USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 932 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 109 THR OG1 : rot -83:sc= 0.996 USER MOD Set 1.2: A 114 HIS : +bothHN:sc= -11! C(o=-10!,f=-14!) USER MOD Set 2.1: A 12 HIS :FLIP no HE2:sc= 0.753 F(o=-3.9,f=1.5) USER MOD Set 2.2: A 72 SER OG : rot -112:sc= 0.773 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 130:sc= -3.13! USER MOD Single : A 16 LYS NZ :NH3+ -145:sc= -0.0591 (180deg=-0.576) USER MOD Single : A 17 HIS : no HD1:sc= -5.11! C(o=-5.1!,f=-7.6!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.177 F(o=-0.72,f=-0.18) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -128:sc=-0.000321 (180deg=-0.084) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -137:sc= 0.304 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -3.21! C(o=-5.2!,f=-3.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 150:sc= -2.94! USER MOD Single : A 57 LYS NZ :NH3+ -116:sc=-0.00547 (180deg=-0.258) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 75:sc= -4.06! USER MOD Single : A 68 SER OG : rot -95:sc= -5.63! USER MOD Single : A 70 CYS SG : rot 62:sc= -0.544 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -9:sc= 0.442! USER MOD Single : A 86 GLN : amide:sc= -7.39! C(o=-7.4!,f=-8.6!) USER MOD Single : A 87 MET CE :methyl -138:sc= -13.6! (180deg=-21.3!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 122:sc= 0.739 USER MOD Single : A 96 TYR OH : rot 30:sc= -0.0235 USER MOD Single : A 99 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0791) USER MOD Single : A 104 SER OG : rot 120:sc= -0.578! USER MOD Single : A 111 SER OG : rot -124:sc= 0.0217 USER MOD Single : A 117 LYS NZ :NH3+ -176:sc= -2.81! (180deg=-3.01!) USER MOD Single : A 119 THR OG1 : rot 180:sc= -2.38! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 36.100 5.225 2.814 1.00 0.00 N ATOM 2 CA HIS A 1 34.748 5.195 3.445 1.00 0.00 C ATOM 3 C HIS A 1 34.415 6.562 4.049 1.00 0.00 C ATOM 4 O HIS A 1 35.227 7.169 4.719 1.00 0.00 O ATOM 5 CB HIS A 1 34.847 4.133 4.540 1.00 0.00 C ATOM 6 CG HIS A 1 33.870 3.028 4.257 1.00 0.00 C ATOM 7 ND1 HIS A 1 32.694 2.877 4.975 1.00 0.00 N ATOM 8 CD2 HIS A 1 33.879 2.010 3.336 1.00 0.00 C ATOM 9 CE1 HIS A 1 32.051 1.804 4.479 1.00 0.00 C ATOM 10 NE2 HIS A 1 32.730 1.238 3.478 1.00 0.00 N ATOM 0 H1 HIS A 1 36.314 4.292 2.408 1.00 0.00 H new ATOM 0 H2 HIS A 1 36.116 5.942 2.061 1.00 0.00 H new ATOM 0 H3 HIS A 1 36.813 5.462 3.533 1.00 0.00 H new ATOM 0 HA HIS A 1 33.961 4.967 2.726 1.00 0.00 H new ATOM 0 HB2 HIS A 1 35.860 3.734 4.584 1.00 0.00 H new ATOM 0 HB3 HIS A 1 34.637 4.578 5.513 1.00 0.00 H new ATOM 0 HD2 HIS A 1 34.660 1.835 2.611 1.00 0.00 H new ATOM 0 HE1 HIS A 1 31.101 1.444 4.846 1.00 0.00 H new ATOM 0 HE2 HIS A 1 32.464 0.417 2.935 1.00 0.00 H new ATOM 18 N MET A 2 33.226 7.050 3.818 1.00 0.00 N ATOM 19 CA MET A 2 32.842 8.377 4.380 1.00 0.00 C ATOM 20 C MET A 2 31.534 8.259 5.167 1.00 0.00 C ATOM 21 O MET A 2 31.464 8.605 6.330 1.00 0.00 O ATOM 22 CB MET A 2 32.654 9.284 3.164 1.00 0.00 C ATOM 23 CG MET A 2 33.062 10.713 3.526 1.00 0.00 C ATOM 24 SD MET A 2 34.821 10.950 3.164 1.00 0.00 S ATOM 25 CE MET A 2 35.134 12.245 4.389 1.00 0.00 C ATOM 0 H MET A 2 32.504 6.588 3.265 1.00 0.00 H new ATOM 0 HA MET A 2 33.593 8.767 5.067 1.00 0.00 H new ATOM 0 HB2 MET A 2 33.256 8.922 2.331 1.00 0.00 H new ATOM 0 HB3 MET A 2 31.614 9.263 2.838 1.00 0.00 H new ATOM 0 HG2 MET A 2 32.464 11.427 2.960 1.00 0.00 H new ATOM 0 HG3 MET A 2 32.869 10.901 4.582 1.00 0.00 H new ATOM 0 HE1 MET A 2 36.180 12.547 4.340 1.00 0.00 H new ATOM 0 HE2 MET A 2 34.498 13.105 4.180 1.00 0.00 H new ATOM 0 HE3 MET A 2 34.913 11.864 5.386 1.00 0.00 H new ATOM 35 N ALA A 3 30.497 7.773 4.542 1.00 0.00 N ATOM 36 CA ALA A 3 29.194 7.632 5.252 1.00 0.00 C ATOM 37 C ALA A 3 28.159 6.978 4.332 1.00 0.00 C ATOM 38 O ALA A 3 27.464 6.059 4.717 1.00 0.00 O ATOM 39 CB ALA A 3 28.777 9.061 5.601 1.00 0.00 C ATOM 0 H ALA A 3 30.496 7.467 3.569 1.00 0.00 H new ATOM 0 HA ALA A 3 29.272 7.003 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 3 27.823 9.043 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 3 29.535 9.516 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 3 28.675 9.644 4.686 1.00 0.00 H new ATOM 45 N SER A 4 28.052 7.444 3.117 1.00 0.00 N ATOM 46 CA SER A 4 27.063 6.846 2.174 1.00 0.00 C ATOM 47 C SER A 4 25.642 6.999 2.726 1.00 0.00 C ATOM 48 O SER A 4 25.251 6.322 3.655 1.00 0.00 O ATOM 49 CB SER A 4 27.445 5.369 2.082 1.00 0.00 C ATOM 50 OG SER A 4 27.383 4.950 0.725 1.00 0.00 O ATOM 0 H SER A 4 28.606 8.212 2.737 1.00 0.00 H new ATOM 0 HA SER A 4 27.078 7.333 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 4 28.450 5.216 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 4 26.769 4.768 2.691 1.00 0.00 H new ATOM 0 HG SER A 4 27.629 4.003 0.663 1.00 0.00 H new ATOM 56 N ARG A 5 24.869 7.887 2.161 1.00 0.00 N ATOM 57 CA ARG A 5 23.475 8.086 2.654 1.00 0.00 C ATOM 58 C ARG A 5 22.676 6.788 2.542 1.00 0.00 C ATOM 59 O ARG A 5 23.219 5.729 2.295 1.00 0.00 O ATOM 60 CB ARG A 5 22.874 9.155 1.742 1.00 0.00 C ATOM 61 CG ARG A 5 22.942 8.687 0.286 1.00 0.00 C ATOM 62 CD ARG A 5 24.116 9.369 -0.422 1.00 0.00 C ATOM 63 NE ARG A 5 24.976 8.252 -0.906 1.00 0.00 N ATOM 64 CZ ARG A 5 24.940 7.896 -2.161 1.00 0.00 C ATOM 65 NH1 ARG A 5 23.821 7.970 -2.828 1.00 0.00 N ATOM 66 NH2 ARG A 5 26.023 7.465 -2.748 1.00 0.00 N ATOM 0 H ARG A 5 25.142 8.483 1.380 1.00 0.00 H new ATOM 0 HA ARG A 5 23.456 8.383 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 5 21.839 9.348 2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 5 23.416 10.093 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 5 23.061 7.604 0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 5 22.009 8.924 -0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 5 23.771 9.989 -1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 5 24.663 10.021 0.259 1.00 0.00 H new ATOM 0 HE ARG A 5 25.593 7.765 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 5 22.975 8.306 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 5 23.793 7.692 -3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 5 26.897 7.406 -2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 5 25.995 7.187 -3.729 1.00 0.00 H new ATOM 80 N ASP A 6 21.387 6.864 2.731 1.00 0.00 N ATOM 81 CA ASP A 6 20.544 5.640 2.648 1.00 0.00 C ATOM 82 C ASP A 6 19.215 5.947 1.946 1.00 0.00 C ATOM 83 O ASP A 6 19.095 5.828 0.743 1.00 0.00 O ATOM 84 CB ASP A 6 20.294 5.218 4.101 1.00 0.00 C ATOM 85 CG ASP A 6 20.260 6.444 5.022 1.00 0.00 C ATOM 86 OD1 ASP A 6 19.619 7.416 4.659 1.00 0.00 O ATOM 87 OD2 ASP A 6 20.877 6.387 6.074 1.00 0.00 O ATOM 0 H ASP A 6 20.881 7.724 2.940 1.00 0.00 H new ATOM 0 HA ASP A 6 21.032 4.853 2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 6 19.350 4.678 4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 6 21.078 4.534 4.426 1.00 0.00 H new ATOM 92 N GLN A 7 18.212 6.331 2.692 1.00 0.00 N ATOM 93 CA GLN A 7 16.883 6.637 2.076 1.00 0.00 C ATOM 94 C GLN A 7 16.203 5.343 1.619 1.00 0.00 C ATOM 95 O GLN A 7 16.838 4.318 1.468 1.00 0.00 O ATOM 96 CB GLN A 7 17.182 7.541 0.878 1.00 0.00 C ATOM 97 CG GLN A 7 16.060 8.571 0.728 1.00 0.00 C ATOM 98 CD GLN A 7 16.379 9.516 -0.432 1.00 0.00 C ATOM 99 OE1 GLN A 7 16.811 9.083 -1.482 1.00 0.00 O ATOM 100 NE2 GLN A 7 16.182 10.798 -0.286 1.00 0.00 N ATOM 0 H GLN A 7 18.255 6.447 3.705 1.00 0.00 H new ATOM 0 HA GLN A 7 16.208 7.121 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 7 18.138 8.046 1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 7 17.267 6.944 -0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.111 8.066 0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.948 9.139 1.652 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.819 11.161 0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.391 11.437 -1.053 1.00 0.00 H new ATOM 109 N VAL A 8 14.914 5.379 1.404 1.00 0.00 N ATOM 110 CA VAL A 8 14.199 4.144 0.964 1.00 0.00 C ATOM 111 C VAL A 8 13.133 4.479 -0.085 1.00 0.00 C