USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 789 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 9 GLN :FLIP amide:sc= -0.397 F(o=-1.7!,f=-1.2) USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.78 USER MOD Set 2.1: A 7 SER OG : rot -17:sc= 1.13 USER MOD Set 2.2: A 10 GLN :FLIP amide:sc= 0.554 F(o=-1.6!,f=1.7) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.143 (180deg=-0.722) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.8!) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0282 F(o=-1.3!,f=-0.028) USER MOD Single : A 23 SER OG : rot -71:sc= 0.73 USER MOD Single : A 24 ASN :FLIP amide:sc= -2.83! C(o=-8.8!,f=-2.8!) USER MOD Single : A 27 ASN : amide:sc= -0.0121 K(o=-0.012,f=-1) USER MOD Single : A 28 MET CE :methyl 134:sc= -0.147 (180deg=-0.797) USER MOD Single : A 36 SER OG : rot -54:sc= 0.441 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 0.257 (180deg=-1.21!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0.547 (180deg=0.5) USER MOD Single : A 64 THR OG1 : rot -121:sc= -0.273 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.41! K(o=-1.4!,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0972) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -135:sc= 1.28 (180deg=0.101) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.78) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= -1.23 (180deg=-1.5!) USER MOD Single : A 88 HIS : no HE2:sc= 0.443 K(o=0.44,f=-1.8!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.370 -4.448 4.102 1.00 22.51 N ATOM 2 CA MET A 1 -1.837 -5.804 4.501 1.00 31.12 C ATOM 3 C MET A 1 -0.661 -6.790 4.640 1.00 42.33 C ATOM 4 O MET A 1 -0.446 -7.364 5.709 1.00 32.21 O ATOM 5 CB MET A 1 -2.853 -6.333 3.479 1.00 61.42 C ATOM 6 CG MET A 1 -3.483 -7.663 3.870 1.00 45.51 C ATOM 7 SD MET A 1 -4.703 -8.239 2.670 1.00 50.24 S ATOM 8 CE MET A 1 -5.902 -6.906 2.716 1.00 52.33 C ATOM 0 H1 MET A 1 -2.187 -3.810 4.018 1.00 22.51 H new ATOM 0 H2 MET A 1 -0.716 -4.080 4.822 1.00 22.51 H new ATOM 0 H3 MET A 1 -0.880 -4.505 3.187 1.00 22.51 H new ATOM 0 HA MET A 1 -2.317 -5.719 5.476 1.00 31.12 H new ATOM 0 HB2 MET A 1 -3.642 -5.592 3.348 1.00 61.42 H new ATOM 0 HB3 MET A 1 -2.359 -6.446 2.514 1.00 61.42 H new ATOM 0 HG2 MET A 1 -2.700 -8.414 3.974 1.00 45.51 H new ATOM 0 HG3 MET A 1 -3.959 -7.562 4.845 1.00 45.51 H new ATOM 0 HE1 MET A 1 -6.860 -7.265 2.339 1.00 52.33 H new ATOM 0 HE2 MET A 1 -6.023 -6.561 3.743 1.00 52.33 H new ATOM 0 HE3 MET A 1 -5.553 -6.081 2.094 1.00 52.33 H new ATOM 20 N THR A 2 0.095 -6.991 3.557 1.00 33.21 N ATOM 21 CA THR A 2 1.250 -7.904 3.577 1.00 41.44 C ATOM 22 C THR A 2 2.583 -7.141 3.491 1.00 32.44 C ATOM 23 O THR A 2 3.269 -6.971 4.500 1.00 24.51 O ATOM 24 CB THR A 2 1.171 -8.946 2.428 1.00 34.42 C ATOM 25 OG1 THR A 2 0.034 -9.805 2.619 1.00 64.14 O ATOM 26 CG2 THR A 2 2.438 -9.794 2.350 1.00 64.53 C ATOM 0 H THR A 2 -0.068 -6.538 2.658 1.00 33.21 H new ATOM 0 HA THR A 2 1.213 -8.429 4.532 1.00 41.44 H new ATOM 0 HB THR A 2 1.068 -8.397 1.492 1.00 34.42 H new ATOM 0 HG1 THR A 2 -0.009 -10.458 1.889 1.00 64.14 H new ATOM 0 HG21 THR A 2 2.346 -10.512 1.535 1.00 64.53 H new ATOM 0 HG22 THR A 2 3.297 -9.148 2.170 1.00 64.53 H new ATOM 0 HG23 THR A 2 2.576 -10.329 3.290 1.00 64.53 H new ATOM 34 N ALA A 3 2.936 -6.671 2.287 1.00 13.42 N ATOM 35 CA ALA A 3 4.209 -5.963 2.062 1.00 54.33 C ATOM 36 C ALA A 3 5.426 -6.802 2.507 1.00 34.22 C ATOM 37 O ALA A 3 5.345 -8.029 2.634 1.00 73.23 O ATOM 38 CB ALA A 3 4.196 -4.614 2.786 1.00 11.02 C ATOM 0 H ALA A 3 2.359 -6.767 1.451 1.00 13.42 H new ATOM 0 HA ALA A 3 4.307 -5.795 0.989 1.00 54.33 H new ATOM 0 HB1 ALA A 3 5.141 -4.099 2.613 1.00 11.02 H new ATOM 0 HB2 ALA A 3 3.376 -4.005 2.406 1.00 11.02 H new ATOM 0 HB3 ALA A 3 4.062 -4.776 3.855 1.00 11.02 H new ATOM 44 N ALA A 4 6.564 -6.140 2.705 1.00 72.43 N ATOM 45 CA ALA A 4 7.768 -6.799 3.221 1.00 43.35 C ATOM 46 C ALA A 4 8.493 -5.911 4.250 1.00 31.34 C ATOM 47 O ALA A 4 9.376 -5.127 3.896 1.00 24.42 O ATOM 48 CB ALA A 4 8.702 -7.160 2.072 1.00 73.34 C ATOM 0 H ALA A 4 6.680 -5.144 2.516 1.00 72.43 H new ATOM 0 HA ALA A 4 7.464 -7.714 3.729 1.00 43.35 H new ATOM 0 HB1 ALA A 4 9.593 -7.649 2.467 1.00 73.34 H new ATOM 0 HB2 ALA A 4 8.191 -7.836 1.386 1.00 73.34 H new ATOM 0 HB3 ALA A 4 8.991 -6.254 1.540 1.00 73.34 H new ATOM 54 N PRO A 5 8.105 -5.996 5.539 1.00 24.13 N ATOM 55 CA PRO A 5 8.727 -5.200 6.609 1.00 21.14 C ATOM 56 C PRO A 5 10.012 -5.834 7.173 1.00 25.43 C ATOM 57 O PRO A 5 10.807 -5.158 7.830 1.00 23.22 O ATOM 58 CB PRO A 5 7.625 -5.165 7.671 1.00 51.20 C ATOM 59 CG PRO A 5 6.916 -6.473 7.519 1.00 51.53 C ATOM 60 CD PRO A 5 7.012 -6.849 6.055 1.00 64.15 C ATOM 0 HA PRO A 5 9.052 -4.220 6.258 1.00 21.14 H new ATOM 0 HB2 PRO A 5 8.042 -5.054 8.672 1.00 51.20 H new ATOM 0 HB3 PRO A 5 6.948 -4.326 7.513 1.00 51.20 H new ATOM 0 HG2 PRO A 5 7.374 -7.237 8.146 1.00 51.53 H new ATOM 0 HG3 PRO A 5 5.875 -6.388 7.830 1.00 51.53 H new ATOM 0 HD2 PRO A 5 7.238 -7.908 5.929 1.00 64.15 H new ATOM 0 HD3 PRO A 5 6.075 -6.658 5.531 1.00 64.15 H new ATOM 68 N ALA A 6 10.201 -7.131 6.917 1.00 61.31 N ATOM 69 CA ALA A 6 11.371 -7.879 7.402 1.00 35.14 C ATOM 70 C ALA A 6 11.426 -7.936 8.943 1.00 41.53 C ATOM 71 O ALA A 6 11.065 -8.947 9.552 1.00 14.11 O ATOM 72 CB ALA A 6 12.661 -7.292 6.829 1.00 14.34 C ATOM 0 H ALA A 6 9.551 -7.694 6.369 1.00 61.31 H new ATOM 0 HA ALA A 6 11.270 -8.905 7.049 1.00 35.14 H new ATOM 0 HB1 ALA A 6 13.515 -7.859 7.200 1.00 14.34 H new ATOM 0 HB2 ALA A 6 12.634 -7.347 5.741 1.00 14.34 H new ATOM 0 HB3 ALA A 6 12.755 -6.251 7.138 1.00 14.34 H new ATOM 78 N SER A 7 11.871 -6.843 9.567 1.00 44.02 N ATOM 79 CA SER A 7 11.971 -6.758 11.034 1.00 72.21 C ATOM 80 C SER A 7 11.007 -5.695 11.600 1.00 65.52 C ATOM 81 O SER A 7 10.586 -4.779 10.887 1.00 20.14 O ATOM 82 CB SER A 7 13.416 -6.438 11.457 1.00 52.14 C ATOM 83 OG SER A 7 13.778 -5.111 11.114 1.00 42.33 O ATOM 0 H SER A 7 12.170 -5.998 9.080 1.00 44.02 H new ATOM 0 HA SER A 7 11.687 -7.727 11.443 1.00 72.21 H new ATOM 0 HB2 SER A 7 13.520 -6.578 12.533 1.00 52.14 H new ATOM 0 HB3 SER A 7 14.100 -7.138 10.977 1.00 52.14 H new ATOM 0 HG SER A 7 13.150 -4.763 10.447 1.00 42.33 H new ATOM 89 N PRO A 8 10.648 -5.805 12.899 1.00 20.53 N ATOM 90 CA PRO A 8 9.733 -4.856 13.581 1.00 13.21 C ATOM 91 C PRO A 8 10.054 -3.363 13.349 1.00 33.33 C ATOM 92 O PRO A 8 9.159 -2.518 13.412 1.00 25.22 O ATOM 93 CB PRO A 8 9.914 -5.216 15.058 1.00 15.41 C ATOM 94 CG PRO A 8 10.242 -6.670 15.043 1.00 13.13 C ATOM 95 CD PRO A 8 11.083 -6.887 13.812 1.00 21.23 C ATOM 0 HA PRO A 8 8.717 -4.955 13.198 1.00 13.21 H new ATOM 0 HB2 PRO A 8 10.713 -4.632 15.515 1.00 15.41 H new ATOM 0 HB3 PRO A 8 9.007 -5.018 15.630 1.00 15.41 H new ATOM 0 HG2 PRO A 8 10.785 -6.958 15.943 1.00 13.13 H new ATOM 0 HG3 PRO A 8 9.336 -7.275 15.010 1.00 13.13 H new ATOM 0 HD2 PRO A 8 12.147 -6.819 14.036 1.00 21.23 H new ATOM 0 HD3 PRO A 8 10.911 -7.872 13.377 1.00 21.23 H new ATOM 103 N GLN A 9 11.319 -3.041 13.072 1.00 74.10 N ATOM 104 CA GLN A 9 11.746 -1.640 12.933 1.00 35.45 C ATOM 105 C GLN A 9 10.991 -0.929 11.794 1.00 25.02 C ATOM 106 O GLN A 9 10.556 0.213 11.939 1.00 52.45 O ATOM 107 CB GLN A 9 13.258 -1.567 12.665 1.00 62.34 C ATOM 108 CG GLN A 9 14.117 -2.350 13.656 1.00 11.22 C ATOM 109 CD GLN A 9 13.923 -1.916 15.101 1.00 14.02 C ATOM 110 OE1 GLN A 9 14.147 -2.828 16.024 1.00 5.51 O flip ATOM 111 NE2 GLN A 9 13.591 -0.771 15.389 1.00 11.21 N flip ATOM 0 H GLN A 9 12.065 -3.724 12.939 1.00 74.10 H new ATOM 0 HA GLN A 9 11.514 -1.133 13.870 1.00 35.45 H new ATOM 0 HB2 GLN A 9 13.454 -1.940 11.660 1.00 62.34 H new ATOM 0 HB3 GLN A 9 13.567 -0.522 12.683 1.00 62.34 H new ATOM 0 HG2 GLN A 9 13.883 -3.411 13.569 1.00 11.22 H new ATOM 0 HG3 GLN A 9 15.167 -2.232 13.387 1.00 11.22 H new ATOM 0 HE21 GLN A 9 13.425 -0.087 14.651 1.00 11.21 H new ATOM 0 HE22 GLN A 9 13.481 -0.503 16.367 1.00 11.21 H new ATOM 120 N GLN A 10 10.829 -1.615 10.668 1.00 61.21 N ATOM 121 CA GLN A 10 10.100 -1.063 9.518 1.00 54.43 C ATOM 122 C GLN A 10 8.594 -0.938 9.810 1.00 11.30 C ATOM 123 O GLN A 10 7.925 -0.029 9.313 1.00 71.11 O ATOM 124 CB GLN A 10 10.337 -1.920 8.266 1.00 30.15 C ATOM 125 CG GLN A 10 11.771 -1.855 7.725 1.00 51.51 C ATOM 126 CD GLN A 10 12.801 -2.484 8.654 1.00 64.45 C ATOM 127 OE1 GLN A 10 12.423 -3.541 9.342 1.00 53.11 O flip ATOM 128 NE2 GLN A 10 13.944 -2.043 8.730 1.00 22.23 N flip ATOM 0 H GLN A 10 11.191 -2.557 10.521 1.00 61.21 H new ATOM 0 HA GLN A 10 10.486 -0.060 9.333 1.00 54.43 H new ATOM 0 HB2 GLN A 10 10.094 -2.957 8.497 1.00 30.15 H new ATOM 0 HB3 GLN A 10 9.650 -1.599 7.483 1.00 30.15 H new ATOM 0 HG2 GLN A 10 11.809 -2.359 6.759 1.00 51.51 H new ATOM 0 HG3 GLN A 10 12.038 -0.813 7.552 1.00 51.51 H new ATOM 0 HE21 GLN A 10 14.211 -1.222 8.186 1.00 22.23 H new ATOM 0 HE22 GLN A 10 14.627 -2.497 9.337 1.00 22.23 H new ATOM 137 N ILE A 11 8.073 -1.853 10.630 1.00 3.45 N ATOM 138 CA ILE A 11 6.655 -1.841 11.018 1.00 54.44 C ATOM 139 C ILE A 11 6.289 -0.537 11.749 1.00 14.44 C ATOM 140 O ILE A 11 5.172 -0.031 11.622 1.00 61.12 O ATOM 141 CB ILE A 11 6.306 -3.053 11.924 1.00 12.53 C ATOM 142 CG1 ILE A 11 6.638 -4.369 11.200 1.00 42.14 C ATOM 143 CG2 ILE A 11 4.832 -3.019 12.334 1.00 73.24 C ATOM 144 CD1 ILE A 11 6.323 -5.611 12.009 1.00 74.42 C ATOM 0 H ILE A 11 8.611 -2.616 11.041 1.00 3.45 H new ATOM 0 HA ILE A 11 6.074 -1.909 10.098 1.00 54.44 H new ATOM 0 HB ILE A 11 6.908 -2.992 12.830 1.00 12.53 H new ATOM 0 HG12 ILE A 11 6.082 -4.407 10.263 1.00 42.14 H new ATOM 0 HG13 ILE A 11 7.697 -4.374 10.943 1.00 42.14 H new ATOM 0 HG21 ILE A 11 4.611 -3.878 12.968 1.00 73.24 H new ATOM 0 HG22 ILE A 11 4.628 -2.100 12.884 1.00 73.24 H new ATOM 0 HG23 ILE A 11 4.206 -3.055 11.443 1.00 73.24 H new ATOM 0 HD11 ILE A 11 6.585 -6.498 11.431 1.00 74.42 H new ATOM 0 HD12 ILE A 11 6.899 -5.598 12.934 1.00 74.42 H new ATOM 0 HD13 ILE A 11 5.259 -5.632 12.244 1.00 74.42 H new ATOM 156 N ARG A 12 7.250 0.010 12.493 1.00 42.41 N ATOM 157 CA ARG A 12 7.051 1.250 13.256 1.00 43.01 C ATOM 158 C ARG A 12 6.570 2.396 12.350 1.00 21.55 C ATOM 159 O ARG A 12 5.612 3.100 12.674 1.00 73.23 O ATOM 160 CB ARG A 12 8.377 1.646 13.920 1.00 74.22 C ATOM 161 CG ARG A 12 8.303 2.876 14.823 1.00 30.21 C ATOM 162 CD ARG A 12 9.699 3.393 15.159 1.00 53.02 C ATOM 163 NE ARG A 12 9.698 4.350 16.265 1.00 43.11 N ATOM 164 CZ ARG A 12 10.113 5.585 16.172 1.00 32.02 C ATOM 165 NH1 ARG A 12 10.479 6.082 15.034 1.00 74.24 N1+ ATOM 166 NH2 ARG A 12 10.166 6.324 17.230 1.00 44.04 N ATOM 0 H ARG A 12 8.184 -0.388 12.586 1.00 42.41 H new ATOM 0 HA ARG A 12 6.285 1.072 14.010 1.00 43.01 H new ATOM 0 HB2 ARG A 12 8.738 0.803 14.509 1.00 74.22 H new ATOM 0 HB3 ARG A 12 9.116 1.830 13.140 1.00 74.22 H new ATOM 0 HG2 ARG A 12 7.730 3.661 14.329 1.00 30.21 H new ATOM 0 HG3 ARG A 12 7.773 2.625 15.742 1.00 30.21 H new ATOM 0 HD2 ARG A 12 10.342 2.550 15.414 1.00 