USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=13 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: A 4 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0639) USER MOD Set 1.2: B 2 SER OG : rot 180:sc= -0.694 USER MOD Single : A 1 GLY N :NH3+ 158:sc= -1.04 (180deg=-2.4!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 137:sc= -1.57 (180deg=-5.41!) USER MOD Single : A 31 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 36 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) 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 : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -148:sc= 0 (180deg=-0.0145) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=-0.057) 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= -0.295 K(o=-0.29,f=-2.1) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 MET CE :methyl 133:sc= -5.35! (180deg=-11.3!) USER MOD Single : B 31 THR OG1 : rot 80:sc= 0.98 USER MOD Single : B 36 THR OG1 : rot 85:sc= 1.25 USER MOD Single : B 39 MET CE :methyl 180:sc= 0 (180deg=0) 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 Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 11.25 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 14.02 C ATOM 3 C GLY A 1 3.495 0.493 -1.075 1.00 75.34 C ATOM 4 O GLY A 1 4.438 -0.129 -1.564 1.00 54.04 O ATOM 0 H1 GLY A 1 0.310 0.025 -0.202 1.00 11.25 H new ATOM 0 H2 GLY A 1 1.556 -0.861 0.537 1.00 11.25 H new ATOM 0 H3 GLY A 1 1.592 0.836 0.560 1.00 11.25 H new ATOM 0 HA2 GLY A 1 2.086 -1.008 -1.658 1.00 14.02 H new ATOM 0 HA3 GLY A 1 1.557 0.633 -1.971 1.00 14.02 H new ATOM 8 N SER A 2 3.651 1.615 -0.380 1.00 41.23 N ATOM 9 CA SER A 2 4.970 2.194 -0.149 1.00 62.12 C ATOM 10 C SER A 2 5.087 2.728 1.275 1.00 34.23 C ATOM 11 O SER A 2 5.746 2.126 2.122 1.00 74.10 O ATOM 12 CB SER A 2 5.239 3.318 -1.151 1.00 34.41 C ATOM 13 OG SER A 2 6.140 2.897 -2.160 1.00 64.14 O ATOM 0 H SER A 2 2.881 2.141 0.033 1.00 41.23 H new ATOM 0 HA SER A 2 5.714 1.409 -0.286 1.00 62.12 H new ATOM 0 HB2 SER A 2 4.301 3.636 -1.606 1.00 34.41 H new ATOM 0 HB3 SER A 2 5.650 4.183 -0.630 1.00 34.41 H new ATOM 0 HG SER A 2 6.294 3.633 -2.789 1.00 64.14 H new ATOM 19 N GLN A 3 4.442 3.862 1.530 1.00 64.11 N ATOM 20 CA GLN A 3 4.474 4.478 2.851 1.00 25.35 C ATOM 21 C GLN A 3 3.964 3.512 3.915 1.00 30.11 C ATOM 22 O GLN A 3 4.609 3.306 4.943 1.00 63.41 O ATOM 23 CB GLN A 3 3.634 5.757 2.862 1.00 12.24 C ATOM 24 CG GLN A 3 4.398 6.983 3.335 1.00 43.55 C ATOM 25 CD GLN A 3 4.555 8.028 2.248 1.00 25.24 C ATOM 26 OE1 GLN A 3 3.577 8.451 1.632 1.00 75.43 O ATOM 27 NE2 GLN A 3 5.791 8.450 2.007 1.00 11.53 N ATOM 0 H GLN A 3 3.891 4.372 0.840 1.00 64.11 H new ATOM 0 HA GLN A 3 5.509 4.730 3.081 1.00 25.35 H new ATOM 0 HB2 GLN A 3 3.255 5.941 1.857 1.00 12.24 H new ATOM 0 HB3 GLN A 3 2.768 5.608 3.507 1.00 12.24 H new ATOM 0 HG2 GLN A 3 3.879 7.424 4.186 1.00 43.55 H new ATOM 0 HG3 GLN A 3 5.384 6.679 3.686 1.00 43.55 H new ATOM 0 HE21 GLN A 3 6.573 8.072 2.542 1.00 11.53 H new ATOM 0 HE22 GLN A 3 5.959 9.152 1.287 1.00 11.53 H new ATOM 36 N LYS A 4 2.801 2.921 3.662 1.00 34.01 N ATOM 37 CA LYS A 4 2.203 1.975 4.597 1.00 71.41 C ATOM 38 C LYS A 4 3.193 0.875 4.966 1.00 4.12 C ATOM 39 O LYS A 4 3.351 0.536 6.139 1.00 62.12 O ATOM 40 CB LYS A 4 0.940 1.358 3.992 1.00 53.43 C ATOM 41 CG LYS A 4 0.376 0.206 4.806 1.00 71.34 C ATOM 42 CD LYS A 4 -1.124 0.064 4.606 1.00 70.40 C ATOM 43 CE LYS A 4 -1.557 -1.393 4.655 1.00 3.43 C ATOM 44 NZ LYS A 4 -2.834 -1.618 3.922 1.00 50.43 N1+ ATOM 0 H LYS A 4 2.253 3.081 2.816 1.00 34.01 H new ATOM 0 HA LYS A 4 1.936 2.518 5.504 1.00 71.41 H new ATOM 0 HB2 LYS A 4 0.178 2.131 3.896 1.00 53.43 H new ATOM 0 HB3 LYS A 4 1.164 1.005 2.985 1.00 53.43 H new ATOM 0 HG2 LYS A 4 0.872 -0.721 4.518 1.00 71.34 H new ATOM 0 HG3 LYS A 4 0.590 0.367 5.863 1.00 71.34 H new ATOM 0 HD2 LYS A 4 -1.650 0.627 5.377 1.00 70.40 H new ATOM 0 HD3 LYS A 4 -1.407 0.497 3.646 1.00 70.40 H new ATOM 0 HE2 LYS A 4 -0.776 -2.019 4.223 1.00 3.43 H new ATOM 0 HE3 LYS A 4 -1.675 -1.702 5.694 1.00 3.43 H new ATOM 0 HZ1 LYS A 4 -3.025 -2.639 3.862 1.00 50.43 H new ATOM 0 HZ2 LYS A 4 -3.612 -1.149 4.428 1.00 50.43 H new ATOM 0 HZ3 LYS A 4 -2.758 -1.224 2.963 1.00 50.43 H new ATOM 58 N LEU A 5 3.858 0.323 3.957 1.00 55.13 N ATOM 59 CA LEU A 5 4.835 -0.739 4.176 1.00 10.52 C ATOM 60 C LEU A 5 5.860 -0.328 5.228 1.00 65.40 C ATOM 61 O LEU A 5 6.379 -1.166 5.966 1.00 20.14 O ATOM 62 CB LEU A 5 5.544 -1.084 2.865 1.00 12.44 C ATOM 63 CG LEU A 5 5.056 -2.345 2.150 1.00 23.50 C ATOM 64 CD1 LEU A 5 5.194 -3.559 3.056 1.00 23.30 C ATOM 65 CD2 LEU A 5 3.614 -2.177 1.697 1.00 0.21 C ATOM 0 H LEU A 5 3.739 0.592 2.980 1.00 55.13 H new ATOM 0 HA LEU A 5 4.303 -1.619 4.538 1.00 10.52 H new ATOM 0 HB2 LEU A 5 5.437 -0.240 2.184 1.00 12.44 H new ATOM 0 HB3 LEU A 5 6.609 -1.195 3.069 1.00 12.44 H new ATOM 0 HG LEU A 5 5.677 -2.503 1.268 1.00 23.50 H new ATOM 0 HD11 LEU A 5 4.842 -4.447 2.531 1.00 23.30 H new ATOM 0 HD12 LEU A 5 6.241 -3.691 3.331 1.00 23.30 H new ATOM 0 HD13 LEU A 5 4.598 -3.410 3.957 1.00 23.30 H new ATOM 0 HD21 LEU A 5 3.284 -3.084 1.190 1.00 0.21 H new ATOM 0 HD22 LEU A 5 2.979 -1.994 2.564 1.00 0.21 H new ATOM 0 HD23 LEU A 5 3.544 -1.332 1.011 1.00 0.21 H new ATOM 77 N VAL A 6 6.145 0.969 5.294 1.00 34.42 N ATOM 78 CA VAL A 6 7.105 1.492 6.259 1.00 12.01 C ATOM 79 C VAL A 6 6.507 1.535 7.661 1.00 52.44 C ATOM 80 O VAL A 6 7.186 1.244 8.646 1.00 23.24 O ATOM 81 CB VAL A 6 7.576 2.906 5.871 1.00 34.54 C ATOM 82 CG1 VAL A 6 8.553 3.446 6.905 1.00 2.52 C ATOM 83 CG2 VAL A 6 8.205 2.896 4.486 1.00 33.41 C ATOM 0 H VAL A 6 5.725 1.676 4.691 1.00 34.42 H new ATOM 0 HA VAL A 6 7.961 0.817 6.252 1.00 12.01 H new ATOM 0 HB VAL A 6 6.708 3.565 5.847 1.00 34.54 H new ATOM 0 HG11 VAL A 6 8.875 4.446 6.614 1.00 2.52 H new ATOM 0 HG12 VAL A 6 8.065 3.491 7.878 1.00 2.52 H new ATOM 0 HG13 VAL A 6 9.420 2.789 6.964 1.00 2.52 H new ATOM 0 HG21 VAL A 6 8.532 3.903 4.228 1.00 33.41 H new ATOM 0 HG22 VAL A 6 9.063 2.223 4.481 1.00 33.41 H new ATOM 0 HG23 VAL A 6 7.471 2.554 3.756 1.00 33.41 H new ATOM 93 N PHE A 7 5.232 1.899 7.744 1.00 61.44 N ATOM 94 CA PHE A 7 4.542 1.980 9.026 1.00 32.21 C ATOM 95 C PHE A 7 4.676 0.671 9.800 1.00 61.02 C ATOM 96 O PHE A 7 4.832 0.672 11.021 1.00 45.44 O ATOM 97 CB PHE A 7 3.063 2.310 8.814 1.00 73.41 C ATOM 98 CG PHE A 7 2.394 2.877 10.033 1.00 71.22 C ATOM 99 CD1 PHE A 7 2.633 4.184 10.426 1.00 62.31 C ATOM 100 CD2 PHE A 7 1.527 2.103 10.787 1.00 4.31 C ATOM 101 CE1 PHE A 7 2.019 4.709 11.548 1.00 73.50 C ATOM 102 CE2 PHE A 7 0.910 2.622 11.909 1.00 31.22 C ATOM 103 CZ PHE A 7 1.157 3.927 12.290 1.00 75.42 C ATOM 0 H PHE A 7 4.655 2.143 6.939 1.00 61.44 H new ATOM 0 HA PHE A 7 5.005 2.776 9.609 1.00 32.21 H new ATOM 0 HB2 PHE A 7 2.972 3.023 7.995 1.00 73.41 H new ATOM 0 HB3 PHE A 7 2.537 1.405 8.509 1.00 73.41 H new ATOM 0 HD1 PHE A 7 3.307 4.800 9.849 1.00 62.31 H new ATOM 0 HD2 PHE A 7 1.331 1.082 10.494 1.00 4.31 H new ATOM 0 HE1 PHE A 7 2.214 5.729 11.843 1.00 73.50 H new ATOM 0 HE2 PHE A 7 0.235 2.008 12.488 1.00 31.22 H new ATOM 0 HZ PHE A 7 0.676 4.335 13.167 1.00 75.42 H new ATOM 113 N PHE A 8 4.614 -0.444 9.080 1.00 13.13 N ATOM 114 CA PHE A 8 4.727 -1.760 9.697 1.00 30.33 C ATOM 115 C PHE A 8 6.035 -1.887 10.473 1.00 54.30 C ATOM 116 O PHE A 8 6.108 -2.598 11.474 1.00 44.05 O ATOM 117 CB PHE A 8 4.644 -2.855 8.632 1.00 30.20 C ATOM 118 CG PHE A 8 3.288 -3.494 8.532 1.00 54.04 C ATOM 119 CD1 PHE A 8 2.153 -2.717 8.364 1.00 52.31 C ATOM 120 CD2 PHE A 8 3.149 -4.870 8.608 1.00 24.35 C ATOM 121 CE1 PHE A 8 0.904 -3.301 8.271 1.00 55.13 C ATOM 122 CE2 PHE A 8 1.902 -5.460 8.516 1.00 75.13 C ATOM 123 CZ PHE A 8 0.778 -4.675 8.349 1.00 21.42 C ATOM 0 H PHE A 8 4.486 -0.462 8.068 1.00 13.13 H new ATOM 0 HA PHE A 8 3.898 -1.878 10.395 1.00 30.33 H new ATOM 0 HB2 PHE A 8 4.908 -2.430 7.664 1.00 30.20 H new ATOM 0 HB3 PHE A 8 5.384 -3.624 8.855 1.00 30.20 H new ATOM 0 HD1 PHE A 8 2.246 -1.643 8.305 1.00 52.31 H new ATOM 0 HD2 PHE A 8 4.024 -5.489 8.741 1.00 24.35 H new ATOM 0 HE1 PHE A 8 0.027 -2.684 8.138 1.00 55.13 H new ATOM 0 HE2 PHE A 8 1.807 -6.534 8.575 1.00 75.13 H new ATOM 0 HZ PHE A 8 -0.197 -5.134 8.280 1.00 21.42 H new ATOM 133 N ALA A 9 7.064 -1.191 10.002 1.00 21.40 N ATOM 134 CA ALA A 9 8.369 -1.224 10.651 1.00 62.33 C ATOM 135 C ALA A 9 8.328 -0.517 12.002 1.00 0.01 C ATOM 136 O ALA A 9 9.051 -0.886 12.927 1.00 3.14 O ATOM 137 CB ALA A 9 9.421 -0.590 9.753 1.00 22.01 C ATOM 0 H ALA A 9 7.020 -0.598 9.174 1.00 21.40 H new ATOM 0 HA ALA A 9 8.635 -2.267 10.824 1.00 62.33 H new ATOM 0 HB1 ALA A 9 10.391 -0.621 10.250 1.00 22.01 H new ATOM 0 HB2 ALA A 9 9.477 -1.140 8.814 1.00 22.01 H new ATOM 0 HB3 ALA A 9 9.150 0.446 9.551 1.00 22.01 H new ATOM 143 N GLU A 10 7.479 0.501 12.106 1.00 15.33 N ATOM 144 CA GLU A 10 7.347 1.260 13.344 1.00 73.03 C ATOM 145 C GLU A 10 6.664 0.425 14.424 1.00 31.35 C ATOM 146 O GLU A 10 6.991 0.533 15.606 1.00 53.40 O ATOM 147 CB GLU A 10 6.552 2.544 13.099 1.00 4.11 C ATOM 148 CG GLU A 10 7.297 3.807 13.499 1.00 14.13 C ATOM 149 CD GLU A 10 8.008 4.460 12.330 1.00 72.25 C ATOM 150 OE1 GLU A 10 7.330 4.802 11.339 1.00 34.34 O ATOM 151 OE2 GLU A 10 9.243 4.628 12.406 1.00 53.30 O1- ATOM 0 H GLU A 10 6.873 0.819 11.349 1.00 15.33 H new ATOM 0 HA GLU A 10 8.348 1.521 13.688 1.00 73.03 H new ATOM 0 HB2 GLU A 10 6.293 2.605 12.042 1.00 4.11 H new ATOM 0 HB3 GLU A 10 5.616 2.493 13.655 1.00 4.11 H new ATOM 0 HG2 GLU A 10 6.593 4.517 13.934 1.00 14.13 H new ATOM 0 HG3 GLU A 10 8.025 3.565 14.273 1.00 14.13 H