 72.23 H new ATOM 0 HD3 LYS A 43 46.539 -12.917 -8.560 1.00 72.23 H new ATOM 0 HE2 LYS A 43 46.503 -13.004 -5.953 1.00 55.42 H new ATOM 0 HE3 LYS A 43 48.146 -12.402 -6.042 1.00 55.42 H new ATOM 0 HZ1 LYS A 43 46.564 -10.598 -5.818 1.00 35.41 H new ATOM 0 HZ2 LYS A 43 47.351 -10.496 -7.319 1.00 35.41 H new ATOM 0 HZ3 LYS A 43 45.758 -11.078 -7.233 1.00 35.41 H new TER 664 LYS A 43 ATOM 665 N GLY B 1 8.458 2.754 7.814 1.00 53.22 N ATOM 666 CA GLY B 1 7.128 2.788 7.233 1.00 45.42 C ATOM 667 C GLY B 1 6.558 4.190 7.170 1.00 11.40 C ATOM 668 O GLY B 1 5.943 4.662 8.126 1.00 20.32 O ATOM 0 H1 GLY B 1 8.803 1.773 7.834 1.00 53.22 H new ATOM 0 H2 GLY B 1 9.102 3.336 7.241 1.00 53.22 H new ATOM 0 H3 GLY B 1 8.423 3.129 8.783 1.00 53.22 H new ATOM 0 HA2 GLY B 1 7.163 2.368 6.228 1.00 45.42 H new ATOM 0 HA3 GLY B 1 6.462 2.155 7.820 1.00 45.42 H new ATOM 672 N SER B 2 6.764 4.860 6.040 1.00 72.12 N ATOM 673 CA SER B 2 6.270 6.220 5.857 1.00 41.31 C ATOM 674 C SER B 2 5.243 6.279 4.730 1.00 35.14 C ATOM 675 O SER B 2 5.309 5.505 3.776 1.00 22.20 O ATOM 676 CB SER B 2 7.431 7.170 5.555 1.00 64.41 C ATOM 677 OG SER B 2 8.582 6.454 5.142 1.00 51.02 O ATOM 0 H SER B 2 7.269 4.483 5.238 1.00 72.12 H new ATOM 0 HA SER B 2 5.785 6.532 6.782 1.00 41.31 H new ATOM 0 HB2 SER B 2 7.137 7.872 4.775 1.00 64.41 H new ATOM 0 HB3 SER B 2 7.664 7.758 6.443 1.00 64.41 H new ATOM 0 HG SER B 2 9.309 7.084 4.953 1.00 51.02 H new ATOM 683 N GLN B 3 4.295 7.202 4.851 1.00 42.32 N ATOM 684 CA GLN B 3 3.253 7.362 3.842 1.00 54.12 C ATOM 685 C GLN B 3 3.858 7.672 2.478 1.00 55.21 C ATOM 686 O GLN B 3 3.323 7.272 1.443 1.00 15.34 O ATOM 687 CB GLN B 3 2.286 8.475 4.250 1.00 34.12 C ATOM 688 CG GLN B 3 0.845 8.204 3.852 1.00 43.54 C ATOM 689 CD GLN B 3 0.136 7.280 4.822 1.00 71.33 C ATOM 690 OE1 GLN B 3 -0.444 7.728 5.812 1.00 74.31 O ATOM 691 NE2 GLN B 3 0.177 5.983 4.543 1.00 35.24 N ATOM 0 H GLN B 3 4.226 7.850 5.636 1.00 42.32 H new ATOM 0 HA GLN B 3 2.705 6.422 3.770 1.00 54.12 H new ATOM 0 HB2 GLN B 3 2.336 8.611 5.330 1.00 34.12 H new ATOM 0 HB3 GLN B 3 2.610 9.411 3.795 1.00 34.12 H new ATOM 0 HG2 GLN B 3 0.304 9.149 3.795 1.00 43.54 H new ATOM 0 HG3 GLN B 3 0.824 7.764 2.855 1.00 43.54 H new ATOM 0 HE21 GLN B 3 0.669 5.655 3.712 1.00 35.24 H new ATOM 0 HE22 GLN B 3 -0.284 5.314 5.160 1.00 35.24 H new ATOM 700 N LYS B 4 4.978 8.388 2.481 1.00 43.11 N ATOM 701 CA LYS B 4 5.659 8.751 1.244 1.00 32.21 C ATOM 702 C LYS B 4 6.018 7.509 0.436 1.00 53.02 C ATOM 703 O LYS B 4 5.897 7.496 -0.790 1.00 40.43 O ATOM 704 CB LYS B 4 6.923 9.557 1.551 1.00 12.53 C ATOM 705 CG LYS B 4 7.370 10.448 0.405 1.00 1.55 C ATOM 706 CD LYS B 4 8.883 10.571 0.351 1.00 35.44 C ATOM 707 CE LYS B 4 9.374 11.766 1.153 1.00 5.21 C ATOM 708 NZ LYS B 4 10.616 12.350 0.575 1.00 4.24 N1+ ATOM 0 H LYS B 4 5.433 8.729 3.328 1.00 43.11 H new ATOM 0 HA LYS B 4 4.980 9.364 0.651 1.00 32.21 H new ATOM 0 HB2 LYS B 4 6.745 10.174 2.432 1.00 12.53 H new ATOM 0 HB3 LYS B 4 7.731 8.869 1.801 1.00 12.53 H new ATOM 0 HG2 LYS B 4 7.003 10.041 -0.537 1.00 1.55 H new ATOM 0 HG3 LYS B 4 6.928 11.438 0.519 1.00 1.55 H new ATOM 0 HD2 LYS B 4 9.337 9.659 0.739 1.00 35.44 H new ATOM 0 HD3 LYS B 4 9.204 10.671 -0.686 1.00 35.44 H new ATOM 0 HE2 LYS B 4 8.595 12.528 1.184 1.00 5.21 H new ATOM 0 HE3 LYS B 4 9.561 11.460 2.182 1.00 5.21 H new ATOM 0 HZ1 LYS B 4 10.918 13.162 1.150 1.00 4.24 H new ATOM 0 HZ2 LYS B 4 11.367 11.631 0.569 1.00 4.24 H new ATOM 0 HZ3 LYS B 4 10.431 12.665 -0.399 1.00 4.24 H new ATOM 722 N LEU B 5 6.462 6.466 1.129 1.00 34.22 N ATOM 723 CA LEU B 5 6.839 5.217 0.475 1.00 23.42 C ATOM 724 C LEU B 5 5.711 4.708 -0.418 1.00 41.44 C ATOM 725 O LEU B 5 5.918 4.434 -1.600 1.00 34.33 O ATOM 726 CB LEU B 5 7.194 4.158 1.521 1.00 43.11 C ATOM 727 CG LEU B 5 8.554 3.480 1.353 1.00 61.22 C ATOM 728 CD1 LEU B 5 8.617 2.728 0.033 1.00 31.04 C ATOM 729 CD2 LEU B 5 9.676 4.505 1.438 1.00 32.43 C ATOM 0 H LEU B 5 6.570 6.460 2.143 1.00 34.22 H new ATOM 0 HA LEU B 5 7.712 5.411 -0.148 1.00 23.42 H new ATOM 0 HB2 LEU B 5 7.161 4.624 2.506 1.00 43.11 H new ATOM 0 HB3 LEU B 5 6.422 3.388 1.507 1.00 43.11 H new ATOM 0 HG LEU B 5 8.682 2.762 2.163 1.00 61.22 H new ATOM 0 HD11 LEU B 5 9.592 2.252 -0.068 1.00 31.04 H new ATOM 0 HD12 LEU B 5 7.838 1.966 0.011 1.00 31.04 H new ATOM 0 HD13 LEU B 5 8.466 3.426 -0.791 1.00 31.04 H new ATOM 0 HD21 LEU B 5 10.636 4.004 1.316 1.00 32.43 H new ATOM 0 HD22 LEU B 5 9.551 5.247 0.650 1.00 32.43 H new ATOM 0 HD23 LEU B 5 9.645 4.999 2.409 1.00 32.43 H new ATOM 741 N VAL B 6 4.518 4.586 0.156 1.00 61.20 N ATOM 742 CA VAL B 6 3.356 4.114 -0.588 1.00 73.22 C ATOM 743 C VAL B 6 3.139 4.941 -1.850 1.00 65.44 C ATOM 744 O VAL B 6 2.754 4.413 -2.893 1.00 21.42 O ATOM 745 CB VAL B 6 2.081 4.163 0.272 1.00 