53.02 H new ATOM 0 HD3 ARG A 12 10.129 3.866 14.276 1.00 53.02 H new ATOM 0 HE ARG A 12 9.350 4.032 17.169 1.00 43.11 H new ATOM 0 HH11 ARG A 12 10.446 5.507 14.192 1.00 74.24 H new ATOM 0 HH12 ARG A 12 10.800 7.048 14.979 1.00 74.24 H new ATOM 0 HH21 ARG A 12 9.884 5.943 18.133 1.00 44.04 H new ATOM 0 HH22 ARG A 12 10.489 7.289 17.162 1.00 44.04 H new ATOM 180 N ASP A 13 7.224 2.558 11.199 1.00 4.14 N ATOM 181 CA ASP A 13 6.889 3.632 10.253 1.00 50.44 C ATOM 182 C ASP A 13 5.430 3.524 9.767 1.00 74.54 C ATOM 183 O ASP A 13 4.768 4.536 9.523 1.00 53.24 O ATOM 184 CB ASP A 13 7.854 3.592 9.059 1.00 74.52 C ATOM 185 CG ASP A 13 7.686 4.778 8.120 1.00 43.51 C ATOM 186 OD1 ASP A 13 6.915 4.673 7.144 1.00 32.34 O ATOM 187 OD2 ASP A 13 8.332 5.819 8.345 1.00 61.53 O1- ATOM 0 H ASP A 13 7.992 1.959 10.896 1.00 4.14 H new ATOM 0 HA ASP A 13 6.993 4.585 10.771 1.00 50.44 H new ATOM 0 HB2 ASP A 13 8.879 3.570 9.428 1.00 74.52 H new ATOM 0 HB3 ASP A 13 7.696 2.669 8.502 1.00 74.52 H new ATOM 192 N ARG A 14 4.933 2.291 9.648 1.00 64.24 N ATOM 193 CA ARG A 14 3.566 2.041 9.169 1.00 62.13 C ATOM 194 C ARG A 14 2.512 2.705 10.078 1.00 64.30 C ATOM 195 O ARG A 14 1.471 3.157 9.606 1.00 62.50 O ATOM 196 CB ARG A 14 3.290 0.531 9.099 1.00 72.22 C ATOM 197 CG ARG A 14 4.294 -0.281 8.275 1.00 40.11 C ATOM 198 CD ARG A 14 4.241 0.037 6.779 1.00 65.15 C ATOM 199 NE ARG A 14 4.900 1.302 6.452 1.00 13.41 N ATOM 200 CZ ARG A 14 6.003 1.399 5.756 1.00 71.52 C ATOM 201 NH1 ARG A 14 6.586 0.344 5.283 1.00 44.33 N1+ ATOM 202 NH2 ARG A 14 6.519 2.557 5.533 1.00 42.43 N ATOM 0 H ARG A 14 5.456 1.446 9.877 1.00 64.24 H new ATOM 0 HA ARG A 14 3.489 2.478 8.173 1.00 62.13 H new ATOM 0 HB2 ARG A 14 3.273 0.134 10.114 1.00 72.22 H new ATOM 0 HB3 ARG A 14 2.295 0.379 8.681 1.00 72.22 H new ATOM 0 HG2 ARG A 14 5.300 -0.087 8.646 1.00 40.11 H new ATOM 0 HG3 ARG A 14 4.100 -1.344 8.421 1.00 40.11 H new ATOM 0 HD2 ARG A 14 4.715 -0.771 6.222 1.00 65.15 H new ATOM 0 HD3 ARG A 14 3.201 0.079 6.456 1.00 65.15 H new ATOM 0 HE ARG A 14 4.471 2.164 6.789 1.00 13.41 H new ATOM 0 HH11 ARG A 14 6.185 -0.579 5.451 1.00 44.33 H new ATOM 0 HH12 ARG A 14 7.446 0.436 4.742 1.00 44.33 H new ATOM 0 HH21 ARG A 14 6.068 3.395 5.899 1.00 42.43 H new ATOM 0 HH22 ARG A 14 7.379 2.636 4.991 1.00 42.43 H new ATOM 216 N LEU A 15 2.782 2.746 11.381 1.00 24.32 N ATOM 217 CA LEU A 15 1.835 3.304 12.359 1.00 31.22 C ATOM 218 C LEU A 15 1.697 4.837 12.214 1.00 30.51 C ATOM 219 O LEU A 15 0.588 5.371 12.152 1.00 51.41 O ATOM 220 CB LEU A 15 2.289 2.941 13.789 1.00 62.42 C ATOM 221 CG LEU A 15 1.165 2.682 14.817 1.00 65.12 C ATOM 222 CD1 LEU A 15 1.750 2.427 16.204 1.00 54.11 C ATOM 223 CD2 LEU A 15 0.166 3.835 14.860 1.00 24.12 C ATOM 0 H LEU A 15 3.650 2.400 11.790 1.00 24.32 H new ATOM 0 HA LEU A 15 0.855 2.868 12.165 1.00 31.22 H new ATOM 0 HB2 LEU A 15 2.915 2.050 13.734 1.00 62.42 H new ATOM 0 HB3 LEU A 15 2.917 3.749 14.164 1.00 62.42 H new ATOM 0 HG LEU A 15 0.627 1.790 14.497 1.00 65.12 H new ATOM 0 HD11 LEU A 15 0.941 2.247 16.912 1.00 54.11 H new ATOM 0 HD12 LEU A 15 2.403 1.555 16.169 1.00 54.11 H new ATOM 0 HD13 LEU A 15 2.324 3.297 16.522 1.00 54.11 H new ATOM 0 HD21 LEU A 15 -0.610 3.617 15.594 1.00 24.12 H new ATOM 0 HD22 LEU A 15 0.682 4.753 15.139 1.00 24.12 H new ATOM 0 HD23 LEU A 15 -0.289 3.959 13.877 1.00 24.12 H new ATOM 235 N LEU A 16 2.833 5.529 12.136 1.00 3.15 N ATOM 236 CA LEU A 16 2.872 7.005 12.183 1.00 32.34 C ATOM 237 C LEU A 16 1.987 7.680 11.114 1.00 1.33 C ATOM 238 O LEU A 16 1.510 8.796 11.315 1.00 13.24 O ATOM 239 CB LEU A 16 4.321 7.510 12.054 1.00 4.00 C ATOM 240 CG LEU A 16 5.189 7.390 13.325 1.00 13.23 C ATOM 241 CD1 LEU A 16 5.372 5.933 13.743 1.00 50.24 C ATOM 242 CD2 LEU A 16 6.545 8.065 13.118 1.00 61.11 C ATOM 0 H LEU A 16 3.750 5.094 12.039 1.00 3.15 H new ATOM 0 HA LEU A 16 2.462 7.286 13.153 1.00 32.34 H new ATOM 0 HB2 LEU A 16 4.808 6.958 11.250 1.00 4.00 H new ATOM 0 HB3 LEU A 16 4.296 8.557 11.752 1.00 4.00 H new ATOM 0 HG LEU A 16 4.665 7.903 14.132 1.00 13.23 H new ATOM 0 HD11 LEU A 16 5.988 5.887 14.641 1.00 50.24 H new ATOM 0 HD12 LEU A 16 4.398 5.488 13.948 1.00 50.24 H new ATOM 0 HD13 LEU A 16 5.861 5.382 12.939 1.00 50.24 H new ATOM 0 HD21 LEU A 16 7.141 7.969 14.025 1.00 61.11 H new ATOM 0 HD22 LEU A 16 7.067 7.587 12.289 1.00 61.11 H new ATOM 0 HD23 LEU A 16 6.395 9.121 12.892 1.00 61.11 H new ATOM 254 N GLN A 17 1.771 7.014 9.985 1.00 12.34 N ATOM 255 CA GLN A 17 0.977 7.595 8.890 1.00 13.35 C ATOM 256 C GLN A 17 -0.538 7.561 9.175 1.00 64.51 C ATOM 257 O GLN A 17 -1.324 8.199 8.470 1.00 12.33 O ATOM 258 CB GLN A 17 1.307 6.886 7.561 1.00 31.12 C ATOM 259 CG GLN A 17 1.104 5.366 7.571 1.00 53.30 C ATOM 260 CD GLN A 17 -0.342 4.935 7.364 1.00 23.43 C ATOM 261 OE1 GLN A 17 -1.113 5.602 6.683 1.00 35.14 O ATOM 262 NE2 GLN A 17 -0.720 3.818 7.957 1.00 34.14 N ATOM 0 H GLN A 17 2.129 6.077 9.797 1.00 12.34 H new ATOM 0 HA GLN A 17 1.252 8.647 8.810 1.00 13.35 H new ATOM 0 HB2 GLN A 17 0.687 7.315 6.774 1.00 31.12 H new ATOM 0 HB3 GLN A 17 2.344 7.097 7.301 1.00 31.12 H new ATOM 0 HG2 GLN A 17 1.721 4.922 6.790 1.00 53.30 H new ATOM 0 HG3 GLN A 17 1.459 4.968 8.522 1.00 53.30 H new ATOM 0 HE21 GLN A 17 -0.053 3.287 8.517 1.00 34.14 H new ATOM 0 HE22 GLN A 17 -1.679 3.486 7.855 1.00 34.14 H new ATOM 271 N ALA A 18 -0.941 6.826 10.212 1.00 24.40 N ATOM 272 CA ALA A 18 -2.363 6.656 10.544 1.00 23.02 C ATOM 273 C ALA A 18 -2.841 7.633 11.630 1.00 22.50 C ATOM 274 O ALA A 18 -4.024 7.991 11.687 1.00 10.51 O ATOM 275 CB ALA A 18 -2.606 5.223 11.000 1.00 75.12 C ATOM 0 H ALA A 18 -0.304 6.336 10.840 1.00 24.40 H new ATOM 0 HA ALA A 18 -2.937 6.875 9.643 1.00 23.02 H new ATOM 0 HB1 ALA A 18 -3.660 5.094 11.247 1.00 75.12 H new ATOM 0 HB2 ALA A 18 -2.334 4.535 10.199 1.00 75.12 H new ATOM 0 HB3 ALA A 18 -1.999 5.013 11.880 1.00 75.12 H new ATOM 281 N ILE A 19 -1.923 8.065 12.486 1.00 41.15 N ATOM 282 CA ILE A 19 -2.267 8.910 13.638 1.00 62.20 C ATOM 283 C ILE A 19 -1.193 9.972 13.917 1.00 34.33 C ATOM 284 O ILE A 19 -0.085 9.913 13.384 1.00 4.40 O ATOM 285 CB ILE A 19 -2.455 8.067 14.931 1.00 54.42 C ATOM 286 CG1 ILE A 19 -1.148 7.342 15.297 1.00 34.43 C ATOM 287 CG2 ILE A 19 -3.606 7.071 14.778 1.00 71.43 C ATOM 288 CD1 ILE A 19 -1.205 6.604 16.618 1.00 73.05 C ATOM 0 H ILE A 19 -0.930 7.847 12.409 1.00 41.15 H new ATOM 0 HA ILE A 19 -3.204 9.401 13.374 1.00 62.20 H new ATOM 0 HB ILE A 19 -2.710 8.747 15.744 1.00 54.42 H new ATOM 0 HG12 ILE A 19 -0.904 6.633 14.506 1.00 34.43 H new ATOM 0 HG13 ILE A 19 -0.338 8.070 15.334 1.00 34.43 H new ATOM 0 HG21 ILE A 19 -3.714 6.496 15.697 1.00 71.43 H new ATOM 0 HG22 ILE A 19 -4.531 7.612 14.578 1.00 71.43 H new ATOM 0 HG23 ILE A 19 -3.394 6.395 13.950 1.00 71.43 H new ATOM 0 HD11 ILE A 19 -0.247 6.119 16.805 1.00 73.05 H new ATOM 0 HD12 ILE A 19 -1.417 7.310 17.421 1.00 73.05 H new ATOM 0 HD13 ILE A 19 -1.992 5.851 16.580 1.00 73.05 H new ATOM 300 N ASP A 20 -1.544 10.950 14.748 1.00 43.01 N ATOM 301 CA ASP A 20 -0.574 11.923 15.249 1.00 12.42 C ATOM 302 C ASP A 20 0.213 11.327 16.437 1.00 1.10 C ATOM 303 O ASP A 20 -0.333 10.538 17.215 1.00 21.10 O ATOM 304 CB ASP A 20 -1.286 13.212 15.674 1.00 54.13 C ATOM 305 CG ASP A 20 -2.040 13.870 14.531 1.00 11.13 C ATOM 306 OD1 ASP A 20 -1.382 14.442 13.637 1.00 52.14 O ATOM 307 OD2 ASP A 20 -3.290 13.823 14.523 1.00 74.21 O1- ATOM 0 H ASP A 20 -2.495 11.091 15.090 1.00 43.01 H new ATOM 0 HA ASP A 20 0.128 12.162 14.450 1.00 12.42 H new ATOM 0 HB2 ASP A 20 -1.983 12.988 16.482 1.00 54.13 H new ATOM 0 HB3 ASP A 20 -0.552 13.913 16.071 1.00 54.13 H new ATOM 312 N PRO A 21 1.497 11.714 16.607 1.00 71.14 N ATOM 313 CA PRO A 21 2.398 11.123 17.627 1.00 21.45 C ATOM 314 C PRO A 21 1.805 11.051 19.052 1.00 60.41 C ATOM 315 O PRO A 21 2.247 10.246 19.872 1.00 51.21 O ATOM 316 CB PRO A 21 3.614 12.057 17.598 1.00 45.01 C ATOM 317 CG PRO A 21 3.628 12.609 16.213 1.00 62.42 C ATOM 318 CD PRO A 21 2.182 12.761 15.817 1.00 62.22 C ATOM 0 HA PRO A 21 2.613 10.080 17.393 1.00 21.45 H new ATOM 0 HB2 PRO A 21 3.523 12.850 18.340 1.00 45.01 H new ATOM 0 HB3 PRO A 21 4.535 11.517 17.819 1.00 45.01 H new ATOM 0 HG2 PRO A 21 4.145 13.568 16.179 1.00 62.42 H new ATOM 0 HG3 PRO A 21 4.152 11.940 15.531 1.00 62.42 H new ATOM 0 HD2 PRO A 21 1.803 13.755 16.054 1.00 62.22 H new ATOM 0 HD3 PRO A 21 2.041 12.613 14.746 1.00 62.22 H new ATOM 326 N GLN A 22 0.809 11.887 19.347 1.00 13.02 N ATOM 327 CA GLN A 22 0.151 11.875 20.663 1.00 11.54 C ATOM 328 C GLN A 22 -1.012 10.854 20.709 1.00 53.21 C ATOM 329 O GLN A 22 -1.943 10.988 21.504 1.00 52.13 O ATOM 330 CB GLN A 22 -0.358 13.283 21.017 1.00 20.54 C ATOM 331 CG GLN A 22 -0.805 13.437 22.470 1.00 44.32 C ATOM 332 CD GLN A 22 -1.496 14.760 22.748 1.00 61.43 C ATOM 333 OE1 GLN A 22 -2.186 15.296 21.763 1.00 50.24 O flip ATOM 334 NE2 GLN A 22 -1.433 15.288 23.854 1.00 34.31 N flip ATOM 0 H GLN A 22 0.438 12.581 18.698 1.00 13.02 H new ATOM 0 HA GLN A 22 0.891 11.568 21.402 1.00 11.54 H new ATOM 0 HB2 GLN A 22 0.432 14.005 20.813 1.00 20.54 H new ATOM 0 HB3 GLN A 22 -1.194 13.531 20.363 1.00 20.54 H new ATOM 0 HG2 GLN A 22 -1.482 12.621 22.723 1.00 44.32 H new ATOM 0 HG3 GLN A 22 0.064 13.344 23.122 1.00 44.32 H new ATOM 0 HE21 GLN A 22 -0.891 14.850 24.598 1.00 34.31 H new ATOM 0 HE22 GLN A 22 -1.923 16.165 24.029 1.00 34.31 H new ATOM 343 N SER A 23 -0.961 9.842 19.839 1.00 24.32 N ATOM 344 CA SER A 23 -1.946 8.740 19.846 1.00 4.44 C ATOM 345 C SER A 23 -3.369 9.196 19.457 1.00 32.31 C ATOM 346 O SER A 23 -4.358 8.594 19.882 1.00 64.23 O ATOM 347 CB SER A 23 -1.988 8.077 21.237 1.00 21.15 C ATOM 348 OG SER A 23 -0.724 7.537 21.601 1.00 0.40 O ATOM 0 H SER A 23 -0.247 9.757 19.115 1.00 24.32 H new ATOM 0 HA SER A 23 -1.616 8.026 19.091 1.00 4.44 H new ATOM 0 HB2 SER A 23 -2.298 8.811 21.981 1.00 21.15 H new ATOM 0 HB3 SER A 23 -2.737 7.285 21.240 1.00 21.15 H new ATOM 0 HG SER A 23 -0.538 6.744 21.056 1.00 0.40 H new ATOM 354 N ASN A 24 -3.479 10.227 18.617 1.00 44.01 N ATOM 355 CA ASN A 24 -4.797 10.713 18.167 1.00 60.33 C ATOM 356 C ASN A 24 -5.037 10.398 16.678 1.00 30.44 C ATOM 357 O ASN A 24 -4.153 10.567 15.842 1.00 70.02 O ATOM 358 CB ASN A 24 -4.985 12.216 18.464 1.00 45.12 C ATOM 359 CG ASN A 24 -3.781 13.080 18.129 1.00 51.22 C ATOM 360 OD1 ASN A 24 -2.623 12.732 18.649 1.00 2.12 O flip ATOM 361 ND2 ASN A 24 -3.905 14.101 17.467 1.00 51.21 N flip ATOM 0 H ASN A 24 -2.685 10.741 18.235 1.00 44.01 H new ATOM 0 HA ASN A 24 -5.551 10.175 18.741 1.00 60.33 H new ATOM 0 HB2 ASN A 24 -5.845 12.580 17.902 1.00 45.12 H new ATOM 0 HB3 ASN A 24 -5.221 12.338 19.521 1.00 45.12 H new ATOM 0 HD21 ASN A 24 -4.814 14.348 17.075 1.00 51.21 H new ATOM 0 HD22 ASN A 24 -3.099 14.706 17.307 1.00 51.21 H new ATOM 368 N ILE A 25 -6.253 9.944 16.366 1.00 64.31 N ATOM 369 CA ILE A 25 -6.582 9.389 15.043 1.00 33.44 C ATOM 370 C ILE A 25 -6.586 10.444 13.924 1.00 73.42 