ATOM 112 O VAL A 8 12.075 4.980 0.236 1.00 0.00 O ATOM 113 CB VAL A 8 13.543 3.584 2.238 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.968 4.727 3.076 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.407 2.626 1.861 1.00 0.00 C ATOM 0 H VAL A 8 14.327 6.206 1.513 1.00 0.00 H new ATOM 0 HA VAL A 8 14.877 3.426 0.502 1.00 0.00 H new ATOM 0 HB VAL A 8 14.299 3.051 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.506 4.321 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.769 5.411 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.219 5.264 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.947 2.233 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.659 3.161 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.807 1.802 1.270 1.00 0.00 H new ATOM 125 N LYS A 9 13.391 4.184 -1.333 1.00 0.00 N ATOM 126 CA LYS A 9 12.371 4.463 -2.386 1.00 0.00 C ATOM 127 C LYS A 9 11.268 3.405 -2.302 1.00 0.00 C ATOM 128 O LYS A 9 11.443 2.376 -1.680 1.00 0.00 O ATOM 129 CB LYS A 9 13.110 4.350 -3.717 1.00 0.00 C ATOM 130 CG LYS A 9 14.068 5.527 -3.887 1.00 0.00 C ATOM 131 CD LYS A 9 14.084 5.954 -5.357 1.00 0.00 C ATOM 132 CE LYS A 9 14.929 7.217 -5.518 1.00 0.00 C ATOM 133 NZ LYS A 9 16.177 6.763 -6.195 1.00 0.00 N ATOM 0 H LYS A 9 14.259 3.764 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 9 11.910 5.444 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.664 3.412 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.394 4.332 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.755 6.360 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.071 5.244 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.490 5.152 -5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.067 6.139 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.408 7.967 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.147 7.672 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.809 7.576 -6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.655 6.054 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.939 6.341 -7.115 1.00 0.00 H new ATOM 147 N ALA A 10 10.136 3.630 -2.915 1.00 0.00 N ATOM 148 CA ALA A 10 9.056 2.594 -2.836 1.00 0.00 C ATOM 149 C ALA A 10 7.740 3.083 -3.446 1.00 0.00 C ATOM 150 O ALA A 10 7.540 4.258 -3.683 1.00 0.00 O ATOM 151 CB ALA A 10 8.859 2.340 -1.339 1.00 0.00 C ATOM 0 H ALA A 10 9.912 4.465 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 10 9.339 1.701 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.081 1.590 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.792 1.982 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.563 3.267 -0.848 1.00 0.00 H new ATOM 157 N SER A 11 6.831 2.169 -3.671 1.00 0.00 N ATOM 158 CA SER A 11 5.499 2.536 -4.232 1.00 0.00 C ATOM 159 C SER A 11 4.414 1.998 -3.299 1.00 0.00 C ATOM 160 O SER A 11 4.717 1.447 -2.259 1.00 0.00 O ATOM 161 CB SER A 11 5.424 1.847 -5.593 1.00 0.00 C ATOM 162 OG SER A 11 4.964 0.515 -5.416 1.00 0.00 O ATOM 0 H SER A 11 6.958 1.174 -3.487 1.00 0.00 H new ATOM 0 HA SER A 11 5.361 3.613 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.750 2.393 -6.254 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.405 1.846 -6.068 1.00 0.00 H new ATOM 0 HG SER A 11 4.225 0.339 -6.035 1.00 0.00 H new ATOM 168 N HIS A 12 3.157 2.134 -3.636 1.00 0.00 N ATOM 169 CA HIS A 12 2.122 1.599 -2.701 1.00 0.00 C ATOM 170 C HIS A 12 0.706 1.659 -3.284 1.00 0.00 C ATOM 171 O HIS A 12 0.421 2.394 -4.208 1.00 0.00 O ATOM 172 CB HIS A 12 2.221 2.492 -1.463 1.00 0.00 C ATOM 173 CG HIS A 12 1.630 3.844 -1.763 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.719 4.664 -2.861 1.00 0.00 N flip ATOM 175 CD2 HIS A 12 0.826 4.515 -0.854 1.00 0.00 C flip ATOM 176 CE1 HIS A 12 0.984 5.826 -2.639 1.00 0.00 C flip ATOM 177 NE2 HIS A 12 0.467 5.685 -1.415 1.00 0.00 N flip ATOM 0 H HIS A 12 2.810 2.576 -4.487 1.00 0.00 H new ATOM 0 HA HIS A 12 2.301 0.545 -2.489 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.694 2.031 -0.628 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.263 2.599 -1.162 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.244 4.454 -3.710 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.540 4.163 0.126 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.859 6.662 -3.312 1.00 0.00 H new ATOM 185 N ILE A 13 -0.182 0.885 -2.713 1.00 0.00 N ATOM 186 CA ILE A 13 -1.602 0.862 -3.168 1.00 0.00 C ATOM 187 C ILE A 13 -2.497 0.610 -1.942 1.00 0.00 C ATOM 188 O ILE A 13 -2.013 0.444 -0.840 1.00 0.00 O ATOM 189 CB ILE A 13 -1.679 -0.290 -4.197 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.890 0.303 -5.597 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.839 -1.248 -3.873 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.376 -0.788 -6.561 1.00 0.00 C ATOM 0 H ILE A 13 0.023 0.257 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.937 1.794 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.747 -0.854 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.619 1.112 -5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.958 0.734 -5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.868 -2.048 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.691 -1.677 -2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.781 -0.699 -3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.523 -0.359 -7.552 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.632 -1.582 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.319 -1.199 -6.200 1.00 0.00 H new ATOM 204 N LEU A 14 -3.788 0.575 -2.119 1.00 0.00 N ATOM 205 CA LEU A 14 -4.688 0.327 -0.952 1.00 0.00 C ATOM 206 C LEU A 14 -5.822 -0.617 -1.351 1.00 0.00 C ATOM 207 O LEU A 14 -6.202 -0.691 -2.499 1.00 0.00 O ATOM 208 CB LEU A 14 -5.250 1.700 -0.578 1.00 0.00 C ATOM 209 CG LEU A 14 -6.342 1.535 0.481 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.696 1.350 1.855 1.00 0.00 C ATOM 211 CD2 LEU A 14 -7.237 2.778 0.493 1.00 0.00 C ATOM 0 H LEU A 14 -4.259 0.706 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.159 -0.138 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.453 2.339 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.657 2.191 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.947 0.659 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.474 1.232 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.064 0.462 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.089 2.224 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.014 2.659 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.636 3.657 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.698 2.904 -0.487 1.00 0.00 H new ATOM 223 N ILE A 15 -6.371 -1.333 -0.410 1.00 0.00 N ATOM 224 CA ILE A 15 -7.487 -2.264 -0.739 1.00 0.00 C ATOM 225 C ILE A 15 -8.699 -1.965 0.151 1.00 0.00 C ATOM 226 O ILE A 15 -9.772 -2.501 -0.042 1.00 0.00 O ATOM 227 CB ILE A 15 -6.937 -3.661 -0.452 1.00 0.00 C ATOM 228 CG1 ILE A 15 -5.973 -4.068 -1.570 1.00 0.00 C ATOM 229 CG2 ILE A 15 -8.091 -4.662 -0.388 1.00 0.00 C ATOM 230 CD1 ILE A 15 -5.558 -5.529 -1.379 1.00 0.00 C ATOM 0 H ILE A 15 -6.096 -1.314 0.572 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.819 -2.166 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.409 -3.654 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.450 -3.938 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.093 -3.424 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.698 -5.658 -0.183 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.779 -4.373 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.620 -4.669 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.872 -5.819 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.064 -5.644 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.442 -6.166 -1.412 1.00 0.00 H new ATOM 242 N LYS A 16 -8.532 -1.114 1.128 1.00 0.00 N ATOM 243 CA LYS A 16 -9.669 -0.780 2.033 1.00 0.00 C ATOM 244 C LYS A 16 -10.107 -2.029 2.800 1.00 0.00 C ATOM 245 O LYS A 16 -9.804 -3.141 2.415 1.00 0.00 O ATOM 246 CB LYS A 16 -10.786 -0.285 