23.24 C ATOM 746 CG1 VAL B 6 0.909 3.542 -0.474 1.00 75.25 C ATOM 747 CG2 VAL B 6 2.308 3.461 1.603 1.00 10.05 C ATOM 0 H VAL B 6 4.331 4.808 1.134 1.00 61.20 H new ATOM 0 HA VAL B 6 3.557 3.079 -0.866 1.00 73.22 H new ATOM 0 HB VAL B 6 1.841 5.207 0.474 1.00 23.24 H new ATOM 0 HG11 VAL B 6 0.016 3.586 0.150 1.00 75.25 H new ATOM 0 HG12 VAL B 6 0.733 4.093 -1.398 1.00 75.25 H new ATOM 0 HG13 VAL B 6 1.137 2.502 -0.709 1.00 75.25 H new ATOM 0 HG21 VAL B 6 1.396 3.506 2.198 1.00 10.05 H new ATOM 0 HG22 VAL B 6 2.574 2.419 1.424 1.00 10.05 H new ATOM 0 HG23 VAL B 6 3.117 3.955 2.141 1.00 10.05 H new ATOM 757 N PHE B 7 3.387 6.243 -1.747 1.00 44.35 N ATOM 758 CA PHE B 7 3.218 7.145 -2.880 1.00 4.41 C ATOM 759 C PHE B 7 4.279 6.886 -3.946 1.00 63.22 C ATOM 760 O PHE B 7 4.017 7.012 -5.142 1.00 2.21 O ATOM 761 CB PHE B 7 3.291 8.601 -2.415 1.00 22.50 C ATOM 762 CG PHE B 7 1.988 9.337 -2.542 1.00 33.23 C ATOM 763 CD1 PHE B 7 0.941 9.074 -1.673 1.00 54.13 C ATOM 764 CD2 PHE B 7 1.810 10.292 -3.531 1.00 35.51 C ATOM 765 CE1 PHE B 7 -0.259 9.750 -1.789 1.00 51.43 C ATOM 766 CE2 PHE B 7 0.611 10.971 -3.650 1.00 14.54 C ATOM 767 CZ PHE B 7 -0.424 10.699 -2.778 1.00 53.25 C ATOM 0 H PHE B 7 3.706 6.696 -0.891 1.00 44.35 H new ATOM 0 HA PHE B 7 2.237 6.959 -3.317 1.00 4.41 H new ATOM 0 HB2 PHE B 7 3.613 8.626 -1.374 1.00 22.50 H new ATOM 0 HB3 PHE B 7 4.052 9.122 -2.997 1.00 22.50 H new ATOM 0 HD1 PHE B 7 1.064 8.333 -0.897 1.00 54.13 H new ATOM 0 HD2 PHE B 7 2.616 10.508 -4.216 1.00 35.51 H new ATOM 0 HE1 PHE B 7 -1.068 9.536 -1.106 1.00 51.43 H new ATOM 0 HE2 PHE B 7 0.485 11.713 -4.424 1.00 14.54 H new ATOM 0 HZ PHE B 7 -1.361 11.228 -2.869 1.00 53.25 H new ATOM 777 N PHE B 8 5.478 6.523 -3.502 1.00 14.24 N ATOM 778 CA PHE B 8 6.580 6.247 -4.416 1.00 23.40 C ATOM 779 C PHE B 8 6.272 5.033 -5.289 1.00 21.31 C ATOM 780 O PHE B 8 6.524 5.041 -6.493 1.00 43.03 O ATOM 781 CB PHE B 8 7.873 6.012 -3.634 1.00 62.24 C ATOM 782 CG PHE B 8 9.115 6.320 -4.421 1.00 44.41 C ATOM 783 CD1 PHE B 8 9.401 7.618 -4.810 1.00 71.13 C ATOM 784 CD2 PHE B 8 9.996 5.310 -4.772 1.00 45.44 C ATOM 785 CE1 PHE B 8 10.542 7.904 -5.535 1.00 35.51 C ATOM 786 CE2 PHE B 8 11.139 5.590 -5.496 1.00 71.42 C ATOM 787 CZ PHE B 8 11.412 6.889 -5.879 1.00 61.34 C ATOM 0 H PHE B 8 5.711 6.413 -2.515 1.00 14.24 H new ATOM 0 HA PHE B 8 6.708 7.115 -5.063 1.00 23.40 H new ATOM 0 HB2 PHE B 8 7.861 6.627 -2.734 1.00 62.24 H new ATOM 0 HB3 PHE B 8 7.907 4.972 -3.309 1.00 62.24 H new ATOM 0 HD1 PHE B 8 8.724 8.416 -4.544 1.00 71.13 H new ATOM 0 HD2 PHE B 8 9.787 4.292 -4.476 1.00 45.44 H new ATOM 0 HE1 PHE B 8 10.753 8.921 -5.832 1.00 35.51 H new ATOM 0 HE2 PHE B 8 11.819 4.794 -5.762 1.00 71.42 H new ATOM 0 HZ PHE B 8 12.304 7.110 -6.446 1.00 61.34 H new ATOM 797 N ALA B 9 5.725 3.992 -4.671 1.00 3.32 N ATOM 798 CA ALA B 9 5.382 2.771 -5.390 1.00 54.53 C ATOM 799 C ALA B 9 4.406 3.059 -6.526 1.00 33.43 C ATOM 800 O ALA B 9 4.499 2.468 -7.600 1.00 63.12 O ATOM 801 CB ALA B 9 4.794 1.743 -4.434 1.00 3.22 C ATOM 0 H ALA B 9 5.510 3.969 -3.674 1.00 3.32 H new ATOM 0 HA ALA B 9 6.296 2.366 -5.825 1.00 54.53 H new ATOM 0 HB1 ALA B 9 4.542 0.836 -4.984 1.00 3.22 H new ATOM 0 HB2 ALA B 9 5.524 1.507 -3.660 1.00 3.22 H new ATOM 0 HB3 ALA B 9 3.894 2.149 -3.972 1.00 3.22 H new ATOM 807 N GLU B 10 3.471 3.970 -6.279 1.00 45.21 N ATOM 808 CA GLU B 10 2.476 4.335 -7.282 1.00 70.42 C ATOM 809 C GLU B 10 3.094 5.217 -8.364 1.00 44.53 C ATOM 810 O GLU B 10 2.722 5.131 -9.535 1.00 32.34 O ATOM 811 CB GLU B 10 1.300 5.062 -6.626 1.00 22.13 C ATOM 812 CG GLU B 10 0.076 4.184 -6.430 1.00 1.50 C ATOM 813 CD GLU B 10 -1.182 4.802 -7.010 1.00 64.55 C ATOM 814 OE1 GLU B 10 -1.677 5.794 -6.435 1.00 2.44 O1- ATOM 815 OE2 GLU B 10 -1.673 4.293 -8.039 1.00 64.21 O ATOM 0 H GLU B 10 3.381 4.469 -5.394 1.00 45.21 H new ATOM 0 HA GLU B 10 2.113 3.419 -7.747 1.00 70.42 H new ATOM 0 HB2 GLU B 10 1.618 5.450 -5.658 1.00 22.13 H new ATOM 0 HB3 GLU B 10 1.027 5.921 -7.239 1.00 22.13 H new ATOM 0 HG2 GLU B 10 0.250 3.215 -6.898 1.00 1.50 H new ATOM 0 HG3 GLU B 10 -0.070 4.002 -5.365 1.00 1.50 H new ATOM 822 N ASP B 11 4.038 6.061 -7.964 1.00 22.22 N ATOM 823 CA ASP B 11 4.707 6.957 -8.899 1.00 24.31 C ATOM 824 C ASP B 11 5.328 6.176 -10.052 1.00 71.11 C ATOM 825 O ASP B 11 5.428 6.676 -11.173 1.00 64.32 O ATOM 826 CB ASP B 11 5.785 7.768 -8.177 1.00 44.23 C ATOM 827 CG ASP B 11 6.182 9.015 -8.944 1.00 22.45 C ATOM 828 OD1 ASP B 11 5.863 9.097 -10.148 1.00 53.01 O ATOM 829 OD2 ASP B 11 6.810 9.908 -8.338 1.00 74.44 O1- ATOM 0 H ASP B 11 4.357 6.143 -6.999 1.00 22.22 H new ATOM 0 HA ASP B 11 3.961 7.639 -9.307 1.00 24.31 H new ATOM 0 HB2 ASP B 11 5.421 8.053 -7.190 1.00 44.23 H new ATOM 0 HB3 ASP B 11 6.665 7.143 -8.025 1.00 44.23 H new ATOM 