C ATOM 371 O ILE A 25 -7.142 11.536 14.076 1.00 23.14 O ATOM 372 CB ILE A 25 -7.973 8.694 15.065 1.00 54.24 C ATOM 373 CG1 ILE A 25 -7.996 7.543 16.083 1.00 0.03 C ATOM 374 CG2 ILE A 25 -8.352 8.181 13.673 1.00 54.22 C ATOM 375 CD1 ILE A 25 -7.112 6.373 15.708 1.00 40.03 C ATOM 0 H ILE A 25 -7.037 9.949 17.018 1.00 64.31 H new ATOM 0 HA ILE A 25 -5.794 8.668 14.826 1.00 33.44 H new ATOM 0 HB ILE A 25 -8.710 9.437 15.369 1.00 54.24 H new ATOM 0 HG12 ILE A 25 -7.683 7.925 17.055 1.00 0.03 H new ATOM 0 HG13 ILE A 25 -9.021 7.190 16.194 1.00 0.03 H new ATOM 0 HG21 ILE A 25 -9.329 7.699 13.716 1.00 54.22 H new ATOM 0 HG22 ILE A 25 -8.390 9.017 12.975 1.00 54.22 H new ATOM 0 HG23 ILE A 25 -7.607 7.461 13.335 1.00 54.22 H new ATOM 0 HD11 ILE A 25 -7.183 5.603 16.476 1.00 40.03 H new ATOM 0 HD12 ILE A 25 -7.437 5.963 14.752 1.00 40.03 H new ATOM 0 HD13 ILE A 25 -6.078 6.709 15.626 1.00 40.03 H new ATOM 387 N ARG A 26 -5.943 10.110 12.803 1.00 71.34 N ATOM 388 CA ARG A 26 -6.106 10.878 11.563 1.00 72.40 C ATOM 389 C ARG A 26 -6.880 10.047 10.529 1.00 70.20 C ATOM 390 O ARG A 26 -7.824 10.525 9.903 1.00 63.10 O ATOM 391 CB ARG A 26 -4.737 11.260 10.980 1.00 64.42 C ATOM 392 CG ARG A 26 -3.814 11.967 11.964 1.00 60.10 C ATOM 393 CD ARG A 26 -2.518 12.408 11.295 1.00 62.11 C ATOM 394 NE ARG A 26 -2.754 13.424 10.273 1.00 45.42 N ATOM 395 CZ ARG A 26 -1.940 13.690 9.290 1.00 1.04 C ATOM 396 NH1 ARG A 26 -0.841 13.024 9.137 1.00 11.03 N1+ ATOM 397 NH2 ARG A 26 -2.235 14.631 8.454 1.00 21.03 N ATOM 0 H ARG A 26 -5.307 9.316 12.726 1.00 71.34 H new ATOM 0 HA ARG A 26 -6.661 11.787 11.795 1.00 72.40 H new ATOM 0 HB2 ARG A 26 -4.243 10.357 10.620 1.00 64.42 H new ATOM 0 HB3 ARG A 26 -4.890 11.905 10.115 1.00 64.42 H new ATOM 0 HG2 ARG A 26 -4.323 12.836 12.382 1.00 60.10 H new ATOM 0 HG3 ARG A 26 -3.587 11.300 12.795 1.00 60.10 H new ATOM 0 HD2 ARG A 26 -1.836 12.802 12.048 1.00 62.11 H new ATOM 0 HD3 ARG A 26 -2.030 11.544 10.843 1.00 62.11 H new ATOM 0 HE ARG A 26 -3.617 13.964 10.332 1.00 45.42 H new ATOM 0 HH11 ARG A 26 -0.601 12.279 9.791 1.00 11.03 H new ATOM 0 HH12 ARG A 26 -0.215 13.244 8.363 1.00 11.03 H new ATOM 0 HH21 ARG A 26 -3.100 15.160 8.566 1.00 21.03 H new ATOM 0 HH22 ARG A 26 -1.603 14.845 7.683 1.00 21.03 H new ATOM 411 N ASN A 27 -6.482 8.782 10.388 1.00 5.00 N ATOM 412 CA ASN A 27 -7.116 7.847 9.449 1.00 30.41 C ATOM 413 C ASN A 27 -7.310 6.457 10.081 1.00 51.10 C ATOM 414 O ASN A 27 -6.341 5.724 10.283 1.00 40.03 O ATOM 415 CB ASN A 27 -6.265 7.728 8.176 1.00 31.13 C ATOM 416 CG ASN A 27 -6.379 8.947 7.277 1.00 35.30 C ATOM 417 OD1 ASN A 27 -7.421 9.585 7.202 1.00 14.34 O ATOM 418 ND2 ASN A 27 -5.308 9.283 6.587 1.00 72.14 N ATOM 0 H ASN A 27 -5.713 8.374 10.919 1.00 5.00 H new ATOM 0 HA ASN A 27 -8.100 8.241 9.196 1.00 30.41 H new ATOM 0 HB2 ASN A 27 -5.221 7.584 8.454 1.00 31.13 H new ATOM 0 HB3 ASN A 27 -6.572 6.842 7.620 1.00 31.13 H new ATOM 0 HD21 ASN A 27 -5.333 10.094 5.969 1.00 72.14 H new ATOM 0 HD22 ASN A 27 -4.454 8.732 6.670 1.00 72.14 H new ATOM 425 N MET A 28 -8.558 6.090 10.378 1.00 32.24 N ATOM 426 CA MET A 28 -8.860 4.761 10.933 1.00 45.23 C ATOM 427 C MET A 28 -8.484 3.657 9.929 1.00 3.31 C ATOM 428 O MET A 28 -7.933 2.620 10.301 1.00 14.41 O ATOM 429 CB MET A 28 -10.349 4.651 11.299 1.00 75.43 C ATOM 430 CG MET A 28 -10.709 3.362 12.036 1.00 61.32 C ATOM 431 SD MET A 28 -12.488 3.153 12.255 1.00 43.33 S ATOM 432 CE MET A 28 -13.024 3.003 10.550 1.00 71.34 C ATOM 0 H MET A 28 -9.374 6.687 10.246 1.00 32.24 H new ATOM 0 HA MET A 28 -8.267 4.630 11.838 1.00 45.23 H new ATOM 0 HB2 MET A 28 -10.625 5.503 11.920 1.00 75.43 H new ATOM 0 HB3 MET A 28 -10.943 4.716 10.388 1.00 75.43 H new ATOM 0 HG2 MET A 28 -10.313 2.510 11.483 1.00 61.32 H new ATOM 0 HG3 MET A 28 -10.225 3.360 13.013 1.00 61.32 H new ATOM 0 HE1 MET A 28 -13.718 2.167 10.459 1.00 71.34 H new ATOM 0 HE2 MET A 28 -13.522 3.923 10.243 1.00 71.34 H new ATOM 0 HE3 MET A 28 -12.159 2.828 9.911 1.00 71.34 H new ATOM 442 N VAL A 29 -8.784 3.898 8.651 1.00 15.53 N ATOM 443 CA VAL A 29 -8.414 2.971 7.571 1.00 33.21 C ATOM 444 C VAL A 29 -6.896 2.713 7.547 1.00 14.41 C ATOM 445 O VAL A 29 -6.445 1.589 7.321 1.00 53.40 O ATOM 446 CB VAL A 29 -8.875 3.516 6.189 1.00 42.43 C ATOM 447 CG1 VAL A 29 -8.309 4.912 5.929 1.00 2.34 C ATOM 448 CG2 VAL A 29 -8.495 2.554 5.061 1.00 64.30 C ATOM 0 H VAL A 29 -9.284 4.729 8.335 1.00 15.53 H new ATOM 0 HA VAL A 29 -8.922 2.027 7.768 1.00 33.21 H new ATOM 0 HB VAL A 29 -9.962 3.594 6.211 1.00 42.43 H new ATOM 0 HG11 VAL A 29 -8.648 5.267 4.956 1.00 2.34 H new ATOM 0 HG12 VAL A 29 -8.655 5.595 6.705 1.00 2.34 H new ATOM 0 HG13 VAL A 29 -7.220 4.871 5.941 1.00 2.34 H new ATOM 0 HG21 VAL A 29 -8.830 2.961 4.107 1.00 64.30 H new ATOM 0 HG22 VAL A 29 -7.413 2.426 5.041 1.00 64.30 H new ATOM 0 HG23 VAL A 29 -8.971 1.588 5.230 1.00 64.30 H new ATOM 458 N ALA A 30 -6.118 3.761 7.804 1.00 33.10 N ATOM 459 CA ALA A 30 -4.659 3.658 7.829 1.00 53.33 C ATOM 460 C ALA A 30 -4.170 2.853 9.045 1.00 0.13 C ATOM 461 O ALA A 30 -3.133 2.191 8.982 1.00 53.54 O ATOM 462 CB ALA A 30 -4.037 5.047 7.813 1.00 61.21 C ATOM 0 H ALA A 30 -6.474 4.697 7.999 1.00 33.10 H new ATOM 0 HA ALA A 30 -4.342 3.120 6.936 1.00 53.33 H new ATOM 0 HB1 ALA A 30 -2.951 4.959 7.832 1.00 61.21 H new ATOM 0 HB2 ALA A 30 -4.343 5.572 6.908 1.00 61.21 H new ATOM 0 HB3 ALA A 30 -4.371 5.605 8.687 1.00 61.21 H new ATOM 468 N VAL A 31 -4.914 2.918 10.153 1.00 51.32 N ATOM 469 CA VAL A 31 -4.595 2.127 11.351 1.00 44.12 C ATOM 470 C VAL A 31 -4.553 0.624 11.029 1.00 63.33 C ATOM 471 O VAL A 31 -3.586 -0.067 11.345 1.00 62.03 O ATOM 472 CB VAL A 31 -5.622 2.390 12.488 1.00 52.34 C ATOM 473 CG1 VAL A 31 -5.461 1.391 13.631 1.00 55.44 C ATOM 474 CG2 VAL A 31 -5.489 3.816 13.011 1.00 70.24 C ATOM 0 H VAL A 31 -5.740 3.508 10.248 1.00 51.32 H new ATOM 0 HA VAL A 31 -3.608 2.441 11.691 1.00 44.12 H new ATOM 0 HB VAL A 31 -6.619 2.260 12.067 1.00 52.34 H new ATOM 0 HG11 VAL A 31 -6.195 1.605 14.408 1.00 55.44 H new ATOM 0 HG12 VAL A 31 -5.615 0.380 13.255 1.00 55.44 H new ATOM 0 HG13 VAL A 31 -4.457 1.474 14.048 1.00 55.44 H new ATOM 0 HG21 VAL A 31 -6.216 3.981 13.806 1.00 70.24 H new ATOM 0 HG22 VAL A 31 -4.483 3.968 13.402 1.00 70.24 H new ATOM 0 HG23 VAL A 31 -5.673 4.520 12.199 1.00 70.24 H new ATOM 484 N LEU A 32 -5.598 0.133 10.373 1.00 32.34 N ATOM 485 CA LEU A 32 -5.691 -1.285 10.005 1.00 12.02 C ATOM 486 C LEU A 32 -4.471 -1.745 9.183 1.00 31.22 C ATOM 487 O LEU A 32 -4.060 -2.907 9.259 1.00 22.11 O ATOM 488 CB LEU A 32 -6.998 -1.545 9.242 1.00 72.52 C ATOM 489 CG LEU A 32 -8.279 -1.217 10.033 1.00 3.44 C ATOM 490 CD1 LEU A 32 -9.523 -1.456 9.183 1.00 52.10 C ATOM 491 CD2 LEU A 32 -8.343 -2.037 11.322 1.00 54.31 C ATOM 0 H LEU A 32 -6.398 0.694 10.082 1.00 32.34 H new ATOM 0 HA LEU A 32 -5.695 -1.872 10.923 1.00 12.02 H new ATOM 0 HB2 LEU A 32 -6.992 -0.955 8.325 1.00 72.52 H new ATOM 0 HB3 LEU A 32 -7.028 -2.594 8.946 1.00 72.52 H new ATOM 0 HG LEU A 32 -8.249 -0.160 10.298 1.00 3.44 H new ATOM 0 HD11 LEU A 32 -10.413 -1.217 9.765 1.00 52.10 H new ATOM 0 HD12 LEU A 32 -9.487 -0.821 8.298 1.00 52.10 H new ATOM 0 HD13 LEU A 32 -9.559 -2.502 8.877 1.00 52.10 H new ATOM 0 HD21 LEU A 32 -9.255 -1.790 11.865 1.00 54.31 H new ATOM 0 HD22 LEU A 32 -8.342 -3.099 11.078 1.00 54.31 H new ATOM 0 HD23 LEU A 32 -7.477 -1.807 11.943 1.00 54.31 H new ATOM 503 N GLU A 33 -3.890 -0.822 8.414 1.00 5.53 N ATOM 504 CA GLU A 33 -2.709 -1.121 7.594 1.00 73.04 C ATOM 505 C GLU A 33 -1.543 -1.646 8.446 1.00 63.14 C ATOM 506 O GLU A 33 -0.923 -2.653 8.108 1.00 5.40 O ATOM 507 CB GLU A 33 -2.257 0.134 6.834 1.00 40.23 C ATOM 508 CG GLU A 33 -3.286 0.665 5.843 1.00 41.20 C ATOM 509 CD GLU A 33 -3.570 -0.316 4.720 1.00 70.40 C ATOM 510 OE1 GLU A 33 -4.599 -1.021 4.777 1.00 70.44 O ATOM 511 OE2 GLU A 33 -2.756 -0.397 3.777 1.00 61.15 O1- ATOM 0 H GLU A 33 -4.217 0.141 8.340 1.00 5.53 H new ATOM 0 HA GLU A 33 -2.994 -1.899 6.886 1.00 73.04 H new ATOM 0 HB2 GLU A 33 -2.024 0.918 7.555 1.00 40.23 H new ATOM 0 HB3 GLU A 33 -1.335 -0.091 6.298 1.00 40.23 H new ATOM 0 HG2 GLU A 33 -4.214 0.887 6.371 1.00 41.20 H new ATOM 0 HG3 GLU A 33 -2.928 1.603 5.420 1.00 41.20 H new ATOM 518 N VAL A 34 -1.249 -0.968 9.554 1.00 71.15 N ATOM 519 CA VAL A 34 -0.169 -1.403 10.449 1.00 42.01 C ATOM 520 C VAL A 34 -0.607 -2.589 11.332 1.00 65.23 C ATOM 521 O VAL A 34 0.177 -3.503 11.586 1.00 34.13 O ATOM 522 CB VAL A 34 0.360 -0.236 11.333 1.00 53.33 C ATOM 523 CG1 VAL A 34 -0.753 0.380 12.174 1.00 41.20 C ATOM 524 CG2 VAL A 34 1.516 -0.702 12.221 1.00 43.01 C ATOM 0 H VAL A 34 -1.736 -0.123 9.855 1.00 71.15 H new ATOM 0 HA VAL A 34 0.649 -1.736 9.810 1.00 42.01 H new ATOM 0 HB VAL A 34 0.734 0.538 10.662 1.00 53.33 H new ATOM 0 HG11 VAL A 34 -0.346 1.191 12.778 1.00 41.20 H new ATOM 0 HG12 VAL A 34 -1.531 0.771 11.518 1.00 41.20 H new ATOM 0 HG13 VAL A 34 -1.179 -0.381 12.828 1.00 41.20 H new ATOM 0 HG21 VAL A 34 1.867 0.132 12.828 1.00 43.01 H new ATOM 0 HG22 VAL A 34 1.173 -1.506 12.872 1.00 43.01 H new ATOM 0 HG23 VAL A 34 2.332 -1.064 11.596 1.00 43.01 H new ATOM 534 N ILE A 35 -1.867 -2.583 11.777 1.00 20.43 N ATOM 535 CA ILE A 35 -2.408 -3.681 12.602 1.00 41.21 C ATOM 536 C ILE A 35 -2.253 -5.050 11.903 1.00 41.45 C ATOM 537 O ILE A 35 -1.889 -6.044 12.537 1.00 51.13 O ATOM 538 CB ILE A 35 -3.907 -3.429 12.971 1.00 33.44 C ATOM 539 CG1 ILE A 35 -4.031 -2.518 14.213 1.00 41.42 C ATOM 540 CG2 ILE A 35 -4.659 -4.743 13.205 1.00 0.41 C ATOM 541 CD1 ILE A 35 -3.303 -1.197 14.105 1.00 43.15 C ATOM 0 H ILE A 35 -2.534 -1.836 11.584 1.00 20.43 H new ATOM 0 HA ILE A 35 -1.825 -3.703 13.522 1.00 41.21 H new ATOM 0 HB ILE A 35 -4.364 -2.922 12.121 1.00 33.44 H new ATOM 0 HG12 ILE A 35 -5.087 -2.321 14.398 1.00 41.42 H new ATOM 0 HG13 ILE A 35 -3.651 -3.057 15.081 1.00 41.42 H new ATOM 0 HG21 ILE A 35 -5.697 -4.528 13.459 1.00 0.41 H new ATOM 0 HG22 ILE A 35 -4.625 -5.348 12.299 1.00 0.41 H new ATOM 0 HG23 ILE A 35 -4.191 -5.289 14.024 1.00 0.41 H new ATOM 0 HD11 ILE A 35 -3.447 -0.626 15.022 1.00 43.15 H new ATOM 0 HD12 ILE A 35 -2.239 -1.379 13.954 1.00 43.15 H new ATOM 0 HD13 ILE A 35 -3.698 -0.632 13.261 1.00 43.15 H new ATOM 553 N SER A 36 -2.506 -5.086 10.593 1.00 45.24 N ATOM 554 CA SER A 36 -2.379 -6.328 9.806 1.00 24.53 C ATOM 555 C SER A 36 -0.959 -6.912 9.886 1.00 32.33 C ATOM 556 O SER A 36 -0.774 -8.132 9.861 1.00 70.54 O ATOM 557 CB SER A 36 -2.745 -6.078 8.337 1.00 1.12 C ATOM 558 OG SER A 36 -1.861 -5.145 7.731 1.00 5.22 O ATOM 0 H SER A 36 -2.800 -4.274 10.050 1.00 45.24 H new ATOM 0 HA SER A 36 -3.072 -7.051 10.237 1.00 24.53 H new ATOM 0 HB2 SER A 36 -2.714 -7.019 7.788 1.00 1.12 H new ATOM 0 HB3 SER A 36 -3.767 -5.706 8.274 1.00 1.12 H new ATOM 0 HG SER A 36 -1.829 -4.327 8.270 1.00 5.22 H new ATOM 564 N SER A 37 0.043 -6.037 9.969 1.00 40.01 N ATOM 565 CA SER A 37 1.439 -6.470 10.111 1.00 43.43 C ATOM 566 C SER