1.112 1.00 0.00 C ATOM 247 CG LYS A 16 -11.136 1.162 1.469 1.00 0.00 C ATOM 248 CD LYS A 16 -12.154 1.709 0.466 1.00 0.00 C ATOM 249 CE LYS A 16 -11.429 2.178 -0.797 1.00 0.00 C ATOM 250 NZ LYS A 16 -11.721 1.137 -1.823 1.00 0.00 N ATOM 0 H LYS A 16 -7.656 -0.635 1.338 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.403 -0.028 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.469 -0.348 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.666 -0.920 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.544 1.209 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.236 1.777 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.882 0.938 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.707 2.537 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.787 3.157 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.357 2.271 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.893 1.017 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.934 0.235 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.539 1.432 -2.393 1.00 0.00 H new ATOM 264 N HIS A 17 -10.811 -1.858 3.885 1.00 0.00 N ATOM 265 CA HIS A 17 -11.256 -3.041 4.676 1.00 0.00 C ATOM 266 C HIS A 17 -12.110 -2.594 5.865 1.00 0.00 C ATOM 267 O HIS A 17 -12.878 -1.657 5.772 1.00 0.00 O ATOM 268 CB HIS A 17 -9.960 -3.694 5.160 1.00 0.00 C ATOM 269 CG HIS A 17 -9.298 -2.810 6.182 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.685 -1.494 6.388 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.275 -3.042 7.065 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.905 -0.991 7.362 1.00 0.00 C ATOM 273 NE2 HIS A 17 -8.027 -1.892 7.809 1.00 0.00 N ATOM 0 H HIS A 17 -11.097 -0.953 4.258 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.868 -3.727 4.090 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.174 -4.671 5.594 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.288 -3.859 4.318 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.742 -3.976 7.168 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.980 0.019 7.737 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.326 -1.765 8.539 1.00 0.00 H new ATOM 281 N GLN A 18 -11.980 -3.253 6.982 1.00 0.00 N ATOM 282 CA GLN A 18 -12.782 -2.860 8.175 1.00 0.00 C ATOM 283 C GLN A 18 -11.895 -2.136 9.189 1.00 0.00 C ATOM 284 O GLN A 18 -11.343 -2.737 10.089 1.00 0.00 O ATOM 285 CB GLN A 18 -13.302 -4.173 8.758 1.00 0.00 C ATOM 286 CG GLN A 18 -14.767 -4.364 8.361 1.00 0.00 C ATOM 287 CD GLN A 18 -15.674 -3.932 9.517 1.00 0.00 C ATOM 288 OE1 GLN A 18 -15.395 -4.320 10.732 1.00 0.00 O flip ATOM 289 NE2 GLN A 18 -16.648 -3.235 9.311 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.354 -4.046 7.121 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.595 -2.181 7.920 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.704 -5.008 8.393 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.207 -4.164 9.844 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.992 -3.777 7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.953 -5.408 8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.866 -2.932 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.247 -2.953 10.087 1.00 0.00 H new ATOM 298 N GLY A 19 -11.756 -0.847 9.049 1.00 0.00 N ATOM 299 CA GLY A 19 -10.909 -0.080 10.002 1.00 0.00 C ATOM 300 C GLY A 19 -11.772 0.962 10.713 1.00 0.00 C ATOM 301 O GLY A 19 -11.387 2.105 10.863 1.00 0.00 O ATOM 0 H GLY A 19 -12.194 -0.291 8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.458 -0.754 10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.092 0.408 9.470 1.00 0.00 H new ATOM 305 N SER A 20 -12.943 0.579 11.146 1.00 0.00 N ATOM 306 CA SER A 20 -13.834 1.551 11.840 1.00 0.00 C ATOM 307 C SER A 20 -13.967 2.824 11.000 1.00 0.00 C ATOM 308 O SER A 20 -13.412 3.854 11.326 1.00 0.00 O ATOM 309 CB SER A 20 -13.137 1.850 13.167 1.00 0.00 C ATOM 310 OG SER A 20 -14.114 2.192 14.141 1.00 0.00 O ATOM 0 H SER A 20 -13.320 -0.364 11.049 1.00 0.00 H new ATOM 0 HA SER A 20 -14.840 1.161 11.992 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.567 0.981 13.496 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.428 2.668 13.043 1.00 0.00 H new ATOM 0 HG SER A 20 -13.672 2.383 14.995 1.00 0.00 H new ATOM 316 N ARG A 21 -14.694 2.758 9.918 1.00 0.00 N ATOM 317 CA ARG A 21 -14.854 3.964 9.054 1.00 0.00 C ATOM 318 C ARG A 21 -16.273 4.030 8.484 1.00 0.00 C ATOM 319 O ARG A 21 -17.129 3.238 8.826 1.00 0.00 O ATOM 320 CB ARG A 21 -13.839 3.775 7.928 1.00 0.00 C ATOM 321 CG ARG A 21 -12.646 4.704 8.156 1.00 0.00 C ATOM 322 CD ARG A 21 -12.078 5.149 6.806 1.00 0.00 C ATOM 323 NE ARG A 21 -10.636 5.412 7.067 1.00 0.00 N ATOM 324 CZ ARG A 21 -10.284 6.423 7.812 1.00 0.00 C ATOM 325 NH1 ARG A 21 -10.980 7.527 7.784 1.00 0.00 N ATOM 326 NH2 ARG A 21 -9.239 6.331 8.588 1.00 0.00 N ATOM 0 H ARG A 21 -15.183 1.923 9.595 1.00 0.00 H new ATOM 0 HA ARG A 21 -14.692 4.890 9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.505 2.738 7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.303 3.991 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.955 5.573 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.878 4.191 8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.208 4.376 6.048 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.583 6.043 6.440 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.924 4.802 6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.799 7.599 7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.705 8.318 8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.696 5.468 8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.965 7.122 9.170 1.00 0.00 H new ATOM 340 N ARG A 22 -16.527 4.972 7.616 1.00 0.00 N ATOM 341 CA ARG A 22 -17.889 5.093 7.020 1.00 0.00 C ATOM 342 C ARG A 22 -17.796 5.136 5.492 1.00 0.00 C ATOM 343 O ARG A 22 -18.780 5.326 4.806 1.00 0.00 O ATOM 344 CB ARG A 22 -18.439 6.413 7.558 1.00 0.00 C ATOM 345 CG ARG A 22 -18.797 6.254 9.036 1.00 0.00 C ATOM 346 CD ARG A 22 -20.307 6.419 9.216 1.00 0.00 C ATOM 347 NE ARG A 22 -20.515 7.883 9.383 1.00 0.00 N ATOM 348 CZ ARG A 22 -20.708 8.381 10.574 1.00 0.00 C ATOM 349 NH1 ARG A 22 -21.426 7.727 11.445 1.00 0.00 N ATOM 350 NH2 ARG A 22 -20.185 9.533 10.892 1.00 0.00 N ATOM 0 H ARG A 22 -15.850 5.663 7.294 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.528 4.248 7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.699 7.204 7.436 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.320 6.710 6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.482 5.274 9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.266 6.996 9.632 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -20.852 6.039 8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -20.664 5.867 10.086 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.507 8.496 8.568 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.836 6.827 11.195 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.577 8.116 12.376 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.625 10.045 10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.336 9.922 11.823 1.00 0.00 H new ATOM 364 N LYS A 23 -16.619 4.963 4.955 1.00 0.00 N ATOM 365 CA LYS A 23 -16.464 4.997 3.473 1.00 0.00 C ATOM 366 C LYS A 23 -17.038 6.301 2.914 1.00 0.00 C ATOM 367 O LYS A 23 -17.867 6.297 2.026 1.00 0.00 O ATOM 368 CB LYS A 23 -17.259 3.795 2.963 1.00 0.00 C ATOM 369 CG LYS A 23 -16.734 2.522 3.629 1.00 0.00 C ATOM 370 CD LYS A 23 -17.264 1.298 2.881 1.00 0.00 C ATOM 371 CE LYS A 23 -17.758 0.259 3.891 1.00 0.00 C ATOM 372 NZ LYS A 23 -19.081 0.766 4.356 1.00 0.00 N ATOM 0 H LYS A 23 -15.759 4.800 5.478 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.420 4.952 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.318 3.925 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.167 3.717 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.644 2.520 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.049 2.488 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.076 1.589 