834 N VAL B 12 5.744 4.945 -9.770 1.00 55.21 N ATOM 835 CA VAL B 12 6.355 4.093 -10.783 1.00 52.10 C ATOM 836 C VAL B 12 5.354 3.081 -11.327 1.00 62.40 C ATOM 837 O VAL B 12 5.105 3.023 -12.531 1.00 65.11 O ATOM 838 CB VAL B 12 7.575 3.340 -10.222 1.00 62.05 C ATOM 839 CG1 VAL B 12 8.296 2.589 -11.332 1.00 4.04 C ATOM 840 CG2 VAL B 12 8.519 4.304 -9.520 1.00 52.34 C ATOM 0 H VAL B 12 5.669 4.516 -8.848 1.00 55.21 H new ATOM 0 HA VAL B 12 6.681 4.748 -11.591 1.00 52.10 H new ATOM 0 HB VAL B 12 7.226 2.612 -9.490 1.00 62.05 H new ATOM 0 HG11 VAL B 12 9.155 2.063 -10.917 1.00 4.04 H new ATOM 0 HG12 VAL B 12 7.615 1.869 -11.786 1.00 4.04 H new ATOM 0 HG13 VAL B 12 8.635 3.296 -12.089 1.00 4.04 H new ATOM 0 HG21 VAL B 12 9.376 3.755 -9.130 1.00 52.34 H new ATOM 0 HG22 VAL B 12 8.863 5.057 -10.229 1.00 52.34 H new ATOM 0 HG23 VAL B 12 7.996 4.792 -8.698 1.00 52.34 H new ATOM 850 N GLY B 13 4.779 2.284 -10.431 1.00 23.54 N ATOM 851 CA GLY B 13 3.810 1.285 -10.840 1.00 64.33 C ATOM 852 C GLY B 13 4.441 -0.072 -11.078 1.00 22.53 C ATOM 853 O GLY B 13 3.908 -1.096 -10.650 1.00 53.34 O ATOM 0 H GLY B 13 4.967 2.313 -9.429 1.00 23.54 H new ATOM 0 HA2 GLY B 13 3.040 1.195 -10.073 1.00 64.33 H new ATOM 0 HA3 GLY B 13 3.314 1.617 -11.752 1.00 64.33 H new ATOM 857 N SER B 14 5.579 -0.081 -11.766 1.00 21.23 N ATOM 858 CA SER B 14 6.282 -1.324 -12.064 1.00 62.54 C ATOM 859 C SER B 14 7.559 -1.438 -11.238 1.00 73.21 C ATOM 860 O SER B 14 8.491 -2.149 -11.612 1.00 41.54 O ATOM 861 CB SER B 14 6.615 -1.399 -13.555 1.00 5.22 C ATOM 862 OG SER B 14 5.437 -1.434 -14.340 1.00 73.04 O ATOM 0 H SER B 14 6.033 0.758 -12.127 1.00 21.23 H new ATOM 0 HA SER B 14 5.628 -2.156 -11.803 1.00 62.54 H new ATOM 0 HB2 SER B 14 7.220 -0.538 -13.839 1.00 5.22 H new ATOM 0 HB3 SER B 14 7.214 -2.288 -13.753 1.00 5.22 H new ATOM 0 HG SER B 14 5.677 -1.480 -15.289 1.00 73.04 H new ATOM 868 N ASN B 15 7.595 -0.730 -10.114 1.00 71.02 N ATOM 869 CA ASN B 15 8.758 -0.750 -9.235 1.00 74.13 C ATOM 870 C ASN B 15 8.987 -2.148 -8.667 1.00 63.30 C ATOM 871 O ASN B 15 10.116 -2.524 -8.349 1.00 52.43 O ATOM 872 CB ASN B 15 8.579 0.253 -8.094 1.00 43.53 C ATOM 873 CG ASN B 15 7.365 -0.056 -7.238 1.00 72.21 C ATOM 874 OD1 ASN B 15 6.263 -0.254 -7.752 1.00 20.22 O ATOM 875 ND2 ASN B 15 7.561 -0.099 -5.926 1.00 60.13 N ATOM 0 H ASN B 15 6.832 -0.135 -9.790 1.00 71.02 H new ATOM 0 HA ASN B 15 9.631 -0.468 -9.823 1.00 74.13 H new ATOM 0 HB2 ASN B 15 9.472 0.251 -7.468 1.00 43.53 H new ATOM 0 HB3 ASN B 15 8.483 1.257 -8.508 1.00 43.53 H new ATOM 0 HD21 ASN B 15 6.782 -0.302 -5.300 1.00 60.13 H new ATOM 0 HD22 ASN B 15 8.491 0.071 -5.543 1.00 60.13 H new ATOM 882 N LYS B 16 7.909 -2.914 -8.544 1.00 43.20 N ATOM 883 CA LYS B 16 7.991 -4.271 -8.017 1.00 54.43 C ATOM 884 C LYS B 16 9.009 -5.097 -8.795 1.00 15.13 C ATOM 885 O LYS B 16 9.751 -5.890 -8.218 1.00 51.12 O ATOM 886 CB LYS B 16 6.618 -4.946 -8.077 1.00 71.21 C ATOM 887 CG LYS B 16 6.027 -5.002 -9.475 1.00 22.40 C ATOM 888 CD LYS B 16 4.509 -4.958 -9.441 1.00 33.51 C ATOM 889 CE LYS B 16 3.909 -6.352 -9.539 1.00 15.53 C ATOM 890 NZ LYS B 16 2.820 -6.559 -8.545 1.00 24.33 N1+ ATOM 0 H LYS B 16 6.968 -2.618 -8.802 1.00 43.20 H new ATOM 0 HA LYS B 16 8.316 -4.212 -6.978 1.00 54.43 H new ATOM 0 HB2 LYS B 16 6.704 -5.960 -7.687 1.00 71.21 H new ATOM 0 HB3 LYS B 16 5.930 -4.410 -7.422 1.00 71.21 H new ATOM 0 HG2 LYS B 16 6.403 -4.165 -10.064 1.00 22.40 H new ATOM 0 HG3 LYS B 16 6.354 -5.915 -9.973 1.00 22.40 H new ATOM 0 HD2 LYS B 16 4.178 -4.482 -8.518 1.00 33.51 H new ATOM 0 HD3 LYS B 16 4.143 -4.344 -10.264 1.00 33.51 H new ATOM 0 HE2 LYS B 16 3.518 -6.509 -10.544 1.00 15.53 H new ATOM 0 HE3 LYS B 16 4.690 -7.095 -9.382 1.00 15.53 H new ATOM 0 HZ1 LYS B 16 2.437 -7.521 -8.644 1.00 24.33 H new ATOM 0 HZ2 LYS B 16 3.199 -6.434 -7.584 1.00 24.33 H new ATOM 0 HZ3 LYS B 16 2.062 -5.866 -8.711 1.00 24.33 H new ATOM 904 N GLY B 17 9.041 -4.904 -10.111 1.00 4.31 N ATOM 905 CA GLY B 17 9.974 -5.637 -10.946 1.00 33.42 C ATOM 906 C GLY B 17 11.404 -5.517 -10.460 1.00 53.42 C ATOM 907 O GLY B 17 12.166 -6.482 -10.507 1.00 43.40 O ATOM 0 H GLY B 17 8.437 -4.253 -10.613 1.00 4.31 H new ATOM 0 HA2 GLY B 17 9.688 -6.689 -10.968 1.00 33.42 H new ATOM 0 HA3 GLY B 17 9.909 -5.267 -11.969 1.00 33.42 H new ATOM 911 N ALA B 18 11.771 -4.327 -9.996 1.00 32.22 N ATOM 912 CA ALA B 18 13.121 -4.084 -9.500 1.00 63.10 C ATOM 913 C ALA B 18 13.363 -4.817 -8.184 1.00 74.14 C ATOM 914 O ALA B 18 14.361 -5.520 -8.030 1.00 4.35 O ATOM 915 CB ALA B 18 13.358 -2.591 -9.325 1.00 33.43 C ATOM 0 H ALA B 18 11.153 -3.516 -9.953 1.00 32.22 H new ATOM 0 HA ALA B 18 13.827 -4.470 -10.236 1.00 63.10 H new ATOM 0 HB1 ALA B 18 14.369 -2.424 -8.954 1.00 33.43 H new ATOM 0 HB2 ALA B 18 13.236 -2.088 -10.284 1.00 33.43 H new ATOM 0 HB3 ALA B 18 12.639 -2.190 -8.611 1.00 33.43 H new ATOM 921 N ILE B 19 12.443 -4.647 -7.240 1.00 3.21 N ATOM 922 CA ILE B 19 12.558 -5.293 -5.939 1.00 42.52 C ATOM 923 C ILE B 19 12.651 -6.808 -6.084 1.00 45.01 C ATOM 924 O ILE B 19 13.625 -7.425 -5.650 1.00 51.23 O ATOM 925 CB ILE B 19 11.361 -4.948 -5.032 1.00 33.45 C ATOM 926 CG1 ILE B 19 11.242 -3.433 -4.863 1.00 32.21 C ATOM 927 CG2 ILE B 19 11.509 -5.628 -3.679 1.00 64.11 C ATOM 928 CD1 ILE B 19 12.471 -2.793 -4.257 1.00 15.41 C ATOM 0 H ILE B 19 11.611 -4.068 -7.352 1.00 3.21 H new ATOM 0 HA ILE B 19 13.472 -4.918 -5.480 1.00 42.52 H new ATOM 0 HB ILE B 19 10.449 -5.315 -5.503 1.00 33.45 H new ATOM 0 HG12 ILE B 19 11.050 -2.981 -5.836 1.00 32.21 H new ATOM 0 HG13 ILE B 19 10.380 -3.213 -4.233 1.00 32.21 H new ATOM 0 HG21 ILE B 19 10.656 -5.375 -3.049 1.00 64.11 H new ATOM 0 HG22 ILE B 19 11.550 -6.708 -3.817 1.00 64.11 H new ATOM 0 HG23 ILE B 19 12.427 -5.289 -3.200 1.00 64.11 H new ATOM 0 HD11 ILE B 19 12.315 -1.718 -4.167 1.00 15.41 H new ATOM 0 HD12 ILE B 19 12.653 -3.217 -3.269 1.00 15.41 H new ATOM 0 HD13 ILE B 19 13.333 -2.982 -4.897 1.00 15.41 H new ATOM 940 N ILE B 20 11.633 -7.403 -6.697 1.00 43.32 N ATOM 941 CA ILE B 20 11.602 -8.846 -6.902 1.00 64.50 C ATOM 942 C ILE B 20 12.890 -9.336 -7.552 1.00 3.13 C ATOM 943 O ILE B 20 13.527 -10.271 -7.067 1.00 61.12 O ATOM 944 CB ILE B 20 10.406 -9.264 -7.777 1.00 12.10 C ATOM 945 CG1 ILE B 20 9.093 -8.819 -7.131 1.00 4.15 C ATOM 946 CG2 ILE B 20 10.412 -10.769 -7.996 1.00 22.15 C ATOM 947 CD1 ILE B 20 8.855 -9.425 -5.766 1.00 15.43 C ATOM 0 H ILE B 20 10.819 -6.908 -7.060 1.00 43.32 H new ATOM 0 HA ILE B 20 11.499 -9.303 -5.918 1.00 64.50 H new ATOM 0 HB ILE B 20 10.495 -8.775 -8.747 1.00 12.10 H new ATOM 0 HG12 ILE B 20 9.091 -7.733 -7.043 1.00 4.15 H new ATOM 0 HG13 ILE B 20 8.265 -9.087 -7.788 1.00 4.15 H new ATOM 0 HG21 ILE B 20 9.561 -11.050 -8.616 1.00 22.15 H new ATOM 0 HG22 ILE B 20 11.336 -11.060 -8.495 1.00 22.15 H new ATOM 0 HG23 ILE B 20 10.343 -11.277 -7.034 1.00 22.15 H new ATOM 0 HD11 ILE B 20 7.906 -9.065 -5.369 1.00 15.43 H new ATOM 0 HD12 ILE B 20 8.824 -10.511 -5.850 1.00 15.43 H new ATOM 0 HD13 ILE B 20 9.663 -9.136 -5.094 1.00 15.43 H new ATOM 959 N GLY B 21 13.271 -8.697 -8.655 1.00 73.30 N ATOM 960 CA GLY B 21 14.484 -9.083 -9.353 1.00 11.22 C ATOM 961 C GLY B 21 15.717 -8.968 -8.480 1.00 42.32 C ATOM 962 O GLY B 21 16.701 -9.681 -8.684 1.00 43.00 O ATOM 0 H GLY B 21 12.762 -7.920 -9.077 1.00 73.30 H new ATOM 0 HA2 GLY B 21 14.386 -10.110 -9.704 1.00 11.22 H new ATOM 0 HA3 GLY B 21 14.607 -8.455 -10.235 1.00 11.22 H new ATOM 966 N LEU B 22 15.668 -8.068 -7.504 1.00 1.10 N ATOM 967 CA LEU B 22 16.791 -7.862 -6.595 1.00 63.54 C ATOM 968 C LEU B 22 16.936 -9.036 -5.632 1.00 3.34 C ATOM 969 O LEU B 22 18.034 -9.556 -5.433 1.00 3.31 O ATOM 970 CB LEU B 22 16.604 -6.563 -5.810 1.00 2.22 C ATOM 971 CG LEU B 22 17.538 -5.411 -6.186 1.00 43.13 C ATOM 972 CD1 LEU B 22 17.047 -4.107 -5.579 1.00 35.24 C ATOM 973 CD2 LEU B 22 18.960 -5.709 -5.734 1.00 43.24 C ATOM 0 H LEU B 22 14.863 -7.469 -7.322 1.00 1.10 H new ATOM 0 HA LEU B 22 17.701 -7.792 -7.191 1.00 63.54 H new ATOM 0 HB2 LEU B 22 15.575 -6.228 -5.941 1.00 2.22 H new ATOM 0 HB3 LEU B 22 16.736 -6.780 -4.750 1.00 2.22 H new ATOM 0 HG LEU B 22 17.537 -5.306 -7.271 1.00 43.13 H new ATOM 0 HD11 LEU B 22 17.724 -3.299 -5.857 1.00 35.24 H new ATOM 0 HD12 LEU B 22 16.046 -3.887 -5.951 1.00 35.24 H new ATOM 0 HD13 LEU B 22 17.019 -4.199 -4.493 1.00 35.24 H new ATOM 0 HD21 LEU B 22 19.611 -4.879 -6.010 1.00 43.24 H new ATOM 0 HD22 LEU B 22 18.978 -5.840 -4.652 1.00 43.24 H new ATOM 0 HD23 LEU B 22 19.311 -6.621 -6.216 1.00 43.24 H new ATOM 985 N MET B 23 15.820 -9.450 -5.040 1.00 44.40 N ATOM 986 CA MET B 23 15.823 -10.566 -4.101 1.00 71.22 C ATOM 987 C MET B 23 15.949 -11.895 -4.837 1.00 4.21 C ATOM 988 O MET B 23 16.888 -12.658 -4.607 1.00 74.33 O ATOM 989 CB MET B 23 14.547 -10.553 -3.259 1.00 54.41 C ATOM 990 CG MET B 23 14.085 -9.157 -2.875 1.00 32.30 C ATOM 991 SD MET B 23 12.894 -9.166 -1.521 1.00 4.02 S ATOM 992 CE MET B 23 13.897 -9.827 -0.192 1.00 45.11 C ATOM 0 H MET B 23 14.903 -9.030 -5.194 1.00 44.40 H new ATOM 0 HA MET B 23 16.685 -10.454 -3.443 1.00 71.22 H new ATOM 0 HB2 MET B 23 13.751 -11.050 -3.813 1.00 54.41 H new ATOM 0 HB3 MET B 23 14.715 -11.133 -2.352 1.00 54.41 H new ATOM 0 HG2 MET B 23 14.950 -8.558 -2.589 1.00 32.30 H new ATOM 0 HG3 MET B 23 13.637 -8.675 -3.744 1.00 32.30 H new ATOM 0 HE1 MET B 23 13.249 -10.223 0.590 1.00 45.11 H new ATOM 0 HE2 MET B 23 14.531 -10.625 -0.577 1.00 45.11 H new ATOM 0 HE3 MET B 23 14.522 -9.035 0.221 1.00 45.11 H new ATOM 1002 N VAL B 24 14.996 -12.168 -5.723 1.00 14.24 N ATOM 1003 CA VAL