A 37 1.674 -7.142 11.477 1.00 45.34 C ATOM 567 O SER A 37 2.267 -8.219 11.557 1.00 12.03 O ATOM 568 CB SER A 37 2.392 -5.277 9.940 1.00 10.25 C ATOM 569 OG SER A 37 2.230 -4.656 8.669 1.00 3.41 O ATOM 0 H SER A 37 -0.082 -5.025 9.941 1.00 40.01 H new ATOM 0 HA SER A 37 1.644 -7.201 9.329 1.00 43.43 H new ATOM 0 HB2 SER A 37 2.208 -4.547 10.728 1.00 10.25 H new ATOM 0 HB3 SER A 37 3.422 -5.614 10.052 1.00 10.25 H new ATOM 0 HG SER A 37 2.849 -3.900 8.593 1.00 3.41 H new ATOM 575 N LEU A 38 1.187 -6.505 12.549 1.00 14.22 N ATOM 576 CA LEU A 38 1.321 -7.051 13.914 1.00 61.44 C ATOM 577 C LEU A 38 0.626 -8.416 14.056 1.00 43.43 C ATOM 578 O LEU A 38 1.062 -9.266 14.833 1.00 64.45 O ATOM 579 CB LEU A 38 0.751 -6.074 14.962 1.00 4.23 C ATOM 580 CG LEU A 38 1.640 -4.866 15.317 1.00 33.21 C ATOM 581 CD1 LEU A 38 1.872 -3.969 14.108 1.00 21.41 C ATOM 582 CD2 LEU A 38 1.024 -4.074 16.468 1.00 13.04 C ATOM 0 H LEU A 38 0.697 -5.612 12.502 1.00 14.22 H new ATOM 0 HA LEU A 38 2.388 -7.187 14.093 1.00 61.44 H new ATOM 0 HB2 LEU A 38 -0.206 -5.700 14.598 1.00 4.23 H new ATOM 0 HB3 LEU A 38 0.549 -6.632 15.876 1.00 4.23 H new ATOM 0 HG LEU A 38 2.611 -5.246 15.634 1.00 33.21 H new ATOM 0 HD11 LEU A 38 2.503 -3.128 14.395 1.00 21.41 H new ATOM 0 HD12 LEU A 38 2.364 -4.540 13.321 1.00 21.41 H new ATOM 0 HD13 LEU A 38 0.915 -3.597 13.742 1.00 21.41 H new ATOM 0 HD21 LEU A 38 1.663 -3.224 16.708 1.00 13.04 H new ATOM 0 HD22 LEU A 38 0.037 -3.715 16.176 1.00 13.04 H new ATOM 0 HD23 LEU A 38 0.932 -4.717 17.344 1.00 13.04 H new ATOM 594 N GLU A 39 -0.452 -8.615 13.299 1.00 4.45 N ATOM 595 CA GLU A 39 -1.207 -9.875 13.329 1.00 71.10 C ATOM 596 C GLU A 39 -0.328 -11.078 12.955 1.00 24.13 C ATOM 597 O GLU A 39 -0.437 -12.148 13.555 1.00 32.03 O ATOM 598 CB GLU A 39 -2.409 -9.792 12.374 1.00 54.30 C ATOM 599 CG GLU A 39 -3.493 -8.810 12.815 1.00 41.03 C ATOM 600 CD GLU A 39 -4.322 -9.320 13.986 1.00 34.12 C ATOM 601 OE1 GLU A 39 -5.503 -9.672 13.777 1.00 33.33 O ATOM 602 OE2 GLU A 39 -3.803 -9.377 15.118 1.00 12.31 O1- ATOM 0 H GLU A 39 -0.826 -7.919 12.654 1.00 4.45 H new ATOM 0 HA GLU A 39 -1.558 -10.023 14.350 1.00 71.10 H new ATOM 0 HB2 GLU A 39 -2.054 -9.503 11.385 1.00 54.30 H new ATOM 0 HB3 GLU A 39 -2.851 -10.784 12.277 1.00 54.30 H new ATOM 0 HG2 GLU A 39 -3.027 -7.864 13.092 1.00 41.03 H new ATOM 0 HG3 GLU A 39 -4.153 -8.605 11.972 1.00 41.03 H new ATOM 609 N LYS A 40 0.528 -10.906 11.951 1.00 23.15 N ATOM 610 CA LYS A 40 1.418 -11.987 11.508 1.00 23.40 C ATOM 611 C LYS A 40 2.836 -11.859 12.092 1.00 63.32 C ATOM 612 O LYS A 40 3.580 -12.842 12.148 1.00 72.15 O ATOM 613 CB LYS A 40 1.499 -12.013 9.978 1.00 30.51 C ATOM 614 CG LYS A 40 0.154 -12.219 9.293 1.00 74.44 C ATOM 615 CD LYS A 40 0.317 -12.427 7.791 1.00 1.41 C ATOM 616 CE LYS A 40 -1.021 -12.644 7.095 1.00 43.31 C ATOM 617 NZ LYS A 40 -0.842 -12.987 5.661 1.00 11.20 N1+ ATOM 0 H LYS A 40 0.628 -10.036 11.429 1.00 23.15 H new ATOM 0 HA LYS A 40 0.990 -12.919 11.877 1.00 23.40 H new ATOM 0 HB2 LYS A 40 1.933 -11.075 9.631 1.00 30.51 H new ATOM 0 HB3 LYS A 40 2.177 -12.810 9.673 1.00 30.51 H new ATOM 0 HG2 LYS A 40 -0.349 -13.083 9.728 1.00 74.44 H new ATOM 0 HG3 LYS A 40 -0.484 -11.354 9.474 1.00 74.44 H new ATOM 0 HD2 LYS A 40 0.815 -11.560 7.357 1.00 1.41 H new ATOM 0 HD3 LYS A 40 0.962 -13.287 7.612 1.00 1.41 H new ATOM 0 HE2 LYS A 40 -1.567 -13.444 7.596 1.00 43.31 H new ATOM 0 HE3 LYS A 40 -1.627 -11.742 7.181 1.00 43.31 H new ATOM 0 HZ1 LYS A 40 -1.773 -13.128 5.219 1.00 11.20 H new ATOM 0 HZ2 LYS A 40 -0.343 -12.213 5.178 1.00 11.20 H new ATOM 0 HZ3 LYS A 40 -0.285 -13.861 5.580 1.00 11.20 H new ATOM 631 N TYR A 41 3.205 -10.656 12.532 1.00 52.13 N ATOM 632 CA TYR A 41 4.568 -10.393 13.016 1.00 44.00 C ATOM 633 C TYR A 41 4.564 -9.613 14.338 1.00 71.23 C ATOM 634 O TYR A 41 4.269 -8.417 14.362 1.00 71.40 O ATOM 635 CB TYR A 41 5.371 -9.614 11.960 1.00 52.40 C ATOM 636 CG TYR A 41 5.516 -10.353 10.644 1.00 1.42 C ATOM 637 CD1 TYR A 41 6.453 -11.370 10.498 1.00 21.41 C ATOM 638 CD2 TYR A 41 4.708 -10.043 9.554 1.00 15.43 C ATOM 639 CE1 TYR A 41 6.582 -12.055 9.307 1.00 42.15 C ATOM 640 CE2 TYR A 41 4.833 -10.723 8.358 1.00 3.44 C ATOM 641 CZ TYR A 41 5.769 -11.728 8.241 1.00 1.32 C ATOM 642 OH TYR A 41 5.888 -12.418 7.057 1.00 70.22 O ATOM 0 H TYR A 41 2.584 -9.848 12.565 1.00 52.13 H new ATOM 0 HA TYR A 41 5.040 -11.359 13.195 1.00 44.00 H new ATOM 0 HB2 TYR A 41 4.883 -8.656 11.778 1.00 52.40 H new ATOM 0 HB3 TYR A 41 6.363 -9.397 12.357 1.00 52.40 H new ATOM 0 HD1 TYR A 41 7.090 -11.628 11.331 1.00 21.41 H new ATOM 0 HD2 TYR A 41 3.972 -9.258 9.645 1.00 15.43 H new ATOM 0 HE1 TYR A 41 7.315 -12.842 9.210 1.00 42.15 H new ATOM 0 HE2 TYR A 41 4.201 -10.469 7.520 1.00 3.44 H new ATOM 0 HH TYR A 41 5.244 -12.067 6.408 1.00 70.22 H new ATOM 652 N PRO A 42 4.897 -10.278 15.463 1.00 54.13 N ATOM 653 CA PRO A 42 5.001 -9.615 16.763 1.00 61.45 C ATOM 654 C PRO A 42 6.312 -8.818 16.902 1.00 62.13 C ATOM 655 O PRO A 42 7.350 -9.198 16.351 1.00 33.24 O ATOM 656 CB PRO A 42 4.945 -10.773 17.783 1.00 45.14 C ATOM 657 CG PRO A 42 4.787 -12.037 16.982 1.00 71.53 C ATOM 658 CD PRO A 42 5.193 -11.713 15.567 1.00 15.42 C ATOM 0 HA PRO A 42 4.207 -8.883 16.910 1.00 61.45 H new ATOM 0 HB2 PRO A 42 5.854 -10.805 18.384 1.00 45.14 H new ATOM 0 HB3 PRO A 42 4.111 -10.643 18.473 1.00 45.14 H new ATOM 0 HG2 PRO A 42 5.410 -12.833 17.390 1.00 71.53 H new ATOM 0 HG3 PRO A 42 3.756 -12.390 17.017 1.00 71.53 H new ATOM 0 HD2 PRO A 42 6.248 -11.922 15.391 1.00 15.42 H new ATOM 0 HD3 PRO A 42 4.627 -12.296 14.840 1.00 15.42 H new ATOM 666 N ILE A 43 6.265 -7.721 17.646 1.00 31.41 N ATOM 667 CA ILE A 43 7.417 -6.827 17.780 1.00 12.22 C ATOM 668 C ILE A 43 8.416 -7.330 18.837 1.00 53.14 C ATOM 669 O ILE A 43 8.049 -7.594 19.980 1.00 24.20 O ATOM 670 CB ILE A 43 6.949 -5.394 18.127 1.00 3.43 C ATOM 671 CG1 ILE A 43 5.992 -4.881 17.036 1.00 22.15 C ATOM 672 CG2 ILE A 43 8.141 -4.457 18.287 1.00 55.21 C ATOM 673 CD1 ILE A 43 5.456 -3.488 17.290 1.00 23.40 C ATOM 0 H ILE A 43 5.441 -7.425 18.169 1.00 31.41 H new ATOM 0 HA ILE A 43 7.933 -6.814 16.820 1.00 12.22 H new ATOM 0 HB ILE A 43 6.418 -5.419 19.078 1.00 3.43 H new ATOM 0 HG12 ILE A 43 6.512 -4.890 16.078 1.00 22.15 H new ATOM 0 HG13 ILE A 43 5.153 -5.571 16.950 1.00 22.15 H new ATOM 0 HG21 ILE A 43 7.786 -3.456 18.531 1.00 55.21 H new ATOM 0 HG22 ILE A 43 8.784 -4.820 19.089 1.00 55.21 H new ATOM 0 HG23 ILE A 43 8.706 -4.425 17.356 1.00 55.21 H new ATOM 0 HD11 ILE A 43 4.790 -3.200 16.476 1.00 23.40 H new ATOM 0 HD12 ILE A 43 4.906 -3.476 18.231 1.00 23.40 H new ATOM 0 HD13 ILE A 43 6.286 -2.783 17.346 1.00 23.40 H new ATOM 685 N THR A 44 9.683 -7.459 18.440 1.00 34.54 N ATOM 686 CA THR A 44 10.734 -7.989 19.322 1.00 41.33 C ATOM 687 C THR A 44 11.141 -6.972 20.408 1.00 34.33 C ATOM 688 O THR A 44 10.985 -5.762 20.232 1.00 23.21 O ATOM 689 CB THR A 44 11.991 -8.375 18.493 1.00 44.13 C ATOM 690 OG1 THR A 44 11.610 -9.207 17.386 1.00 21.12 O ATOM 691 CG2 THR A 44 13.029 -9.110 19.340 1.00 31.13 C ATOM 0 H THR A 44 10.011 -7.203 17.509 1.00 34.54 H new ATOM 0 HA THR A 44 10.324 -8.872 19.813 1.00 41.33 H new ATOM 0 HB THR A 44 12.441 -7.450 18.132 1.00 44.13 H new ATOM 0 HG1 THR A 44 12.406 -9.445 16.867 1.00 21.12 H new ATOM 0 HG21 THR A 44 13.891 -9.361 18.722 1.00 31.13 H new ATOM 0 HG22 THR A 44 13.347 -8.470 20.163 1.00 31.13 H new ATOM 0 HG23 THR A 44 12.591 -10.024 19.740 1.00 31.13 H new ATOM 699 N LYS A 45 11.717 -7.474 21.503 1.00 31.33 N ATOM 700 CA LYS A 45 12.133 -6.636 22.643 1.00 55.35 C ATOM 701 C LYS A 45 13.080 -5.503 22.220 1.00 73.40 C ATOM 702 O LYS A 45 12.947 -4.367 22.683 1.00 74.35 O ATOM 703 CB LYS A 45 12.810 -7.512 23.710 1.00 15.33 C ATOM 704 CG LYS A 45 13.428 -6.734 24.872 1.00 61.33 C ATOM 705 CD LYS A 45 14.034 -7.668 25.918 1.00 64.14 C ATOM 706 CE LYS A 45 14.674 -6.898 27.070 1.00 51.43 C ATOM 707 NZ LYS A 45 15.877 -6.134 26.643 1.00 55.03 N1+ ATOM 0 H LYS A 45 11.910 -8.468 21.630 1.00 31.33 H new ATOM 0 HA LYS A 45 11.236 -6.172 23.053 1.00 55.35 H new ATOM 0 HB2 LYS A 45 12.074 -8.211 24.108 1.00 15.33 H new ATOM 0 HB3 LYS A 45 13.589 -8.107 23.233 1.00 15.33 H new ATOM 0 HG2 LYS A 45 14.199 -6.064 24.492 1.00 61.33 H new ATOM 0 HG3 LYS A 45 12.666 -6.110 25.339 1.00 61.33 H new ATOM 0 HD2 LYS A 45 13.258 -8.327 26.309 1.00 64.14 H new ATOM 0 HD3 LYS A 45 14.783 -8.303 25.446 1.00 64.14 H new ATOM 0 HE2 LYS A 45 13.942 -6.211 27.495 1.00 51.43 H new ATOM 0 HE3 LYS A 45 14.952 -7.596 27.860 1.00 51.43 H new ATOM 0 HZ1 LYS A 45 16.075 -5.383 27.335 1.00 55.03 H new ATOM 0 HZ2 LYS A 45 16.693 -6.776 26.585 1.00 55.03 H new ATOM 0 HZ3 LYS A 45 15.705 -5.708 25.710 1.00 55.03 H new ATOM 721 N GLU A 46 14.018 -5.813 21.322 1.00 34.13 N ATOM 722 CA GLU A 46 14.986 -4.819 20.847 1.00 60.42 C ATOM 723 C GLU A 46 14.280 -3.599 20.237 1.00 75.31 C ATOM 724 O GLU A 46 14.719 -2.475 20.417 1.00 41.24 O ATOM 725 CB GLU A 46 15.935 -5.446 19.811 1.00 72.13 C ATOM 726 CG GLU A 46 17.006 -4.490 19.278 1.00 1.44 C ATOM 727 CD GLU A 46 17.978 -4.014 20.352 1.00 62.23 C ATOM 728 OE1 GLU A 46 17.958 -2.815 20.710 1.00 2.13 O ATOM 729 OE2 GLU A 46 18.772 -4.840 20.845 1.00 11.05 O1- ATOM 0 H GLU A 46 14.129 -6.740 20.910 1.00 34.13 H new ATOM 0 HA GLU A 46 15.565 -4.484 21.707 1.00 60.42 H new ATOM 0 HB2 GLU A 46 16.426 -6.309 20.261 1.00 72.13 H new ATOM 0 HB3 GLU A 46 15.345 -5.816 18.972 1.00 72.13 H new ATOM 0 HG2 GLU A 46 17.566 -4.988 18.486 1.00 1.44 H new ATOM 0 HG3 GLU A 46 16.519 -3.624 18.829 1.00 1.44 H new ATOM 736 N ALA A 47 13.167 -3.825 19.539 1.00 74.52 N ATOM 737 CA ALA A 47 12.421 -2.729 18.905 1.00 70.03 C ATOM 738 C ALA A 47 11.784 -1.787 19.941 1.00 5.43 C ATOM 739 O ALA A 47 11.765 -0.566 19.760 1.00 11.44 O ATOM 740 CB ALA A 47 11.360 -3.288 17.969 1.00 23.31 C ATOM 0 H ALA A 47 12.761 -4.750 19.397 1.00 74.52 H new ATOM 0 HA ALA A 47 13.133 -2.139 18.328 1.00 70.03 H new ATOM 0 HB1 ALA A 47 10.814 -2.466 17.506 1.00 23.31 H new ATOM 0 HB2 ALA A 47 11.838 -3.889 17.195 1.00 23.31 H new ATOM 0 HB3 ALA A 47 10.667 -3.910 18.535 1.00 23.31 H new ATOM 746 N LEU A 48 11.261 -2.357 21.024 1.00 44.55 N ATOM 747 CA LEU A 48 10.685 -1.559 22.115 1.00 21.22 C ATOM 748 C LEU A 48 11.741 -0.619 22.716 1.00 60.41 C ATOM 749 O LEU A 48 11.473 0.551 22.983 1.00 15.12 O ATOM 750 CB LEU A 48 10.107 -2.466 23.218 1.00 4.50 C ATOM 751 CG LEU A 48 8.752 -3.137 22.906 1.00 71.21 C ATOM 752 CD1 LEU A 48 8.856 -4.083 21.715 1.00 52.03 C ATOM 753 CD2 LEU A 48 8.220 -3.876 24.134 1.00 2.44 C ATOM 0 H LEU A 48 11.222 -3.365 21.174 1.00 44.55 H new ATOM 0 HA LEU A 48 9.876 -0.961 21.696 1.00 21.22 H new ATOM 0 HB2 LEU A 48 10.835 -3.248 23.435 1.00 4.50 H new ATOM 0 HB3 LEU A 48 9.995 -1.873 24.126 1.00 4.50 H new ATOM 0 HG LEU A 48 8.047 -2.348 22.642 1.00 71.21 H new ATOM 0 HD11 LEU A 48 7.883 -4.537 21.525 1.00 52.03 H new ATOM 0 HD12 LEU A 48 9.175 -3.525 20.834 1.00 52.03 H new ATOM 0 HD13 LEU A 48 9.584 -4.864 21.933 1.00 52.03 H new ATOM 0 HD21 LEU A 48 7.264 -4.342 23.893 1.00 2.44 H new ATOM 0 HD22 LEU A 48 8.933 -4.644 24.433 1.00 2.44 H new ATOM 0 HD23 LEU A 48 8.083 -3.170 24.953 1.00 2.44 H new ATOM 765 N GLU A 49 12.935 -1.154 22.936 1.00 72.22 N ATOM 766 CA GLU A 49 14.058 -0.374 23.466 1.00 25.32 C ATOM 767 C GLU A 49 14.636 0.601 22.419 1.00 51.54 C ATOM 768 O GLU A 49 14.851 1.781 22.704 1.00 71.21 O ATOM 769 CB GLU A 49 15.154 -1.331 23.955 1.00 35.42 C ATOM 770 CG GLU A 49 14.657 -2.350 24.975 1.00 53.21 C ATOM 771 CD GLU A 49 15.718 -3.371 25.351 1.00 14.12 C ATOM 772 OE1 GLU A 49 16.347 -3.225 26.420 1.00 73.44 O ATOM 773 OE2 GLU A 49 15.930 -4.329 24.580 1.00 62.11 O1- ATOM 0 H GLU A 49 13.157 -2.133 22.755 1.00 72.22 H new ATOM 0 HA GLU A 49 13.687 0.228 24.295 1.00 25.32 H new ATOM 0 HB2 GLU A 49 15.573 -1.860 23.099 1.00 35.42 H new ATOM 0 HB3 GLU A 49 15.963 -0.750 24.398 1.00 35.42 H new ATOM 0 HG2 GLU A 49 14.327 -1.828 25.873 1.00 53.21 H new ATOM 0 HG3 GLU A 49 13.788 -2.868 24.570 1.00 53.21 H new ATOM 780 N GLU A 50 14.856 0.094 21.209 1.00 53.54 N ATOM 781 CA GLU A 50 15.574 0.827 20.151 1.00 60.10 C ATOM 782 C GLU A 50 14.788 2.043 19.630 1.00 71.12 C ATOM 783 O GLU A 50 15.274 3.176 19.649 1.00 21.43 O ATOM 784 CB GLU A 50 15.835 -0.132 18.976 1.00 44.15 C ATOM 785 CG GLU A 50 16.717 0.435 17.865 1.00 44.32 C ATOM 786 CD GLU A 50 18.202 0.287 18.158 1.00 3.11 C ATOM 787 OE1 GLU A 50 18.746 1.092 18.942 1.00 53.12 O ATOM 788 OE2 GLU A 50 18.830 -0.640 17.605 1.00 50.53 O1- ATOM 0 H GLU A 50 14.545 -0.835 20.927 1.00 53.54 H new ATOM 0 HA GLU A 50 16.504 1.198 20.582 1.00 60.10 H new ATOM 0 HB2 GLU A 50 16.301 -1.038 19.363 1.00 44.15 H new ATOM 0 HB3 GLU A 50 14.877 -0.425 18.546 1.00 44.15 H new ATOM 0 HG2 GLU A 50 16.484 -0.071 16.928 1.00 44.32 H new ATOM 0 HG3 GLU A 50 16.483 1.490 17.724 1.00 44.32 H new ATOM 795 N THR A 51 13.569 1.792 19.163 1.00 52.54 N ATOM 796 CA THR A 51 12.732 2.826 18.537 1.00 13.40 C ATOM 797 C THR A 51 11.467 3.136 19.360 1.00 41.10 C ATOM 798 O THR A 51 10.550 3.816 18.886 1.00 15.41 O ATOM 799 CB THR A 51 12.362 2.428 17.089 1.00 70.12 C ATOM 800 OG1 THR A 51 11.928 1.063 17.043 1.00 52.04 O ATOM 801 CG2 THR A 51 13.548 2.609 16.149 1.00 45.24 C ATOM 0 H THR A 51 13.129 0.873 19.204 1.00 52.54 H new ATOM 0 HA THR A 51 13.324 3.741 18.508 1.00 13.40 H new ATOM 0 HB THR A 51 11.552 3.081 16.763 1.00 70.12 H new ATOM 0 HG1 THR A 51 11.696 0.825 16.121 1.00 52.04 H new ATOM 0 HG21 THR A 51 13.258 2.322 15.138 1.00 45.24 H new ATOM 0 HG22 THR A 51 13.860 3.653 16.154 1.00 45.24 H new ATOM 0 HG23 THR A 51 14.375 1.982 16.482 1.00 45.24 H new ATOM 809 N ARG A 52 11.427 2.611 20.587 1.00 73.23 N ATOM 810 CA ARG A 52 10.356 2.901 21.555 1.00 4.22 C ATOM 811 C ARG A 52 8.990 2.310 21.140 1.00 52.31 C ATOM 812 O ARG A 52 7.942 2.933 21.320 1.00 71.24 O ATOM 813 CB ARG A 52 10.245 4.419 21.808 1.00 54.02 C ATOM 814 CG ARG A 52 9.343 4.774 22.990 1.00 60.53 C ATOM 815 CD ARG A 52 9.265 6.276 23.234 1.00 60.24 C ATOM 816 NE ARG A 52 8.302 6.602 24.287 1.00 51.41 N ATOM 817 CZ ARG A 52 8.382 7.644 25.069 1.00 61.32 C ATOM 818 NH1 ARG A 52 9.375 8.469 24.977 1.00 42.11 N1+ ATOM 819 NH2 ARG A 52 7.464 7.852 25.953 1.00 40.44 N ATOM 0 H ARG A 52 12.137 1.970 20.942 1.00 73.23 H new ATOM 0 HA ARG A 52 10.635 2.407 22.486 1.00 4.22 H new ATOM 0 HB2 ARG A 52 11.241 4.824 21.987 1.00 54.02 H new ATOM 0 HB3 ARG A 52 9.861 4.902 20.910 1.00 54.02 H new ATOM 0 HG2 ARG A 52 8.341 4.386 22.807 1.00 60.53 H new ATOM 0 HG3 ARG A 52 9.716 4.282 23.888 1.00 60.53 H new ATOM 0 HD2 ARG A 52 10.250 6.652 23.512 1.00 60.24 H new ATOM 0 HD3 ARG A 52 8.980 6.781 22.311 1.00 60.24 H new ATOM 0 HE ARG A 52 7.512 5.970 24.419 1.00 51.41 H new ATOM 0 HH11 ARG A 52 10.109 8.309 24.287 1.00 42.11 H new ATOM 0 HH12 ARG A 52 9.424 9.279 25.595 1.00 42.11 H new ATOM 0 HH21 ARG A 52 6.681 7.204 26.038 1.00 40.44 H new ATOM 0 HH22 ARG A 52 7.522 8.665 26.567 1.00 40.44 H new ATOM 833 N LEU A 53 8.990 1.082 20.617 1.00 54.50 N ATOM 834 CA LEU A 53 7.724 0.381 20.325 1.00 71.21 C ATOM 835 C LEU A 53 6.933 0.060 21.611 1.00 24.24 C ATOM 836 O LEU A 53 5.793 -0.395 21.546 1.00 2.04 O ATOM 837 CB LEU A 53 7.962 -0.904 19.513 1.00 44.42 C ATOM 838 CG LEU A 53 8.088 -0.713 17.988 1.00 32.11 C ATOM 839 CD1 LEU A 53 6.825 -0.078 17.412 1.00 22.12 C ATOM 840 CD2 LEU A 53 9.306 0.128 17.639 1.00 12.50 C ATOM 0 H LEU A 53 9.833 0.555 20.388 1.00 54.50 H new ATOM 0 HA LEU A 53 7.125 1.063 19.722 1.00 71.21 H new ATOM 0 HB2 LEU A 53 8.872 -1.380 19.878 1.00 44.42 H new ATOM 0 HB3 LEU A 53 7.141 -1.594 19.708 1.00 44.42 H new ATOM 0 HG LEU A 53 8.214 -1.700 17.542 1.00 32.11 H new ATOM 0 HD11 LEU A 53 6.939 0.046 16.335 1.00 22.12 H new ATOM 0 HD12 LEU A 53 5.969 -0.722 17.615 1.00 22.12 H new ATOM 0 HD13 LEU A 53 6.664 0.896 17.875 1.00 22.12 H new ATOM 0 HD21 LEU A 53 9.369 0.246 16.557 1.00 12.50 H new ATOM 0 HD22 LEU A 53 9.217 1.109 18.106 1.00 12.50 H new ATOM 0 HD23 LEU A 53 10.206 -0.367 18.003 1.00 12.50 H new ATOM 852 N GLY A 54 7.538 0.301 22.775 1.00 3.40 N ATOM 853 CA GLY A 54 6.806 0.202 24.036 1.00 53.11 C ATOM 854 C GLY A 54 5.621 1.166 24.081 1.00 53.44 C ATOM 855 O GLY A 54 4.597 0.886 24.708 1.00 50.02 O ATOM 0 H GLY A 54 8.519 0.563 22.870 1.00 3.40 H new ATOM 0 HA2 GLY A 54 6.449 -0.819 24.170 1.00 53.11 H new ATOM 0 HA3 GLY A 54 7.480 0.416 24.865 1.00 53.11 H new ATOM 859 N LYS A 55 5.774 2.311 23.409 1.00 74.15 N ATOM 860 CA LYS A 55 4.680 3.275 23.229 1.00 72.53 C ATOM 861 C LYS A 55 3.483 2.602 22.537 1.00 33.22 C ATOM 862 O LYS A 55 2.325 2.834 22.893 1.00 22.24 O ATOM 863 CB LYS A 55 5.177 4.454 22.375 1.00 40.32 C ATOM 864 CG LYS A 55 4.128 5.528 22.083 1.00 72.02 C ATOM 865 CD LYS A 55 3.781 6.352 23.319 1.00 31.10 C ATOM 866 CE LYS A 55 2.807 7.478 22.990 1.00 31.44 C ATOM 867 NZ LYS A 55 2.547 8.349 24.168 1.00 31.31 N1+ ATOM 0 H LYS A 55 6.653 2.596 22.976 1.00 74.15 H new ATOM 0 HA LYS A 55 4.360 3.637 24.206 1.00 72.53 H new ATOM 0 HB2 LYS A 55 6.021 4.921 22.883 1.00 40.32 H new ATOM 0 HB3 LYS A 55 5.550 4.065 21.428 1.00 40.32 H new ATOM 0 HG2 LYS A 55 4.498 6.190 21.300 1.00 72.02 H new ATOM 0 HG3 LYS A 55 3.224 5.055 21.699 1.00 72.02 H new ATOM 0 HD2 LYS A 55 3.344 5.703 24.078 1.00 31.10 H new ATOM 0 HD3 LYS A 55 4.693 6.772 23.744 1.00 31.10 H new ATOM 0 HE2 LYS A 55 3.210 8.080 22.175 1.00 31.44 H new ATOM 0 HE3 LYS A 55 1.867 7.053 22.638 1.00 31.44 H new ATOM 0 HZ1 LYS A 55 1.880 9.102 23.903 1.00 31.31 H new ATOM 0 HZ2 LYS A 55 2.139 7.780 24.937 1.00 31.31 H new ATOM 0 HZ3 LYS A 55 3.440 8.775 24.489 1.00 31.31 H new ATOM 881 N LEU A 56 3.788 1.746 21.560 1.00 12.21 N ATOM 882 CA LEU A 56 2.769 1.016 20.799 1.00 50.13 C ATOM 883 C LEU A 56 1.913 0.129 21.721 1.00 54.30 C ATOM 884 O LEU A 56 0.734 -0.074 21.466 1.00 1.01 O ATOM 885 CB LEU A 56 3.434 0.186 19.677 1.00 53.43 C ATOM 886 CG LEU A 56 2.484 -0.422 18.618 1.00 13.55 C ATOM 887 CD1 LEU A 56 3.233 -0.696 17.315 1.00 33.00 C ATOM 888 CD2 LEU A 56 1.839 -1.712 19.126 1.00 42.03 C ATOM 0 H LEU A 56 4.745 1.539 21.274 1.00 12.21 H new ATOM 0 HA LEU A 56 2.099 1.741 20.337 1.00 50.13 H new ATOM 0 HB2 LEU A 56 4.156 0.821 19.164 1.00 53.43 H new ATOM 0 HB3 LEU A 56 3.995 -0.626 20.139 1.00 53.43 H new ATOM 0 HG LEU A 56 1.695 0.306 18.429 1.00 13.55 H new ATOM 0 HD11 LEU A 56 2.547 -1.123 16.584 1.00 33.00 H new ATOM 0 HD12 LEU A 56 3.642 0.237 16.927 1.00 33.00 H new ATOM 0 HD13 LEU A 56 4.046 -1.398 17.503 1.00 33.00 H new ATOM 0 HD21 LEU A 56 1.177 -2.114 18.359 1.00 42.03 H new ATOM 0 HD22 LEU A 56 2.616 -2.442 19.354 1.00 42.03 H new ATOM 0 HD23 LEU A 56 1.263 -1.501 20.027 1.00 42.03 H new ATOM 900 N ILE A 57 2.506 -0.389 22.797 1.00 53.52 N ATOM 901 CA ILE A 57 1.783 -1.280 23.720 1.00 52.34 C ATOM 902 C ILE A 57 0.523 -0.599 24.291 1.00 34.54 C ATOM 903 O ILE A 57 -0.550 -1.205 24.354 1.00 20.45 O ATOM 904 CB ILE A 57 2.697 -1.726 24.892 1.00 43.22 C ATOM 905 CG1 ILE A 57 3.906 -2.512 24.358 1.00 72.33 C ATOM 906 CG2 ILE A 57 1.918 -2.558 25.912 1.00 55.45 C ATOM 907 CD1 ILE A 57 4.836 -3.021 25.441 1.00 30.55 C ATOM 0 H ILE A 57 3.477 -0.212 23.054 1.00 53.52 H new ATOM 0 HA ILE A 57 1.480 -2.155 23.145 1.00 52.34 H new ATOM 0 HB ILE A 57 3.060 -0.832 25.399 1.00 43.22 H new ATOM 0 HG12 ILE A 57 3.547 -3.359 23.774 1.00 72.33 H new ATOM 0 HG13 ILE A 57 4.471 -1.873 23.679 1.00 72.33 H new ATOM 0 HG21 ILE A 57 2.583 -2.857 26.722 1.00 55.45 H new ATOM 0 HG22 ILE A 57 1.098 -1.964 26.316 1.00 55.45 H new ATOM 0 HG23 ILE A 57 1.516 -3.447 25.426 1.00 55.45 H new ATOM 0 HD11 ILE A 57 5.663 -3.565 24.984 1.00 30.55 H new ATOM 0 HD12 ILE A 57 5.227 -2.178 26.011 1.00 30.55 H new ATOM 0 HD13 ILE A 57 4.288 -3.687 26.108 1.00 30.55 H new ATOM 919 N ASN A 58 0.664 0.655 24.717 1.00 51.31 N ATOM 920 CA ASN A 58 -0.490 1.463 25.132 1.00 12.13 C ATOM 921 C ASN A 58 -1.330 1.888 23.914 1.00 71.23 C ATOM 922 O ASN A 58 -2.560 1.780 23.912 1.00 2.41 O ATOM 923 CB ASN A 58 -0.022 2.707 25.900 1.00 54.55 C ATOM 924 CG ASN A 58 -1.178 3.541 26.435 1.00 74.22 C ATOM 925 OD1 ASN A 58 -2.227 3.017 26.800 1.00 21.14 O ATOM 926 ND2 ASN A 58 -1.002 4.849 26.477 1.00 21.00 N ATOM 0 H ASN A 58 1.561 1.136 24.785 1.00 51.31 H new ATOM 0 HA ASN A 58 -1.112 0.851 25.786 1.00 12.13 H new ATOM 0 HB2 ASN A 58 0.612 2.398 26.731 1.00 54.55 H new ATOM 0 HB3 ASN A 58 0.592 3.324 25.243 1.00 54.55 H new ATOM 0 HD21 ASN A 58 -1.749 5.453 26.820 1.00 21.00 H new ATOM 0 HD22 ASN A 58 -0.119 5.255 26.167 1.00 21.00 H new ATOM 933 N ASP A 59 -0.637 2.355 22.875 1.00 64.40 N ATOM 934 CA ASP A 59 -1.276 2.943 21.694 1.00 63.12 C ATOM 935 C ASP A 59 -2.234 1.961 20.990 1.00 33.34 C ATOM 936 O ASP A 59 -3.353 2.328 20.638 1.00 13.35 O ATOM 937 CB ASP A 59 -0.190 3.412 20.719 1.00 44.33 C ATOM 938 CG ASP A 59 -0.761 4.202 19.560 1.00 20.42 C ATOM 939 OD1 ASP A 59 -1.000 3.609 18.490 1.00 42.15 O ATOM 940 OD2 ASP A 59 -0.975 5.422 19.727 1.00 12.42 O1- ATOM 0 H ASP A 59 0.382 2.337 22.827 1.00 64.40 H new ATOM 0 HA ASP A 59 -1.880 3.788 22.025 1.00 63.12 H new ATOM 0 HB2 ASP A 59 0.534 4.027 21.253 1.00 44.33 H new ATOM 0 HB3 ASP A 59 0.349 2.546 20.335 1.00 44.33 H new ATOM 945 N VAL A 60 -1.809 0.709 20.829 1.00 51.24 N ATOM 946 CA VAL A 60 -2.617 -0.305 20.136 1.00 64.24 C ATOM 947 C VAL A 60 -3.910 -0.619 20.904 1.00 31.51 C ATOM 948 O VAL A 60 -4.966 -0.836 20.305 1.00 65.53 O ATOM 949 CB VAL A 60 -1.818 -1.617 19.909 1.00 1.02 C ATOM 950 CG1 VAL A 60 -1.456 -2.285 21.237 1.00 53.52 C ATOM 951 CG2 VAL A 60 -2.595 -2.578 19.008 1.00 4.30 C ATOM 0 H VAL A 60 -0.909 0.368 21.168 1.00 51.24 H new ATOM 0 HA VAL A 60 -2.879 0.118 19.166 1.00 64.24 H new ATOM 0 HB VAL A 60 -0.887 -1.356 19.406 1.00 1.02 H new ATOM 0 HG11 VAL A 60 -0.897 -3.201 21.043 1.00 53.52 H new ATOM 0 HG12 VAL A 60 -0.845 -1.606 21.831 1.00 