new ATOM 158 N ASP A 11 5.715 -0.407 14.008 1.00 31.13 N ATOM 159 CA ASP A 11 4.986 -1.261 14.939 1.00 4.32 C ATOM 160 C ASP A 11 5.761 -2.545 15.219 1.00 44.41 C ATOM 161 O ASP A 11 5.940 -2.935 16.373 1.00 63.24 O ATOM 162 CB ASP A 11 3.603 -1.597 14.379 1.00 22.41 C ATOM 163 CG ASP A 11 2.545 -1.681 15.461 1.00 42.04 C ATOM 164 OD1 ASP A 11 2.232 -0.635 16.067 1.00 35.13 O ATOM 165 OD2 ASP A 11 2.030 -2.793 15.702 1.00 31.23 O1- ATOM 0 H ASP A 11 5.433 -0.508 13.033 1.00 31.13 H new ATOM 0 HA ASP A 11 4.868 -0.718 15.876 1.00 4.32 H new ATOM 0 HB2 ASP A 11 3.315 -0.838 13.651 1.00 22.41 H new ATOM 0 HB3 ASP A 11 3.651 -2.547 13.847 1.00 22.41 H new ATOM 170 N VAL A 12 6.219 -3.198 14.156 1.00 72.41 N ATOM 171 CA VAL A 12 6.975 -4.438 14.287 1.00 13.34 C ATOM 172 C VAL A 12 8.473 -4.183 14.164 1.00 74.41 C ATOM 173 O VAL A 12 9.224 -4.362 15.122 1.00 11.12 O ATOM 174 CB VAL A 12 6.551 -5.468 13.224 1.00 54.10 C ATOM 175 CG1 VAL A 12 7.275 -6.788 13.442 1.00 70.11 C ATOM 176 CG2 VAL A 12 5.043 -5.668 13.247 1.00 40.34 C ATOM 0 H VAL A 12 6.080 -2.889 13.194 1.00 72.41 H new ATOM 0 HA VAL A 12 6.758 -4.839 15.277 1.00 13.34 H new ATOM 0 HB VAL A 12 6.829 -5.086 12.242 1.00 54.10 H new ATOM 0 HG11 VAL A 12 6.963 -7.504 12.682 1.00 70.11 H new ATOM 0 HG12 VAL A 12 8.351 -6.629 13.371 1.00 70.11 H new ATOM 0 HG13 VAL A 12 7.030 -7.178 14.430 1.00 70.11 H new ATOM 0 HG21 VAL A 12 4.761 -6.399 12.489 1.00 40.34 H new ATOM 0 HG22 VAL A 12 4.739 -6.028 14.230 1.00 40.34 H new ATOM 0 HG23 VAL A 12 4.547 -4.720 13.039 1.00 40.34 H new ATOM 186 N GLY A 13 8.902 -3.765 12.977 1.00 32.11 N ATOM 187 CA GLY A 13 10.309 -3.492 12.750 1.00 10.34 C ATOM 188 C GLY A 13 11.144 -4.757 12.704 1.00 31.51 C ATOM 189 O GLY A 13 12.354 -4.718 12.930 1.00 53.01 O ATOM 0 H GLY A 13 8.300 -3.611 12.168 1.00 32.11 H new ATOM 0 HA2 GLY A 13 10.424 -2.950 11.811 1.00 10.34 H new ATOM 0 HA3 GLY A 13 10.682 -2.842 13.541 1.00 10.34 H new ATOM 193 N SER A 14 10.497 -5.881 12.413 1.00 64.01 N ATOM 194 CA SER A 14 11.188 -7.164 12.344 1.00 72.24 C ATOM 195 C SER A 14 10.931 -7.847 11.004 1.00 14.33 C ATOM 196 O SER A 14 11.084 -9.061 10.875 1.00 12.44 O ATOM 197 CB SER A 14 10.735 -8.073 13.488 1.00 33.22 C ATOM 198 OG SER A 14 11.234 -7.613 14.732 1.00 4.23 O ATOM 0 H SER A 14 9.496 -5.930 12.221 1.00 64.01 H new ATOM 0 HA SER A 14 12.258 -6.979 12.439 1.00 72.24 H new ATOM 0 HB2 SER A 14 9.646 -8.108 13.520 1.00 33.22 H new ATOM 0 HB3 SER A 14 11.081 -9.091 13.307 1.00 33.22 H new ATOM 0 HG SER A 14 10.929 -8.209 15.447 1.00 4.23 H new ATOM 204 N ASN A 15 10.539 -7.057 10.010 1.00 13.04 N ATOM 205 CA ASN A 15 10.260 -7.585 8.679 1.00 44.44 C ATOM 206 C ASN A 15 11.222 -7.001 7.649 1.00 23.11 C ATOM 207 O ASN A 15 11.774 -7.724 6.819 1.00 15.45 O ATOM 208 CB ASN A 15 8.816 -7.275 8.277 1.00 40.44 C ATOM 209 CG ASN A 15 8.385 -5.883 8.699 1.00 52.54 C ATOM 210 OD1 ASN A 15 8.724 -4.893 8.051 1.00 71.43 O ATOM 211 ND2 ASN A 15 7.632 -5.803 9.790 1.00 61.13 N ATOM 0 H ASN A 15 10.407 -6.050 10.100 1.00 13.04 H new ATOM 0 HA ASN A 15 10.399 -8.666 8.708 1.00 44.44 H new ATOM 0 HB2 ASN A 15 8.714 -7.372 7.196 1.00 40.44 H new ATOM 0 HB3 ASN A 15 8.150 -8.011 8.728 1.00 40.44 H new ATOM 0 HD21 ASN A 15 7.310 -4.894 10.122 1.00 61.13 H new ATOM 0 HD22 ASN A 15 7.375 -6.651 10.296 1.00 61.13 H new ATOM 218 N LYS A 16 11.420 -5.689 7.710 1.00 61.12 N ATOM 219 CA LYS A 16 12.318 -5.006 6.785 1.00 50.41 C ATOM 220 C LYS A 16 13.686 -5.680 6.758 1.00 20.34 C ATOM 221 O LYS A 16 14.376 -5.665 5.739 1.00 44.32 O ATOM 222 CB LYS A 16 12.468 -3.536 7.180 1.00 21.41 C ATOM 223 CG LYS A 16 12.772 -3.330 8.654 1.00 24.12 C ATOM 224 CD LYS A 16 13.040 -1.868 8.969 1.00 0.21 C ATOM 225 CE LYS A 16 14.479 -1.648 9.411 1.00 50.40 C ATOM 226 NZ LYS A 16 14.722 -2.163 10.787 1.00 35.21 N1+ ATOM 0 H LYS A 16 10.971 -5.076 8.391 1.00 61.12 H new ATOM 0 HA LYS A 16 11.885 -5.064 5.786 1.00 50.41 H new ATOM 0 HB2 LYS A 16 13.266 -3.089 6.587 1.00 21.41 H new ATOM 0 HB3 LYS A 16 11.549 -3.006 6.930 1.00 21.41 H new ATOM 0 HG2 LYS A 16 11.933 -3.684 9.252 1.00 24.12 H new ATOM 0 HG3 LYS A 16 13.639 -3.928 8.935 1.00 24.12 H new ATOM 0 HD2 LYS A 16 12.832 -1.261 8.088 1.00 0.21 H new ATOM 0 HD3 LYS A 16 12.362 -1.534 9.754 1.00 0.21 H new ATOM 0 HE2 LYS A 16 15.153 -2.145 8.713 1.00 50.40 H new ATOM 0 HE3 LYS A 16 14.711 -0.584 9.375 1.00 50.40 H new ATOM 0 HZ1 LYS A 16 15.714 -1.994 11.051 1.00 35.21 H new ATOM 0 HZ2 LYS A 16 14.097 -1.671 11.457 1.00 35.21 H new ATOM 0 HZ3 LYS A 16 14.525 -3.184 10.815 1.00 35.21 H new ATOM 240 N GLY A 17 14.072 -6.270 7.885 1.00 3.15 N ATOM 241 CA GLY A 17 15.356 -6.941 7.968 1.00 12.24 C ATOM 242 C GLY A 17 15.450 -8.131 7.033 1.00 32.33 C ATOM 243 O GLY A 17 16.519 -8.426 6.499 1.00 73.32 O ATOM 0 H GLY A 17 13.519 -6.295 8.742 1.00 3.15 H new ATOM 0 HA2 GLY A 17 16.149 -6.232 7.730 1.00 12.24 H new ATOM 0 HA3 GLY A 17 15.523 -7.274 8.992 1.00 12.24 H new ATOM 247 N ALA A 18 14.329 -8.817 6.836 1.00 53.03 N ATOM 248 CA ALA A 18 14.289 -9.980 5.959 1.00 61.03 C ATOM 249 C ALA A 18 14.424 -9.570 4.497 1.00 74.44 C ATOM 250 O ALA A 18 15.285 -10.078 3.778 1.00 34.51 O ATOM 251 CB ALA A 18 13.000 -10.759 6.174 1.00 63.03 C ATOM 0 H ALA A 18 13.436 -8.587 7.272 1.00 53.03 H new ATOM 0 HA ALA A 18 15.134 -10.622 6.209 1.00 61.03 H new ATOM 0 HB1 ALA A 18 12.984 -11.625 5.512 1.00 63.03 H new ATOM 0 HB2 ALA A 18 12.945 -11.093 7.210 1.00 63.03 H new ATOM 0 HB3 ALA A 18 12.146 -10.118 5.954 1.00 63.03 H new ATOM 257 N ILE A 19 13.569 -8.651 4.064 1.00 42.43 N ATOM 258 CA ILE A 19 13.594 -8.173 2.687 1.00 61.23 C ATOM 259 C ILE A 19 14.934 -7.526 2.353 1.00 4.34 C ATOM 260 O ILE A 19 15.612 -7.930 1.408 1.00 31.10 O ATOM 261 CB ILE A 19 12.466 -7.158 2.422 1.00 5.04 C ATOM 262 CG1 ILE A 19 11.107 -7.773 2.761 1.00 33.14 C ATOM 263 CG2 ILE A 19 12.499 -6.696 0.973 1.00 12.50 C ATOM 264 CD1 ILE A 19 10.757 -8.973 1.908 1.00 34.32 C ATOM 0 H ILE A 19 12.850 -8.222 4.647 1.00 42.43 H new ATOM 0 HA ILE A 19 13.445 -9.044 2.049 1.00 61.23 H new ATOM 0 HB ILE A 19 12.620 -6.290 3.063 1.00 5.04 H new ATOM 0 HG12 ILE A 19 11.103 -8.069 3.810 1.00 33.14 H new ATOM 0 HG13 ILE A 19 10.334 -7.014 2.641 1.00 33.14 H new ATOM 0 HG21 ILE A 19 11.696 -5.979 0.801 1.00 12.50 H new ATOM 0 HG22 ILE A 19 13.458 -6.223 0.764 1.00 12.50 H new ATOM 0 HG23 ILE A 19 12.366 -7.554 0.314 1.00 12.50 H new ATOM 0 HD11 ILE A 19 9.781 -9.357 2.204 1.00 34.32 H new ATOM 0 HD12 ILE A 19 10.728 -8.678 0.859 1.00 34.32 H new ATOM 0 HD13 ILE A 19 11.509 -9.749 2.046 1.00 34.32 H new ATOM 276 N ILE A 20 15.310 -6.521 3.137 1.00 30.40 N ATOM 277 CA ILE A 20 16.571 -5.820 2.927 1.00 44.42 C ATOM 278 C ILE A 20 17.752 -6.782 2.992 1.00 63.42 C ATOM 279 O ILE A 20 18.610 -6.789 2.111 1.00 73.05 O ATOM 280 CB ILE A 20 16.774 -4.703 3.968 1.00 2.11 C ATOM 281 CG1 ILE A 20 15.639 -3.681 3.880 1.00 52.20 C ATOM 282 CG2 ILE A 20 18.121 -4.026 3.762 1.00 31.43 C ATOM 283 CD1 ILE A 20 15.595 -2.939 2.562 1.00 64.21 C ATOM 0 H ILE A 20 14.760 -6.174 3.923 1.00 30.40 H new ATOM 0 HA ILE A 20 16.523 -5.375 1.933 1.00 44.42 H new ATOM 0 HB ILE A 20 16.761 -5.147 4.963 1.00 2.11 H new ATOM 0 HG12 ILE A 20 14.688 -4.192 4.032 1.00 52.20 H new ATOM 0 HG13 ILE A 20 15.747 -2.960 4.690 1.00 52.20 H new ATOM 0 HG21 ILE A 20 18.250 -3.239 4.505 1.00 31.43 H new ATOM 0 HG22 ILE A 20 18.918 -4.761 3.870 1.00 31.43 H new ATOM 0 HG23 ILE A 20 18.161 -3.592 2.763 1.00 31.43 H new ATOM 0 HD11 ILE A 20 14.766 -2.231 2.570 1.00 64.21 H new ATOM 0 HD12 ILE A 20 16.531 -2.400 2.417 1.00 64.21 H new ATOM 0 HD13 ILE A 20 15.456 -3.651 1.748 1.00 64.21 H new ATOM 295 N GLY A 21 17.789 -7.595 4.044 1.00 22.54 N ATOM 296 CA GLY A 21 18.868 -8.552 4.204 1.00 44.04 C ATOM 297 C GLY A 21 18.953 -9.530 3.050 1.00 53.33 C ATOM 298 O GLY A 21 20.025 -10.056 2.749 1.00 64.43 O ATOM 0 H GLY A 21 17.091 -7.608 4.788 1.00 22.54 H new ATOM 0 HA2 GLY A 21 19.813 -8.017 4.293 1.00 44.04 H new ATOM 0 HA3 GLY A 21 18.725 -9.103 5.133 1.00 44.04 H new ATOM 302 N LEU A 22 17.819 -9.777 2.402 1.00 15.25 N ATOM 303 CA LEU A 22 17.769 -10.701 1.274 1.00 52.43 C ATOM 304 C LEU A 22 18.411 -10.085 0.036 1.00 55.44 C ATOM 305 O LEU A 22 19.253 -10.705 -0.613 1.00 50.40 O ATOM 306 CB LEU A 22 16.320 -11.089 0.972 1.00 21.11 C ATOM 307 CG LEU A 22 15.876 -12.465 1.469 1.00 70.30 C ATOM 308 CD1 LEU A 22 14.378 -12.643 1.279 1.00 35.13 C ATOM 309 CD2 LEU A 22 16.641 -13.565 0.748 1.00 11.34 C ATOM 0 H LEU A 22 16.923 -9.351 2.638 1.00 15.25 H new ATOM 0 HA LEU A 22 18.330 -11.596 1.544 1.00 52.43 H new ATOM 0 HB2 LEU A 22 15.665 -10.337 1.412 1.00 21.11 H new ATOM 0 HB3 LEU A 22 16.172 -11.049 -0.107 1.00 21.11 H new ATOM 0 HG LEU A 22 16.097 -12.534 2.534 1.00 70.30 H new ATOM 0 HD11 LEU A 22 14.080 -13.628 1.638 1.00 35.13 H new ATOM 0 HD12 LEU A 22 13.846 -11.876 1.841 1.00 35.13 H new ATOM 0 HD13 LEU A 22 14.132 -12.553 0.221 1.00 35.13 H new ATOM 0 HD21 LEU A 22 16.312 -14.537 1.115 1.00 11.34 H new ATOM 0 HD22 LEU A 22 16.451 -13.498 -0.323 1.00 11.34 H new ATOM 0 HD23 LEU A 22 17.708 -13.449 0.936 1.00 11.34 H new ATOM 321 N MET A 23 18.009 -8.859 -0.285 1.00 71.42 N ATOM 322 CA MET A 23 18.548 -8.157 -1.444 1.00 34.30 C ATOM 323 C MET A 23 20.004 -7.764 -1.212 1.00 73.54 C ATOM 324 O MET A 23 20.839 -7.878 -2.110 1.00 1.21 O ATOM 325 CB MET A 23 17.713 -6.912 -1.747 1.00 74.21 C ATOM 326 CG MET A 23 17.626 -5.940 -0.582 1.00 4.22 C ATOM 327 SD MET A 23 16.533 -4.547 -0.920 1.00 2.32 S ATOM 328 CE MET A 23 14.988 -5.396 -1.233 1.00 22.53 