B 24 15.000 -13.406 -6.494 1.00 33.43 C ATOM 1004 C VAL B 24 16.266 -13.525 -7.335 1.00 12.43 C ATOM 1005 O VAL B 24 16.939 -14.555 -7.320 1.00 51.14 O ATOM 1006 CB VAL B 24 13.772 -13.496 -7.418 1.00 32.42 C ATOM 1007 CG1 VAL B 24 13.786 -14.800 -8.201 1.00 73.50 C ATOM 1008 CG2 VAL B 24 12.488 -13.362 -6.613 1.00 15.54 C ATOM 0 H VAL B 24 14.211 -11.548 -5.925 1.00 14.24 H new ATOM 0 HA VAL B 24 14.965 -14.226 -5.777 1.00 33.43 H new ATOM 0 HB VAL B 24 13.815 -12.672 -8.130 1.00 32.42 H new ATOM 0 HG11 VAL B 24 12.910 -14.845 -8.848 1.00 73.50 H new ATOM 0 HG12 VAL B 24 14.689 -14.850 -8.809 1.00 73.50 H new ATOM 0 HG13 VAL B 24 13.768 -15.641 -7.508 1.00 73.50 H new ATOM 0 HG21 VAL B 24 11.630 -13.428 -7.282 1.00 15.54 H new ATOM 0 HG22 VAL B 24 12.435 -14.163 -5.876 1.00 15.54 H new ATOM 0 HG23 VAL B 24 12.477 -12.399 -6.103 1.00 15.54 H new ATOM 1018 N GLY B 25 16.585 -12.463 -8.069 1.00 45.24 N ATOM 1019 CA GLY B 25 17.770 -12.469 -8.907 1.00 52.24 C ATOM 1020 C GLY B 25 19.046 -12.626 -8.104 1.00 12.45 C ATOM 1021 O GLY B 25 19.907 -13.436 -8.446 1.00 44.51 O ATOM 0 H GLY B 25 16.044 -11.599 -8.098 1.00 45.24 H new ATOM 0 HA2 GLY B 25 17.696 -13.282 -9.629 1.00 52.24 H new ATOM 0 HA3 GLY B 25 17.814 -11.540 -9.476 1.00 52.24 H new ATOM 1025 N GLY B 26 19.171 -11.845 -7.035 1.00 12.45 N ATOM 1026 CA GLY B 26 20.356 -11.916 -6.199 1.00 62.31 C ATOM 1027 C GLY B 26 20.641 -13.323 -5.714 1.00 71.30 C ATOM 1028 O GLY B 26 21.791 -13.761 -5.700 1.00 64.44 O ATOM 0 H GLY B 26 18.473 -11.165 -6.733 1.00 12.45 H new ATOM 0 HA2 GLY B 26 21.215 -11.548 -6.760 1.00 62.31 H new ATOM 0 HA3 GLY B 26 20.230 -11.257 -5.340 1.00 62.31 H new ATOM 1032 N VAL B 27 19.591 -14.033 -5.314 1.00 24.11 N ATOM 1033 CA VAL B 27 19.734 -15.399 -4.825 1.00 31.31 C ATOM 1034 C VAL B 27 20.110 -16.351 -5.954 1.00 64.42 C ATOM 1035 O VAL B 27 20.955 -17.230 -5.786 1.00 52.42 O ATOM 1036 CB VAL B 27 18.436 -15.895 -4.160 1.00 22.42 C ATOM 1037 CG1 VAL B 27 18.595 -17.332 -3.685 1.00 14.40 C ATOM 1038 CG2 VAL B 27 18.046 -14.984 -3.006 1.00 24.04 C ATOM 0 H VAL B 27 18.632 -13.685 -5.319 1.00 24.11 H new ATOM 0 HA VAL B 27 20.533 -15.388 -4.083 1.00 31.31 H new ATOM 0 HB VAL B 27 17.636 -15.868 -4.900 1.00 22.42 H new ATOM 0 HG11 VAL B 27 17.668 -17.665 -3.218 1.00 14.40 H new ATOM 0 HG12 VAL B 27 18.824 -17.973 -4.536 1.00 14.40 H new ATOM 0 HG13 VAL B 27 19.407 -17.388 -2.960 1.00 14.40 H new ATOM 0 HG21 VAL B 27 17.127 -15.350 -2.548 1.00 24.04 H new ATOM 0 HG22 VAL B 27 18.843 -14.976 -2.263 1.00 24.04 H new ATOM 0 HG23 VAL B 27 17.888 -13.972 -3.379 1.00 24.04 H new ATOM 1048 N VAL B 28 19.476 -16.170 -7.109 1.00 44.32 N ATOM 1049 CA VAL B 28 19.745 -17.012 -8.268 1.00 72.25 C ATOM 1050 C VAL B 28 21.177 -16.831 -8.759 1.00 61.12 C ATOM 1051 O VAL B 28 21.951 -17.785 -8.812 1.00 4.12 O ATOM 1052 CB VAL B 28 18.775 -16.702 -9.424 1.00 30.43 C ATOM 1053 CG1 VAL B 28 19.091 -17.567 -10.634 1.00 14.03 C ATOM 1054 CG2 VAL B 28 17.334 -16.903 -8.978 1.00 41.34 C ATOM 0 H VAL B 28 18.773 -15.448 -7.266 1.00 44.32 H new ATOM 0 HA VAL B 28 19.601 -18.044 -7.949 1.00 72.25 H new ATOM 0 HB VAL B 28 18.902 -15.658 -9.711 1.00 30.43 H new ATOM 0 HG11 VAL B 28 18.395 -17.333 -11.440 1.00 14.03 H new ATOM 0 HG12 VAL B 28 20.110 -17.370 -10.966 1.00 14.03 H new ATOM 0 HG13 VAL B 28 18.994 -18.619 -10.365 1.00 14.03 H new ATOM 0 HG21 VAL B 28 16.662 -16.680 -9.807 1.00 41.34 H new ATOM 0 HG22 VAL B 28 17.191 -17.937 -8.664 1.00 41.34 H new ATOM 0 HG23 VAL B 28 17.115 -16.237 -8.144 1.00 41.34 H new ATOM 1064 N ILE B 29 21.521 -15.598 -9.117 1.00 43.52 N ATOM 1065 CA ILE B 29 22.861 -15.290 -9.602 1.00 61.14 C ATOM 1066 C ILE B 29 23.926 -15.812 -8.643 1.00 31.13 C ATOM 1067 O ILE B 29 24.880 -16.469 -9.057 1.00 42.31 O ATOM 1068 CB ILE B 29 23.057 -13.775 -9.794 1.00 72.21 C ATOM 1069 CG1 ILE B 29 22.031 -13.228 -10.790 1.00 65.04 C ATOM 1070 CG2 ILE B 29 24.473 -13.479 -10.267 1.00 30.35 C ATOM 1071 CD1 ILE B 29 22.189 -13.787 -12.186 1.00 25.13 C ATOM 0 H ILE B 29 20.891 -14.797 -9.080 1.00 43.52 H new ATOM 0 HA ILE B 29 22.969 -15.786 -10.566 1.00 61.14 H new ATOM 0 HB ILE B 29 22.905 -13.280 -8.835 1.00 72.21 H new ATOM 0 HG12 ILE B 29 21.028 -13.454 -10.428 1.00 65.04 H new ATOM 0 HG13 ILE B 29 22.118 -12.142 -10.830 1.00 65.04 H new ATOM 0 HG21 ILE B 29 24.596 -12.404 -10.398 1.00 30.35 H new ATOM 0 HG22 ILE B 29 25.187 -13.838 -9.526 1.00 30.35 H new ATOM 0 HG23 ILE B 29 24.652 -13.983 -11.217 1.00 30.35 H new ATOM 0 HD11 ILE B 29 21.430 -13.356 -12.839 1.00 25.13 H new ATOM 0 HD12 ILE B 29 23.179 -13.538 -12.568 1.00 25.13 H new ATOM 0 HD13 ILE B 29 22.072 -14.870 -12.159 1.00 25.13 H new ATOM 1083 N ALA B 30 23.755 -15.514 -7.359 1.00 61.53 N ATOM 1084 CA ALA B 30 24.699 -15.956 -6.340 1.00 41.51 C ATOM 1085 C ALA B 30 24.950 -17.456 -6.439 1.00 3.30 C ATOM 1086 O ALA B 30 26.097 -17.902 -6.504 1.00 12.12 O ATOM 1087 CB ALA B 30 24.187 -15.594 -4.954 1.00 34.43 C ATOM 0 H ALA B 30 22.972 -14.968 -7.000 1.00 61.53 H new ATOM 0 HA ALA B 30 25.646 -15.444 -6.510 1.00 41.51 H new ATOM 0 HB1 ALA B 30 24.902 -15.930 -4.203 1.00 34.43 H new ATOM 0 HB2 ALA B 30 24.066 -14.513 -4.882 1.00 34.43 H new ATOM 0 HB3 ALA B 30 23.226 -16.079 -4.783 1.00 34.43 H new ATOM 1093 N THR B 31 23.871 -18.233 -6.448 1.00 55.34 N ATOM 1094 CA THR B 31 23.975 -19.684 -6.536 1.00 44.34 C ATOM 1095 C THR B 31 24.635 -20.111 -7.844 1.00 64.05 C ATOM 1096 O THR B 31 25.480 -21.004 -7.862 1.00 32.31 O ATOM 1097 CB THR B 31 22.592 -20.354 -6.430 1.00 71.41 C ATOM 1098 OG1 THR B 31 21.859 -19.791 -5.337 1.00 55.31 O ATOM 1099 CG2 THR B 31 22.732 -21.856 -6.234 1.00 41.44 C ATOM 0 H THR B 31 22.915 -17.881 -6.395 1.00 55.34 H new ATOM 0 HA THR B 31 24.593 -20.007 -5.698 1.00 44.34 H new ATOM 0 HB THR B 31 22.053 -20.174 -7.360 1.00 71.41 H new ATOM 0 HG1 THR B 31 21.491 -18.922 -5.603 1.00 55.31 H new ATOM 0 HG21 THR B 31 21.742 -22.307 -6.162 1.00 41.44 H new ATOM 0 HG22 THR B 31 23.266 -22.285 -7.082 1.00 41.44 H new ATOM 0 HG23 THR B 31 23.288 -22.053 -5.318 1.00 41.44 H new ATOM 1107 N VAL B 32 24.242 -19.463 -8.937 1.00 33.22 N ATOM 1108 CA VAL B 32 24.797 -19.773 -10.249 1.00 10.51 C ATOM 1109 C VAL B 32 26.321 -19.753 -10.220 1.00 44.22 C ATOM 1110 O VAL B 32 26.972 -20.707 -10.648 1.00 21.24 O ATOM 1111 CB VAL B 32 24.302 -18.780 -11.318 1.00 72.41 C ATOM 1112 CG1 VAL B 32 24.919 -19.098 -12.670 1.00 30.13 C ATOM 1113 CG2 VAL B 32 22.783 -18.799 -11.398 1.00 1.22 C ATOM 0 H VAL B 32 23.542 -18.721 -8.939 1.00 33.22 H new ATOM 0 HA VAL B 32 24.454 -20.775 -10.508 1.00 10.51 H new ATOM 0 HB VAL B 32 24.616 -17.777 -11.030 1.00 72.41 H new ATOM 0 HG11 VAL B 32 24.557 -18.386 -13.412 1.00 30.13 H new ATOM 0 HG12 VAL B 32 26.005 -19.029 -12.600 1.00 30.13 H new ATOM 0 HG13 VAL B 32 24.638 -20.108 -12.970 1.00 30.13 H new ATOM 0 HG21 VAL B 32 22.450 -18.092 -12.158 1.00 1.22 H new ATOM 0 HG22 VAL B 32 22.445 -19.801 -11.662 1.00 1.22 H new ATOM 0 HG23 VAL B 32 22.364 -18.517 -10.432 1.00 1.22 H new ATOM 1123 N ILE B 33 26.884 -18.661 -9.713 1.00 33.21 N ATOM 1124 CA ILE B 33 28.332 -18.518 -9.628 1.00 4.21 C ATOM 1125 C ILE B 33 28.940 -19.602 -8.742 1.00 15.44 C ATOM 1126 O ILE B 33 29.916 -20.250 -9.119 1.00 54.11 O ATOM 1127 CB ILE B 33 28.729 -17.138 -9.075 1.00 4.41 C ATOM 1128 CG1 ILE B 33 28.073 -16.026 -9.897 1.00 74.01 C ATOM 1129 CG2 ILE B 33 30.243 -16.982 -9.077 1.00 44.25 C ATOM 1130 CD1 ILE B 33 28.520 -16.001 -11.343 1.00 63.23 C ATOM 0 H ILE B 33 26.359 -17.863 -9.355 1.00 33.21 H new ATOM 0 HA ILE B 33 28.720 -18.620 -10.642 1.00 4.21 H new ATOM 0 HB ILE B 33 28.376 -17.060 -8.047 1.00 4.41 H new ATOM 0 HG12 ILE B 33 26.991 -16.149 -9.862 1.00 74.01 H new ATOM 0 HG13 ILE B 33 28.300 -15.064 -9.438 1.00 74.01 H new ATOM 0 HG21 ILE B 33 30.508 -16.001 -8.683 1.00 44.25 H new ATOM 0 HG22 ILE B 33 30.689 -17.756 -8.453 1.00 44.25 H new ATOM 0 HG23 ILE B 33 30.617 -17.077 -10.096 1.00 44.25 H new ATOM 0 HD11 ILE B 33 28.015 -15.188 -11.866 1.00 63.23 H new ATOM 0 HD12 ILE B 33 29.598 -15.847 -11.388 1.00 63.23 H new ATOM 0 HD13 ILE B 33 28.269 -16.949 -11.818 1.00 63.23 H new ATOM 1142 N VAL B 34 28.354 -19.793 -7.564 1.00 65.04 N ATOM 1143 CA VAL B 34 28.836 -20.801 -6.627 1.00 34.20 C ATOM 1144 C VAL B 34 28.949 -22.166 -7.296 1.00 44.13 C ATOM 1145 O VAL B 34 30.010 -22.792 -7.276 1.00 72.22 O ATOM 1146 CB VAL B 34 27.908 -20.917 -5.402 1.00 24.51 C ATOM 1147 CG1 VAL B 34 28.466 -21.918 -4.403 1.00 24.53 C ATOM 1148 CG2 VAL B 34 27.711 -19.556 -4.752 1.00 24.41 C ATOM 0 H VAL B 34 27.546 -19.264 -7.236 1.00 65.04 H new ATOM 0 HA VAL B 34 29.824 -20.479 -6.297 1.00 34.20 H new ATOM 0 HB VAL B 34 26.936 -21.278 -5.737 1.00 24.51 H new ATOM 0 HG11 VAL B 34 27.798 -21.987 -3.545 1.00 24.53 H new ATOM 0 HG12 VAL B 34 28.550 -22.896 -4.876 1.00 24.53 H new ATOM 0 HG13 VAL B 34 29.451 -21.590 -4.071 1.00 24.53 H new ATOM 0 HG21 VAL B 34 27.053 -19.657 -3.889 1.00 24.41 H new ATOM 0 HG22 VAL B 34 28.675 -19.164 -4.429 1.00 24.41 H new ATOM 0 HG23 VAL B 34 27.263 -18.871 -5.471 1.00 24.41 H new ATOM 1158 N ILE B 35 27.851 -22.621 -7.888 1.00 3.34 N ATOM 1159 CA ILE B 35 27.828 -23.912 -8.566 1.00 33.00 C ATOM 1160 C ILE B 35 28.870 -23.967 -9.677 1.00 44.55 C ATOM 1161 O ILE B 35 29.463 -25.015 -9.937 1.00 3.43 O ATOM 1162 CB ILE B 35 26.440 -24.209 -9.163 1.00 62.11 C ATOM 1163 CG1 ILE B 35 25.376 -24.203 -8.063 1.00 20.03 C ATOM 1164 CG2 ILE B 35 26.452 -25.547 -9.888 1.00 51.44 C ATOM 1165 CD1 ILE B 35 23.960 -24.160 -8.593 1.00 34.21 C ATOM 