2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.478 0.871 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.853 -0.724 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.061 0.156 4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.097 0.792 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.236 1.724 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.834 0.136 4.014 1.00 0.00 H new ATOM 386 N ALA A 24 -16.603 7.418 3.430 1.00 0.00 N ATOM 387 CA ALA A 24 -17.122 8.724 2.931 1.00 0.00 C ATOM 388 C ALA A 24 -15.991 9.754 2.872 1.00 0.00 C ATOM 389 O ALA A 24 -15.775 10.508 3.801 1.00 0.00 O ATOM 390 CB ALA A 24 -18.179 9.146 3.952 1.00 0.00 C ATOM 0 H ALA A 24 -15.910 7.483 4.176 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.535 8.648 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.610 10.102 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -18.964 8.391 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.717 9.246 4.934 1.00 0.00 H new ATOM 396 N SER A 25 -15.267 9.794 1.787 1.00 0.00 N ATOM 397 CA SER A 25 -14.151 10.776 1.668 1.00 0.00 C ATOM 398 C SER A 25 -14.021 11.248 0.217 1.00 0.00 C ATOM 399 O SER A 25 -13.016 11.031 -0.430 1.00 0.00 O ATOM 400 CB SER A 25 -12.901 10.009 2.099 1.00 0.00 C ATOM 401 OG SER A 25 -12.051 10.875 2.840 1.00 0.00 O ATOM 0 H SER A 25 -15.400 9.189 0.977 1.00 0.00 H new ATOM 0 HA SER A 25 -14.312 11.664 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.180 9.148 2.706 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.376 9.626 1.224 1.00 0.00 H new ATOM 0 HG SER A 25 -11.249 10.386 3.119 1.00 0.00 H new ATOM 407 N TRP A 26 -15.034 11.889 -0.298 1.00 0.00 N ATOM 408 CA TRP A 26 -14.973 12.371 -1.707 1.00 0.00 C ATOM 409 C TRP A 26 -16.225 13.189 -2.037 1.00 0.00 C ATOM 410 O TRP A 26 -16.897 13.694 -1.161 1.00 0.00 O ATOM 411 CB TRP A 26 -14.931 11.100 -2.556 1.00 0.00 C ATOM 412 CG TRP A 26 -13.581 10.958 -3.183 1.00 0.00 C ATOM 413 CD1 TRP A 26 -12.889 9.799 -3.281 1.00 0.00 C ATOM 414 CD2 TRP A 26 -12.749 11.984 -3.799 1.00 0.00 C ATOM 415 NE1 TRP A 26 -11.687 10.049 -3.918 1.00 0.00 N ATOM 416 CE2 TRP A 26 -11.554 11.380 -4.256 1.00 0.00 C ATOM 417 CE3 TRP A 26 -12.914 13.365 -4.003 1.00 0.00 C ATOM 418 CZ2 TRP A 26 -10.558 12.120 -4.895 1.00 0.00 C ATOM 419 CZ3 TRP A 26 -11.914 14.113 -4.645 1.00 0.00 C ATOM 420 CH2 TRP A 26 -10.738 13.492 -5.090 1.00 0.00 C ATOM 0 H TRP A 26 -15.901 12.100 0.196 1.00 0.00 H new ATOM 0 HA TRP A 26 -14.112 13.014 -1.888 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -15.148 10.230 -1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -15.699 11.141 -3.328 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -13.221 8.836 -2.921 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -10.984 9.336 -4.114 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -13.815 13.854 -3.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -9.655 11.636 -5.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.051 15.173 -4.797 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -9.973 14.073 -5.583 1.00 0.00 H new ATOM 431 N LYS A 27 -16.544 13.314 -3.295 1.00 0.00 N ATOM 432 CA LYS A 27 -17.757 14.089 -3.686 1.00 0.00 C ATOM 433 C LYS A 27 -18.560 13.298 -4.720 1.00 0.00 C ATOM 434 O LYS A 27 -18.624 13.654 -5.879 1.00 0.00 O ATOM 435 CB LYS A 27 -17.222 15.386 -4.293 1.00 0.00 C ATOM 436 CG LYS A 27 -16.169 15.058 -5.352 1.00 0.00 C ATOM 437 CD LYS A 27 -16.045 16.229 -6.329 1.00 0.00 C ATOM 438 CE LYS A 27 -17.034 16.042 -7.483 1.00 0.00 C ATOM 439 NZ LYS A 27 -16.185 15.755 -8.672 1.00 0.00 N ATOM 0 H LYS A 27 -16.017 12.913 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 27 -18.420 14.285 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -18.038 15.954 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -16.787 16.012 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -15.208 14.864 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -16.448 14.151 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -16.245 17.168 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.027 16.288 -6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -17.724 15.222 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -17.638 16.937 -7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.791 15.614 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.543 16.556 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.627 14.894 -8.501 1.00 0.00 H new ATOM 453 N ASP A 28 -19.166 12.218 -4.305 1.00 0.00 N ATOM 454 CA ASP A 28 -19.959 11.388 -5.256 1.00 0.00 C ATOM 455 C ASP A 28 -20.369 10.070 -4.590 1.00 0.00 C ATOM 456 O ASP A 28 -21.537 9.739 -4.540 1.00 0.00 O ATOM 457 CB ASP A 28 -19.017 11.121 -6.432 1.00 0.00 C ATOM 458 CG ASP A 28 -19.597 11.738 -7.707 1.00 0.00 C ATOM 459 OD1 ASP A 28 -20.739 12.166 -7.670 1.00 0.00 O ATOM 460 OD2 ASP A 28 -18.889 11.772 -8.700 1.00 0.00 O ATOM 0 H ASP A 28 -19.146 11.874 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 28 -20.876 11.886 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.034 11.544 -6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.881 10.048 -6.565 1.00 0.00 H new ATOM 465 N PRO A 29 -19.389 9.357 -4.096 1.00 0.00 N ATOM 466 CA PRO A 29 -19.656 8.060 -3.424 1.00 0.00 C ATOM 467 C PRO A 29 -20.367 8.286 -2.087 1.00 0.00 C ATOM 468 O PRO A 29 -19.776 8.173 -1.031 1.00 0.00 O ATOM 469 CB PRO A 29 -18.263 7.472 -3.212 1.00 0.00 C ATOM 470 CG PRO A 29 -17.348 8.653 -3.198 1.00 0.00 C ATOM 471 CD PRO A 29 -17.957 9.682 -4.113 1.00 0.00 C ATOM 0 HA PRO A 29 -20.305 7.403 -4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -18.206 6.917 -2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -18.001 6.778 -4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -17.241 9.048 -2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -16.351 8.374 -3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -17.772 10.695 -3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.544 9.618 -5.119 1.00 0.00 H new ATOM 479 N GLU A 30 -21.631 8.604 -2.127 1.00 0.00 N ATOM 480 CA GLU A 30 -22.386 8.838 -0.862 1.00 0.00 C ATOM 481 C GLU A 30 -22.077 7.735 0.154 1.00 0.00 C ATOM 482 O GLU A 30 -21.763 8.001 1.298 1.00 0.00 O ATOM 483 CB GLU A 30 -23.858 8.793 -1.270 1.00 0.00 C ATOM 484 CG GLU A 30 -24.737 9.040 -0.044 1.00 0.00 C ATOM 485 CD GLU A 30 -25.909 9.942 -0.434 1.00 0.00 C ATOM 486 OE1 GLU A 30 -26.805 9.459 -1.106 1.00 0.00 O ATOM 487 OE2 GLU A 30 -25.890 11.101 -0.053 1.00 0.00 O ATOM 0 H GLU A 30 -22.176 8.712 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 30 -22.120 9.784 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -24.058 9.547 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -24.094 7.824 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -25.107 8.093 0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -24.152 9.507 0.749 1.00 0.00 H new ATOM 494 N GLY A 31 -22.168 6.499 -0.253 1.00 0.00 N ATOM 495 CA GLY A 31 -21.884 5.379 0.689 1.00 0.00 C ATOM 496 C GLY A 31 -23.041 4.380 0.654 1.00 0.00 C ATOM 497 O GLY A 31 -24.012 4.564 -0.052 1.00 0.00 O ATOM 0 H GLY A 31 -22.427 6.216 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -20.953 4.884 0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -21.752 5.764 1.700 1.00 0.00 H new ATOM 501 N LYS A 32 -22.946 3.321 1.410 1.00 0.00 N ATOM 502 CA LYS A 32 -24.044 2.313 1.417 1.00 0.00 C ATOM 503 C LYS A 32 -24.222 1.735 2.823 1.00 0.00 C ATOM 504 O LYS A 32 -23.829 2.333 3.805 1.00 0.00 O ATOM 505 CB LYS A 32 -23.591 1.226 0.441 1.00 0.00 C ATOM 506 CG LYS A 32 -24.779 0.782 -0.414 1.00 0.00 C ATOM 507 CD LYS A 32 -24.504 1.108 -1.883 1.00 0.00 C ATOM 508 CE LYS A 32 -25.318 0.168 -2.776 1.00 0.00 C ATOM 509 NZ LYS A 32 -26.102 1.067 -3.667 1.00 0.00 N ATOM 0 H LYS A 32 -22.158 3.110 2.022 1.00 0.00 H new ATOM 0 HA LYS A 32 -25.003 2.744 1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.792 1.604 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -23.186 0.376 0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -24.947 -0.288 -0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -25.687 1.286 -0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.768 2.145 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.441 1.000 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.668 -0.490 -3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.973 -0.470 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -26.686 0.495 -4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -26.716 1.677 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.452 1.658 -4.224 1.00 0.00 H new ATOM 523 N ILE A 33 -24.814 0.577 2.927 1.00 0.00 N ATOM 524 CA ILE A 33 -25.021 -0.039 4.269 1.00 0.00 C ATOM 525 C ILE A 33 -24.631 -1.519 4.238 1.00 0.00 C ATOM 526 O ILE A 33 -24.958 -2.276 5.130 1.00 0.00 O ATOM 527 CB ILE A 33 -26.516 0.116 4.547 1.00 0.00 C ATOM 528 CG1 ILE A 33 -26.805 -0.246 6.006 1.00 0.00 C ATOM 529 CG2 ILE A 33 -27.304 -0.815 3.625 1.00 0.00 C ATOM 530 CD1 ILE A 33 -27.454 0.947 6.710 1.00 0.00 C ATOM 0 H ILE A 33 -25.164 0.030 2.140 1.00 0.00 H new ATOM 0 HA ILE A 33 -24.411 0.433 5.039 1.00 0.00 H new ATOM 0 HB ILE A 33 -26.815 1.148 4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -27.465 -1.112 6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -25.880 -0.522 6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -28.370 -0.705 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -27.099 -0.557 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -27.005 -1.847 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -27.660 0.689 7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -26.778 1.802 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -28.387 1.202 6.208 1.00 0.00 H new ATOM 542 N ILE A 34 -23.935 -1.939 3.216 1.00 0.00 N ATOM 543 CA ILE A 34 -23.528 -3.372 3.130 1.00 0.00 C ATOM 544 C ILE A 34 -22.165 -3.577 3.796 1.00 0.00 C ATOM 545 O ILE A 34 -21.807 -2.883 4.727 1.00 0.00 O ATOM 546 CB ILE A 34 -23.446 -3.671 1.632 1.00 0.00 C ATOM 547 CG1 ILE A 34 -22.320 -2.845 1.006 1.00 0.00 C ATOM 548 CG2 ILE A 34 -24.774 -3.305 0.967 1.00 0.00 C ATOM 549 CD1 ILE A 34 -21.561 -3.701 -0.010 1.00 0.00 C ATOM 0 H ILE A 34 -23.631 -1.353 2.438 1.00 0.00 H new ATOM 0 HA ILE A 34 -24.230 -4.032 3.639 1.00 0.00 H new ATOM 0 HB ILE A 34 -23.243 -4.732 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -22.731 -1.962 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.639 -2.493 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -24.717 -3.518 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -25.578 -3.892 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -24.975 -2.244 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -20.759 -3.112 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.137 -4.571 0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -22.246 -4.031 -0.791 1.00 0.00 H new ATOM 561 N LEU A 35 -21.403 -4.527 3.328 1.00 0.00 N ATOM 562 CA LEU A 35 -20.065 -4.777 3.936 1.00 0.00 C ATOM 563 C LEU A 35 -19.114 -5.378 2.897 1.00 0.00 C ATOM 564 O LEU A 35 -19.449 -6.321 2.207 1.00 0.00 O ATOM 565 CB LEU A 35 -20.327 -5.772 5.067 1.00 0.00 C ATOM 566 CG LEU A 35 -19.636 -5.292 6.343 1.00 0.00 C ATOM 567 CD1 LEU A 35 -20.356 -5.869 7.563 1.00 0.00 C ATOM 568 CD2 LEU A 35 -18.179 -5.762 6.340 1.00 0.00 C ATOM 0 H LEU A 35 -21.649 -5.141 2.551 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.597 -3.862 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.399 -5.870 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.956 -6.759 4.790 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.668 -4.203 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.863 -5.526 8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -21.393 -5.535 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.326 -6.958 7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.685 -5.420 7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -18.148 -6.851 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -17.666 -5.350 5.471 1.00 0.00 H new ATOM 580 N THR A 36 -17.931 -4.841 2.782 1.00 0.00 N ATOM 581 CA THR A 36 -16.959 -5.382 1.789 1.00 0.00 C ATOM 582 C THR A 36 -15.728 -5.944 2.507 1.00 0.00 C ATOM 583 O THR A 36 -15.833 -6.555 3.552 1.00 0.00 O ATOM 584 CB THR A 36 -16.573 -4.185 0.919 1.00 0.00 C ATOM 585 OG1 THR A 36 -15.792 -4.634 -0.180 1.00 0.00 O ATOM 586 CG2 THR A 36 -15.765 -3.188 1.751 1.00 0.00 C ATOM 0 H THR A 36 -17.595 -4.051 3.332 1.00 0.00 H new ATOM 0 HA THR A 36 -17.381 -6.195 1.198 1.00 0.00 H new ATOM 0 HB THR A 36 -17.474 -3.697 0.548 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.039 -4.022 -0.317 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.490 -2.335 1.131 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.366 -2.845 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.862 -3.672 2.123 1.00 0.00 H new ATOM 594 N THR A 37 -14.562 -5.741 1.956 1.00 0.00 N ATOM 595 CA THR A 37 -13.327 -6.265 2.610 1.00 0.00 C ATOM 596 C THR A 37 -13.344 -5.944 4.106 1.00 0.00 C ATOM 597 O THR A 37 -13.623 -4.833 4.510 1.00 0.00 O ATOM 598 CB THR A 37 -12.171 -5.537 1.923 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.069 -5.977 0.576 1.00 0.00 O ATOM 600 CG2 THR A 37 -10.865 -5.839 2.662 1.00 0.00 C ATOM 0 H THR A 37 -14.410 -5.236 1.083 1.00 0.00 H new ATOM 0 HA THR A 37 -13.241 -7.347 2.516 1.00 0.00 H new ATOM 0 HB THR A 37 -12.356 -4.463 1.941 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.329 -5.510 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.041 -5.320 2.172 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.945 -5.500 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.678 -6.913 2.646 1.00 0.00 H new ATOM 608 N THR A 38 -13.044 -6.907 4.932 1.00 0.00 N ATOM 609 CA THR A 38 -13.040 -6.652 6.401 1.00 0.00 C ATOM 610 C THR A 38 -11.635 -6.870 6.968 1.00 0.00 C ATOM 611 O THR A 38 -10.681 -7.035 6.234 1.00 0.00 O ATOM 612 CB THR A 38 -14.024 -7.669 6.982 1.00 0.00 C ATOM 613 OG1 THR A 38 -13.509 -8.981 6.802 1.00 0.00 O ATOM 614 CG2 THR A 38 -15.370 -7.543 6.265 1.00 0.00 C ATOM 0 H THR A 38 -12.802 -7.858 4.655 1.00 0.00 H new ATOM 0 HA THR A 38 -13.324 -5.629 6.647 1.00 0.00 H new ATOM 0 HB THR A 38 -14.162 -7.477 8.046 1.00 0.00 H new ATOM 0 HG1 THR A 38 -14.138 -9.633 7.175 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.072 -8.267 6.678 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.764 -6.536 6.404 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.235 -7.736 5.201 1.00 0.00 H new ATOM 622 N ARG A 39 -11.497 -6.874 8.267 1.00 0.00 N ATOM 623 CA ARG A 39 -10.148 -7.083 8.865 1.00 0.00 C ATOM 624 C ARG A 39 -9.527 -8.361 8.302 1.00 0.00 C ATOM 625 O ARG A 39 -8.557 -8.326 7.571 1.00 0.00 O ATOM 626 CB ARG A 39 -10.390 -7.218 10.369 1.00 0.00 C ATOM 627 CG ARG A 39 -9.134 -6.787 11.130 1.00 0.00 C ATOM 628 CD ARG A 39 -8.316 -8.024 11.510 1.00 0.00 C ATOM 629 NE ARG A 39 -7.011 -7.490 11.992 1.00 0.00 N ATOM 630 CZ ARG A 39 -6.042 -7.271 11.145 1.00 0.00 C ATOM 631 NH1 ARG A 39 -6.298 -7.176 9.869 1.00 0.00 N ATOM 632 NH2 ARG A 39 -4.815 -7.147 11.575 1.00 0.00 N ATOM 0 H ARG A 39 -12.256 -6.742 8.936 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.463 -6.265 8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.238 -6.602 10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.642 -8.249 10.616 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.535 -6.117 10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.412 -6.232 12.026 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.816 -8.605 12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.180 -8.685 10.654 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.875 -7.296 12.984 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.256 -7.273 9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.540 -7.005 9.208 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.614 -7.221 12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.058 -6.976 10.914 1.00 0.00 H new ATOM 646 N GLU A 40 -10.089 -9.487 8.630 1.00 