53.52 H new ATOM 0 HG13 VAL A 60 -2.368 -2.525 21.784 1.00 53.52 H new ATOM 0 HG21 VAL A 60 -2.016 -3.490 18.863 1.00 4.30 H new ATOM 0 HG22 VAL A 60 -3.548 -2.824 19.475 1.00 4.30 H new ATOM 0 HG23 VAL A 60 -2.776 -2.106 18.042 1.00 4.30 H new ATOM 961 N ARG A 61 -3.829 -0.632 22.235 1.00 53.22 N ATOM 962 CA ARG A 61 -5.009 -0.854 23.072 1.00 0.41 C ATOM 963 C ARG A 61 -5.965 0.346 22.984 1.00 71.15 C ATOM 964 O ARG A 61 -7.183 0.204 23.103 1.00 55.52 O ATOM 965 CB ARG A 61 -4.605 -1.085 24.536 1.00 33.32 C ATOM 966 CG ARG A 61 -5.800 -1.328 25.450 1.00 55.35 C ATOM 967 CD ARG A 61 -5.417 -1.351 26.925 1.00 70.22 C ATOM 968 NE ARG A 61 -6.601 -1.433 27.775 1.00 30.41 N ATOM 969 CZ ARG A 61 -7.003 -0.479 28.568 1.00 75.01 C ATOM 970 NH1 ARG A 61 -6.287 0.586 28.744 1.00 63.10 N1+ ATOM 971 NH2 ARG A 61 -8.116 -0.604 29.211 1.00 44.41 N ATOM 0 H ARG A 61 -2.963 -0.492 22.755 1.00 53.22 H new ATOM 0 HA ARG A 61 -5.518 -1.745 22.703 1.00 0.41 H new ATOM 0 HB2 ARG A 61 -3.932 -1.941 24.591 1.00 33.32 H new ATOM 0 HB3 ARG A 61 -4.049 -0.219 24.895 1.00 33.32 H new ATOM 0 HG2 ARG A 61 -6.544 -0.549 25.284 1.00 55.35 H new ATOM 0 HG3 ARG A 61 -6.268 -2.276 25.185 1.00 55.35 H new ATOM 0 HD2 ARG A 61 -4.765 -2.202 27.121 1.00 70.22 H new ATOM 0 HD3 ARG A 61 -4.851 -0.453 27.171 1.00 70.22 H new ATOM 0 HE ARG A 61 -7.150 -2.292 27.747 1.00 30.41 H new ATOM 0 HH11 ARG A 61 -5.395 0.687 28.259 1.00 63.10 H new ATOM 0 HH12 ARG A 61 -6.615 1.324 29.368 1.00 63.10 H new ATOM 0 HH21 ARG A 61 -8.678 -1.447 29.098 1.00 44.41 H new ATOM 0 HH22 ARG A 61 -8.433 0.141 29.832 1.00 44.41 H new ATOM 985 N LYS A 62 -5.399 1.529 22.775 1.00 32.23 N ATOM 986 CA LYS A 62 -6.185 2.762 22.696 1.00 4.04 C ATOM 987 C LYS A 62 -6.756 2.973 21.277 1.00 64.23 C ATOM 988 O LYS A 62 -7.860 3.496 21.111 1.00 1.41 O ATOM 989 CB LYS A 62 -5.304 3.956 23.097 1.00 34.33 C ATOM 990 CG LYS A 62 -6.078 5.236 23.402 1.00 20.34 C ATOM 991 CD LYS A 62 -6.978 5.064 24.621 1.00 70.34 C ATOM 992 CE LYS A 62 -7.667 6.364 25.016 1.00 21.24 C ATOM 993 NZ LYS A 62 -8.541 6.178 26.205 1.00 52.52 N1+ ATOM 0 H LYS A 62 -4.395 1.664 22.656 1.00 32.23 H new ATOM 0 HA LYS A 62 -7.027 2.681 23.383 1.00 4.04 H new ATOM 0 HB2 LYS A 62 -4.719 3.682 23.975 1.00 34.33 H new ATOM 0 HB3 LYS A 62 -4.597 4.157 22.292 1.00 34.33 H new ATOM 0 HG2 LYS A 62 -5.378 6.053 23.577 1.00 20.34 H new ATOM 0 HG3 LYS A 62 -6.682 5.513 22.538 1.00 20.34 H new ATOM 0 HD2 LYS A 62 -7.731 4.305 24.410 1.00 70.34 H new ATOM 0 HD3 LYS A 62 -6.385 4.700 25.460 1.00 70.34 H new ATOM 0 HE2 LYS A 62 -6.916 7.124 25.230 1.00 21.24 H new ATOM 0 HE3 LYS A 62 -8.262 6.730 24.179 1.00 21.24 H new ATOM 0 HZ1 LYS A 62 -8.995 7.082 26.447 1.00 52.52 H new ATOM 0 HZ2 LYS A 62 -9.272 5.470 25.991 1.00 52.52 H new ATOM 0 HZ3 LYS A 62 -7.968 5.852 27.009 1.00 52.52 H new ATOM 1007 N LYS A 63 -5.989 2.558 20.262 1.00 45.15 N ATOM 1008 CA LYS A 63 -6.390 2.681 18.848 1.00 4.35 C ATOM 1009 C LYS A 63 -7.018 1.380 18.322 1.00 1.24 C ATOM 1010 O LYS A 63 -7.196 1.215 17.116 1.00 11.35 O ATOM 1011 CB LYS A 63 -5.174 3.040 17.958 1.00 45.15 C ATOM 1012 CG LYS A 63 -4.979 4.536 17.674 1.00 2.31 C ATOM 1013 CD LYS A 63 -4.051 5.231 18.672 1.00 15.32 C ATOM 1014 CE LYS A 63 -4.715 5.494 20.013 1.00 23.14 C ATOM 1015 NZ LYS A 63 -5.872 6.417 19.886 1.00 54.54 N1+ ATOM 0 H LYS A 63 -5.074 2.128 20.393 1.00 45.15 H new ATOM 0 HA LYS A 63 -7.131 3.479 18.800 1.00 4.35 H new ATOM 0 HB2 LYS A 63 -4.272 2.658 18.436 1.00 45.15 H new ATOM 0 HB3 LYS A 63 -5.276 2.518 17.007 1.00 45.15 H new ATOM 0 HG2 LYS A 63 -4.575 4.657 16.669 1.00 2.31 H new ATOM 0 HG3 LYS A 63 -5.950 5.030 17.689 1.00 2.31 H new ATOM 0 HD2 LYS A 63 -3.165 4.615 18.826 1.00 15.32 H new ATOM 0 HD3 LYS A 63 -3.713 6.177 18.248 1.00 15.32 H new ATOM 0 HE2 LYS A 63 -5.049 4.550 20.444 1.00 23.14 H new ATOM 0 HE3 LYS A 63 -3.985 5.919 20.702 1.00 23.14 H new ATOM 0 HZ1 LYS A 63 -6.256 6.625 20.830 1.00 54.54 H new ATOM 0 HZ2 LYS A 63 -5.562 7.302 19.436 1.00 54.54 H new ATOM 0 HZ3 LYS A 63 -6.609 5.971 19.303 1.00 54.54 H new ATOM 1029 N THR A 64 -7.372 0.472 19.225 1.00 71.12 N ATOM 1030 CA THR A 64 -7.870 -0.854 18.826 1.00 64.21 C ATOM 1031 C THR A 64 -9.188 -0.784 18.044 1.00 74.35 C ATOM 1032 O THR A 64 -10.034 0.084 18.286 1.00 1.02 O ATOM 1033 CB THR A 64 -8.085 -1.784 20.044 1.00 73.43 C ATOM 1034 OG1 THR A 64 -8.580 -3.060 19.604 1.00 22.52 O ATOM 1035 CG2 THR A 64 -9.066 -1.172 21.042 1.00 4.35 C ATOM 0 H THR A 64 -7.327 0.621 20.233 1.00 71.12 H new ATOM 0 HA THR A 64 -7.093 -1.261 18.180 1.00 64.21 H new ATOM 0 HB THR A 64 -7.124 -1.913 20.542 1.00 73.43 H new ATOM 0 HG1 THR A 64 -9.448 -3.236 20.023 1.00 22.52 H new ATOM 0 HG21 THR A 64 -9.196 -1.849 21.886 1.00 4.35 H new ATOM 0 HG22 THR A 64 -8.675 -0.219 21.398 1.00 4.35 H new ATOM 0 HG23 THR A 64 -10.028 -1.011 20.555 1.00 4.35 H new ATOM 1043 N LYS A 65 -9.342 -1.716 17.101 1.00 24.12 N ATOM 1044 CA LYS A 65 -10.582 -1.872 16.334 1.00 0.41 C ATOM 1045 C LYS A 65 -11.794 -2.013 17.279 1.00 50.41 C ATOM 1046 O LYS A 65 -12.688 -1.166 17.294 1.00 64.25 O ATOM 1047 CB LYS A 65 -10.455 -3.094 15.399 1.00 22.14 C ATOM 1048 CG LYS A 65 -9.904 -4.342 16.092 1.00 23.02 C ATOM 1049 CD LYS A 65 -9.808 -5.542 15.156 1.00 72.34 C ATOM 1050 CE LYS A 65 -8.780 -5.346 14.048 1.00 70.40 C ATOM 1051 NZ LYS A 65 -8.608 -6.585 13.245 1.00 12.34 N1+ ATOM 0 H LYS A 65 -8.613 -2.383 16.847 1.00 24.12 H new ATOM 0 HA LYS A 65 -10.745 -0.982 15.727 1.00 0.41 H new ATOM 0 HB2 LYS A 65 -11.435 -3.324 14.981 1.00 22.14 H new ATOM 0 HB3 LYS A 65 -9.804 -2.836 14.564 1.00 22.14 H new ATOM 0 HG2 LYS A 65 -8.916 -4.122 16.496 1.00 23.02 H new ATOM 0 HG3 LYS A 65 -10.544 -4.596 16.937 1.00 23.02 H new ATOM 0 HD2 LYS A 65 -9.547 -6.428 15.735 1.00 72.34 H new ATOM 0 HD3 LYS A 65 -10.785 -5.728 14.710 1.00 72.34 H new ATOM 0 HE2 LYS A 65 -9.094 -4.530 13.398 1.00 70.40 H new ATOM 0 HE3 LYS A 65 -7.824 -5.057 14.483 1.00 70.40 H new ATOM 0 HZ1 LYS A 65 -7.902 -6.420 12.499 1.00 12.34 H new ATOM 0 HZ2 LYS A 65 -8.285 -7.357 13.863 1.00 12.34 H new ATOM 0 HZ3 LYS A 65 -9.516 -6.846 12.811 1.00 12.34 H new ATOM 1065 N ASN A 66 -11.811 -3.086 18.064 1.00 11.40 N ATOM 1066 CA ASN A 66 -12.807 -3.274 19.120 1.00 5.02 C ATOM 1067 C ASN A 66 -12.112 -3.559 20.460 1.00 52.10 C ATOM 1068 O ASN A 66 -11.163 -4.344 20.520 1.00 32.31 O ATOM 1069 CB ASN A 66 -13.769 -4.415 18.763 1.00 51.03 C ATOM 1070 CG ASN A 66 -14.849 -4.614 19.817 1.00 30.21 C ATOM 1071 OD1 ASN A 66 -15.231 -3.681 20.516 1.00 32.24 O ATOM 1072 ND2 ASN A 66 -15.353 -5.825 19.942 1.00 55.23 N ATOM 0 H ASN A 66 -11.138 -3.849 17.989 1.00 11.40 H new ATOM 0 HA ASN A 66 -13.387 -2.356 19.214 1.00 5.02 H new ATOM 0 HB2 ASN A 66 -14.238 -4.204 17.802 1.00 51.03 H new ATOM 0 HB3 ASN A 66 -13.204 -5.340 18.646 1.00 51.03 H new ATOM 0 HD21 ASN A 66 -16.080 -6.006 20.634 1.00 55.23 H new ATOM 0 HD22 ASN A 66 -15.016 -6.582 19.347 1.00 55.23 H new ATOM 1079 N GLU A 67 -12.580 -2.918 21.524 1.00 4.44 N ATOM 1080 CA GLU A 67 -12.008 -3.105 22.865 1.00 35.13 C ATOM 1081 C GLU A 67 -12.025 -4.589 23.283 1.00 24.23 C ATOM 1082 O GLU A 67 -11.071 -5.091 23.880 1.00 4.03 O ATOM 1083 CB GLU A 67 -12.765 -2.253 23.905 1.00 73.14 C ATOM 1084 CG GLU A 67 -12.767 -0.747 23.614 1.00 32.45 C ATOM 1085 CD GLU A 67 -13.717 -0.354 22.487 1.00 45.11 C ATOM 1086 OE1 GLU A 67 -14.926 -0.196 22.753 1.00 34.23 O ATOM 1087 OE2 GLU A 67 -13.266 -0.223 21.330 1.00 45.33 O1- ATOM 0 H GLU A 67 -13.358 -2.259 21.490 1.00 4.44 H new ATOM 0 HA GLU A 67 -10.970 -2.775 22.827 1.00 35.13 H new ATOM 0 HB2 GLU A 67 -13.797 -2.601 23.959 1.00 73.14 H new ATOM 0 HB3 GLU A 67 -12.320 -2.420 24.886 1.00 73.14 H new ATOM 0 HG2 GLU A 67 -13.046 -0.209 24.520 1.00 32.45 H new ATOM 0 HG3 GLU A 67 -11.756 -0.432 23.355 1.00 32.45 H new ATOM 1094 N GLU A 68 -13.110 -5.287 22.948 1.00 11.34 N ATOM 1095 CA GLU A 68 -13.238 -6.725 23.237 1.00 73.40 C ATOM 1096 C GLU A 68 -12.156 -7.541 22.513 1.00 51.42 C ATOM 1097 O GLU A 68 -11.565 -8.457 23.080 1.00 61.33 O ATOM 1098 CB GLU A 68 -14.622 -7.226 22.808 1.00 63.25 C ATOM 1099 CG GLU A 68 -15.779 -6.554 23.533 1.00 23.05 C ATOM 1100 CD GLU A 68 -17.125 -6.942 22.947 1.00 42.52 C ATOM 1101 OE1 GLU A 68 -17.583 -6.263 22.005 1.00 0.51 O ATOM 1102 OE2 GLU A 68 -17.725 -7.934 23.413 1.00 64.24 O1- ATOM 0 H GLU A 68 -13.918 -4.883 22.475 1.00 11.34 H new ATOM 0 HA GLU A 68 -13.111 -6.860 24.311 1.00 73.40 H new ATOM 0 HB2 GLU A 68 -14.738 -7.067 21.736 1.00 63.25 H new ATOM 0 HB3 GLU A 68 -14.676 -8.301 22.978 1.00 63.25 H new ATOM 0 HG2 GLU A 68 -15.752 -6.826 24.588 1.00 23.05 H new ATOM 0 HG3 GLU A 68 -15.660 -5.472 23.480 1.00 23.05 H new ATOM 1109 N LEU A 69 -11.909 -7.204 21.254 1.00 25.24 N ATOM 1110 CA LEU A 69 -10.889 -7.890 20.462 1.00 21.40 C ATOM 1111 C LEU A 69 -9.483 -7.557 20.993 1.00 13.41 C ATOM 1112 O LEU A 69 -8.587 -8.397 20.967 1.00 51.33 O ATOM 1113 CB LEU A 69 -11.040 -7.542 18.971 1.00 51.42 C ATOM 1114 CG LEU A 69 -10.427 -8.564 17.988 1.00 42.01 C ATOM 1115 CD1 LEU A 69 -11.084 -8.457 16.615 1.00 0.14 C ATOM 1116 CD2 LEU A 69 -8.913 -8.379 17.867 1.00 1.53 C ATOM 0 H LEU A 69 -12.399 -6.460 20.757 1.00 25.24 H new ATOM 0 HA LEU A 69 -11.028 -8.967 20.560 1.00 21.40 H new ATOM 0 HB2 LEU A 69 -12.101 -7.437 18.745 1.00 51.42 H new ATOM 0 HB3 LEU A 69 -10.579 -6.570 18.793 1.00 51.42 H new ATOM 0 HG LEU A 69 -10.616 -9.560 18.388 1.00 42.01 H new ATOM 0 HD11 LEU A 69 -10.636 -9.186 15.940 1.00 0.14 H new ATOM 0 HD12 LEU A 69 -12.152 -8.655 16.706 1.00 0.14 H new ATOM 0 HD13 LEU A 69 -10.934 -7.453 16.217 1.00 0.14 H new ATOM 0 HD21 LEU A 69 -8.511 -9.113 17.168 1.00 1.53 H new ATOM 0 HD22 LEU A 69 -8.697 -7.375 17.502 1.00 1.53 H new ATOM 0 HD23 LEU A 69 -8.450 -8.517 18.844 1.00 1.53 H new ATOM 1128 N ALA A 70 -9.298 -6.327 21.479 1.00 14.13 N ATOM 1129 CA ALA A 70 -8.039 -5.927 22.129 1.00 15.33 C ATOM 1130 C ALA A 70 -7.705 -6.863 23.303 1.00 65.13 C ATOM 1131 O ALA A 70 -6.539 -7.156 23.577 1.00 75.20 O ATOM 1132 CB ALA A 70 -8.128 -4.484 22.610 1.00 41.00 C ATOM 0 H ALA A 70 -10.001 -5.589 21.437 1.00 14.13 H new ATOM 0 HA ALA A 70 -7.237 -6.004 21.395 1.00 15.33 H new ATOM 0 HB1 ALA A 70 -7.190 -4.202 23.089 1.00 41.00 H new ATOM 0 HB2 ALA A 70 -8.313 -3.828 21.760 1.00 41.00 H new ATOM 0 HB3 ALA A 70 -8.944 -4.389 23.326 1.00 41.00 H new ATOM 1138 N LYS A 71 -8.748 -7.335 23.985 1.00 23.03 N ATOM 1139 CA LYS A 71 -8.611 -8.334 25.051 1.00 63.32 C ATOM 1140 C LYS A 71 -7.932 -9.608 24.492 1.00 13.43 C ATOM 1141 O LYS A 71 -7.126 -10.258 25.168 1.00 23.15 O ATOM 1142 CB LYS A 71 -10.013 -8.646 25.622 1.00 24.41 C ATOM 1143 CG LYS A 71 -10.046 -9.239 27.033 1.00 73.23 C ATOM 1144 CD LYS A 71 -9.559 -10.683 27.084 1.00 5.23 C ATOM 1145 CE LYS A 71 -9.876 -11.339 28.426 1.00 61.41 C ATOM 1146 NZ LYS A 71 -9.375 -10.540 29.580 1.00 54.12 N1+ ATOM 0 H LYS A 71 -9.709 -7.039 23.817 1.00 23.03 