0 H ILE B 35 26.965 -22.116 -7.912 1.00 3.34 H new ATOM 0 HA ILE B 35 28.061 -24.668 -7.816 1.00 33.00 H new ATOM 0 HB ILE B 35 26.195 -23.429 -9.884 1.00 62.11 H new ATOM 0 HG12 ILE B 35 25.498 -25.093 -7.446 1.00 20.03 H new ATOM 0 HG13 ILE B 35 25.539 -23.342 -7.415 1.00 20.03 H new ATOM 0 HG21 ILE B 35 25.464 -25.744 -10.305 1.00 51.44 H new ATOM 0 HG22 ILE B 35 27.186 -25.518 -10.693 1.00 51.44 H new ATOM 0 HG23 ILE B 35 26.714 -26.339 -9.186 1.00 51.44 H new ATOM 0 HD11 ILE B 35 23.259 -24.158 -7.758 1.00 34.21 H new ATOM 0 HD12 ILE B 35 23.821 -23.256 -9.186 1.00 34.21 H new ATOM 0 HD13 ILE B 35 23.778 -25.035 -9.217 1.00 34.21 H new ATOM 1177 N THR B 36 29.090 -22.832 -10.333 1.00 75.45 N ATOM 1178 CA THR B 36 30.061 -22.750 -11.416 1.00 63.13 C ATOM 1179 C THR B 36 31.476 -23.007 -10.908 1.00 60.44 C ATOM 1180 O THR B 36 32.258 -23.710 -11.548 1.00 74.33 O ATOM 1181 CB THR B 36 30.018 -21.374 -12.107 1.00 71.44 C ATOM 1182 OG1 THR B 36 28.718 -21.145 -12.662 1.00 5.23 O ATOM 1183 CG2 THR B 36 31.067 -21.286 -13.206 1.00 0.52 C ATOM 0 H THR B 36 28.608 -21.956 -10.132 1.00 75.45 H new ATOM 0 HA THR B 36 29.792 -23.520 -12.139 1.00 63.13 H new ATOM 0 HB THR B 36 30.233 -20.610 -11.360 1.00 71.44 H new ATOM 0 HG1 THR B 36 28.101 -20.877 -11.950 1.00 5.23 H new ATOM 0 HG21 THR B 36 31.017 -20.305 -13.679 1.00 0.52 H new ATOM 0 HG22 THR B 36 32.058 -21.431 -12.776 1.00 0.52 H new ATOM 0 HG23 THR B 36 30.879 -22.058 -13.952 1.00 0.52 H new ATOM 1191 N LEU B 37 31.798 -22.434 -9.754 1.00 70.42 N ATOM 1192 CA LEU B 37 33.119 -22.601 -9.158 1.00 13.33 C ATOM 1193 C LEU B 37 33.337 -24.043 -8.715 1.00 71.54 C ATOM 1194 O LEU B 37 34.346 -24.662 -9.055 1.00 74.21 O ATOM 1195 CB LEU B 37 33.286 -21.657 -7.966 1.00 42.54 C ATOM 1196 CG LEU B 37 34.662 -21.009 -7.810 1.00 54.52 C ATOM 1197 CD1 LEU B 37 34.535 -19.628 -7.188 1.00 30.11 C ATOM 1198 CD2 LEU B 37 35.576 -21.893 -6.972 1.00 43.10 C ATOM 0 H LEU B 37 31.162 -21.849 -9.212 1.00 70.42 H new ATOM 0 HA LEU B 37 33.865 -22.356 -9.914 1.00 13.33 H new ATOM 0 HB2 LEU B 37 32.541 -20.865 -8.048 1.00 42.54 H new ATOM 0 HB3 LEU B 37 33.063 -22.212 -7.055 1.00 42.54 H new ATOM 0 HG LEU B 37 35.105 -20.898 -8.800 1.00 54.52 H new ATOM 0 HD11 LEU B 37 35.525 -19.183 -7.085 1.00 30.11 H new ATOM 0 HD12 LEU B 37 33.918 -18.996 -7.827 1.00 30.11 H new ATOM 0 HD13 LEU B 37 34.071 -19.713 -6.205 1.00 30.11 H new ATOM 0 HD21 LEU B 37 36.551 -21.416 -6.871 1.00 43.10 H new ATOM 0 HD22 LEU B 37 35.138 -22.036 -5.984 1.00 43.10 H new ATOM 0 HD23 LEU B 37 35.694 -22.860 -7.460 1.00 43.10 H new ATOM 1210 N VAL B 38 32.385 -24.574 -7.955 1.00 74.15 N ATOM 1211 CA VAL B 38 32.471 -25.946 -7.468 1.00 2.23 C ATOM 1212 C VAL B 38 32.591 -26.934 -8.623 1.00 45.44 C ATOM 1213 O VAL B 38 33.390 -27.868 -8.573 1.00 14.02 O ATOM 1214 CB VAL B 38 31.242 -26.316 -6.616 1.00 11.23 C ATOM 1215 CG1 VAL B 38 31.437 -27.675 -5.960 1.00 20.41 C ATOM 1216 CG2 VAL B 38 30.977 -25.244 -5.569 1.00 31.42 C ATOM 0 H VAL B 38 31.545 -24.075 -7.663 1.00 74.15 H new ATOM 0 HA VAL B 38 33.366 -26.006 -6.849 1.00 2.23 H new ATOM 0 HB VAL B 38 30.373 -26.376 -7.271 1.00 11.23 H new ATOM 0 HG11 VAL B 38 30.559 -27.920 -5.362 1.00 20.41 H new ATOM 0 HG12 VAL B 38 31.575 -28.434 -6.730 1.00 20.41 H new ATOM 0 HG13 VAL B 38 32.317 -27.646 -5.317 1.00 20.41 H new ATOM 0 HG21 VAL B 38 30.105 -25.522 -4.976 1.00 31.42 H new ATOM 0 HG22 VAL B 38 31.845 -25.151 -4.916 1.00 31.42 H new ATOM 0 HG23 VAL B 38 30.791 -24.291 -6.063 1.00 31.42 H new ATOM 1226 N MET B 39 31.792 -26.719 -9.663 1.00 64.54 N ATOM 1227 CA MET B 39 31.810 -27.590 -10.832 1.00 75.40 C ATOM 1228 C MET B 39 33.153 -27.509 -11.549 1.00 62.05 C ATOM 1229 O MET B 39 33.686 -28.521 -12.008 1.00 45.22 O ATOM 1230 CB MET B 39 30.683 -27.212 -11.795 1.00 30.12 C ATOM 1231 CG MET B 39 29.352 -27.865 -11.459 1.00 4.42 C ATOM 1232 SD MET B 39 29.279 -29.593 -11.966 1.00 62.03 S ATOM 1233 CE MET B 39 28.579 -29.434 -13.608 1.00 5.11 C ATOM 0 H MET B 39 31.125 -25.950 -9.720 1.00 64.54 H new ATOM 0 HA MET B 39 31.659 -28.615 -10.492 1.00 75.40 H new ATOM 0 HB2 MET B 39 30.559 -26.129 -11.789 1.00 30.12 H new ATOM 0 HB3 MET B 39 30.971 -27.494 -12.808 1.00 30.12 H new ATOM 0 HG2 MET B 39 29.180 -27.798 -10.385 1.00 4.42 H new ATOM 0 HG3 MET B 39 28.548 -27.313 -11.946 1.00 4.42 H new ATOM 0 HE1 MET B 39 28.472 -30.422 -14.055 1.00 5.11 H new ATOM 0 HE2 MET B 39 27.601 -28.957 -13.542 1.00 5.11 H new ATOM 0 HE3 MET B 39 29.238 -28.826 -14.227 1.00 5.11 H new ATOM 1243 N LEU B 40 33.699 -26.301 -11.642 1.00 73.54 N ATOM 1244 CA LEU B 40 34.981 -26.089 -12.303 1.00 15.22 C ATOM 1245 C LEU B 40 36.090 -26.869 -11.604 1.00 21.40 C ATOM 1246 O LEU B 40 37.003 -27.386 -12.249 1.00 31.53 O ATOM 1247 CB