0.00 N ATOM 647 CA GLU A 40 -9.544 -10.771 8.108 1.00 0.00 C ATOM 648 C GLU A 40 -9.398 -10.689 6.589 1.00 0.00 C ATOM 649 O GLU A 40 -8.313 -10.784 6.050 1.00 0.00 O ATOM 650 CB GLU A 40 -10.583 -11.824 8.487 1.00 0.00 C ATOM 651 CG GLU A 40 -10.105 -13.202 8.027 1.00 0.00 C ATOM 652 CD GLU A 40 -11.046 -14.279 8.570 1.00 0.00 C ATOM 653 OE1 GLU A 40 -12.127 -14.424 8.023 1.00 0.00 O ATOM 654 OE2 GLU A 40 -10.670 -14.940 9.524 1.00 0.00 O ATOM 0 H GLU A 40 -10.903 -9.576 9.238 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.561 -11.005 8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.740 -11.823 9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.541 -11.587 8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.078 -13.244 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.089 -13.382 8.378 1.00 0.00 H new ATOM 661 N ALA A 41 -10.488 -10.510 5.897 1.00 0.00 N ATOM 662 CA ALA A 41 -10.420 -10.417 4.411 1.00 0.00 C ATOM 663 C ALA A 41 -9.251 -9.525 3.994 1.00 0.00 C ATOM 664 O ALA A 41 -8.432 -9.898 3.180 1.00 0.00 O ATOM 665 CB ALA A 41 -11.751 -9.792 3.990 1.00 0.00 C ATOM 0 H ALA A 41 -11.423 -10.424 6.295 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.262 -11.388 3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.778 -9.690 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.572 -10.431 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.853 -8.809 4.449 1.00 0.00 H new ATOM 671 N ALA A 42 -9.165 -8.350 4.550 1.00 0.00 N ATOM 672 CA ALA A 42 -8.044 -7.435 4.188 1.00 0.00 C ATOM 673 C ALA A 42 -6.732 -8.215 4.126 1.00 0.00 C ATOM 674 O ALA A 42 -6.186 -8.445 3.065 1.00 0.00 O ATOM 675 CB ALA A 42 -7.997 -6.394 5.307 1.00 0.00 C ATOM 0 H ALA A 42 -9.821 -7.982 5.239 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.188 -6.972 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.194 -5.684 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.948 -5.863 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.815 -6.892 6.260 1.00 0.00 H new ATOM 681 N VAL A 43 -6.226 -8.632 5.251 1.00 0.00 N ATOM 682 CA VAL A 43 -4.954 -9.407 5.243 1.00 0.00 C ATOM 683 C VAL A 43 -5.083 -10.564 4.253 1.00 0.00 C ATOM 684 O VAL A 43 -4.124 -10.974 3.629 1.00 0.00 O ATOM 685 CB VAL A 43 -4.781 -9.930 6.671 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.469 -10.709 6.773 1.00 0.00 C ATOM 687 CG2 VAL A 43 -4.750 -8.754 7.652 1.00 0.00 C ATOM 0 H VAL A 43 -6.635 -8.471 6.172 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.096 -8.806 4.941 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.616 -10.585 6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.345 -11.082 7.790 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.490 -11.549 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.636 -10.052 6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.627 -9.130 8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.917 -8.096 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.685 -8.197 7.582 1.00 0.00 H new ATOM 697 N GLU A 44 -6.272 -11.078 4.091 1.00 0.00 N ATOM 698 CA GLU A 44 -6.474 -12.192 3.124 1.00 0.00 C ATOM 699 C GLU A 44 -6.245 -11.666 1.710 1.00 0.00 C ATOM 700 O GLU A 44 -5.475 -12.213 0.946 1.00 0.00 O ATOM 701 CB GLU A 44 -7.928 -12.630 3.312 1.00 0.00 C ATOM 702 CG GLU A 44 -7.976 -14.127 3.621 1.00 0.00 C ATOM 703 CD GLU A 44 -9.387 -14.511 4.071 1.00 0.00 C ATOM 704 OE1 GLU A 44 -10.215 -13.622 4.176 1.00 0.00 O ATOM 705 OE2 GLU A 44 -9.614 -15.687 4.304 1.00 0.00 O ATOM 0 H GLU A 44 -7.111 -10.775 4.586 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.788 -13.024 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.386 -12.066 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.503 -12.416 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.696 -14.701 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.255 -14.371 4.401 1.00 0.00 H new ATOM 712 N GLN A 45 -6.895 -10.589 1.368 1.00 0.00 N ATOM 713 CA GLN A 45 -6.702 -10.000 0.014 1.00 0.00 C ATOM 714 C GLN A 45 -5.250 -9.552 -0.124 1.00 0.00 C ATOM 715 O GLN A 45 -4.642 -9.677 -1.168 1.00 0.00 O ATOM 716 CB GLN A 45 -7.650 -8.801 -0.039 1.00 0.00 C ATOM 717 CG GLN A 45 -8.410 -8.809 -1.367 1.00 0.00 C ATOM 718 CD GLN A 45 -7.628 -8.010 -2.411 1.00 0.00 C ATOM 719 OE1 GLN A 45 -7.943 -6.763 -2.632 1.00 0.00 O flip ATOM 720 NE2 GLN A 45 -6.721 -8.526 -3.034 1.00 0.00 N flip ATOM 0 H GLN A 45 -7.552 -10.091 1.968 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.910 -10.702 -0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.352 -8.842 0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.087 -7.874 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.552 -9.834 -1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.402 -8.378 -1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.474 -9.501 -2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.207 -7.984 -3.729 1.00 0.00 H new ATOM 729 N LEU A 46 -4.685 -9.052 0.940 1.00 0.00 N ATOM 730 CA LEU A 46 -3.263 -8.617 0.898 1.00 0.00 C ATOM 731 C LEU A 46 -2.378 -9.847 0.696 1.00 0.00 C ATOM 732 O LEU A 46 -1.232 -9.755 0.302 1.00 0.00 O ATOM 733 CB LEU A 46 -3.005 -7.981 2.264 1.00 0.00 C ATOM 734 CG LEU A 46 -2.451 -6.570 2.075 1.00 0.00 C ATOM 735 CD1 LEU A 46 -1.171 -6.631 1.241 1.00 0.00 C ATOM 736 CD2 LEU A 46 -3.489 -5.711 1.349 1.00 0.00 C ATOM 0 H LEU A 46 -5.150 -8.926 1.839 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.050 -7.919 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.929 -7.946 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.299 -8.587 2.831 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.230 -6.133 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.776 -5.624 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.431 -7.245 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.392 -7.067 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.096 -4.703 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.708 -6.150 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.403 -5.667 1.941 1.00 0.00 H new ATOM 748 N LYS A 47 -2.918 -11.004 0.957 1.00 0.00 N ATOM 749 CA LYS A 47 -2.135 -12.254 0.777 1.00 0.00 C ATOM 750 C LYS A 47 -2.081 -12.608 -0.710 1.00 0.00 C ATOM 751 O LYS A 47 -1.042 -12.935 -1.251 1.00 0.00 O ATOM 752 CB LYS A 47 -2.914 -13.315 1.558 1.00 0.00 C ATOM 753 CG LYS A 47 -1.940 -14.214 2.321 1.00 0.00 C ATOM 754 CD LYS A 47 -2.691 -14.951 3.433 1.00 0.00 C ATOM 755 CE LYS A 47 -2.657 -14.115 4.714 1.00 0.00 C ATOM 756 NZ LYS A 47 -1.647 -14.782 5.582 1.00 0.00 N ATOM 0 H LYS A 47 -3.873 -11.137 1.289 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.106 -12.168 1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.602 -12.835 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.517 -13.913 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.481 -14.931 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.134 -13.616 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.723 -15.132 3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.235 -15.925 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.377 -13.083 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.635 -14.089 5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.567 -14.266 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.943 -15.761 5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.725 -14.786 5.102 1.00 0.00 H new ATOM 770 N SER A 48 -3.201 -12.536 -1.372 1.00 0.00 N ATOM 771 CA SER A 48 -3.236 -12.860 -2.826 1.00 0.00 C ATOM 772 C SER A 48 -2.761 -11.661 -3.650 1.00 0.00 C ATOM 773 O SER A 48 -2.319 -11.810 -4.770 1.00 0.00 O ATOM 774 CB SER A 48 -4.702 -13.171 -3.127 1.00 0.00 C ATOM 775 OG SER A 48 -5.478 -11.996 -2.937 1.00 0.00 O ATOM 0 H SER A 48 -4.098 -12.266 -0.968 1.00 0.00 H new ATOM 0 HA SER A 48 -2.582 -13.695 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.807 -13.529 -4.151 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.059 -13.967 -2.473 1.00 0.00 H new ATOM 0 HG SER A 48 -6.419 -12.190 -3.130 1.00 0.00 H new ATOM 781 N ILE A 49 -2.839 -10.474 -3.111 1.00 0.00 N ATOM 782 CA ILE A 49 -2.376 -9.290 -3.890 1.00 0.00 C ATOM 783 C ILE A 49 -0.863 -9.370 -4.079 1.00 0.00 C ATOM 784 O ILE A 49 -0.354 -9.220 -5.172 1.00 0.00 O ATOM 785 CB ILE A 49 -2.787 -8.060 -3.067 1.00 0.00 C ATOM 786 CG1 ILE A 49 -2.947 -6.858 -4.000 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.726 -7.739 -2.012 1.00 0.00 C ATOM 788 CD1 ILE A 49 -1.663 -6.658 -4.808 1.00 0.00 C ATOM 0 H ILE A 49 -3.198 -10.274 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.816 -9.241 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.730 -8.274 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.790 -7.017 -4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.166 -5.962 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.035 -6.865 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.611 -8.590 -1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.775 -7.533 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.780 -5.801 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.830 -6.479 -4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.463 -7.551 -5.400 1.00 0.00 H new ATOM 800 N ARG A 50 -0.140 -9.633 -3.028 1.00 0.00 N ATOM 801 CA ARG A 50 1.337 -9.755 -3.167 1.00 0.00 C ATOM 802 C ARG A 50 1.640 -11.000 -4.000 1.00 0.00 C ATOM 803 O ARG A 50 2.607 -11.058 -4.734 1.00 0.00 O ATOM 804 CB ARG A 50 1.873 -9.901 -1.742 1.00 0.00 C ATOM 805 CG ARG A 50 1.191 -11.085 -1.054 1.00 0.00 C ATOM 806 CD ARG A 50 2.115 -12.303 -1.101 1.00 0.00 C ATOM 807 NE ARG A 50 3.045 -12.122 0.047 1.00 0.00 N ATOM 808 CZ ARG A 50 3.268 -13.110 0.870 1.00 0.00 C ATOM 809 NH1 ARG A 50 3.133 -14.343 0.461 1.00 0.00 N ATOM 810 NH2 ARG A 50 3.623 -12.866 2.101 1.00 0.00 N ATOM 0 H ARG A 50 -0.504 -9.768 -2.085 1.00 0.00 H new ATOM 0 HA ARG A 50 1.795 -8.899 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.952 -10.052 -1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.690 -8.986 -1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.957 -10.833 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.247 -11.312 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.551 -13.231 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.657 -12.351 -2.045 1.00 0.00 H new ATOM 0 HE ARG A 50 3.509 -11.225 0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.853 -14.533 -0.501 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.307 -15.116 1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.726 -11.903 2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.797 -13.638 2.744 1.00 0.00 H new ATOM 824 N GLU A 51 0.791 -11.988 -3.904 1.00 0.00 N ATOM 825 CA GLU A 51 0.981 -13.234 -4.697 1.00 0.00 C ATOM 826 C GLU A 51 0.612 -12.962 -6.150 1.00 0.00 C ATOM 827 O GLU A 51 1.377 -13.193 -7.064 1.00 0.00 O ATOM 828 CB GLU A 51 -0.006 -14.224 -4.081 1.00 0.00 C ATOM 829 CG GLU A 51 -0.250 -15.396 -5.037 1.00 0.00 C ATOM 830 CD GLU A 51 1.072 -15.850 -5.659 1.00 0.00 C ATOM 831 OE1 GLU A 51 1.942 -16.272 -4.915 1.00 0.00 O ATOM 832 OE2 GLU A 51 1.192 -15.769 -6.870 1.00 0.00 O ATOM 0 H GLU A 51 -0.034 -11.983 -3.304 1.00 0.00 H new ATOM 0 HA GLU A 51 2.006 -13.604 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.384 -14.594 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.948 -13.721 -3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.711 -16.224 -4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.946 -15.097 -5.821 1.00 0.00 H new ATOM 839 N ASP A 52 -0.563 -12.459 -6.362 1.00 0.00 N ATOM 840 CA ASP A 52 -0.990 -12.148 -7.753 1.00 0.00 C ATOM 841 C ASP A 52 0.062 -11.249 -8.402 1.00 0.00 C ATOM 842 O ASP A 52 0.590 -11.554 -9.452 1.00 0.00 O ATOM 843 CB ASP A 52 -2.323 -11.412 -7.619 1.00 0.00 C ATOM 844 CG ASP A 52 -3.123 -11.568 -8.914 1.00 0.00 C ATOM 845 OD1 ASP A 52 -2.849 -12.502 -9.648 1.00 0.00 O ATOM 846 OD2 ASP A 52 -3.997 -10.749 -9.149 1.00 0.00 O ATOM 0 H ASP A 52 -1.249 -12.248 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.097 -13.039 -8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.889 -11.813 -6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.149 -10.356 -7.411 1.00 0.00 H new ATOM 851 N ILE A 53 0.389 -10.152 -7.772 1.00 0.00 N ATOM 852 CA ILE A 53 1.428 -9.256 -8.348 1.00 0.00 C ATOM 853 C ILE A 53 2.740 -10.031 -8.443 1.00 0.00 C ATOM 854 O ILE A 53 3.589 -9.746 -9.264 1.00 0.00 O ATOM 855 CB ILE A 53 1.551 -8.089 -7.367 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.327 -7.178 -7.506 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.817 -7.289 -7.685 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.491 -5.952 -6.605 1.00 0.00 C ATOM 0 H ILE A 53 -0.017 -9.841 -6.889 1.00 0.00 H new ATOM 0 HA ILE A 53 1.178 -8.898 -9.347 1.00 0.00 H new ATOM 0 HB ILE A 53 1.608 -8.473 -6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.210 -6.866 -8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.577 -7.723 -7.234 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.906 -6.457 -6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.689 -7.936 -7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.758 -6.904 -8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.381 -5.306 -6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.586 -6.273 -5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.385 -5.402 -6.898 1.00 0.00 H new ATOM 870 N VAL A 54 2.896 -11.030 -7.616 1.00 0.00 N ATOM 871 CA VAL A 54 4.135 -11.851 -7.662 1.00 0.00 C ATOM 872 C VAL A 54 4.188 -12.583 -9.009 1.00 0.00 C ATOM 873 O VAL A 54 5.149 -12.486 -9.745 1.00 0.00 O ATOM 874 CB VAL A 54 4.008 -12.817 -6.464 1.00 0.00 C ATOM 875 CG1 VAL A 54 4.179 -14.277 -6.903 1.00 0.00 C ATOM 876 CG2 VAL A 54 5.081 -12.483 -5.428 1.00 0.00 C ATOM 0 H VAL A 54 2.216 -11.311 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 54 5.057 -11.275 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 54 3.012 -12.697 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.084 -14.931 -6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.411 -14.529 -7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.164 -14.409 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.993 -13.164 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.068 -12.590 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.948 -11.457 -5.084 1.00 0.00 H new ATOM 886 N SER A 55 3.148 -13.299 -9.340 1.00 0.00 N ATOM 887 CA SER A 55 3.125 -14.018 -10.647 1.00 0.00 C ATOM 888 C SER A 55 2.386 -13.176 -11.684 1.00 0.00 C ATOM 889 O SER A 55 1.371 -12.573 -11.399 1.00 0.00 O ATOM 890 CB SER A 55 2.375 -15.322 -10.394 1.00 0.00 C ATOM 891 OG SER A 55 2.035 -15.419 -9.017 1.00 0.00 O ATOM 0 H SER A 55 2.315 -13.417 -8.764 1.00 0.00 H new ATOM 0 HA SER A 55 4.130 -14.205 -11.026 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.473 -15.358 -11.005 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.993 -16.171 -10.687 1.00 0.00 H new ATOM 0 HG SER A 55 1.207 -15.934 -8.920 1.00 0.00 H new ATOM 897 N GLY A 56 2.890 -13.117 -12.880 1.00 0.00 N ATOM 898 CA GLY A 56 2.223 -12.302 -13.921 1.00 0.00 C ATOM 899 C GLY A 56 2.585 -10.845 -13.688 1.00 0.00 C ATOM 900 O GLY A 56 2.208 -10.256 -12.696 1.00 0.00 O ATOM 0 H GLY A 56 3.737 -13.600 -13.181 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.542 -12.619 -14.914 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.142 -12.437 -13.875 1.00 0.00 H new ATOM 904 N LYS A 57 3.324 -10.263 -14.584 1.00 0.00 N ATOM 905 CA LYS A 57 3.727 -8.835 -14.416 1.00 0.00 C ATOM 906 C LYS A 57 2.496 -7.927 -14.488 1.00 0.00 C ATOM 907 O LYS A 57 2.431 -7.011 -15.283 1.00 0.00 O ATOM 908 CB LYS A 57 4.677 -8.551 -15.580 1.00 0.00 C ATOM 909 CG LYS A 57 5.241 -7.133 -15.451 1.00 0.00 C ATOM 910 CD LYS A 57 6.036 -7.014 -14.149 1.00 0.00 C ATOM 911 CE LYS A 57 6.552 -5.581 -13.996 1.00 0.00 C ATOM 912 NZ LYS A 57 7.712 -5.490 -14.926 1.00 0.00 N ATOM 0 H LYS A 57 3.670 -10.713 -15.431 1.00 0.00 H new ATOM 0 HA LYS A 57 4.201 -8.649 -13.452 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.490 -9.277 -15.584 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.149 -8.658 -16.528 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.883 -6.907 -16.303 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.429 -6.405 -15.461 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.405 -7.278 -13.300 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.871 -7.714 -14.155 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.782 -4.854 -14.253 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.853 -5.377 -12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.582 -5.322 -14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.802 -6.380 -15.