C ATOM 0 H MET A 23 17.312 -8.332 0.241 1.00 71.42 H new ATOM 0 HA MET A 23 18.504 -8.831 -2.299 1.00 34.30 H new ATOM 0 HB2 MET A 23 18.142 -6.398 -2.607 1.00 74.21 H new ATOM 0 HB3 MET A 23 16.706 -7.220 -2.029 1.00 74.21 H new ATOM 0 HG2 MET A 23 17.271 -6.469 0.302 1.00 4.22 H new ATOM 0 HG3 MET A 23 18.623 -5.566 -0.350 1.00 4.22 H new ATOM 0 HE1 MET A 23 14.175 -4.868 -0.734 1.00 22.53 H new ATOM 0 HE2 MET A 23 14.798 -5.422 -2.306 1.00 22.53 H new ATOM 0 HE3 MET A 23 15.049 -6.415 -0.850 1.00 22.53 H new ATOM 338 N VAL A 24 20.301 -7.299 -0.003 1.00 51.45 N ATOM 339 CA VAL A 24 21.656 -6.889 0.346 1.00 14.03 C ATOM 340 C VAL A 24 22.595 -8.088 0.404 1.00 22.43 C ATOM 341 O VAL A 24 23.650 -8.095 -0.229 1.00 71.34 O ATOM 342 CB VAL A 24 21.689 -6.158 1.702 1.00 53.33 C ATOM 343 CG1 VAL A 24 23.115 -5.775 2.068 1.00 61.54 C ATOM 344 CG2 VAL A 24 20.791 -4.931 1.668 1.00 2.15 C ATOM 0 H VAL A 24 19.622 -7.197 0.751 1.00 51.45 H new ATOM 0 HA VAL A 24 21.992 -6.206 -0.435 1.00 14.03 H new ATOM 0 HB VAL A 24 21.312 -6.835 2.469 1.00 53.33 H new ATOM 0 HG11 VAL A 24 23.118 -5.260 3.029 1.00 61.54 H new ATOM 0 HG12 VAL A 24 23.727 -6.674 2.137 1.00 61.54 H new ATOM 0 HG13 VAL A 24 23.523 -5.116 1.302 1.00 61.54 H new ATOM 0 HG21 VAL A 24 20.827 -4.427 2.634 1.00 2.15 H new ATOM 0 HG22 VAL A 24 21.136 -4.249 0.890 1.00 2.15 H new ATOM 0 HG23 VAL A 24 19.766 -5.236 1.455 1.00 2.15 H new ATOM 354 N GLY A 25 22.204 -9.103 1.169 1.00 44.21 N ATOM 355 CA GLY A 25 23.022 -10.295 1.296 1.00 65.53 C ATOM 356 C GLY A 25 23.265 -10.975 -0.037 1.00 70.22 C ATOM 357 O GLY A 25 24.375 -11.426 -0.318 1.00 53.54 O ATOM 0 H GLY A 25 21.335 -9.121 1.703 1.00 44.21 H new ATOM 0 HA2 GLY A 25 23.979 -10.029 1.745 1.00 65.53 H new ATOM 0 HA3 GLY A 25 22.535 -10.996 1.975 1.00 65.53 H new ATOM 361 N GLY A 26 22.224 -11.052 -0.859 1.00 54.21 N ATOM 362 CA GLY A 26 22.349 -11.686 -2.159 1.00 74.34 C ATOM 363 C GLY A 26 23.348 -10.980 -3.054 1.00 71.24 C ATOM 364 O GLY A 26 24.225 -11.615 -3.641 1.00 23.22 O ATOM 0 H GLY A 26 21.295 -10.687 -0.648 1.00 54.21 H new ATOM 0 HA2 GLY A 26 22.655 -12.724 -2.026 1.00 74.34 H new ATOM 0 HA3 GLY A 26 21.375 -11.701 -2.648 1.00 74.34 H new ATOM 368 N VAL A 27 23.215 -9.662 -3.162 1.00 63.41 N ATOM 369 CA VAL A 27 24.113 -8.868 -3.993 1.00 52.04 C ATOM 370 C VAL A 27 25.549 -8.954 -3.488 1.00 11.22 C ATOM 371 O VAL A 27 26.486 -9.110 -4.271 1.00 74.34 O ATOM 372 CB VAL A 27 23.681 -7.390 -4.032 1.00 40.03 C ATOM 373 CG1 VAL A 27 24.648 -6.574 -4.877 1.00 65.31 C ATOM 374 CG2 VAL A 27 22.261 -7.264 -4.561 1.00 61.31 C ATOM 0 H VAL A 27 22.494 -9.121 -2.684 1.00 63.41 H new ATOM 0 HA VAL A 27 24.060 -9.281 -5.000 1.00 52.04 H new ATOM 0 HB VAL A 27 23.702 -6.996 -3.016 1.00 40.03 H new ATOM 0 HG11 VAL A 27 24.327 -5.532 -4.893 1.00 65.31 H new ATOM 0 HG12 VAL A 27 25.649 -6.639 -4.450 1.00 65.31 H new ATOM 0 HG13 VAL A 27 24.662 -6.965 -5.894 1.00 65.31 H new ATOM 0 HG21 VAL A 27 21.972 -6.213 -4.582 1.00 61.31 H new ATOM 0 HG22 VAL A 27 22.211 -7.674 -5.570 1.00 61.31 H new ATOM 0 HG23 VAL A 27 21.581 -7.814 -3.911 1.00 61.31 H new ATOM 384 N VAL A 28 25.715 -8.850 -2.173 1.00 74.11 N ATOM 385 CA VAL A 28 27.037 -8.917 -1.562 1.00 14.13 C ATOM 386 C VAL A 28 27.671 -10.288 -1.773 1.00 43.43 C ATOM 387 O VAL A 28 28.729 -10.405 -2.393 1.00 21.32 O ATOM 388 CB VAL A 28 26.973 -8.620 -0.052 1.00 1.13 C ATOM 389 CG1 VAL A 28 28.352 -8.751 0.577 1.00 52.33 C ATOM 390 CG2 VAL A 28 26.395 -7.235 0.194 1.00 14.12 C ATOM 0 H VAL A 28 24.950 -8.719 -1.511 1.00 74.11 H new ATOM 0 HA VAL A 28 27.650 -8.158 -2.048 1.00 14.13 H new ATOM 0 HB VAL A 28 26.315 -9.352 0.417 1.00 1.13 H new ATOM 0 HG11 VAL A 28 28.287 -8.538 1.644 1.00 52.33 H new ATOM 0 HG12 VAL A 28 28.723 -9.766 0.432 1.00 52.33 H new ATOM 0 HG13 VAL A 28 29.035 -8.044 0.106 1.00 52.33 H new ATOM 0 HG21 VAL A 28 26.357 -7.042 1.266 1.00 14.12 H new ATOM 0 HG22 VAL A 28 27.025 -6.487 -0.287 1.00 14.12 H new ATOM 0 HG23 VAL A 28 25.388 -7.182 -0.220 1.00 14.12 H new ATOM 400 N ILE A 29 27.018 -11.322 -1.254 1.00 31.43 N ATOM 401 CA ILE A 29 27.517 -12.685 -1.387 1.00 40.45 C ATOM 402 C ILE A 29 27.801 -13.026 -2.846 1.00 14.33 C ATOM 403 O ILE A 29 28.843 -13.596 -3.168 1.00 13.41 O ATOM 404 CB ILE A 29 26.517 -13.709 -0.818 1.00 22.32 C ATOM 405 CG1 ILE A 29 26.241 -13.418 0.659 1.00 13.41 C ATOM 406 CG2 ILE A 29 27.048 -15.123 -0.995 1.00 63.04 C ATOM 407 CD1 ILE A 29 24.967 -14.051 1.172 1.00 62.43 C ATOM 0 H ILE A 29 26.142 -11.242 -0.737 1.00 31.43 H new ATOM 0 HA ILE A 29 28.444 -12.739 -0.816 1.00 40.45 H new ATOM 0 HB ILE A 29 25.579 -13.623 -1.367 1.00 22.32 H new ATOM 0 HG12 ILE A 29 27.081 -13.777 1.255 1.00 13.41 H new ATOM 0 HG13 ILE A 29 26.185 -12.339 0.804 1.00 13.41 H new ATOM 0 HG21 ILE A 29 26.330 -15.835 -0.588 1.00 63.04 H new ATOM 0 HG22 ILE A 29 27.198 -15.325 -2.056 1.00 63.04 H new ATOM 0 HG23 ILE A 29 27.997 -15.224 -0.469 1.00 63.04 H new ATOM 0 HD11 ILE A 29 24.836 -13.803 2.225 1.00 62.43 H new ATOM 0 HD12 ILE A 29 24.118 -13.674 0.602 1.00 62.43 H new ATOM 0 HD13 ILE A 29 25.028 -15.133 1.059 1.00 62.43 H new ATOM 419 N ALA A 30 26.869 -12.671 -3.724 1.00 2.53 N ATOM 420 CA ALA A 30 27.021 -12.936 -5.149 1.00 20.44 C ATOM 421 C ALA A 30 28.359 -12.417 -5.664 1.00 61.53 C ATOM 422 O ALA A 30 29.156 -13.171 -6.224 1.00 22.11 O ATOM 423 CB ALA A 30 25.874 -12.309 -5.928 1.00 1.24 C ATOM 0 H ALA A 30 26.000 -12.199 -3.473 1.00 2.53 H new ATOM 0 HA ALA A 30 26.999 -14.016 -5.297 1.00 20.44 H new ATOM 0 HB1 ALA A 30 26.001 -12.515 -6.991 1.00 1.24 H new ATOM 0 HB2 ALA A 30 24.929 -12.731 -5.587 1.00 1.24 H new ATOM 0 HB3 ALA A 30 25.870 -11.231 -5.765 1.00 1.24 H new ATOM 429 N THR A 31 28.601 -11.124 -5.471 1.00 63.13 N ATOM 430 CA THR A 31 29.842 -10.503 -5.918 1.00 61.04 C ATOM 431 C THR A 31 31.053 -11.181 -5.288 1.00 61.13 C ATOM 432 O THR A 31 32.061 -11.418 -5.953 1.00 5.41 O ATOM 433 CB THR A 31 29.873 -9.001 -5.578 1.00 40.33 C ATOM 434 OG1 THR A 31 28.610 -8.403 -5.888 1.00 32.33 O ATOM 435 CG2 THR A 31 30.977 -8.295 -6.350 1.00 65.53 C ATOM 0 H THR A 31 27.954 -10.486 -5.008 1.00 63.13 H new ATOM 0 HA THR A 31 29.884 -10.623 -7.001 1.00 61.04 H new ATOM 0 HB THR A 31 30.072 -8.896 -4.512 1.00 40.33 H new ATOM 0 HG1 THR A 31 27.972 -8.594 -5.169 1.00 32.33 H new ATOM 0 HG21 THR A 31 30.980 -7.236 -6.094 1.00 65.53 H new ATOM 0 HG22 THR A 31 31.940 -8.734 -6.090 1.00 65.53 H new ATOM 0 HG23 THR A 31 30.803 -8.409 -7.420 1.00 65.53 H new ATOM 443 N VAL A 32 30.948 -11.491 -3.999 1.00 63.42 N ATOM 444 CA VAL A 32 32.035 -12.144 -3.279 1.00 5.54 C ATOM 445 C VAL A 32 32.512 -13.390 -4.016 1.00 54.05 C ATOM 446 O VAL A 32 33.707 -13.555 -4.267 1.00 5.41 O ATOM 447 CB VAL A 32 31.606 -12.537 -1.853 1.00 73.24 C ATOM 448 CG1 VAL A 32 32.743 -13.242 -1.129 1.00 21.44 C ATOM 449 CG2 VAL A 32 31.149 -11.311 -1.077 1.00 21.44 C ATOM 0 H VAL A 32 30.121 -11.300 -3.433 1.00 63.42 H new ATOM 0 HA VAL A 32 32.853 -11.426 -3.220 1.00 5.54 H new ATOM 0 HB VAL A 32 30.766 -13.229 -1.923 1.00 73.24 H new ATOM 0 HG11 VAL A 32 32.422 -13.512 -0.123 1.00 21.44 H new ATOM 0 HG12 VAL A 32 33.019 -14.143 -1.676 1.00 21.44 H new ATOM 0 HG13 VAL A 32 33.604 -12.576 -1.068 1.00 21.44 H new ATOM 0 HG21 VAL A 32 30.850 -11.607 -0.072 1.00 21.44 H new ATOM 0 HG22 VAL A 32 31.967 -10.594 -1.015 1.00 21.44 H new ATOM 0 HG23 VAL A 32 30.302 -10.852 -1.587 1.00 21.44 H new ATOM 459 N ILE A 33 31.573 -14.264 -4.360 1.00 72.13 N ATOM 460 CA ILE A 33 31.898 -15.495 -5.070 1.00 54.42 C ATOM 461 C ILE A 33 32.481 -15.197 -6.447 1.00 4.00 C ATOM 462 O ILE A 33 33.372 -15.902 -6.921 1.00 21.31 O ATOM 463 CB ILE A 33 30.659 -16.395 -5.233 1.00 52.12 C ATOM 464 CG1 ILE A 33 30.014 -16.663 -3.871 1.00 21.12 C ATOM 465 CG2 ILE A 33 31.039 -17.702 -5.912 1.00 62.10 C ATOM 466 CD1 ILE A 33 30.937 -17.353 -2.891 1.00 11.23 C ATOM 0 H ILE A 33 30.580 -14.143 -4.159 1.00 72.13 H new ATOM 0 HA ILE A 33 32.641 -16.019 -4.469 1.00 54.42 H new ATOM 0 HB ILE A 33 29.934 -15.879 -5.862 1.00 52.12 H new ATOM 0 HG12 ILE A 33 29.683 -15.717 -3.442 1.00 21.12 H new ATOM 0 HG13 ILE A 33 29.124 -17.277 -4.014 1.00 21.12 H new ATOM 0 HG21 ILE A 33 30.153 -18.327 -6.020 1.00 62.10 H new ATOM 0 HG22 ILE A 33 31.457 -17.492 -6.896 1.00 62.10 H new ATOM 0 HG23 ILE A 33 31.780 -18.224 -5.307 1.00 62.10 H new ATOM 0 HD11 ILE A 33 30.414 -17.511 -1.948 1.00 11.23 H new ATOM 0 HD12 ILE A 33 31.248 -18.315 -3.299 1.00 11.23 H new ATOM 0 HD13 ILE A 33 31.815 -16.731 -2.719 1.00 11.23 H new ATOM 478 N VAL A 34 31.973 -14.147 -7.085 1.00 14.21 N ATOM 479 CA VAL A 34 32.444 -13.754 -8.407 1.00 63.22 C ATOM 480 C VAL A 34 33.911 -13.338 -8.366 1.00 1.31 C ATOM 481 O VAL A 34 34.738 -13.869 -9.108 1.00 61.34 O ATOM 482 CB VAL A 34 31.609 -12.593 -8.979 1.00 45.31 C ATOM 483 CG1 VAL A 34 32.058 -12.258 -10.393 1.00 71.33 C ATOM 484 CG2 VAL A 34 30.128 -12.938 -8.948 1.00 44.42 C ATOM 0 H VAL A 34 31.235 -13.553 -6.707 1.00 14.21 H new ATOM 0 HA VAL A 34 32.333 -14.624 -9.054 1.00 63.22 H new ATOM 0 HB VAL A 34 31.767 -11.713 -8.356 1.00 45.31 H new ATOM 0 HG11 VAL A 34 31.457 -11.436 -10.780 1.00 71.33 H new ATOM 0 HG12 VAL A 34 33.108 -11.966 -10.382 1.00 71.33 H new ATOM 0 HG13 VAL A 34 31.931 -13.132 -11.032 1.00 71.33 H new ATOM 0 HG21 VAL A 34 29.552 -12.107 -9.356 1.00 44.42 H new ATOM 0 HG22 VAL A 34 29.950 -13.831 -9.547 1.00 44.42 H new ATOM 0 HG23 VAL A 34 29.819 -13.123 -7.919 1.00 44.42 H new ATOM 494 N ILE A 35 34.226 -12.387 -7.494 1.00 52.04 N ATOM 495 CA ILE A 35 35.593 -11.901 -7.355 1.00 3.11 C ATOM 496 C ILE A 35 36.547 -13.037 -7.005 1.00 22.43 C ATOM 497 O ILE A 35 37.671 -13.097 -7.506 1.00 24.13 O ATOM 498 CB ILE A 35 35.695 -10.808 -6.274 1.00 71.33 C ATOM 499 CG1 ILE A 35 34.727 -9.664 -6.582 1.00 54.20 C ATOM 500 CG2 ILE A 35 37.122 -10.290 -6.178 1.00 4.32 C ATOM 501 CD1 ILE A 35 34.611 -8.653 -5.463 1.00 4.51 C ATOM 0 H ILE A 35 33.553 -11.938 -6.873 1.00 52.04 H new ATOM 0 HA ILE A 35 35.876 -11.476 -8.318 1.00 3.11 H new ATOM 0 HB ILE A 35 35.421 -11.242 -5.312 1.00 71.33 H new ATOM 0 HG12 ILE A 35 35.055 -9.155 -7.488 1.00 54.20 H new ATOM 0 HG13 ILE A 35 33.741 -10.079 -6.789 1.00 54.20 H new ATOM 0 HG21 ILE A 35 37.178 -9.518 -5.410 1.00 4.32 H new ATOM 0 HG22 ILE A 35 37.790 -11.111 -5.917 1.00 4.32 H new ATOM 0 HG23 ILE A 35 37.422 -9.869 -7.138 1.00 4.32 H new ATOM 0 HD11 ILE A 35 33.908 -7.871 -5.751 1.00 4.51 H new ATOM 0 HD12 ILE A 35 34.253 -9.149 -4.561 1.00 4.51 H new ATOM 0 HD13 ILE A 35 35.588 -8.210 -5.270 1.00 4.51 H new ATOM 513 N THR A 36 36.092 -13.940 -6.141 1.00 23.30 N ATOM 514 CA THR A 36 36.905 -15.075 -5.723 1.00 12.33 C ATOM 515 C THR A 36 37.208 -15.996 -6.899 1.00 64.40 C ATOM 516 O THR A 36 38.312 -16.530 -7.014 1.00 3.32 O ATOM 517 CB THR A 36 36.207 -15.888 -4.616 1.00 2.02 C ATOM 518 OG1 THR A 36 35.891 -15.037 -3.509 1.00 42.24 O ATOM 519 CG2 THR A 36 37.092 -17.033 -4.147 1.00 24.42 C ATOM 0 H THR A 36 35.165 -13.907 -5.717 1.00 23.30 H new ATOM 0 HA THR A 36 37.838 -14.669 -5.332 1.00 12.33 H new ATOM 0 HB THR A 36 35.287 -16.305 -5.026 1.00 2.02 H new ATOM 0 HG1 THR A 36 35.051 -14.565 -3.688 1.00 42.24 H new ATOM 0 HG21 THR A 36 36.579 -17.593 -3.365 1.00 24.42 H new ATOM 0 HG22 THR A 36 37.306 -17.695 -4.986 1.00 24.42 H new ATOM 0 HG23 THR A 36 38.026 -16.633 -3.753 1.00 24.42 H new ATOM 527 N LEU A 37 36.223 -16.178 -7.772 1.00 64.30 N ATOM 528 CA LEU A 37 36.385 -17.035 -8.942 1.00 12.02 C ATOM 529 C LEU A 37 37.348 -16.409 -9.946 1.00 42.22 C ATOM 530 O LEU A 37 38.215 -17.087 -10.496 1.00 14.21 O ATOM 531 CB LEU A 37 35.031 -17.287 -9.606 1.00 4.41 C ATOM 532 CG LEU A 37 35.074 -17.876 -11.016 1.00 24.51 C ATOM 533 CD1 LEU A 37 33.955 -18.889 -11.205 1.00 52.32 C ATOM 534 CD2 LEU A 37 34.978 -16.772 -12.059 1.00 32.01 C ATOM 0 H LEU A 37 35.304 -15.744 -7.692 1.00 64.30 H new ATOM 0 HA LEU A 37 36.802 -17.986 -8.610 1.00 12.02 H new ATOM 0 HB2 LEU A 37 34.457 -17.961 -8.970 1.00 4.41 H new ATOM 0 HB3 LEU A 37 34.487 -16.343 -9.645 1.00 4.41 H new ATOM 0 HG LEU A 37 36.027 -18.389 -11.146 1.00 24.51 H new ATOM 0 HD11 LEU A 37 34.001 -19.298 -12.214 1.00 52.32 H new ATOM 0 HD12 LEU A 37 34.069 -19.696 -10.481 1.00 52.32 H new ATOM 0 HD13 LEU A 37 32.992 -18.400 -11.055 1.00 52.32 H new ATOM 0 HD21 LEU A 37 35.010 -17.210 -13.057 1.00 32.01 H new ATOM 0 HD22 LEU A 37 34.041 -16.231 -11.931 1.00 32.01 H new ATOM 0 HD23 LEU A 37 35.814 -16.083 -11.938 1.00 32.01 H new ATOM 546 N VAL A 38 37.191 -15.109 -10.178 1.00 12.50 N ATOM 547 CA VAL A 38 38.048 -14.390 -11.113 1.00 14.13 C ATOM 548 C VAL A 38 39.507 -14.446 -10.675 1.00 43.02 C ATOM 549 O VAL A 38 40.407 -14.614 -11.498 1.00 4.42 O ATOM 550 CB VAL A 38 37.620 -12.917 -11.247 1.00 63.23 C ATOM 551 CG1 VAL A 38 38.550 -12.175 -12.195 1.00 52.42 C ATOM 552 CG2 VAL A 38 36.177 -12.823 -11.720 1.00 72.31 C ATOM 0 H VAL A 38 36.478 -14.533 -9.731 1.00 12.50 H new ATOM 0 HA VAL A 38 37.943 -14.881 -12.081 1.00 14.13 H new ATOM 0 HB VAL A 38 37.688 -12.446 -10.267 1.00 63.23 H new ATOM 0 HG11 VAL A 38 38.232 -11.136 -12.277 1.00 52.42 H new ATOM 0 HG12 VAL A 38 39.569 -12.213 -11.809 1.00 52.42 H new ATOM 0 HG13 VAL A 38 38.516 -12.644 -13.179 1.00 52.42 H new ATOM 0 HG21 VAL A 38 35.891 -11.775 -11.809 1.00 72.31 H new ATOM 0 HG22 VAL A 38 36.080 -13.310 -12.690 1.00 72.31 H new ATOM 0 HG23 VAL A 38 35.525 -13.317 -11.000 1.00 72.31 H new ATOM 562 N MET A 39 39.735 -14.305 -9.373 1.00 61.25 N ATOM 563 CA MET A 39 41.086 -14.342 -8.825 1.00 21.03 C ATOM 564 C MET A 39 41.673 -15.747 -8.918 1.00 45.04 C ATOM 565 O MET A 39 42.860 -15.917 -9.199 1.00 22.32 O ATOM 566 CB MET A 39 41.081 -13.873 -7.369 1.00 2.21 C ATOM 567 CG MET A 39 41.706 -12.502 -7.169 1.00 10.01 C ATOM 568 SD MET A 39 43.508 -12.548 -7.204 1.00 64.42 S ATOM 569 CE MET A 39 43.844 -11.561 -8.661 1.00 13.41 C ATOM 0 H MET A 39 39.002 -14.164 -8.678 1.00 61.25 H new ATOM 0 HA MET A 39 41.709 -13.669 -9.414 1.00 21.03 H new ATOM 0 HB2 MET A 39 40.053 -13.851 -7.007 1.00 2.21 H new ATOM 0 HB3 MET A 39 41.618 -14.600 -6.760 1.00 2.21 H new ATOM 0 HG2 MET A 39 41.349 -11.827 -7.947 1.00 10.01 H new ATOM 0 HG3 MET A 39 41.375 -12.092 -6.215 1.00 10.01 H new ATOM 0 HE1 MET A 39 44.921 -11.496 -8.816 1.00 13.41 H new ATOM 0 HE2 MET A 39 43.379 -12.026 -9.531 1.00 13.41 H new ATOM 0 HE3 MET A 39 43.436 -10.559 -8.524 1.00 13.41 H new ATOM 579 N LEU A 40 40.834 -16.750 -8.681 1.00 32.34 N ATOM 580 CA LEU A 40 41.270 -18.141 -8.738 1.00 63.45 C ATOM 581 C LEU A 40 41.687 -18.523 -10.155 1.00 3.35 C ATOM 582 O LEU A 40 42.695 -19.201 -10.356 1.00 22.51 O ATOM 583 CB LEU A 40 40.152 -19.066 -8.255 1.00 12.50 C ATOM 584 CG LEU A 40 40.490 -19.959 -7.061 1.00 51.42 C ATOM 585 CD1 LEU A 40 41.761 -20.750 -7.328 1.00 44.13 C ATOM 586 CD2 LEU A 40 40.633 -19.126 -5.796 1.00 71.23 C ATOM 0 H LEU A 40 39.849 -16.626 -8.448 1.00 32.34 H new ATOM 0 HA LEU A 40 42.134 -18.253 -8.083 1.00 63.45 H new ATOM 0 HB2 LEU A 40 39.289 -18.454 -7.993 1.00 12.50 H new ATOM 0 HB3 LEU A 40 39.850 -19.703 -9.086 1.00 12.50 H new ATOM 0 HG LEU A 40 39.672 -20.665 -6.917 1.00 51.42 H new ATOM 0 HD11 LEU A 40 41.985 -21.380 -6.467 1.00 44.13 H new ATOM 0 HD12 LEU A 40 41.621 -21.376 -8.209 1.00 44.13 H new ATOM 0 HD13 LEU A 40 42.589 -20.062 -7.500 1.00 44.13 H new ATOM 0 HD21 LEU A 40 40.874 -19.778 -4.956 1.00 71.23 H new ATOM 0 HD22 LEU A 40 41.432 -18.396 -5.929 1.00 71.23 H new ATOM 0 HD23 LEU A 40 39.696 -18.606 -5.595 1.00 71.23 H new ATOM 598 N LYS A 41 40.905 -18.083 -11.135 1.00 21.33 N ATOM 599 CA LYS A 41 41.193 -18.375 -12.534 1.00 43.51 C ATOM 600 C LYS A 41 42.280 -17.450 -13.071 1.00 52.01 C ATOM 601 O LYS A 41 43.002 -17.799 -14.005 1.00 71.12 O ATOM 602 CB LYS A 41 39.924 -18.232 -13.378 1.00 53.23 C ATOM 603 CG LYS A 41 39.507 -16.790 -13.610 1.00 12.31 C ATOM 604 CD LYS A 41 38.278 -16.702 -14.499 1.00 0.25 C ATOM 605 CE LYS A 41 38.274 -15.419 -15.317 1.00 15.01 C ATOM 606 NZ LYS A 41 38.292 -15.695 -16.781 1.00 0.01 N1+ ATOM 0 H LYS A 41 40.066 -17.522 -10.986 1.00 21.33 H new ATOM 0 HA LYS A 41 41.551 -19.403 -12.598 1.00 43.51 H new ATOM 0 HB2 LYS A 41 40.083 -18.715 -14.342 1.00 53.23 H new ATOM 0 HB3 LYS A 41 39.109 -18.762 -12.886 1.00 53.23 H new ATOM 0 HG2 LYS A 41 39.300 -16.312 -12.653 1.00 12.31 H new ATOM 0 HG3 LYS A 41 40.330 -16.242 -14.069 1.00 12.31 H new ATOM 0 HD2 LYS A 41 38.249 -17.562 -15.168 1.00 0.25 H new ATOM 0 HD3 LYS A 41 37.379 -16.746 -13.884 1.00 0.25 H new ATOM 0 HE2 LYS A 41 37.389 -14.833 -15.069 1.00 15.01 H new ATOM 0 HE3 LYS A 41 39.142 -14.815 -15.050 1.00 15.01 H new ATOM 0 HZ1 LYS A 41 38.289 -14.796 -17.304 1.00 0.01 H new ATOM 0 HZ2 LYS A 41 39.149 -16.233 -17.022 1.00 0.01 H new ATOM 0 HZ3 LYS A 41 37.451 -16.249 -17.040 1.00 0.01 H new ATOM 620 N LYS A 42 42.393 -16.268 -12.474 1.00 51.20 N ATOM 621 CA LYS A 42 43.393 -15.293 -12.889 1.00 63.05 C ATOM 622 C LYS A 42 44.783 -15.920 -12.926 1.00 75.13 C ATOM 623 O LYS A 42 45.389 -16.052 -13.989 1.00 11.34 O ATOM 624 CB LYS A 42 43.390 -14.092 -11.941 1.00 73.31 C ATOM 625 CG LYS A 42 42.589 -12.910 -12.459 1.00 3.55 C ATOM 626 CD LYS A 42 43.439 -11.999 -13.329 1.00 52.11 C ATOM 627 CE LYS A 42 42.697 -11.580 -14.589 1.00 52.23 C ATOM 628 NZ LYS A 42 43.418 -10.505 -15.326 1.00 52.20 N1+ ATOM 0 H LYS A 42 41.803 -15.963 -11.700 1.00 51.20 H new ATOM 0 HA LYS A 42 43.138 -14.956 -13.894 1.00 63.05 H new ATOM 0 HB2 LYS A 42 42.984 -14.401 -10.978 1.00 73.31 H new ATOM 0 HB3 LYS A 42 44.418 -13.775 -11.767 1.00 73.31 H new ATOM 0 HG2 LYS A 42 41.736 -13.271 -13.033 1.00 3.55 H new ATOM 0 HG3 LYS A 42 42.190 -12.343 -11.618 1.00 3.55 H new ATOM 0 HD2 LYS A 42 43.723 -11.113 -12.761 1.00 52.11 H new ATOM 0 HD3 LYS A 42 44.361 -12.512 -13.602 1.00 52.11 H new ATOM 0 HE2 LYS A 42 42.570 -12.445 -15.240 1.00 52.23 H new ATOM 0 HE3 LYS A 42 41.699 -11.232 -14.324 1.00 52.23 H new ATOM 0 HZ1 LYS A 42 42.880 -10.247 -16.178 1.00 52.20 H new ATOM 0 HZ2 LYS A 42 43.517 -9.670 -14.714 1.00 52.20 H new ATOM 0 HZ3 LYS A 42 44.361 -10.846 -15.602 1.00 52.20 H new ATOM 642 N LYS A 43 45.283 -16.309 -11.757 1.00 65.22 N ATOM 643 CA LYS A 43 46.600 -16.926 -11.655 1.00 71.00 C ATOM 644 C LYS A 43 46.563 -18.371 -12.142 1.00 0.54 C ATOM 645 O LYS A 43 46.706 -18.605 -13.341 1.00 31.10 O ATOM 646 CB LYS A 43 47.098 -16.876 -10.209 1.00 34.12 C ATOM 647 CG LYS A 43 48.392 -16.100 -10.037 1.00 32.44 C ATOM 648 CD LYS A 43 48.650 -15.761 -8.578 1.00 72.23 C ATOM 649 CE LYS A 43 49.048 -14.303 -8.407 1.00 55.42 C ATOM 650 NZ LYS A 43 48.837 -13.832 -7.010 1.00 35.41 N1+ ATOM 0 H LYS A 43 44.795 -16.208 -10.867 1.00 65.22 H new ATOM 0 HA LYS A 43 47.287 -16.365 -12.289 1.00 71.00 H new ATOM 0 HB2 LYS A 43 46.328 -16.424 -9.584 1.00 34.12 H new ATOM 0 HB3 LYS A 43 47.244 -17.894 -9.849 1.00 34.12 H new ATOM 0 HG2 LYS A 43 49.224 -16.687 -10.428 1.00 32.44 H new ATOM 0 HG3 LYS A 43 48.347 -15.182 -10.622 1.00 32.44 H new ATOM 0 HD2 LYS A 43 47.754 -15.966 -7.992 1.00 72.23 H new ATOM 0 HD3 LYS A 43 49.440 -16.403 -8.188 1.00 72.23 H new ATOM 0 HE2 LYS A 43 50.096 -14.178 -8.678 1.00 55.42 H new ATOM 0 HE3 LYS A 43 48.466 -13.685 -9.091 1.00 55.42 H new ATOM 0 HZ1 LYS A 43 49.120 -12.834 -6.934 1.00 35.41 H new ATOM 0 HZ2 LYS A 43 47.832 -13.927 -6.760 1.00 35.41 H new ATOM 0 HZ3 LYS A 43 49.412 -14.405 -6.360 1.00 35.41 H new TER 664 LYS A 43 ATOM 665 N GLY B 1 -3.967 6.250 3.075 1.00 53.22 N ATOM 666 CA GLY B 1 -3.594 5.739 4.381 1.00 45.42 C ATOM 667 C GLY B 1 -3.251 4.263 4.350 1.00 11.40 C ATOM 668 O GLY B 1 -2.231 3.844 4.897 1.00 20.32 O ATOM 0 H1 GLY B 1 -3.674 7.245 2.995 1.00 53.22 H new ATOM 0 H2 GLY B 1 -3.496 5.690 2.336 1.00 53.22 H new ATOM 0 H3 GLY B 1 -4.998 6.182 2.957 1.00 53.22 H new ATOM 0 HA2 GLY B 1 -2.738 6.300 4.756 1.00 45.42 H new ATOM 0 HA3 GLY B 1 -4.414 5.904 5.080 1.00 45.42 H new ATOM 672 N SER B 2 -4.105 3.471 3.709 1.00 72.12 N ATOM 673 CA SER B 2 -3.890 2.032 3.614 1.00 41.31 C ATOM 674 C SER B 2 -4.253 1.519 2.224 1.00 35.14 C ATOM 675 O SER B 2 -3.378 1.202 1.419 1.00 22.20 O ATOM 676 CB SER B 2 -4.717 1.300 4.673 1.00 64.41 C ATOM 677 OG SER B 2 -3.899 0.858 5.742 1.00 51.02 O ATOM 0 H SER B 2 -4.952 3.802 3.248 1.00 72.12 H new ATOM 0 HA SER B 2 -2.832 1.835 3.790 1.00 41.31 H new ATOM 0 HB2 SER B 2 -5.493 1.963 5.055 1.00 64.41 H new ATOM 0 HB3 SER B 2 -5.221 0.447 4.220 1.00 64.41 H new ATOM 0 HG SER B 2 -4.451 0.395 6.406 1.00 51.02 H new ATOM 683 N GLN B 3 -5.552 1.441 1.950 1.00 42.32 N ATOM 684 CA GLN B 3 -6.032 0.966 0.658 1.00 54.12 C ATOM 685 C GLN B 3 -5.457 1.804 -0.479 1.00 55.21 C ATOM 686 O GLN B 3 -4.937 1.269 -1.458 1.00 15.34 O ATOM 687 CB GLN B 3 -7.560 1.004 0.613 1.00 34.12 C ATOM 688 CG GLN B 3 -8.192 -0.331 0.251 1.00 43.54 C ATOM 689 CD GLN B 3 -9.020 -0.910 1.381 1.00 71.33 C ATOM 690 OE1 GLN B 3 -9.907 -0.247 1.919 1.00 74.31 O ATOM 691 NE2 GLN B 3 -8.734 -2.154 1.747 1.00 35.24 N ATOM 0 H GLN B 3 -6.290 1.700 2.605 1.00 42.32 H new ATOM 0 HA GLN B 3 -5.697 -0.063 0.531 1.00 54.12 H new ATOM 0 HB2 GLN B 3 -7.936 1.323 1.585 1.00 34.12 H new ATOM 0 HB3 GLN B 3 -7.875 1.754 -0.112 1.00 34.12 H new ATOM 0 HG2 GLN B 3 -8.823 -0.203 -0.628 1.00 43.54 H new ATOM 0 HG3 GLN B 3 -7.408 -1.038 -0.019 1.00 43.54 H new ATOM 0 HE21 GLN B 3 -7.990 -2.667 1.273 1.00 35.24 H new ATOM 0 HE22 GLN B 3 -9.258 -2.597 2.502 1.00 35.24 H new ATOM 700 N LYS B 4 -5.553 3.123 -0.342 1.00 43.11 N ATOM 701 CA LYS B 4 -5.042 4.037 -1.356 1.00 32.21 C ATOM 702 C LYS B 4 -3.591 3.713 -1.699 1.00 53.02 C ATOM 703 O LYS B 4 -3.217 3.660 -2.871 1.00 40.43 O ATOM 704 CB LYS B 4 -5.151 5.484 -0.869 1.00 12.53 C ATOM 705 CG LYS B 4 -4.445 6.483 -1.770 1.00 1.55 C ATOM 706 CD LYS B 4 -5.086 7.859 -1.685 1.00 35.44 C ATOM 707 CE LYS B 4 -4.051 8.965 -1.825 1.00 5.21 C ATOM 708 NZ LYS B 4 -4.508 10.235 -1.197 1.00 4.24 N1+ ATOM 0 H LYS B 4 -5.980 3.582 0.462 1.00 43.11 H new ATOM 0 HA LYS B 4 -5.645 3.916 -2.256 1.00 32.21 H new ATOM 0 HB2 LYS B 4 -6.204 5.755 -0.795 1.00 12.53 H new ATOM 0 HB3 LYS B 4 -4.732 5.553 0.135 1.00 12.53 H new ATOM 0 HG2 LYS B 4 -3.395 6.551 -1.487 1.00 1.55 H new ATOM 0 HG3 LYS B 4 -4.475 6.130 -2.801 1.00 1.55 H new ATOM 0 HD2 LYS B 4 -5.837 7.961 -2.468 1.00 35.44 H new ATOM 0 HD3 LYS B 4 -5.604 7.962 -0.731 1.00 35.44 H new ATOM 0 HE2 LYS B 4 -3.116 8.648 -1.364 1.00 5.21 H new ATOM 0 HE3 LYS B 4 -3.843 9.136 -2.881 1.00 5.21 H new ATOM 0 HZ1 LYS B 4 -3.775 10.963 -1.314 1.00 4.24 H new ATOM 0 HZ2 LYS B 4 -5.387 10.552 -1.654 1.00 4.24 H new ATOM 0 HZ3 LYS B 4 -4.682 10.078 -0.184 1.00 4.24 H new ATOM 722 N LEU B 5 -2.779 3.495 -0.670 1.00 34.22 N ATOM 723 CA LEU B 5 -1.369 3.174 -0.863 1.00 23.42 C ATOM 724 C LEU B 5 -1.203 2.012 -1.837 1.00 41.44 C ATOM 725 O LEU B 5 -0.223 1.945 -2.578 1.00 34.33 O ATOM 726 CB LEU B 5 -0.717 2.829 0.477 1.00 43.11 C ATOM 727 CG LEU B 5 0.121 3.935 1.120 1.00 61.22 C ATOM 728 CD1 LEU B 5 1.240 4.369 0.186 1.00 31.04 C ATOM 729 CD2 LEU B 5 -0.757 5.122 1.490 1.00 32.43 C ATOM 0 H LEU B 5 -3.073 3.535 0.306 1.00 34.22 H new ATOM 0 HA LEU B 5 -0.877 4.050 -1.285 1.00 23.42 H new ATOM 0 HB2 LEU B 5 -1.502 2.542 1.177 1.00 43.11 H new ATOM 0 HB3 LEU B 5 -0.081 1.955 0.335 1.00 43.11 H new ATOM 0 HG LEU B 5 0.569 3.541 2.032 1.00 61.22 H new ATOM 0 HD11 LEU B 5 1.825 5.156 0.661 1.00 31.04 H new ATOM 0 HD12 LEU B 5 1.885 3.517 -0.029 1.00 31.04 H new ATOM 0 HD13 LEU B 5 0.813 4.745 -0.744 1.00 31.04 H new ATOM 0 HD21 LEU B 5 -0.144 5.900 1.946 1.00 32.43 H new ATOM 0 HD22 LEU B 5 -1.234 5.516 0.592 1.00 32.43 H new ATOM 0 HD23 LEU B 5 -1.523 4.802 2.197 1.00 32.43 H new ATOM 741 N VAL B 6 -2.169 1.099 -1.831 1.00 61.20 N ATOM 742 CA VAL B 6 -2.132 -0.059 -2.715 1.00 73.22 C ATOM 743 C VAL B 6 -2.500 0.328 -4.143 1.00 65.44 C ATOM 744 O VAL B 6 -1.933 -0.192 -5.105 1.00 21.42 O ATOM 745 CB VAL B 6 -3.090 -1.165 -2.232 1.00 23.24 C ATOM 746 CG1 VAL B 6 -3.059 -2.351 -3.184 1.00 75.25 C ATOM 747 CG2 VAL B 6 -2.734 -1.597 -0.818 1.00 10.05 C ATOM 0 H VAL B 6 -2.987 1.139 -1.223 1.00 61.20 H new ATOM 0 HA VAL B 6 -1.111 -0.439 -2.696 1.00 73.22 H new ATOM 0 HB VAL B 6 -4.104 -0.765 -2.221 1.00 23.24 H new ATOM 0 HG11 VAL B 6 -3.742 -3.122 -2.827 1.00 75.25 H new ATOM 0 HG12 VAL B 6 -3.366 -2.027 -4.179 1.00 75.25 H new ATOM 0 HG13 VAL B 6 -2.048 -2.755 -3.230 1.00 75.25 H new ATOM 0 HG21 VAL B 6 -3.421 -2.379 -0.493 1.00 10.05 H new ATOM 0 HG22 VAL B 6 -1.714 -1.980 -0.801 1.00 10.05 H new ATOM 0 HG23 VAL B 6 -2.812 -0.742 -0.146 1.00 10.05 H new ATOM 757 N PHE B 7 -3.453 1.245 -4.275 1.00 44.35 N ATOM 758 CA PHE B 7 -3.897 1.702 -5.587 1.00 4.41 C ATOM 759 C PHE B 7 -2.711 2.143 -6.440 1.00 63.22 C ATOM 760 O PHE B 7 -2.703 1.953 -7.656 1.00 2.21 O ATOM 761 CB PHE B 7 -4.890 2.857 -5.438 1.00 22.50 C ATOM 762 CG PHE B 7 -5.748 3.070 -6.652 1.00 33.23 C ATOM 763 CD1 PHE B 7 -6.792 2.206 -6.939 1.00 35.51 C ATOM 764 CD2 PHE B 7 -5.510 4.134 -7.507 1.00 54.13 C ATOM 765 CE1 PHE B 7 -7.584 2.399 -8.056 1.00 14.54 C ATOM 766 CE2 PHE B 7 -6.299 4.333 -8.624 1.00 51.43 C ATOM 767 CZ PHE B 7 -7.336 3.464 -8.900 1.00 53.25 C ATOM 0 H PHE B 7 -3.932 1.686 -3.490 1.00 44.35 H new ATOM 0 HA PHE B 7 -4.391 0.869 -6.087 1.00 4.41 H new ATOM 0 HB2 PHE B 7 -5.532 2.665 -4.578 1.00 22.50 H new ATOM 0 HB3 PHE B 7 -4.340 3.774 -5.226 1.00 22.50 H new ATOM 0 HD1 PHE B 7 -6.990 1.372 -6.282 1.00 35.51 H new ATOM 0 HD2 PHE B 7 -4.699 4.816 -7.298 1.00 54.13 H new ATOM 0 HE1 PHE B 7 -8.395 1.718 -8.268 1.00 14.54 H new ATOM 0 HE2 PHE B 7 -6.105 5.168 -9.281 1.00 51.43 H new ATOM 0 HZ PHE B 7 -7.952 3.617 -9.774 1.00 53.25 H new ATOM 777 N PHE B 8 -1.712 2.733 -5.793 1.00 14.24 N ATOM 778 CA PHE B 8 -0.521 3.203 -6.491 1.00 23.40 C ATOM 779 C PHE B 8 0.110 2.079 -7.307 1.00 21.31 C ATOM 780 O PHE B 8 0.690 2.317 -8.366 1.00 43.03 O ATOM 781 CB PHE B 8 0.497 3.756 -5.491 1.00 62.24 C ATOM 782 CG PHE B 8 0.489 5.255 -5.394 1.00 44.41 C ATOM 783 CD1 PHE B 8 -0.691 5.939 -5.149 1.00 71.13 C ATOM 784 CD2 PHE B 8 1.660 5.979 -5.548 1.00 45.44 C ATOM 785 CE1 PHE B 8 -0.702 7.319 -5.058 1.00 35.51 C ATOM 786 CE2 PHE B 8 1.654 7.358 -5.458 1.00 71.42 C ATOM 787 CZ PHE B 8 0.472 8.029 -5.214 1.00 61.34 C ATOM 0 H PHE B 8 -1.703 2.897 -4.786 1.00 14.24 H new ATOM 0 HA PHE B 8 -0.820 3.999 -7.173 1.00 23.40 H new ATOM 0 HB2 PHE B 8 0.293 3.335 -4.507 1.00 62.24 H new ATOM 0 HB3 PHE B 8 1.494 3.424 -5.779 1.00 62.24 H new ATOM 0 HD1 PHE B 8 -1.612 5.388 -5.028 1.00 71.13 H new ATOM 0 HD2 PHE B 8 2.587 5.460 -5.740 1.00 45.44 H new ATOM 0 HE1 PHE B 8 -1.628 7.841 -4.865 1.00 35.51 H new ATOM 0 HE2 PHE B 8 2.574 7.911 -5.579 1.00 71.42 H new ATOM 0 HZ PHE B 8 0.466 9.107 -5.145 1.00 61.34 H new ATOM 797 N ALA B 9 -0.009 0.854 -6.806 1.00 3.32 N ATOM 798 CA ALA B 9 0.548 -0.308 -7.489 1.00 54.53 C ATOM 799 C ALA B 9 -0.239 -0.631 -8.754 1.00 33.43 C ATOM 800 O ALA B 9 0.323 -1.101 -9.742 1.00 63.12 O ATOM 801 CB ALA B 9 0.567 -1.510 -6.556 1.00 3.22 C ATOM 0 H ALA B 9 -0.486 0.640 -5.930 1.00 3.32 H new ATOM 0 HA ALA B 9 1.571 -0.071 -7.780 1.00 54.53 H new ATOM 0 HB1 ALA B 9 0.985 -2.370 -7.079 1.00 3.22 H new ATOM 0 HB2 ALA B 9 1.179 -1.283 -5.683 1.00 3.22 H new ATOM 0 HB3 ALA B 9 -0.450 -1.739 -6.237 1.00 3.22 H new ATOM 807 N GLU B 10 -1.543 -0.374 -8.716 1.00 45.21 N ATOM 808 CA GLU B 10 -2.407 -0.640 -9.861 1.00 70.42 C ATOM 809 C GLU B 10 -2.151 0.366 -10.980 1.00 44.53 C ATOM 810 O GLU B 10 -2.305 0.049 -12.160 1.00 32.34 O ATOM 811 CB GLU B 10 -3.877 -0.589 -9.441 1.00 22.13 C ATOM 812 CG GLU B 10 -4.643 -1.864 -9.751 1.00 1.50 C ATOM 813 CD GLU B 10 -4.717 -2.803 -8.563 1.00 64.55 C ATOM 814 OE1 GLU B 10 -5.232 -2.382 -7.505 1.00 64.21 O ATOM 815 OE2 GLU B 10 -4.261 -3.959 -8.690 1.00 2.44 O1- ATOM 0 H GLU B 10 -2.024 0.017 -7.906 1.00 45.21 H new ATOM 0 HA GLU B 10 -2.178 -1.638 -10.233 1.00 70.42 H new ATOM 0 HB2 GLU B 10 -3.934 -0.392 -8.370 1.00 22.13 H new ATOM 0 HB3 GLU B 10 -4.361 0.247 -9.945 1.00 22.13 H new ATOM 0 HG2 GLU B 10 -5.653 -1.608 -10.071 1.00 1.50 H new ATOM 0 HG3 GLU B 10 -4.165 -2.377 -10.586 1.00 1.50 H new ATOM 822 N ASP B 11 -1.761 1.577 -10.601 1.00 22.22 N ATOM 823 CA ASP B 11 -1.483 2.630 -11.571 1.00 24.31 C ATOM 824 C ASP B 11 -0.098 2.450 -12.186 1.00 71.11 C ATOM 825 O ASP B 11 0.071 2.550 -13.401 1.00 64.32 O ATOM 826 CB ASP B 11 -1.586 4.004 -10.908 1.00 44.23 C ATOM 827 CG ASP B 11 -2.159 5.054 -11.840 1.00 22.45 C ATOM 828 OD1 ASP B 11 -3.352 4.948 -12.193 1.00 53.01 O ATOM 829 OD2 ASP B 11 -1.414 5.984 -12.215 1.00 74.44 O1- ATOM 0 H ASP B 11 -1.630 1.855 -9.628 1.00 22.22 H new ATOM 0 HA ASP B 11 -2.225 2.563 -12.366 1.00 24.31 H new ATOM 0 HB2 ASP B 11 -2.213 3.930 -10.020 1.00 