LEU B 40 35.326 -24.598 -12.324 1.00 21.30 C ATOM 1248 CG LEU B 40 36.780 -24.251 -12.642 1.00 24.04 C ATOM 1249 CD1 LEU B 40 37.224 -24.933 -13.927 1.00 34.54 C ATOM 1250 CD2 LEU B 40 36.957 -22.743 -12.750 1.00 61.34 C ATOM 0 H LEU B 40 33.273 -25.453 -11.267 1.00 73.54 H new ATOM 0 HA LEU B 40 34.898 -26.451 -13.328 1.00 15.22 H new ATOM 0 HB2 LEU B 40 34.687 -24.108 -13.059 1.00 21.30 H new ATOM 0 HB3 LEU B 40 35.076 -24.174 -11.351 1.00 21.30 H new ATOM 0 HG LEU B 40 37.406 -24.614 -11.827 1.00 24.04 H new ATOM 0 HD11 LEU B 40 38.262 -24.674 -14.137 1.00 34.54 H new ATOM 0 HD12 LEU B 40 37.135 -26.014 -13.815 1.00 34.54 H new ATOM 0 HD13 LEU B 40 36.593 -24.601 -14.752 1.00 34.54 H new ATOM 0 HD21 LEU B 40 37.998 -22.514 -12.977 1.00 61.34 H new ATOM 0 HD22 LEU B 40 36.319 -22.358 -13.546 1.00 61.34 H new ATOM 0 HD23 LEU B 40 36.680 -22.276 -11.805 1.00 61.34 H new ATOM 1262 N LYS B 41 36.005 -26.952 -10.280 1.00 1.44 N ATOM 1263 CA LYS B 41 36.998 -27.671 -9.493 1.00 5.03 C ATOM 1264 C LYS B 41 36.688 -29.165 -9.460 1.00 34.12 C ATOM 1265 O LYS B 41 37.592 -29.995 -9.355 1.00 50.41 O ATOM 1266 CB LYS B 41 37.045 -27.119 -8.066 1.00 51.44 C ATOM 1267 CG LYS B 41 37.636 -25.723 -7.975 1.00 43.13 C ATOM 1268 CD LYS B 41 37.919 -25.330 -6.535 1.00 25.43 C ATOM 1269 CE LYS B 41 39.169 -24.470 -6.426 1.00 71.12 C ATOM 1270 NZ LYS B 41 40.407 -25.296 -6.386 1.00 71.01 N1+ ATOM 0 H LYS B 41 35.257 -26.529 -9.730 1.00 1.44 H new ATOM 0 HA LYS B 41 37.971 -27.529 -9.964 1.00 5.03 H new ATOM 0 HB2 LYS B 41 36.035 -27.104 -7.657 1.00 51.44 H new ATOM 0 HB3 LYS B 41 37.631 -27.794 -7.443 1.00 51.44 H new ATOM 0 HG2 LYS B 41 38.559 -25.679 -8.553 1.00 43.13 H new ATOM 0 HG3 LYS B 41 36.947 -25.005 -8.420 1.00 43.13 H new ATOM 0 HD2 LYS B 41 37.065 -24.786 -6.131 1.00 25.43 H new ATOM 0 HD3 LYS B 41 38.040 -26.228 -5.929 1.00 25.43 H new ATOM 0 HE2 LYS B 41 39.215 -23.787 -7.274 1.00 71.12 H new ATOM 0 HE3 LYS B 41 39.111 -23.858 -5.526 1.00 71.12 H new ATOM 0 HZ1 LYS B 41 41.237 -24.674 -6.312 1.00 71.01 H new ATOM 0 HZ2 LYS B 41 40.375 -25.930 -5.562 1.00 71.01 H new ATOM 0 HZ3 LYS B 41 40.475 -25.862 -7.256 1.00 71.01 H new ATOM 1284 N LYS B 42 35.407 -29.501 -9.552 1.00 21.54 N ATOM 1285 CA LYS B 42 34.977 -30.895 -9.536 1.00 4.10 C ATOM 1286 C LYS B 42 35.487 -31.635 -10.768 1.00 72.03 C ATOM 1287 O LYS B 42 36.102 -32.696 -10.657 1.00 14.21 O ATOM 1288 CB LYS B 42 33.450 -30.979 -9.474 1.00 31.40 C ATOM 1289 CG LYS B 42 32.915 -32.398 -9.552 1.00 25.41 C ATOM 1290 CD LYS B 42 32.053 -32.736 -8.349 1.00 31.35 C ATOM 1291 CE LYS B 42 31.389 -34.097 -8.503 1.00 35.24 C ATOM 1292 NZ LYS B 42 30.058 -33.992 -9.162 1.00 52.23 N1+ ATOM 0 H LYS B 42 34.647 -28.827 -9.639 1.00 21.54 H new ATOM 0 HA LYS B 42 35.397 -31.369 -8.649 1.00 4.10 H new ATOM 0 HB2 LYS B 42 33.107 -30.521 -8.546 1.00 31.40 H new ATOM 0 HB3 LYS B 42 33.029 -30.395 -10.293 1.00 31.40 H new ATOM 0 HG2 LYS B 42 32.331 -32.518 -10.464 1.00 25.41 H new ATOM 0 HG3 LYS B 42 33.748 -33.099 -9.612 1.00 25.41 H new ATOM 0 HD2 LYS B 42 32.666 -32.729 -7.448 1.00 31.35 H new ATOM 0 HD3 LYS B 42 31.289 -31.970 -8.221 1.00 31.35 H new ATOM 0 HE2 LYS B 42 32.034 -34.752 -9.089 1.00 35.24 H new ATOM 0 HE3 LYS B 42 31.273 -34.558 -7.522 1.00 35.24 H new ATOM 0 HZ1 LYS B 42 29.638 -34.939 -9.249 1.00 52.23 H new ATOM 0 HZ2 LYS B 42 29.434 -33.388 -8.590 1.00 52.23 H new ATOM 0 HZ3 LYS B 42 30.171 -33.575 -10.108 1.00 52.23 H new ATOM 1306 N LYS B 43 35.231 -31.070 -11.942 1.00 0.51 N ATOM 1307 CA LYS B 43 35.666 -31.674 -13.195 1.00 0.04 C ATOM 1308 C LYS B 43 37.175 -31.531 -13.373 1.00 33.40 C ATOM 1309 O LYS B 43 37.931 -32.467 -13.112 1.00 23.41 O ATOM 1310 CB LYS B 43 34.939 -31.027 -14.376 1.00 2.50 C ATOM 1311 CG LYS B 43 34.297 -32.031 -15.319 1.00 4.20 C ATOM 1312 CD LYS B 43 33.141 -32.759 -14.653 1.00 35.43 C ATOM 1313 CE LYS B 43 31.839 -32.547 -15.410 1.00 12.12 C ATOM 1314 NZ LYS B 43 30.652 -32.894 -14.581 1.00 4.51 N1+ ATOM 0 H LYS B 43 34.723 -30.192 -12.052 1.00 0.51 H new ATOM 0 HA LYS B 43 35.421 -32.736 -13.162 1.00 0.04 H new ATOM 0 HB2 LYS B 43 34.169 -30.356 -13.995 1.00 2.50 H new ATOM 0 HB3 LYS B 43 35.646 -30.415 -14.936 1.00 2.50 H new ATOM 0 HG2 LYS B 43 33.939 -31.517 -16.211 1.00 4.20 H new ATOM 0 HG3 LYS B 43 35.044 -32.754 -15.646 1.00 4.20 H new ATOM 0 HD2 LYS B 43 33.363 -33.825 -14.600 1.00 35.43 H new ATOM 0 HD3 LYS B 43 33.029 -32.405 -13.628 1.00 35.43 H new ATOM 0 HE2 LYS B 43 31.769 -31.507 -15.727 1.00 12.12 H new ATOM 0 HE3 LYS B 43 31.841 -33.156 -16.314 1.00 12.12 H new ATOM 0 HZ1 LYS B 43 29.785 -32.736 -15.133 1.00 4.51 H new ATOM 0 HZ2 LYS B 43 30.706 -33.894 -14.299 1.00 4.51 H new ATOM 0 HZ3 LYS B 43 30.635 -32.295 -13.731 1.00 4.51 H new TER 1328 LYS B 43