H new ATOM 0 HA LYS A 71 -7.983 -7.949 25.854 1.00 63.32 H new ATOM 0 HB2 LYS A 71 -10.596 -7.725 25.623 1.00 24.41 H new ATOM 0 HB3 LYS A 71 -10.513 -9.340 24.946 1.00 24.41 H new ATOM 0 HG2 LYS A 71 -9.428 -8.629 27.692 1.00 73.23 H new ATOM 0 HG3 LYS A 71 -11.065 -9.191 27.418 1.00 73.23 H new ATOM 0 HD2 LYS A 71 -10.026 -11.253 26.281 1.00 5.23 H new ATOM 0 HD3 LYS A 71 -8.483 -10.711 26.911 1.00 5.23 H new ATOM 0 HE2 LYS A 71 -10.954 -11.469 28.518 1.00 61.41 H new ATOM 0 HE3 LYS A 71 -9.431 -12.334 28.455 1.00 61.41 H new ATOM 0 HZ1 LYS A 71 -9.445 -11.105 30.450 1.00 54.12 H new ATOM 0 HZ2 LYS A 71 -8.382 -10.278 29.416 1.00 54.12 H new ATOM 0 HZ3 LYS A 71 -9.948 -9.678 29.680 1.00 54.12 H new ATOM 1160 N ARG A 72 -8.278 -9.953 23.250 1.00 71.13 N ATOM 1161 CA ARG A 72 -7.616 -11.044 22.517 1.00 40.45 C ATOM 1162 C ARG A 72 -6.195 -10.633 22.083 1.00 61.21 C ATOM 1163 O ARG A 72 -5.248 -11.420 22.161 1.00 54.50 O ATOM 1164 CB ARG A 72 -8.428 -11.419 21.266 1.00 5.11 C ATOM 1165 CG ARG A 72 -9.908 -11.687 21.518 1.00 51.14 C ATOM 1166 CD ARG A 72 -10.640 -11.981 20.212 1.00 75.22 C ATOM 1167 NE ARG A 72 -12.066 -12.218 20.408 1.00 4.30 N ATOM 1168 CZ ARG A 72 -12.938 -12.276 19.436 1.00 51.34 C ATOM 1169 NH1 ARG A 72 -12.568 -12.121 18.204 1.00 21.32 N1+ ATOM 1170 NH2 ARG A 72 -14.182 -12.495 19.702 1.00 75.11 N ATOM 0 H ARG A 72 -9.019 -9.490 22.724 1.00 71.13 H new ATOM 0 HA ARG A 72 -7.553 -11.902 23.187 1.00 40.45 H new ATOM 0 HB2 ARG A 72 -8.338 -10.613 20.537 1.00 5.11 H new ATOM 0 HB3 ARG A 72 -7.984 -12.307 20.815 1.00 5.11 H new ATOM 0 HG2 ARG A 72 -10.018 -12.531 22.199 1.00 51.14 H new ATOM 0 HG3 ARG A 72 -10.360 -10.823 22.006 1.00 51.14 H new ATOM 0 HD2 ARG A 72 -10.506 -11.143 19.528 1.00 75.22 H new ATOM 0 HD3 ARG A 72 -10.192 -12.854 19.738 1.00 75.22 H new ATOM 0 HE ARG A 72 -12.403 -12.346 21.362 1.00 4.30 H new ATOM 0 HH11 ARG A 72 -11.587 -11.952 17.984 1.00 21.32 H new ATOM 0 HH12 ARG A 72 -13.258 -12.168 17.454 1.00 21.32 H new ATOM 0 HH21 ARG A 72 -14.482 -12.622 20.669 1.00 75.11 H new ATOM 0 HH22 ARG A 72 -14.865 -12.541 18.946 1.00 75.11 H new ATOM 1184 N ALA A 73 -6.069 -9.389 21.619 1.00 63.51 N ATOM 1185 CA ALA A 73 -4.805 -8.851 21.094 1.00 44.10 C ATOM 1186 C ALA A 73 -3.690 -8.825 22.149 1.00 44.34 C ATOM 1187 O ALA A 73 -2.516 -8.988 21.821 1.00 61.22 O ATOM 1188 CB ALA A 73 -5.029 -7.454 20.526 1.00 32.22 C ATOM 0 H ALA A 73 -6.840 -8.722 21.595 1.00 63.51 H new ATOM 0 HA ALA A 73 -4.474 -9.521 20.301 1.00 44.10 H new ATOM 0 HB1 ALA A 73 -4.088 -7.063 20.139 1.00 32.22 H new ATOM 0 HB2 ALA A 73 -5.761 -7.502 19.719 1.00 32.22 H new ATOM 0 HB3 ALA A 73 -5.399 -6.796 21.313 1.00 32.22 H new ATOM 1194 N LYS A 74 -4.061 -8.627 23.412 1.00 62.20 N ATOM 1195 CA LYS A 74 -3.084 -8.549 24.507 1.00 42.21 C ATOM 1196 C LYS A 74 -2.147 -9.771 24.530 1.00 71.23 C ATOM 1197 O LYS A 74 -0.978 -9.654 24.902 1.00 13.44 O ATOM 1198 CB LYS A 74 -3.777 -8.367 25.867 1.00 4.24 C ATOM 1199 CG LYS A 74 -2.793 -8.137 27.018 1.00 30.25 C ATOM 1200 CD LYS A 74 -3.471 -7.571 28.267 1.00 62.32 C ATOM 1201 CE LYS A 74 -4.509 -8.523 28.845 1.00 32.14 C ATOM 1202 NZ LYS A 74 -5.105 -7.996 30.100 1.00 10.34 N1+ ATOM 0 H LYS A 74 -5.031 -8.517 23.707 1.00 62.20 H new ATOM 0 HA LYS A 74 -2.470 -7.668 24.320 1.00 42.21 H new ATOM 0 HB2 LYS A 74 -4.462 -7.521 25.808 1.00 4.24 H new ATOM 0 HB3 LYS A 74 -4.379 -9.250 26.082 1.00 4.24 H new ATOM 0 HG2 LYS A 74 -2.306 -9.079 27.269 1.00 30.25 H new ATOM 0 HG3 LYS A 74 -2.011 -7.451 26.691 1.00 30.25 H new ATOM 0 HD2 LYS A 74 -2.715 -7.359 29.023 1.00 62.32 H new ATOM 0 HD3 LYS A 74 -3.949 -6.623 28.020 1.00 62.32 H new ATOM 0 HE2 LYS A 74 -5.297 -8.690 28.111 1.00 32.14 H new ATOM 0 HE3 LYS A 74 -4.046 -9.490 29.041 1.00 32.14 H new ATOM 0 HZ1 LYS A 74 -5.807 -8.673 30.462 1.00 10.34 H new ATOM 0 HZ2 LYS A 74 -4.357 -7.860 30.809 1.00 10.34 H new ATOM 0 HZ3 LYS A 74 -5.569 -7.085 29.908 1.00 10.34 H new ATOM 1216 N LYS A 75 -2.659 -10.945 24.154 1.00 3.12 N ATOM 1217 CA LYS A 75 -1.823 -12.156 24.074 1.00 44.23 C ATOM 1218 C LYS A 75 -0.597 -11.933 23.165 1.00 5.33 C ATOM 1219 O LYS A 75 0.489 -12.439 23.447 1.00 72.02 O ATOM 1220 CB LYS A 75 -2.631 -13.363 23.563 1.00 34.31 C ATOM 1221 CG LYS A 75 -3.607 -13.951 24.583 1.00 14.20 C ATOM 1222 CD LYS A 75 -4.822 -13.057 24.816 1.00 2.23 C ATOM 1223 CE LYS A 75 -5.780 -13.663 25.833 1.00 23.42 C ATOM 1224 NZ LYS A 75 -7.021 -12.859 25.978 1.00 71.23 N1+ ATOM 0 H LYS A 75 -3.637 -11.088 23.902 1.00 3.12 H new ATOM 0 HA LYS A 75 -1.476 -12.369 25.085 1.00 44.23 H new ATOM 0 HB2 LYS A 75 -3.189 -13.061 22.677 1.00 34.31 H new ATOM 0 HB3 LYS A 75 -1.937 -14.143 23.252 1.00 34.31 H new ATOM 0 HG2 LYS A 75 -3.941 -14.929 24.238 1.00 14.20 H new ATOM 0 HG3 LYS A 75 -3.088 -14.107 25.529 1.00 14.20 H new ATOM 0 HD2 LYS A 75 -4.492 -12.078 25.165 1.00 2.23 H new ATOM 0 HD3 LYS A 75 -5.345 -12.900 23.872 1.00 2.23 H new ATOM 0 HE2 LYS A 75 -6.039 -14.677 25.528 1.00 23.42 H new ATOM 0 HE3 LYS A 75 -5.282 -13.738 26.800 1.00 23.42 H new ATOM 0 HZ1 LYS A 75 -7.248 -12.749 26.987 1.00 71.23 H new ATOM 0 HZ2 LYS A 75 -6.879 -11.921 25.551 1.00 71.23 H new ATOM 0 HZ3 LYS A 75 -7.806 -13.343 25.497 1.00 71.23 H new ATOM 1238 N LEU A 76 -0.771 -11.169 22.084 1.00 1.33 N ATOM 1239 CA LEU A 76 0.355 -10.799 21.211 1.00 22.05 C ATOM 1240 C LEU A 76 1.364 -9.928 21.974 1.00 51.04 C ATOM 1241 O LEU A 76 2.575 -10.070 21.815 1.00 11.51 O ATOM 1242 CB LEU A 76 -0.135 -10.053 19.956 1.00 52.42 C ATOM 1243 CG LEU A 76 -0.862 -10.909 18.899 1.00 1.12 C ATOM 1244 CD1 LEU A 76 -2.156 -11.499 19.453 1.00 62.32 C ATOM 1245 CD2 LEU A 76 -1.136 -10.084 17.641 1.00 11.24 C ATOM 0 H LEU A 76 -1.673 -10.795 21.790 1.00 1.33 H new ATOM 0 HA LEU A 76 0.845 -11.720 20.895 1.00 22.05 H new ATOM 0 HB2 LEU A 76 -0.806 -9.254 20.272 1.00 52.42 H new ATOM 0 HB3 LEU A 76 0.724 -9.578 19.482 1.00 52.42 H new ATOM 0 HG LEU A 76 -0.209 -11.741 18.634 1.00 1.12 H new ATOM 0 HD11 LEU A 76 -2.643 -12.096 18.682 1.00 62.32 H new ATOM 0 HD12 LEU A 76 -1.929 -12.130 20.312 1.00 62.32 H new ATOM 0 HD13 LEU A 76 -2.821 -10.692 19.761 1.00 62.32 H new ATOM 0 HD21 LEU A 76 -1.649 -10.703 16.905 1.00 11.24 H new ATOM 0 HD22 LEU A 76 -1.762 -9.229 17.896 1.00 11.24 H new ATOM 0 HD23 LEU A 76 -0.192 -9.732 17.224 1.00 11.24 H new ATOM 1257 N LEU A 77 0.851 -9.033 22.813 1.00 15.13 N ATOM 1258 CA LEU A 77 1.703 -8.200 23.672 1.00 64.42 C ATOM 1259 C LEU A 77 2.474 -9.073 24.677 1.00 14.43 C ATOM 1260 O LEU A 77 3.607 -8.764 25.052 1.00 31.11 O ATOM 1261 CB LEU A 77 0.864 -7.142 24.415 1.00 71.33 C ATOM 1262 CG LEU A 77 0.348 -5.962 23.562 1.00 24.31 C ATOM 1263 CD1 LEU A 77 -0.519 -6.443 22.400 1.00 62.34 C ATOM 1264 CD2 LEU A 77 -0.430 -4.975 24.432 1.00 33.43 C ATOM 0 H LEU A 77 -0.149 -8.862 22.920 1.00 15.13 H new ATOM 0 HA LEU A 77 2.422 -7.683 23.037 1.00 64.42 H new ATOM 0 HB2 LEU A 77 0.006 -7.640 24.867 1.00 71.33 H new ATOM 0 HB3 LEU A 77 1.464 -6.739 25.231 1.00 71.33 H new ATOM 0 HG LEU A 77 1.216 -5.456 23.140 1.00 24.31 H new ATOM 0 HD11 LEU A 77 -0.863 -5.585 21.823 1.00 62.34 H new ATOM 0 HD12 LEU A 77 0.066 -7.101 21.757 1.00 62.34 H new ATOM 0 HD13 LEU A 77 -1.380 -6.987 22.789 1.00 62.34 H new ATOM 0 HD21 LEU A 77 -0.787 -4.150 23.816 1.00 33.43 H new ATOM 0 HD22 LEU A 77 -1.281 -5.483 24.886 1.00 33.43 H new ATOM 0 HD23 LEU A 77 0.222 -4.588 25.215 1.00 33.43 H new ATOM 1276 N ARG A 78 1.848 -10.170 25.107 1.00 15.33 N ATOM 1277 CA ARG A 78 2.514 -11.161 25.960 1.00 64.10 C ATOM 1278 C ARG A 78 3.687 -11.819 25.218 1.00 14.14 C ATOM 1279 O ARG A 78 4.728 -12.096 25.813 1.00 22.32 O ATOM 1280 CB ARG A 78 1.518 -12.232 26.439 1.00 14.42 C ATOM 1281 CG ARG A 78 0.518 -11.734 27.481 1.00 21.14 C ATOM 1282 CD ARG A 78 1.220 -11.258 28.749 1.00 3.11 C ATOM 1283 NE ARG A 78 2.096 -12.288 29.309 1.00 10.35 N ATOM 1284 CZ ARG A 78 3.148 -12.035 30.041 1.00 63.25 C ATOM 1285 NH1 ARG A 78 3.473 -10.821 30.348 1.00 23.11 N1+ ATOM 1286 NH2 ARG A 78 3.884 -13.001 30.472 1.00 12.20 N ATOM 0 H ARG A 78 0.880 -10.396 24.879 1.00 15.33 H new ATOM 0 HA ARG A 78 2.905 -10.640 26.834 1.00 64.10 H new ATOM 0 HB2 ARG A 78 0.969 -12.613 25.578 1.00 14.42 H new ATOM 0 HB3 ARG A 78 2.076 -13.070 26.858 1.00 14.42 H new ATOM 0 HG2 ARG A 78 -0.070 -10.918 27.061 1.00 21.14 H new ATOM 0 HG3 ARG A 78 -0.179 -12.534 27.729 1.00 21.14 H new ATOM 0 HD2 ARG A 78 1.805 -10.366 28.526 1.00 3.11 H new ATOM 0 HD3 ARG A 78 0.474 -10.973 29.491 1.00 3.11 H new ATOM 0 HE ARG A 78 1.871 -13.264 29.116 1.00 10.35 H new ATOM 0 HH11 ARG A 78 2.904 -10.042 30.017 1.00 23.11 H new ATOM 0 HH12 ARG A 78 4.298 -10.643 30.921 1.00 23.11 H new ATOM 0 HH21 ARG A 78 3.646 -13.966 30.242 1.00 12.20 H new ATOM 0 HH22 ARG A 78 4.705 -12.801 31.043 1.00 12.20 H new ATOM 1300 N SER A 79 3.517 -12.056 23.916 1.00 5.43 N ATOM 1301 CA SER A 79 4.601 -12.588 23.073 1.00 52.00 C ATOM 1302 C SER A 79 5.843 -11.686 23.117 1.00 54.00 C ATOM 1303 O SER A 79 6.970 -12.158 22.962 1.00 3.33 O ATOM 1304 CB SER A 79 4.137 -12.747 21.616 1.00 55.43 C ATOM 1305 OG SER A 79 3.063 -13.671 21.511 1.00 3.11 O ATOM 0 H SER A 79 2.642 -11.890 23.419 1.00 5.43 H new ATOM 0 HA SER A 79 4.866 -13.566 23.474 1.00 52.00 H new ATOM 0 HB2 SER A 79 3.825 -11.779 21.224 1.00 55.43 H new ATOM 0 HB3 SER A 79 4.971 -13.086 21.002 1.00 55.43 H new ATOM 0 HG SER A 79 2.789 -13.749 20.573 1.00 3.11 H new ATOM 1311 N TRP A 80 5.627 -10.387 23.326 1.00 73.12 N ATOM 1312 CA TRP A 80 6.729 -9.419 23.446 1.00 11.11 C ATOM 1313 C TRP A 80 7.323 -9.458 24.864 1.00 33.04 C ATOM 1314 O TRP A 80 8.542 -9.516 25.049 1.00 23.31 O ATOM 1315 CB TRP A 80 6.230 -7.999 23.127 1.00 51.13 C ATOM 1316 CG TRP A 80 5.415 -7.901 21.861 1.00 61.22 C ATOM 1317 CD1 TRP A 80 5.171 -8.894 20.953 1.00 33.33 C ATOM 1318 CD2 TRP A 80 4.739 -6.737 21.364 1.00 64.10 C ATOM 1319 NE1 TRP A 80 4.371 -8.426 19.943 1.00 63.31 N ATOM 1320 CE2 TRP A 80 4.097 -7.108 20.168 1.00 64.11 C ATOM 1321 CE3 TRP A 80 4.605 -5.419 21.816 1.00 4.04 C ATOM 1322 CZ2 TRP A 80 3.336 -6.219 19.421 1.00 74.41 C ATOM 1323 CZ3 TRP A 80 3.850 -4.534 21.068 1.00 4.45 C ATOM 1324 CH2 TRP A 80 3.225 -4.941 19.882 1.00 35.31 C ATOM 0 H TRP A 80 4.698 -9.975 23.417 1.00 73.12 H new ATOM 0 HA TRP A 80 7.505 -9.690 22.730 1.00 11.11 H new ATOM 0 HB2 TRP A 80 5.628 -7.641 23.962 1.00 51.13 H new ATOM 0 HB3 TRP A 80 7.089 -7.334 23.045 1.00 51.13 H new ATOM 0 HD1 TRP A 80 5.553 -9.902 21.022 1.00 33.33 H new ATOM 0 HE1 TRP A 80 4.035 -8.974 19.151 1.00 63.31 H new ATOM 0 HE3 TRP A 80 5.082 -5.099 22.731 1.00 4.04 H new ATOM 0 HZ2 TRP A 80 2.850 -6.529 18.508 1.00 74.41 H new ATOM 0 HZ3 TRP A 80 3.741 -3.513 21.403 1.00 4.45 H new ATOM 0 HH2 TRP A 80 2.642 -4.226 19.320 1.00 35.31 H new ATOM 1335 N GLN A 81 6.440 -9.436 25.864 1.00 32.14 N ATOM 1336 CA GLN A 81 6.841 -9.549 27.274 1.00 73.54 C ATOM 1337 C GLN A 81 7.511 -10.912 27.555 