44.23 H new ATOM 0 HB3 ASP B 11 -0.597 4.319 -10.575 1.00 44.23 H new ATOM 834 N VAL B 12 0.891 2.187 -11.337 1.00 55.21 N ATOM 835 CA VAL B 12 2.261 1.993 -11.796 1.00 52.10 C ATOM 836 C VAL B 12 2.583 0.512 -11.956 1.00 62.40 C ATOM 837 O VAL B 12 2.734 0.015 -13.071 1.00 65.11 O ATOM 838 CB VAL B 12 3.273 2.626 -10.823 1.00 62.05 C ATOM 839 CG1 VAL B 12 4.688 2.505 -11.370 1.00 4.04 C ATOM 840 CG2 VAL B 12 2.919 4.082 -10.558 1.00 52.34 C ATOM 0 H VAL B 12 0.769 2.103 -10.328 1.00 55.21 H new ATOM 0 HA VAL B 12 2.343 2.485 -12.765 1.00 52.10 H new ATOM 0 HB VAL B 12 3.227 2.086 -9.877 1.00 62.05 H new ATOM 0 HG11 VAL B 12 5.389 2.958 -10.669 1.00 4.04 H new ATOM 0 HG12 VAL B 12 4.938 1.452 -11.504 1.00 4.04 H new ATOM 0 HG13 VAL B 12 4.752 3.018 -12.330 1.00 4.04 H new ATOM 0 HG21 VAL B 12 3.645 4.513 -9.868 1.00 52.34 H new ATOM 0 HG22 VAL B 12 2.935 4.637 -11.496 1.00 52.34 H new ATOM 0 HG23 VAL B 12 1.923 4.140 -10.119 1.00 52.34 H new ATOM 850 N GLY B 13 2.688 -0.190 -10.831 1.00 23.54 N ATOM 851 CA GLY B 13 2.992 -1.608 -10.867 1.00 64.33 C ATOM 852 C GLY B 13 4.394 -1.888 -11.372 1.00 22.53 C ATOM 853 O GLY B 13 4.668 -2.968 -11.895 1.00 53.34 O ATOM 0 H GLY B 13 2.568 0.199 -9.896 1.00 23.54 H new ATOM 0 HA2 GLY B 13 2.879 -2.026 -9.867 1.00 64.33 H new ATOM 0 HA3 GLY B 13 2.270 -2.115 -11.508 1.00 64.33 H new ATOM 857 N SER B 14 5.283 -0.913 -11.216 1.00 21.23 N ATOM 858 CA SER B 14 6.663 -1.058 -11.665 1.00 62.54 C ATOM 859 C SER B 14 7.636 -0.840 -10.509 1.00 73.21 C ATOM 860 O SER B 14 8.785 -0.453 -10.716 1.00 41.54 O ATOM 861 CB SER B 14 6.962 -0.067 -12.791 1.00 5.22 C ATOM 862 OG SER B 14 6.295 -0.437 -13.986 1.00 73.04 O ATOM 0 H SER B 14 5.073 -0.014 -10.782 1.00 21.23 H new ATOM 0 HA SER B 14 6.792 -2.073 -12.040 1.00 62.54 H new ATOM 0 HB2 SER B 14 6.650 0.934 -12.492 1.00 5.22 H new ATOM 0 HB3 SER B 14 8.037 -0.026 -12.968 1.00 5.22 H new ATOM 0 HG SER B 14 6.501 0.213 -14.690 1.00 73.04 H new ATOM 868 N ASN B 15 7.165 -1.092 -9.292 1.00 71.02 N ATOM 869 CA ASN B 15 7.991 -0.923 -8.103 1.00 74.13 C ATOM 870 C ASN B 15 8.259 -2.267 -7.431 1.00 63.30 C ATOM 871 O ASN B 15 9.398 -2.586 -7.088 1.00 52.43 O ATOM 872 CB ASN B 15 7.312 0.027 -7.114 1.00 43.53 C ATOM 873 CG ASN B 15 5.815 -0.200 -7.030 1.00 72.21 C ATOM 874 OD1 ASN B 15 5.353 -1.133 -6.372 1.00 20.22 O ATOM 875 ND2 ASN B 15 5.048 0.654 -7.699 1.00 60.13 N ATOM 0 H ASN B 15 6.216 -1.414 -9.104 1.00 71.02 H new ATOM 0 HA ASN B 15 8.944 -0.494 -8.412 1.00 74.13 H new ATOM 0 HB2 ASN B 15 7.753 -0.105 -6.126 1.00 43.53 H new ATOM 0 HB3 ASN B 15 7.504 1.057 -7.413 1.00 43.53 H new ATOM 0 HD21 ASN B 15 4.033 0.551 -7.680 1.00 60.13 H new ATOM 0 HD22 ASN B 15 5.474 1.413 -8.231 1.00 60.13 H new ATOM 882 N LYS B 16 7.203 -3.051 -7.247 1.00 43.20 N ATOM 883 CA LYS B 16 7.322 -4.361 -6.619 1.00 54.43 C ATOM 884 C LYS B 16 8.371 -5.211 -7.329 1.00 15.13 C ATOM 885 O LYS B 16 9.021 -6.055 -6.713 1.00 51.12 O ATOM 886 CB LYS B 16 5.972 -5.081 -6.633 1.00 71.21 C ATOM 887 CG LYS B 16 5.291 -5.071 -7.991 1.00 22.40 C ATOM 888 CD LYS B 16 4.022 -5.908 -7.985 1.00 33.51 C ATOM 889 CE LYS B 16 4.150 -7.120 -8.895 1.00 15.53 C ATOM 890 NZ LYS B 16 4.093 -6.741 -10.334 1.00 24.33 N1+ ATOM 0 H LYS B 16 6.254 -2.802 -7.524 1.00 43.20 H new ATOM 0 HA LYS B 16 7.637 -4.214 -5.586 1.00 54.43 H new ATOM 0 HB2 LYS B 16 6.117 -6.114 -6.316 1.00 71.21 H new ATOM 0 HB3 LYS B 16 5.313 -4.613 -5.902 1.00 71.21 H new ATOM 0 HG2 LYS B 16 5.050 -4.045 -8.271 1.00 22.40 H new ATOM 0 HG3 LYS B 16 5.977 -5.454 -8.746 1.00 22.40 H new ATOM 0 HD2 LYS B 16 3.806 -6.236 -6.968 1.00 33.51 H new ATOM 0 HD3 LYS B 16 3.180 -5.296 -8.308 1.00 33.51 H new ATOM 0 HE2 LYS B 16 5.091 -7.630 -8.691 1.00 15.53 H new ATOM 0 HE3 LYS B 16 3.350 -7.827 -8.674 1.00 15.53 H new ATOM 0 HZ1 LYS B 16 4.184 -7.594 -10.922 1.00 24.33 H new ATOM 0 HZ2 LYS B 16 3.184 -6.277 -10.535 1.00 24.33 H new ATOM 0 HZ3 LYS B 16 4.871 -6.087 -10.552 1.00 24.33 H new ATOM 904 N GLY B 17 8.530 -4.983 -8.629 1.00 4.31 N ATOM 905 CA GLY B 17 9.502 -5.735 -9.401 1.00 33.42 C ATOM 906 C GLY B 17 10.926 -5.479 -8.947 1.00 53.42 C ATOM 907 O GLY B 17 11.784 -6.356 -9.048 1.00 43.40 O ATOM 0 H GLY B 17 8.003 -4.291 -9.161 1.00 4.31 H new ATOM 0 HA2 GLY B 17 9.283 -6.799 -9.317 1.00 33.42 H new ATOM 0 HA3 GLY B 17 9.407 -5.472 -10.454 1.00 33.42 H new ATOM 911 N ALA B 18 11.178 -4.274 -8.447 1.00 32.22 N ATOM 912 CA ALA B 18 12.508 -3.906 -7.976 1.00 63.10 C ATOM 913 C ALA B 18 12.885 -4.693 -6.726 1.00 74.14 C ATOM 914 O ALA B 18 13.938 -5.329 -6.676 1.00 4.35 O ATOM 915 CB ALA B 18 12.575 -2.411 -7.701 1.00 33.43 C ATOM 0 H ALA B 18 10.479 -3.536 -8.358 1.00 32.22 H new ATOM 0 HA ALA B 18 13.225 -4.153 -8.759 1.00 63.10 H new ATOM 0 HB1 ALA B 18 13.573 -2.150 -7.350 1.00 33.43 H new ATOM 0 HB2 ALA B 18 12.358 -1.862 -8.617 1.00 33.43 H new ATOM 0 HB3 ALA B 18 11.842 -2.148 -6.938 1.00 33.43 H new ATOM 921 N ILE B 19 12.020 -4.645 -5.718 1.00 3.21 N ATOM 922 CA ILE B 19 12.263 -5.354 -4.468 1.00 42.52 C ATOM 923 C ILE B 19 12.378 -6.856 -4.702 1.00 45.01 C ATOM 924 O ILE B 19 13.387 -7.472 -4.358 1.00 51.23 O ATOM 925 CB ILE B 19 11.143 -5.090 -3.444 1.00 33.45 C ATOM 926 CG1 ILE B 19 10.994 -3.587 -3.195 1.00 32.21 C ATOM 927 CG2 ILE B 19 11.432 -5.822 -2.143 1.00 64.11 C ATOM 928 CD1 ILE B 19 12.230 -2.948 -2.601 1.00 15.41 C ATOM 0 H ILE B 19 11.144 -4.122 -5.743 1.00 3.21 H new ATOM 0 HA ILE B 19 13.205 -4.977 -4.069 1.00 42.52 H new ATOM 0 HB ILE B 19 10.204 -5.467 -3.849 1.00 33.45 H new ATOM 0 HG12 ILE B 19 10.756 -3.093 -4.137 1.00 32.21 H new ATOM 0 HG13 ILE B 19 10.151 -3.420 -2.525 1.00 32.21 H new ATOM 0 HG21 ILE B 19 10.632 -5.626 -1.430 1.00 64.11 H new ATOM 0 HG22 ILE B 19 11.493 -6.893 -2.334 1.00 64.11 H new ATOM 0 HG23 ILE B 19 12.379 -5.472 -1.731 1.00 64.11 H new ATOM 0 HD11 ILE B 19 12.053 -1.883 -2.451 1.00 15.41 H new ATOM 0 HD12 ILE B 19 12.457 -3.416 -1.643 1.00 15.41 H new ATOM 0 HD13 ILE B 19 13.072 -3.084 -3.280 1.00 15.41 H new ATOM 940 N ILE B 20 11.339 -7.439 -5.291 1.00 43.32 N ATOM 941 CA ILE B 20 11.325 -8.869 -5.573 1.00 64.50 C ATOM 942 C ILE B 20 12.483 -9.260 -6.486 1.00 3.13 C ATOM 943 O ILE B 20 13.216 -10.208 -6.205 1.00 61.12 O ATOM 944 CB ILE B 20 10.001 -9.301 -6.230 1.00 12.10 C ATOM 945 CG1 ILE B 20 8.819 -8.955 -5.321 1.00 4.15 C ATOM 946 CG2 ILE B 20 10.022 -10.791 -6.536 1.00 22.15 C ATOM 947 CD1 ILE B 20 8.827 -9.706 -4.008 1.00 15.43 C ATOM 0 H ILE B 20 10.496 -6.943 -5.582 1.00 43.32 H new ATOM 0 HA ILE B 20 11.430 -9.380 -4.616 1.00 64.50 H new ATOM 0 HB ILE B 20 9.885 -8.759 -7.169 1.00 12.10 H new ATOM 0 HG12 ILE B 20 8.828 -7.884 -5.118 1.00 4.15 H new ATOM 0 HG13 ILE B 20 7.890 -9.171 -5.848 1.00 4.15 H new ATOM 0 HG21 ILE B 20 9.079 -11.080 -7.000 1.00 22.15 H new ATOM 0 HG22 ILE B 20 10.844 -11.011 -7.217 1.00 22.15 H new ATOM 0 HG23 ILE B 20 10.158 -11.351 -5.611 1.00 22.15 H new ATOM 0 HD11 ILE B 20 7.961 -9.411 -3.415 1.00 15.43 H new ATOM 0 HD12 ILE B 20 8.786 -10.778 -4.202 1.00 15.43 H new ATOM 0 HD13 ILE B 20 9.739 -9.471 -3.460 1.00 15.43 H new ATOM 959 N GLY B 21 12.643 -8.522 -7.580 1.00 73.30 N ATOM 960 CA GLY B 21 13.714 -8.806 -8.516 1.00 11.22 C ATOM 961 C GLY B 21 15.085 -8.709 -7.876 1.00 42.32 C ATOM 962 O GLY B 21 16.034 -9.356 -8.322 1.00 43.00 O ATOM 0 H GLY B 21 12.050 -7.732 -7.835 1.00 73.30 H new ATOM 0 HA2 GLY B 21 13.578 -9.807 -8.926 1.00 11.22 H new ATOM 0 HA3 GLY B 21 13.656 -8.109 -9.352 1.00 11.22 H new ATOM 966 N LEU B 22 15.191 -7.899 -6.829 1.00 1.10 N ATOM 967 CA LEU B 22 16.457 -7.718 -6.126 1.00 63.54 C ATOM 968 C LEU B 22 16.784 -8.939 -5.272 1.00 3.34 C ATOM 969 O LEU B 22 17.892 -9.472 -5.333 1.00 3.31 O ATOM 970 CB LEU B 22 16.401 -6.467 -5.248 1.00 2.22 C ATOM 971 CG LEU B 22 17.113 -5.230 -5.796 1.00 43.13 C ATOM 972 CD1 LEU B 22 16.823 -4.017 -4.926 1.00 35.24 C ATOM 973 CD2 LEU B 22 18.612 -5.475 -5.889 1.00 43.24 C ATOM 0 H LEU B 22 14.416 -7.357 -6.448 1.00 1.10 H new ATOM 0 HA LEU B 22 17.244 -7.597 -6.870 1.00 63.54 H new ATOM 0 HB2 LEU B 22 15.355 -6.214 -5.078 1.00 2.22 H new ATOM 0 HB3 LEU B 22 16.832 -6.709 -4.277 1.00 2.22 H new ATOM 0 HG LEU B 22 16.734 -5.031 -6.798 1.00 43.13 H new ATOM 0 HD11 LEU B 22 17.338 -3.147 -5.332 1.00 35.24 H new ATOM 0 HD12 LEU B 22 15.750 -3.829 -4.910 1.00 35.24 H new ATOM 0 HD13 LEU B 22 17.173 -4.205 -3.911 1.00 35.24 H new ATOM 0 HD21 LEU B 22 19.103 -4.584 -6.281 1.00 43.24 H new ATOM 0 HD22 LEU B 22 19.006 -5.700 -4.898 1.00 43.24 H new ATOM 0 HD23 LEU B 22 18.802 -6.317 -6.555 1.00 43.24 H new ATOM 985 N MET B 23 15.813 -9.377 -4.478 1.00 44.40 N ATOM 986 CA MET B 23 15.998 -10.537 -3.614 1.00 71.22 C ATOM 987 C MET B 23 16.084 -11.819 -4.436 1.00 4.21 C ATOM 988 O MET B 23 16.905 -12.693 -4.158 1.00 74.33 O ATOM 989 CB MET B 23 14.849 -10.639 -2.608 1.00 54.41 C ATOM 990 CG MET B 23 13.478 -10.730 -3.258 1.00 32.30 C ATOM 991 SD MET B 23 12.136 -10.706 -2.055 1.00 4.02 S ATOM 992 CE MET B 23 12.440 -9.140 -1.239 1.00 45.11 C ATOM 0 H MET B 23 14.890 -8.947 -4.415 1.00 44.40 H new ATOM 0 HA MET B 23 16.935 -10.410 -3.073 1.00 71.22 H new ATOM 0 HB2 MET B 23 15.003 -11.517 -1.980 1.00 54.41 H new ATOM 0 HB3 MET B 23 14.874 -9.769 -1.951 1.00 54.41 H new ATOM 0 HG2 MET B 23 13.353 -9.899 -3.952 1.00 32.30 H new ATOM 0 HG3 MET B 23 13.418 -11.647 -3.845 1.00 32.30 H new ATOM 0 HE1 MET B 23 11.506 -8.584 -1.158 1.00 45.11 H new ATOM 0 HE2 MET B 23 12.842 -9.321 -0.242 1.00 45.11 H new ATOM 0 HE3 MET B 23 13.158 -8.560 -1.820 1.00 45.11 H new ATOM 1002 N VAL B 24 15.230 -11.925 -5.450 1.00 14.24 N ATOM 1003 CA VAL B 24 15.211 -13.100 -6.313 1.00 33.43 C ATOM 1004 C VAL B 24 16.474 -13.179 -7.162 1.00 12.43 C ATOM 1005 O VAL B 24 17.164 -14.198 -7.174 1.00 51.14 O ATOM 1006 CB VAL B 24 13.981 -13.095 -7.241 1.00 32.42 C ATOM 1007 CG1 VAL B 24 14.000 -14.307 -8.160 1.00 73.50 C ATOM 1008 CG2 VAL B 24 12.698 -13.054 -6.425 1.00 15.54 C ATOM 0 H VAL B 24 14.543 -11.212 -5.693 1.00 14.24 H new ATOM 0 HA VAL B 24 15.161 -13.971 -5.660 1.00 33.43 H new ATOM 0 HB VAL B 24 14.019 -12.199 -7.861 1.00 32.42 H new ATOM 0 HG11 VAL B 24 13.124 -14.286 -8.808 1.00 73.50 H new ATOM 0 HG12 VAL B 24 14.903 -14.287 -8.770 1.00 73.50 H new ATOM 0 HG13 VAL B 24 13.987 -15.218 -7.561 1.00 73.50 H new ATOM 0 HG21 VAL B 24 11.840 -13.051 -7.097 1.00 15.54 H new ATOM 0 HG22 VAL B 24 12.650 -13.930 -5.779 1.00 15.54 H new ATOM 0 HG23 VAL B 24 12.684 -12.151 -5.814 1.00 15.54 H new ATOM 1018 N GLY B 25 16.773 -12.095 -7.872 1.00 45.24 N ATOM 1019 CA GLY B 25 17.954 -12.063 -8.715 1.00 52.24 C ATOM 1020 C GLY B 25 19.232 -12.287 -7.931 1.00 12.45 C ATOM 1021 O GLY B 25 20.126 -13.002 -8.381 1.00 44.51 O ATOM 0 H GLY B 25 16.219 -11.239 -7.878 1.00 45.24 H new ATOM 0 HA2 GLY B 25 17.866 -12.827 -9.487 1.00 52.24 H new ATOM 0 HA3 GLY B 25 18.007 -11.101 -9.224 1.00 52.24 H new ATOM 1025 N GLY B 26 19.318 -11.674 -6.755 1.00 12.45 N ATOM 1026 CA GLY B 26 20.501 -11.822 -5.926 1.00 62.31 C ATOM 1027 C GLY B 26 20.737 -13.258 -5.505 1.00 71.30 C ATOM 1028 O GLY B 26 21.844 -13.779 -5.642 1.00 64.44 O ATOM 0 H GLY B 26 18.590 -11.078 -6.361 1.00 12.45 H new ATOM 0 HA2 GLY B 26 21.372 -11.459 -6.472 1.00 62.31 H new ATOM 0 HA3 GLY B 26 20.399 -11.198 -5.038 1.00 62.31 H new ATOM 1032 N VAL B 27 19.695 -13.901 -4.988 1.00 24.11 N ATOM 1033 CA VAL B 27 19.794 -15.287 -4.545 1.00 31.31 C ATOM 1034 C VAL B 27 20.127 -16.214 -5.708 1.00 64.42 C ATOM 1035 O VAL B 27 20.973 -17.101 -5.587 1.00 52.42 O ATOM 1036 CB VAL B 27 18.485 -15.760 -3.884 1.00 22.42 C ATOM 1037 CG1 VAL B 27 18.598 -17.215 -3.458 1.00 14.40 C ATOM 1038 CG2 VAL B 27 18.137 -14.874 -2.698 1.00 24.04 C ATOM 0 H VAL B 27 18.772 -13.484 -4.865 1.00 24.11 H new ATOM 0 HA VAL B 27 20.599 -15.327 -3.811 1.00 31.31 H new ATOM 0 HB VAL B 27 17.680 -15.682 -4.615 1.00 22.42 H new ATOM 0 HG11 VAL B 27 17.664 -17.532 -2.993 1.00 14.40 H new ATOM 0 HG12 VAL B 27 18.797 -17.836 -4.332 1.00 14.40 H new ATOM 0 HG13 VAL B 27 19.414 -17.323 -2.743 1.00 14.40 H new ATOM 0 HG21 VAL B 27 17.210 -15.222 -2.243 1.00 24.04 H new ATOM 0 HG22 VAL B 27 18.941 -14.918 -1.963 1.00 24.04 H new ATOM 0 HG23 VAL B 27 18.011 -13.846 -3.037 1.00 24.04 H new ATOM 1048 N VAL B 28 19.458 -16.003 -6.837 1.00 44.32 N ATOM 1049 CA VAL B 28 19.684 -16.818 -8.024 1.00 72.25 C ATOM 1050 C VAL B 28 21.103 -16.638 -8.552 1.00 61.12 C ATOM 1051 O VAL B 28 21.881 -17.591 -8.606 1.00 4.12 O ATOM 1052 CB VAL B 28 18.683 -16.471 -9.142 1.00 30.43 C ATOM 1053 CG1 VAL B 28 18.971 -17.292 -10.390 1.00 14.03 C ATOM 1054 CG2 VAL B 28 17.255 -16.691 -8.666 1.00 41.34 C ATOM 0 H VAL B 28 18.755 -15.274 -6.954 1.00 44.32 H new ATOM 0 HA VAL B 28 19.539 -17.857 -7.727 1.00 72.25 H new ATOM 0 HB VAL B 28 18.798 -15.417 -9.395 1.00 30.43 H new ATOM 0 HG11 VAL B 28 18.254 -17.033 -11.169 1.00 14.03 H new ATOM 0 HG12 VAL B 28 19.981 -17.079 -10.741 1.00 14.03 H new ATOM 0 HG13 VAL B 28 18.885 -18.353 -10.155 1.00 14.03 H new ATOM 0 HG21 VAL B 28 16.561 -16.441 -9.469 1.00 41.34 H new ATOM 0 HG22 VAL B 28 17.122 -17.736 -8.384 1.00 41.34 H new ATOM 0 HG23 VAL B 28 17.057 -16.054 -7.804 1.00 41.34 H new ATOM 1064 N ILE B 29 21.432 -15.411 -8.941 1.00 43.52 N ATOM 1065 CA ILE B 29 22.758 -15.106 -9.464 1.00 61.14 C ATOM 1066 C ILE B 29 23.848 -15.587 -8.512 1.00 31.13 C ATOM 1067 O ILE B 29 24.833 -16.191 -8.934 1.00 42.31 O ATOM 1068 CB ILE B 29 22.934 -13.596 -9.706 1.00 72.21 C ATOM 1069 CG1 ILE B 29 21.876 -13.089 -10.689 1.00 65.04 C ATOM 1070 CG2 ILE B 29 24.333 -13.302 -10.227 1.00 30.35 C ATOM 1071 CD1 ILE B 29 21.675 -11.590 -10.640 1.00 25.13 C ATOM 0 H ILE B 29 20.799 -14.612 -8.904 1.00 43.52 H new ATOM 0 HA ILE B 29 22.851 -15.631 -10.415 1.00 61.14 H new ATOM 0 HB ILE B 29 22.804 -13.073 -8.758 1.00 72.21 H new ATOM 0 HG12 ILE B 29 22.164 -13.376 -11.700 1.00 65.04 H new ATOM 0 HG13 ILE B 29 20.928 -13.582 -10.476 1.00 65.04 H new ATOM 0 HG21 ILE B 29 24.442 -12.230 -10.393 1.00 30.35 H new ATOM 0 HG22 ILE B 29 25.071 -13.632 -9.496 1.00 30.35 H new ATOM 0 HG23 ILE B 29 24.490 -13.832 -11.166 1.00 30.35 H new ATOM 0 HD11 ILE B 29 20.911 -11.301 -11.362 1.00 25.13 H new ATOM 0 HD12 ILE B 29 21.356 -11.298 -9.639 1.00 25.13 H new ATOM 0 HD13 ILE B 29 22.612 -11.089 -10.883 1.00 25.13 H new ATOM 1083 N ALA B 30 23.663 -15.316 -7.224 1.00 61.53 N ATOM 1084 CA ALA B 30 24.628 -15.724 -6.211 1.00 41.51 C ATOM 1085 C ALA B 30 24.953 -17.209 -6.328 1.00 3.30 C ATOM 1086 O ALA B 30 26.112 -17.592 -6.489 1.00 12.12 O ATOM 1087 CB ALA B 30 24.100 -15.405 -4.820 1.00 34.43 C ATOM 0 H ALA B 30 22.853 -14.815 -6.858 1.00 61.53 H new ATOM 0 HA ALA B 30 25.548 -15.164 -6.376 1.00 41.51 H new ATOM 0 HB1 ALA B 30 24.831 -15.715 -4.073 1.00 34.43 H new ATOM 0 HB2 ALA B 30 23.926 -14.332 -4.734 1.00 34.43 H new ATOM 0 HB3 ALA B 30 23.164 -15.939 -4.655 1.00 34.43 H new ATOM 1093 N THR B 31 23.921 -18.044 -6.246 1.00 55.34 N ATOM 1094 CA THR B 31 24.096 -19.487 -6.340 1.00 44.34 C ATOM 1095 C THR B 31 24.748 -19.876 -7.663 1.00 64.05 C ATOM 1096 O THR B 31 25.627 -20.737 -7.703 1.00 32.31 O ATOM 1097 CB THR B 31 22.752 -20.227 -6.207 1.00 71.41 C ATOM 1098 OG1 THR B 31 21.984 -19.658 -5.140 1.00 55.31 O ATOM 1099 CG2 THR B 31 22.973 -21.709 -5.945 1.00 41.44 C ATOM 0 H THR B 31 22.955 -17.744 -6.115 1.00 55.34 H new ATOM 0 HA THR B 31 24.746 -19.780 -5.516 1.00 44.34 H new ATOM 0 HB THR B 31 22.208 -20.118 -7.145 1.00 71.41 H new ATOM 0 HG1 THR B 31 21.548 -18.838 -5.452 1.00 55.31 H new ATOM 0 HG21 THR B 31 22.009 -22.210 -5.855 1.00 41.44 H new ATOM 0 HG22 THR B 31 23.533 -22.145 -6.772 1.00 41.44 H new ATOM 0 HG23 THR B 31 23.535 -21.835 -5.020 1.00 41.44 H new ATOM 1107 N VAL B 32 24.311 -19.237 -8.743 1.00 33.22 N ATOM 1108 CA VAL B 32 24.853 -19.515 -10.067 1.00 10.51 C ATOM 1109 C VAL B 32 26.376 -19.434 -10.066 1.00 44.22 C ATOM 1110 O VAL B 32 27.057 -20.355 -10.518 1.00 21.24 O ATOM 1111 CB VAL B 32 24.299 -18.535 -11.118 1.00 72.41 C ATOM 1112 CG1 VAL B 32 24.900 -18.821 -12.486 1.00 30.13 C ATOM 1113 CG2 VAL B 32 22.780 -18.610 -11.168 1.00 1.22 C ATOM 0 H VAL B 32 23.583 -18.523 -8.727 1.00 33.22 H new ATOM 0 HA VAL B 32 24.546 -20.528 -10.328 1.00 10.51 H new ATOM 0 HB VAL B 32 24.581 -17.523 -10.829 1.00 72.41 H new ATOM 0 HG11 VAL B 32 24.496 -18.118 -13.215 1.00 30.13 H new ATOM 0 HG12 VAL B 32 25.983 -18.711 -12.438 1.00 30.13 H new ATOM 0 HG13 VAL B 32 24.652 -19.839 -12.787 1.00 30.13 H new ATOM 0 HG21 VAL B 32 22.406 -17.911 -11.916 1.00 1.22 H new ATOM 0 HG22 VAL B 32 22.474 -19.622 -11.432 1.00 1.22 H new ATOM 0 HG23 VAL B 32 22.371 -18.350 -10.192 1.00 1.22 H new ATOM 1123 N ILE B 33 26.903 -18.327 -9.555 1.00 33.21 N ATOM 1124 CA ILE B 33 28.346 -18.127 -9.493 1.00 4.21 C ATOM 1125 C ILE B 33 29.006 -19.161 -8.588 1.00 15.44 C ATOM 1126 O ILE B 33 30.115 -19.622 -8.860 1.00 54.11 O ATOM 1127 CB ILE B 33 28.697 -16.717 -8.983 1.00 4.41 C ATOM 1128 CG1 ILE B 33 28.004 -15.654 -9.838 1.00 74.01 C ATOM 1129 CG2 ILE B 33 30.204 -16.511 -8.991 1.00 44.25 C ATOM 1130 CD1 ILE B 33 28.393 -15.706 -11.299 1.00 63.23 C ATOM 0 H ILE B 33 26.353 -17.555 -9.178 1.00 33.21 H new ATOM 0 HA ILE B 33 28.724 -18.242 -10.509 1.00 4.21 H new ATOM 0 HB ILE B 33 28.342 -16.619 -7.957 1.00 4.41 H new ATOM 0 HG12 ILE B 33 26.924 -15.778 -9.753 1.00 74.01 H new ATOM 0 HG13 ILE B 33 28.244 -14.667 -9.441 1.00 74.01 H new ATOM 0 HG21 ILE B 33 30.436 -15.510 -8.628 1.00 44.25 H new ATOM 0 HG22 ILE B 33 30.676 -17.250 -8.344 1.00 44.25 H new ATOM 0 HG23 ILE B 33 30.581 -16.625 -10.007 1.00 44.25 H new ATOM 0 HD11 ILE B 33 27.864 -14.925 -11.844 1.00 63.23 H new ATOM 0 HD12 ILE B 33 29.468 -15.552 -11.395 1.00 63.23 H new ATOM 0 HD13 ILE B 33 28.128 -16.679 -11.712 1.00 63.23 H new ATOM 1142 N VAL B 34 28.316 -19.525 -7.512 1.00 65.04 N ATOM 1143 CA VAL B 34 28.834 -20.508 -6.568 1.00 34.20 C ATOM 1144 C VAL B 34 29.005 -21.870 -7.231 1.00 44.13 C ATOM 1145 O VAL B 34 30.090 -22.452 -7.205 1.00 72.22 O ATOM 1146 CB VAL B 34 27.907 -20.657 -5.347 1.00 24.51 C ATOM 1147 CG1 VAL B 34 28.507 -21.620 -4.334 1.00 24.53 C ATOM 1148 CG2 VAL B 34 27.641 -19.300 -4.712 1.00 24.41 C ATOM 0 H VAL B 34 27.397 -19.154 -7.272 1.00 65.04 H new ATOM 0 HA VAL B 34 29.806 -20.144 -6.235 1.00 34.20 H new ATOM 0 HB VAL B 34 26.955 -21.069 -5.684 1.00 24.51 H new ATOM 0 HG11 VAL B 34 27.838 -21.712 -3.479 1.00 24.53 H new ATOM 0 HG12 VAL B 34 28.641 -22.598 -4.797 1.00 24.53 H new ATOM 0 HG13 VAL B 34 29.473 -21.241 -4.000 1.00 24.53 H new ATOM 0 HG21 VAL B 34 26.984 -19.424 -3.851 1.00 24.41 H new ATOM 0 HG22 VAL B 34 28.584 -18.858 -4.389 1.00 24.41 H new ATOM 0 HG23 VAL B 34 27.164 -18.645 -5.441 1.00 24.41 H new ATOM 1158 N ILE B 35 27.928 -22.372 -7.825 1.00 3.34 N ATOM 1159 CA ILE B 35 27.959 -23.665 -8.497 1.00 33.00 C ATOM 1160 C ILE B 35 29.011 -23.685 -9.601 1.00 44.55 C ATOM 1161 O ILE B 35 29.711 -24.681 -9.790 1.00 3.43 O ATOM 1162 CB ILE B 35 26.588 -24.018 -9.103 1.00 62.11 C ATOM 1163 CG1 ILE B 35 25.504 -23.977 -8.024 1.00 20.03 C ATOM 1164 CG2 ILE B 35 26.637 -25.389 -9.761 1.00 51.44 C ATOM 1165 CD1 ILE B 35 24.100 -24.104 -8.573 1.00 34.21 C ATOM 0 H ILE B 35 27.023 -21.903 -7.855 1.00 3.34 H new ATOM 0 HA ILE B 35 28.214 -24.408 -7.741 1.00 33.00 H new ATOM 0 HB ILE B 35 26.343 -23.279 -9.866 1.00 62.11 H new ATOM 0 HG12 ILE B 35 25.681 -24.783 -7.312 1.00 20.03 H new ATOM 0 HG13 ILE B 35 25.587 -23.040 -7.473 1.00 20.03 H new ATOM 0 HG21 ILE B 35 25.661 -25.624 -10.185 1.00 51.44 H new ATOM 0 HG22 ILE B 35 27.385 -25.386 -10.554 1.00 51.44 H new ATOM 0 HG23 ILE B 35 26.900 -26.141 -9.017 1.00 51.44 H new ATOM 0 HD11 ILE B 35 23.384 -24.067 -7.752 1.00 34.21 H new ATOM 0 HD12 ILE B 35 23.904 -23.284 -9.263 1.00 34.21 H new ATOM 0 HD13 ILE B 35 24.000 -25.053 -9.100 1.00 34.21 H new ATOM 1177 N THR B 36 29.118 -22.578 -10.329 1.00 75.45 N ATOM 1178 CA THR B 36 30.085 -22.467 -11.414 1.00 63.13 C ATOM 1179 C THR B 36 31.513 -22.554 -10.889 1.00 60.44 C ATOM 1180 O THR B 36 32.382 -23.156 -11.521 1.00 74.33 O ATOM 1181 CB THR B 36 29.913 -21.146 -12.187 1.00 71.44 C ATOM 1182 OG1 THR B 36 28.570 -21.033 -12.671 1.00 5.23 O ATOM 1183 CG2 THR B 36 30.885 -21.072 -13.355 1.00 0.52 C ATOM 0 H THR B 36 28.547 -21.745 -10.187 1.00 75.45 H new ATOM 0 HA THR B 36 29.898 -23.301 -12.090 1.00 63.13 H new ATOM 0 HB THR B 36 30.124 -20.322 -11.506 1.00 71.44 H new ATOM 0 HG1 THR B 36 28.001 -20.653 -11.970 1.00 5.23 H new ATOM 0 HG21 THR B 36 30.745 -20.130 -13.886 1.00 0.52 H new ATOM 0 HG22 THR B 36 31.907 -21.129 -12.982 1.00 0.52 H new ATOM 0 HG23 THR B 36 30.700 -21.903 -14.035 1.00 0.52 H new ATOM 1191 N LEU B 37 31.750 -21.948 -9.731 1.00 70.42 N ATOM 1192 CA LEU B 37 33.075 -21.957 -9.120 1.00 13.33 C ATOM 1193 C LEU B 37 33.440 -23.355 -8.631 1.00 71.54 C ATOM 1194 O LEU B 37 34.561 -23.822 -8.832 1.00 74.21 O ATOM 1195 CB LEU B 37 33.127 -20.968 -7.954 1.00 42.54 C ATOM 1196 CG LEU B 37 34.323 -21.105 -7.011 1.00 54.52 C ATOM 1197 CD1 LEU B 37 34.814 -19.735 -6.569 1.00 30.11 C ATOM 1198 CD2 LEU B 37 33.955 -21.956 -5.804 1.00 43.10 C ATOM 0 H LEU B 37 31.042 -21.444 -9.196 1.00 70.42 H new ATOM 0 HA LEU B 37 33.799 -21.656 -9.877 1.00 13.33 H new ATOM 0 HB2 LEU B 37 33.125 -19.957 -8.361 1.00 42.54 H new ATOM 0 HB3 LEU B 37 32.214 -21.078 -7.369 1.00 42.54 H new ATOM 0 HG LEU B 37 35.131 -21.602 -7.549 1.00 54.52 H new ATOM 0 HD11 LEU B 37 35.665 -19.852 -5.899 1.00 30.11 H new ATOM 0 HD12 LEU B 37 35.117 -19.158 -7.443 1.00 30.11 H new ATOM 0 HD13 LEU B 37 34.012 -19.211 -6.049 1.00 30.11 H new ATOM 0 HD21 LEU B 37 34.818 -22.043 -5.144 1.00 43.10 H new ATOM 0 HD22 LEU B 37 33.132 -21.487 -5.265 1.00 43.10 H new ATOM 0 HD23 LEU B 37 33.652 -22.948 -6.137 1.00 43.10 H new ATOM 1210 N VAL B 38 32.484 -24.021 -7.991 1.00 74.15 N ATOM 1211 CA VAL B 38 32.703 -25.368 -7.476 1.00 2.23 C ATOM 1212 C VAL B 38 33.045 -26.337 -8.602 1.00 45.44 C ATOM 1213 O VAL B 38 33.918 -27.192 -8.455 1.00 14.02 O ATOM 1214 CB VAL B 38 31.465 -25.889 -6.723 1.00 11.23 C ATOM 1215 CG1 VAL B 38 31.699 -27.309 -6.230 1.00 20.41 C ATOM 1216 CG2 VAL B 38 31.118 -24.965 -5.565 1.00 31.42 C ATOM 0 H VAL B 38 31.550 -23.650 -7.817 1.00 74.15 H new ATOM 0 HA VAL B 38 33.542 -25.310 -6.783 1.00 2.23 H new ATOM 0 HB VAL B 38 30.621 -25.903 -7.413 1.00 11.23 H new ATOM 0 HG11 VAL B 38 30.814 -27.661 -5.700 1.00 20.41 H new ATOM 0 HG12 VAL B 38 31.896 -27.962 -7.081 1.00 20.41 H new ATOM 0 HG13 VAL B 38 32.555 -27.324 -5.555 1.00 20.41 H new ATOM 0 HG21 VAL B 38 30.241 -25.348 -5.044 1.00 31.42 H new ATOM 0 HG22 VAL B 38 31.959 -24.917 -4.873 1.00 31.42 H new ATOM 0 HG23 VAL B 38 30.905 -23.967 -5.947 1.00 31.42 H new ATOM 1226 N MET B 39 32.351 -26.197 -9.727 1.00 64.54 N ATOM 1227 CA MET B 39 32.583 -27.060 -10.880 1.00 75.40 C ATOM 1228 C MET B 39 33.937 -26.765 -11.516 1.00 62.05 C ATOM 1229 O MET B 39 34.639 -27.676 -11.958 1.00 45.22 O ATOM 1230 CB MET B 39 31.470 -26.876 -11.913 1.00 30.12 C ATOM 1231 CG MET B 39 30.522 -28.060 -12.003 1.00 4.42 C ATOM 1232 SD MET B 39 31.221 -29.442 -12.927 1.00 62.03 S ATOM 1233 CE MET B 39 31.320 -30.690 -11.646 1.00 5.11 C ATOM 0 H MET B 39 31.624 -25.495 -9.865 1.00 64.54 H new ATOM 0 HA MET B 39 32.581 -28.094 -10.535 1.00 75.40 H new ATOM 0 HB2 MET B 39 30.899 -25.982 -11.664 1.00 30.12 H new ATOM 0 HB3 MET B 39 31.919 -26.705 -12.892 1.00 30.12 H new ATOM 0 HG2 MET B 39 30.266 -28.393 -10.997 1.00 4.42 H new ATOM 0 HG3 MET B 39 29.594 -27.742 -12.479 1.00 4.42 H new ATOM 0 HE1 MET B 39 31.735 -31.608 -12.063 1.00 5.11 H new ATOM 0 HE2 MET B 39 31.963 -30.335 -10.841 1.00 5.11 H new ATOM 0 HE3 MET B 39 30.323 -30.888 -11.253 1.00 5.11 H new ATOM 1243 N LEU B 40 34.300 -25.488 -11.560 1.00 73.54 N ATOM 1244 CA LEU B 40 35.571 -25.073 -12.143 1.00 15.22 C ATOM 1245 C LEU B 40 36.744 -25.614 -11.333 1.00 21.40 C ATOM 1246 O LEU B 40 37.737 -26.080 -11.892 1.00 31.53 O ATOM 1247 CB LEU B 40 35.647 -23.547 -12.216 1.00 21.30 C ATOM 1248 CG LEU B 40 35.854 -22.951 -13.609 1.00 24.04 C ATOM 1249 CD1 LEU B 40 37.063 -23.579 -14.284 1.00 34.54 C ATOM 1250 CD2 LEU B 40 34.607 -23.139 -14.461 1.00 61.34 C ATOM 0 H LEU B 40 33.732 -24.722 -11.199 1.00 73.54 H new ATOM 0 HA LEU B 40 35.631 -25.482 -13.152 1.00 15.22 H new ATOM 0 HB2 LEU B 40 34.726 -23.137 -11.800 1.00 21.30 H new ATOM 0 HB3 LEU B 40 36.463 -23.213 -11.575 1.00 21.30 H new ATOM 0 HG LEU B 40 36.038 -21.882 -13.502 1.00 24.04 H new ATOM 0 HD11 LEU B 40 37.195 -23.143 -15.274 1.00 34.54 H new ATOM 0 HD12 LEU B 40 37.953 -23.391 -13.684 1.00 34.54 H new ATOM 0 HD13 LEU B 40 36.909 -24.654 -14.379 1.00 34.54 H new ATOM 0 HD21 LEU B 40 34.773 -22.709 -15.449 1.00 61.34 H new ATOM 0 HD22 LEU B 40 34.391 -24.203 -14.560 1.00 61.34 H new ATOM 0 HD23 LEU B 40 33.763 -22.640 -13.985 1.00 61.34 H new ATOM 1262 N LYS B 41 36.623 -25.550 -10.011 1.00 1.44 N ATOM 1263 CA LYS B 41 37.671 -26.036 -9.121 1.00 5.03 C ATOM 1264 C LYS B 41 37.614 -27.555 -8.993 1.00 34.12 C ATOM 1265 O LYS B 41 38.624 -28.204 -8.720 1.00 50.41 O ATOM 1266 CB LYS B 41 37.536 -25.391 -7.740 1.00 51.44 C ATOM 1267 CG LYS B 41 36.380 -25.941 -6.922 1.00 43.13 C ATOM 1268 CD LYS B 41 36.325 -25.311 -5.541 1.00 25.43 C ATOM 1269 CE LYS B 41 35.742 -26.269 -4.514 1.00 71.12 C ATOM 1270 NZ LYS B 41 36.713 -26.576 -3.427 1.00 71.01 N1+ ATOM 0 H LYS B 41 35.809 -25.166 -9.532 1.00 1.44 H new ATOM 0 HA LYS B 41 38.634 -25.761 -9.550 1.00 5.03 H new ATOM 0 HB2 LYS B 41 38.464 -25.538 -7.187 1.00 51.44 H new ATOM 0 HB3 LYS B 41 37.405 -24.316 -7.862 1.00 51.44 H new ATOM 0 HG2 LYS B 41 35.442 -25.755 -7.445 1.00 43.13 H new ATOM 0 HG3 LYS B 41 36.483 -27.022 -6.826 1.00 43.13 H new ATOM 0 HD2 LYS B 41 37.328 -25.014 -5.235 1.00 25.43 H new ATOM 0 HD3 LYS B 41 35.722 -24.404 -5.578 1.00 25.43 H new ATOM 0 HE2 LYS B 41 34.840 -25.834 -4.083 1.00 71.12 H new ATOM 0 HE3 LYS B 41 35.445 -27.194 -5.008 1.00 71.12 H new ATOM 0 HZ1 LYS B 41 36.278 -27.232 -2.748 1.00 71.01 H new ATOM 0 HZ2 LYS B 41 37.564 -27.014 -3.835 1.00 71.01 H new ATOM 0 HZ3 LYS B 41 36.977 -25.697 -2.939 1.00 71.01 H new ATOM 1284 N LYS B 42 36.426 -28.117 -9.191 1.00 21.54 N ATOM 1285 CA LYS B 42 36.237 -29.560 -9.100 1.00 4.10 C ATOM 1286 C LYS B 42 37.244 -30.297 -9.976 1.00 72.03 C ATOM 1287 O LYS B 42 38.108 -31.018 -9.476 1.00 14.21 O ATOM 1288 CB LYS B 42 34.812 -29.935 -9.515 1.00 31.40 C ATOM 1289 CG LYS B 42 33.868 -30.131 -8.342 1.00 25.41 C ATOM 1290 CD LYS B 42 33.908 -31.559 -7.826 1.00 31.35 C ATOM 1291 CE LYS B 42 33.961 -31.602 -6.306 1.00 35.24 C ATOM 1292 NZ LYS B 42 33.758 -32.981 -5.783 1.00 52.23 N1+ ATOM 0 H LYS B 42 35.579 -27.595 -9.416 1.00 21.54 H new ATOM 0 HA LYS B 42 36.398 -29.858 -8.064 1.00 4.10 H new ATOM 0 HB2 LYS B 42 34.414 -29.155 -10.164 1.00 31.40 H new ATOM 0 HB3 LYS B 42 34.843 -30.853 -10.102 1.00 31.40 H new ATOM 0 HG2 LYS B 42 34.137 -29.445 -7.539 1.00 25.41 H new ATOM 0 HG3 LYS B 42 32.852 -29.882 -8.646 1.00 25.41 H new ATOM 0 HD2 LYS B 42 33.027 -32.098 -8.176 1.00 31.35 H new ATOM 0 HD3 LYS B 42 34.779 -32.071 -8.236 1.00 31.35 H new ATOM 0 HE2 LYS B 42 34.924 -31.223 -5.965 1.00 35.24 H new ATOM 0 HE3 LYS B 42 33.196 -30.942 -5.897 1.00 35.24 H new ATOM 0 HZ1 LYS B 42 33.801 -32.968 -4.744 1.00 52.23 H new ATOM 0 HZ2 LYS B 42 32.828 -33.334 -6.087 1.00 52.23 H new ATOM 0 HZ3 LYS B 42 34.503 -33.606 -6.153 1.00 52.23 H new ATOM 1306 N LYS B 43 37.129 -30.111 -11.287 1.00 0.51 N ATOM 1307 CA LYS B 43 38.031 -30.756 -12.234 1.00 0.04 C ATOM 1308 C LYS B 43 39.395 -30.074 -12.237 1.00 33.40 C ATOM 1309 O LYS B 43 40.264 -30.398 -11.427 1.00 23.41 O ATOM 1310 CB LYS B 43 37.432 -30.728 -13.641 1.00 2.50 C ATOM 1311 CG LYS B 43 37.202 -32.108 -14.233 1.00 4.20 C ATOM 1312 CD LYS B 43 36.285 -32.050 -15.443 1.00 35.43 C ATOM 1313 CE LYS B 43 35.202 -33.115 -15.373 1.00 12.12 C ATOM 1314 NZ LYS B 43 34.044 -32.787 -16.250 1.00 4.51 N1+ ATOM 0 H LYS B 43 36.419 -29.518 -11.718 1.00 0.51 H new ATOM 0 HA LYS B 43 38.163 -31.792 -11.923 1.00 0.04 H new ATOM 0 HB2 LYS B 43 36.483 -30.192 -13.612 1.00 2.50 H new ATOM 0 HB3 LYS B 43 38.096 -30.166 -14.298 1.00 2.50 H new ATOM 0 HG2 LYS B 43 38.158 -32.545 -14.521 1.00 4.20 H new ATOM 0 HG3 LYS B 43 36.767 -32.761 -13.477 1.00 4.20 H new ATOM 0 HD2 LYS B 43 35.824 -31.064 -15.504 1.00 35.43 H new ATOM 0 HD3 LYS B 43 36.871 -32.185 -16.352 1.00 35.43 H new ATOM 0 HE2 LYS B 43 35.620 -34.078 -15.668 1.00 12.12 H new ATOM 0 HE3 LYS B 43 34.860 -33.218 -14.343 1.00 12.12 H new ATOM 0 HZ1 LYS B 43 33.328 -33.537 -16.174 1.00 4.51 H new ATOM 0 HZ2 LYS B 43 33.629 -31.881 -15.953 1.00 4.51 H new ATOM 0 HZ3 LYS B 43 34.365 -32.714 -17.236 1.00 4.51 H new TER 1328 LYS B 43