1.00 13.03 C ATOM 1338 O GLN A 81 8.247 -11.073 28.528 1.00 12.51 O ATOM 1339 CB GLN A 81 5.619 -9.366 28.185 1.00 54.13 C ATOM 1340 CG GLN A 81 4.911 -8.016 28.038 1.00 22.32 C ATOM 1341 CD GLN A 81 5.759 -6.832 28.491 1.00 52.23 C ATOM 1342 OE1 GLN A 81 5.772 -6.484 29.667 1.00 75.32 O ATOM 1343 NE2 GLN A 81 6.440 -6.176 27.567 1.00 55.41 N ATOM 0 H GLN A 81 5.434 -9.340 25.725 1.00 32.14 H new ATOM 0 HA GLN A 81 7.567 -8.764 27.484 1.00 73.54 H new ATOM 0 HB2 GLN A 81 4.904 -10.161 27.976 1.00 54.13 H new ATOM 0 HB3 GLN A 81 5.934 -9.485 29.222 1.00 54.13 H new ATOM 0 HG2 GLN A 81 4.630 -7.874 26.994 1.00 22.32 H new ATOM 0 HG3 GLN A 81 3.988 -8.034 28.617 1.00 22.32 H new ATOM 0 HE21 GLN A 81 6.412 -6.487 26.596 1.00 55.41 H new ATOM 0 HE22 GLN A 81 6.994 -5.359 27.825 1.00 55.41 H new ATOM 1352 N LYS A 82 7.258 -11.877 26.673 1.00 53.34 N ATOM 1353 CA LYS A 82 7.843 -13.222 26.761 1.00 71.22 C ATOM 1354 C LYS A 82 9.382 -13.176 26.705 1.00 20.32 C ATOM 1355 O LYS A 82 10.056 -14.116 27.124 1.00 10.10 O ATOM 1356 CB LYS A 82 7.258 -14.082 25.613 1.00 62.43 C ATOM 1357 CG LYS A 82 7.922 -15.449 25.372 1.00 34.43 C ATOM 1358 CD LYS A 82 9.138 -15.364 24.438 1.00 14.24 C ATOM 1359 CE LYS A 82 8.798 -14.726 23.092 1.00 53.33 C ATOM 1360 NZ LYS A 82 7.844 -15.545 22.294 1.00 44.54 N1+ ATOM 0 H LYS A 82 6.639 -11.752 25.872 1.00 53.34 H new ATOM 0 HA LYS A 82 7.587 -13.669 27.721 1.00 71.22 H new ATOM 0 HB2 LYS A 82 6.200 -14.248 25.816 1.00 62.43 H new ATOM 0 HB3 LYS A 82 7.319 -13.506 24.690 1.00 62.43 H new ATOM 0 HG2 LYS A 82 8.233 -15.870 26.328 1.00 34.43 H new ATOM 0 HG3 LYS A 82 7.189 -16.134 24.945 1.00 34.43 H new ATOM 0 HD2 LYS A 82 9.924 -14.785 24.922 1.00 14.24 H new ATOM 0 HD3 LYS A 82 9.535 -16.365 24.272 1.00 14.24 H new ATOM 0 HE2 LYS A 82 8.370 -13.738 23.260 1.00 53.33 H new ATOM 0 HE3 LYS A 82 9.715 -14.583 22.520 1.00 53.33 H new ATOM 0 HZ1 LYS A 82 7.790 -15.170 21.325 1.00 44.54 H new ATOM 0 HZ2 LYS A 82 8.173 -16.531 22.266 1.00 44.54 H new ATOM 0 HZ3 LYS A 82 6.902 -15.506 22.733 1.00 44.54 H new ATOM 1374 N LEU A 83 9.933 -12.079 26.190 1.00 15.11 N ATOM 1375 CA LEU A 83 11.389 -11.918 26.103 1.00 61.21 C ATOM 1376 C LEU A 83 11.991 -11.336 27.395 1.00 13.02 C ATOM 1377 O LEU A 83 13.170 -11.547 27.682 1.00 62.31 O ATOM 1378 CB LEU A 83 11.748 -11.038 24.900 1.00 1.45 C ATOM 1379 CG LEU A 83 11.359 -11.624 23.531 1.00 73.23 C ATOM 1380 CD1 LEU A 83 11.736 -10.673 22.402 1.00 15.15 C ATOM 1381 CD2 LEU A 83 12.016 -12.987 23.321 1.00 43.42 C ATOM 0 H LEU A 83 9.399 -11.289 25.827 1.00 15.11 H new ATOM 0 HA LEU A 83 11.821 -12.910 25.969 1.00 61.21 H new ATOM 0 HB2 LEU A 83 11.260 -10.071 25.017 1.00 1.45 H new ATOM 0 HB3 LEU A 83 12.823 -10.856 24.909 1.00 1.45 H new ATOM 0 HG LEU A 83 10.277 -11.755 23.518 1.00 73.23 H new ATOM 0 HD11 LEU A 83 11.450 -11.112 21.446 1.00 15.15 H new ATOM 0 HD12 LEU A 83 11.216 -9.725 22.536 1.00 15.15 H new ATOM 0 HD13 LEU A 83 12.812 -10.501 22.415 1.00 15.15 H new ATOM 0 HD21 LEU A 83 11.728 -13.384 22.347 1.00 43.42 H new ATOM 0 HD22 LEU A 83 13.100 -12.879 23.363 1.00 43.42 H new ATOM 0 HD23 LEU A 83 11.690 -13.673 24.103 1.00 43.42 H new ATOM 1393 N ILE A 84 11.188 -10.604 28.173 1.00 5.02 N ATOM 1394 CA ILE A 84 11.659 -10.043 29.452 1.00 12.43 C ATOM 1395 C ILE A 84 11.349 -10.985 30.628 1.00 22.00 C ATOM 1396 O ILE A 84 11.979 -10.906 31.685 1.00 72.32 O ATOM 1397 CB ILE A 84 11.037 -8.649 29.749 1.00 23.34 C ATOM 1398 CG1 ILE A 84 9.515 -8.752 29.952 1.00 31.11 C ATOM 1399 CG2 ILE A 84 11.366 -7.667 28.626 1.00 51.31 C ATOM 1400 CD1 ILE A 84 8.850 -7.444 30.327 1.00 64.11 C ATOM 0 H ILE A 84 10.218 -10.385 27.947 1.00 5.02 H new ATOM 0 HA ILE A 84 12.738 -9.930 29.349 1.00 12.43 H new ATOM 0 HB ILE A 84 11.473 -8.275 30.675 1.00 23.34 H new ATOM 0 HG12 ILE A 84 9.062 -9.127 29.035 1.00 31.11 H new ATOM 0 HG13 ILE A 84 9.312 -9.487 30.731 1.00 31.11 H new ATOM 0 HG21 ILE A 84 10.923 -6.697 28.850 1.00 51.31 H new ATOM 0 HG22 ILE A 84 12.447 -7.561 28.540 1.00 51.31 H new ATOM 0 HG23 ILE A 84 10.962 -8.042 27.685 1.00 51.31 H new ATOM 0 HD11 ILE A 84 7.779 -7.603 30.452 1.00 64.11 H new ATOM 0 HD12 ILE A 84 9.273 -7.075 31.261 1.00 64.11 H new ATOM 0 HD13 ILE A 84 9.019 -6.711 29.538 1.00 64.11 H new ATOM 1412 N GLU A 85 10.371 -11.869 30.438 1.00 52.41 N ATOM 1413 CA GLU A 85 9.992 -12.847 31.464 1.00 41.23 C ATOM 1414 C GLU A 85 10.305 -14.283 31.014 1.00 55.34 C ATOM 1415 O GLU A 85 10.253 -14.597 29.826 1.00 72.54 O ATOM 1416 CB GLU A 85 8.492 -12.741 31.781 1.00 33.02 C ATOM 1417 CG GLU A 85 8.045 -11.366 32.256 1.00 5.42 C ATOM 1418 CD GLU A 85 6.579 -11.337 32.656 1.00 11.35 C ATOM 1419 OE1 GLU A 85 6.289 -11.240 33.869 1.00 53.03 O ATOM 1420 OE2 GLU A 85 5.711 -11.421 31.769 1.00 54.24 O1- ATOM 0 H GLU A 85 9.823 -11.930 29.580 1.00 52.41 H new ATOM 0 HA GLU A 85 10.576 -12.621 32.356 1.00 41.23 H new ATOM 0 HB2 GLU A 85 7.925 -13.006 30.889 1.00 33.02 H new ATOM 0 HB3 GLU A 85 8.242 -13.475 32.547 1.00 33.02 H new ATOM 0 HG2 GLU A 85 8.656 -11.062 33.106 1.00 5.42 H new ATOM 0 HG3 GLU A 85 8.217 -10.638 31.463 1.00 5.42 H new ATOM 1427 N PRO A 86 10.623 -15.184 31.964 1.00 14.30 N ATOM 1428 CA PRO A 86 10.795 -16.615 31.664 1.00 33.25 C ATOM 1429 C PRO A 86 9.448 -17.333 31.437 1.00 63.03 C ATOM 1430 O PRO A 86 9.399 -18.554 31.264 1.00 0.13 O ATOM 1431 CB PRO A 86 11.503 -17.149 32.915 1.00 60.51 C ATOM 1432 CG PRO A 86 11.058 -16.244 34.014 1.00 74.32 C ATOM 1433 CD PRO A 86 10.865 -14.884 33.390 1.00 15.24 C ATOM 0 HA PRO A 86 11.353 -16.782 30.743 1.00 33.25 H new ATOM 0 HB2 PRO A 86 11.225 -18.184 33.116 1.00 60.51 H new ATOM 0 HB3 PRO A 86 12.586 -17.127 32.797 1.00 60.51 H new ATOM 0 HG2 PRO A 86 10.131 -16.602 34.461 1.00 74.32 H new ATOM 0 HG3 PRO A 86 11.801 -16.205 34.810 1.00 74.32 H new ATOM 0 HD2 PRO A 86 10.023 -14.355 33.836 1.00 15.24 H new ATOM 0 HD3 PRO A 86 11.744 -14.254 33.523 1.00 15.24 H new ATOM 1441 N ALA A 87 8.355 -16.566 31.439 1.00 32.34 N ATOM 1442 CA ALA A 87 7.015 -17.105 31.179 1.00 70.31 C ATOM 1443 C ALA A 87 6.680 -17.045 29.680 1.00 32.42 C ATOM 1444 O ALA A 87 6.477 -15.969 29.121 1.00 21.24 O ATOM 1445 CB ALA A 87 5.974 -16.336 31.991 1.00 40.44 C ATOM 0 H ALA A 87 8.371 -15.562 31.619 1.00 32.34 H new ATOM 0 HA ALA A 87 6.999 -18.151 31.485 1.00 70.31 H new ATOM 0 HB1 ALA A 87 4.983 -16.744 31.791 1.00 40.44 H new ATOM 0 HB2 ALA A 87 6.198 -16.432 33.053 1.00 40.44 H new ATOM 0 HB3 ALA A 87 5.997 -15.283 31.709 1.00 40.44 H new ATOM 1451 N HIS A 88 6.647 -18.205 29.028 1.00 25.02 N ATOM 1452 CA HIS A 88 6.402 -18.273 27.583 1.00 54.30 C ATOM 1453 C HIS A 88 4.947 -18.645 27.249 1.00 65.41 C ATOM 1454 O HIS A 88 4.397 -18.157 26.267 1.00 14.33 O ATOM 1455 CB HIS A 88 7.365 -19.279 26.930 1.00 14.53 C ATOM 1456 CG HIS A 88 8.793 -18.814 26.891 1.00 11.44 C ATOM 1457 ND1 HIS A 88 9.611 -18.982 25.792 1.00 3.32 N ATOM 1458 CD2 HIS A 88 9.556 -18.193 27.825 1.00 13.21 C ATOM 1459 CE1 HIS A 88 10.805 -18.488 26.051 1.00 75.40 C ATOM 1460 NE2 HIS A 88 10.797 -18.005 27.274 1.00 24.22 N ATOM 0 H HIS A 88 6.786 -19.112 29.474 1.00 25.02 H new ATOM 0 HA HIS A 88 6.581 -17.276 27.180 1.00 54.30 H new ATOM 0 HB2 HIS A 88 7.315 -20.222 27.474 1.00 14.53 H new ATOM 0 HB3 HIS A 88 7.030 -19.480 25.912 1.00 14.53 H new ATOM 0 HD1 HIS A 88 9.334 -19.421 24.914 1.00 3.32 H new ATOM 0 HD2 HIS A 88 9.244 -17.901 28.817 1.00 13.21 H new ATOM 0 HE1 HIS A 88 11.647 -18.481 25.374 1.00 75.40 H new ATOM 1469 N GLN A 89 4.329 -19.510 28.054 1.00 24.55 N ATOM 1470 CA GLN A 89 2.967 -19.991 27.769 1.00 43.40 C ATOM 1471 C GLN A 89 2.923 -20.716 26.407 1.00 11.34 C ATOM 1472 O GLN A 89 1.978 -20.559 25.632 1.00 60.31 O ATOM 1473 CB GLN A 89 1.966 -18.815 27.793 1.00 73.45 C ATOM 1474 CG GLN A 89 1.861 -18.114 29.147 1.00 11.43 C ATOM 1475 CD GLN A 89 0.925 -16.911 29.123 1.00 74.54 C ATOM 1476 OE1 GLN A 89 1.344 -15.781 28.892 1.00 51.10 O ATOM 1477 NE2 GLN A 89 -0.353 -17.145 29.353 1.00 3.22 N ATOM 0 H GLN A 89 4.742 -19.893 28.904 1.00 24.55 H new ATOM 0 HA GLN A 89 2.681 -20.703 28.544 1.00 43.40 H new ATOM 0 HB2 GLN A 89 2.261 -18.085 27.040 1.00 73.45 H new ATOM 0 HB3 GLN A 89 0.981 -19.185 27.510 1.00 73.45 H new ATOM 0 HG2 GLN A 89 1.509 -18.827 29.893 1.00 11.43 H new ATOM 0 HG3 GLN A 89 2.853 -17.789 29.460 1.00 11.43 H new ATOM 0 HE21 GLN A 89 -0.671 -18.095 29.542 1.00 3.22 H new ATOM 0 HE22 GLN A 89 -1.022 -16.376 29.342 1.00 3.22 H new ATOM 1486 N HIS A 90 3.963 -21.522 26.147 1.00 72.34 N ATOM 1487 CA HIS A 90 4.146 -22.246 24.871 1.00 3.44 C ATOM 1488 C HIS A 90 4.658 -21.334 23.735 1.00 15.21 C ATOM 1489 O HIS A 90 4.813 -21.781 22.597 1.00 23.22 O ATOM 1490 CB HIS A 90 2.862 -22.979 24.441 1.00 1.54 C ATOM 1491 CG HIS A 90 2.507 -24.139 25.325 1.00 31.52 C ATOM 1492 ND1 HIS A 90 1.423 -24.141 26.178 1.00 4.11 N ATOM 1493 CD2 HIS A 90 3.094 -25.353 25.472 1.00 23.43 C ATOM 1494 CE1 HIS A 90 1.362 -25.297 26.808 1.00 44.12 C ATOM 1495 NE2 HIS A 90 2.361 -26.049 26.397 1.00 24.55 N ATOM 0 H HIS A 90 4.710 -21.694 26.820 1.00 72.34 H new ATOM 0 HA HIS A 90 4.919 -22.992 25.058 1.00 3.44 H new ATOM 0 HB2 HIS A 90 2.034 -22.270 24.436 1.00 1.54 H new ATOM 0 HB3 HIS A 90 2.983 -23.336 23.418 1.00 1.54 H new ATOM 0 HD2 HIS A 90 3.975 -25.705 24.956 1.00 23.43 H new ATOM 0 HE1 HIS A 90 0.618 -25.580 27.538 1.00 44.12 H new ATOM 0 HE2 HIS A 90 2.558 -26.998 26.716 1.00 24.55 H new ATOM 1504 N GLU A 91 4.936 -20.067 24.045 1.00 15.40 N ATOM 1505 CA GLU A 91 5.562 -19.150 23.076 1.00 53.01 C ATOM 1506 C GLU A 91 7.035 -19.509 22.838 1.00 12.54 C ATOM 1507 O GLU A 91 7.759 -19.853 23.774 1.00 74.31 O ATOM 1508 CB GLU A 91 5.473 -17.694 23.569 1.00 25.11 C ATOM 1509 CG GLU A 91 4.290 -16.908 23.019 1.00 40.34 C ATOM 1510 CD GLU A 91 4.456 -16.577 21.546 1.00 4.35 C ATOM 1511 OE1 GLU A 91 3.605 -16.991 20.731 1.00 53.51 O ATOM 1512 OE2 GLU A 91 5.450 -15.897 21.197 1.00 52.31 O1- ATOM 0 H GLU A 91 4.741 -19.648 24.954 1.00 15.40 H new ATOM 0 HA GLU A 91 5.017 -19.252 22.137 1.00 53.01 H new ATOM 0 HB2 GLU A 91 5.416 -17.696 24.658 1.00 25.11 H new ATOM 0 HB3 GLU A 91 6.393 -17.176 23.299 1.00 25.11 H new ATOM 0 HG2 GLU A 91 3.376 -17.485 23.159 1.00 40.34 H new ATOM 0 HG3 GLU A 91 4.174 -15.985 23.586 1.00 40.34 H new ATOM 1519 N ALA A 92 7.471 -19.418 21.584 1.00 70.15 N ATOM 1520 CA ALA A 92 8.885 -19.607 21.238 1.00 33.05 C ATOM 1521 C ALA A 92 9.763 -18.513 21.877 1.00 14.34 C ATOM 1522 O ALA A 92 10.505 -18.817 22.838 1.00 38.94 O ATOM 1523 CB ALA A 92 9.059 -19.624 19.721 1.00 74.34 C ATOM 1524 OXT ALA A 92 9.676 -17.345 21.439 1.00 38.94 O ATOM 0 H ALA A 92 6.868 -19.214 20.787 1.00 70.15 H new ATOM 0 HA ALA A 92 9.210 -20.568 21.637 1.00 33.05 H new ATOM 0 HB1 ALA A 92 10.112 -19.765 19.477 1.00 74.34 H new ATOM 0 HB2 ALA A 92 8.476 -20.441 19.297 1.00 74.34 H new ATOM 0 HB3 ALA A 92 8.713 -18.678 19.305 1.00 74.34 H new TER 1530 ALA A 92