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.563 -4.704 -15.591 1.00 0.00 H new ATOM 926 N ALA A 58 1.521 -8.178 -13.662 1.00 0.00 N ATOM 927 CA ALA A 58 0.294 -7.342 -13.669 1.00 0.00 C ATOM 928 C ALA A 58 0.658 -5.862 -13.527 1.00 0.00 C ATOM 929 O ALA A 58 1.697 -5.516 -13.002 1.00 0.00 O ATOM 930 CB ALA A 58 -0.489 -7.823 -12.452 1.00 0.00 C ATOM 0 H ALA A 58 1.523 -8.934 -12.977 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.275 -7.433 -14.594 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.419 -7.260 -12.372 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.715 -8.884 -12.561 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.107 -7.669 -11.552 1.00 0.00 H new ATOM 936 N ASN A 59 -0.189 -4.985 -13.990 1.00 0.00 N ATOM 937 CA ASN A 59 0.110 -3.529 -13.880 1.00 0.00 C ATOM 938 C ASN A 59 0.098 -3.096 -12.411 1.00 0.00 C ATOM 939 O ASN A 59 0.185 -3.910 -11.513 1.00 0.00 O ATOM 940 CB ASN A 59 -1.014 -2.835 -14.649 1.00 0.00 C ATOM 941 CG ASN A 59 -0.525 -2.466 -16.050 1.00 0.00 C ATOM 942 OD1 ASN A 59 -0.914 -3.081 -17.023 1.00 0.00 O ATOM 943 ND2 ASN A 59 0.316 -1.479 -16.197 1.00 0.00 N ATOM 0 H ASN A 59 -1.075 -5.213 -14.440 1.00 0.00 H new ATOM 0 HA ASN A 59 1.093 -3.279 -14.278 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.881 -3.492 -14.717 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.333 -1.939 -14.117 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.646 -1.225 -17.128 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.643 -0.962 -15.381 1.00 0.00 H new ATOM 950 N PHE A 60 -0.011 -1.820 -12.161 1.00 0.00 N ATOM 951 CA PHE A 60 -0.032 -1.334 -10.751 1.00 0.00 C ATOM 952 C PHE A 60 -0.530 0.112 -10.694 1.00 0.00 C ATOM 953 O PHE A 60 -1.205 0.510 -9.765 1.00 0.00 O ATOM 954 CB PHE A 60 1.417 -1.420 -10.275 1.00 0.00 C ATOM 955 CG PHE A 60 1.468 -1.165 -8.787 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.366 0.143 -8.296 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.613 -2.237 -7.898 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.408 0.377 -6.917 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.656 -2.002 -6.519 1.00 0.00 C ATOM 960 CZ PHE A 60 1.553 -0.695 -6.028 1.00 0.00 C ATOM 0 H PHE A 60 -0.086 -1.092 -12.872 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.701 -1.925 -10.125 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.829 -2.403 -10.502 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.029 -0.689 -10.802 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.255 0.970 -8.981 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.692 -3.245 -8.277 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.329 1.385 -6.538 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.769 -2.829 -5.834 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.585 -0.514 -4.964 1.00 0.00 H new ATOM 970 N GLU A 61 -0.200 0.901 -11.677 1.00 0.00 N ATOM 971 CA GLU A 61 -0.653 2.321 -11.677 1.00 0.00 C ATOM 972 C GLU A 61 -2.176 2.390 -11.802 1.00 0.00 C ATOM 973 O GLU A 61 -2.878 2.577 -10.828 1.00 0.00 O ATOM 974 CB GLU A 61 0.020 2.951 -12.895 1.00 0.00 C ATOM 975 CG GLU A 61 1.518 3.101 -12.626 1.00 0.00 C ATOM 976 CD GLU A 61 2.065 4.286 -13.423 1.00 0.00 C ATOM 977 OE1 GLU A 61 1.408 5.314 -13.444 1.00 0.00 O ATOM 978 OE2 GLU A 61 3.132 4.146 -13.998 1.00 0.00 O ATOM 0 H GLU A 61 0.364 0.625 -12.481 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.390 2.840 -10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.142 2.330 -13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.422 3.925 -13.106 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.693 3.254 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.042 2.187 -12.907 1.00 0.00 H new ATOM 985 N GLU A 62 -2.694 2.240 -12.990 1.00 0.00 N ATOM 986 CA GLU A 62 -4.173 2.296 -13.164 1.00 0.00 C ATOM 987 C GLU A 62 -4.856 1.495 -12.055 1.00 0.00 C ATOM 988 O GLU A 62 -5.782 1.959 -11.421 1.00 0.00 O ATOM 989 CB GLU A 62 -4.440 1.664 -14.530 1.00 0.00 C ATOM 990 CG GLU A 62 -5.635 2.357 -15.186 1.00 0.00 C ATOM 991 CD GLU A 62 -5.481 2.307 -16.707 1.00 0.00 C ATOM 992 OE1 GLU A 62 -4.764 3.139 -17.238 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.082 1.436 -17.315 1.00 0.00 O ATOM 0 H GLU A 62 -2.160 2.082 -13.844 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.560 3.313 -13.110 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.559 1.757 -15.164 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.641 0.599 -14.417 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.562 1.867 -14.887 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.698 3.392 -14.850 1.00 0.00 H new ATOM 1000 N VAL A 63 -4.400 0.298 -11.808 1.00 0.00 N ATOM 1001 CA VAL A 63 -5.021 -0.521 -10.732 1.00 0.00 C ATOM 1002 C VAL A 63 -4.975 0.256 -9.412 1.00 0.00 C ATOM 1003 O VAL A 63 -5.919 0.263 -8.650 1.00 0.00 O ATOM 1004 CB VAL A 63 -4.180 -1.814 -10.682 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -3.448 -1.954 -9.339 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -5.102 -3.019 -10.878 1.00 0.00 C ATOM 0 H VAL A 63 -3.627 -0.146 -12.303 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.071 -0.753 -10.913 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.434 -1.768 -11.476 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.865 -2.875 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.782 -1.103 -9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.177 -1.984 -8.529 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.514 -3.936 -10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.850 -3.038 -10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.600 -2.943 -11.845 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.883 0.913 -9.146 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.772 1.692 -7.882 1.00 0.00 C ATOM 1018 C ALA A 64 -4.624 2.959 -7.969 1.00 0.00 C ATOM 1019 O ALA A 64 -5.455 3.223 -7.125 1.00 0.00 O ATOM 1020 CB ALA A 64 -2.290 2.054 -7.770 1.00 0.00 C ATOM 0 H ALA A 64 -3.061 0.945 -9.749 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.122 1.129 -7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.124 2.632 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.694 1.142 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.994 2.647 -8.635 1.00 0.00 H new ATOM 1026 N THR A 65 -4.425 3.743 -8.990 1.00 0.00 N ATOM 1027 CA THR A 65 -5.218 4.995 -9.140 1.00 0.00 C ATOM 1028 C THR A 65 -6.692 4.748 -8.792 1.00 0.00 C ATOM 1029 O THR A 65 -7.407 5.653 -8.408 1.00 0.00 O ATOM 1030 CB THR A 65 -5.059 5.369 -10.613 1.00 0.00 C ATOM 1031 OG1 THR A 65 -4.685 4.214 -11.344 1.00 0.00 O ATOM 1032 CG2 THR A 65 -3.974 6.437 -10.756 1.00 0.00 C ATOM 0 H THR A 65 -3.745 3.571 -9.730 1.00 0.00 H new ATOM 0 HA THR A 65 -4.878 5.788 -8.473 1.00 0.00 H new ATOM 0 HB THR A 65 -6.001 5.760 -10.997 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.463 3.628 -11.450 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.861 6.703 -11.807 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.257 7.322 -10.186 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.029 6.048 -10.377 1.00 0.00 H new ATOM 1040 N ARG A 66 -7.156 3.534 -8.926 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.585 3.242 -8.604 1.00 0.00 C ATOM 1042 C ARG A 66 -8.726 2.717 -7.171 1.00 0.00 C ATOM 1043 O ARG A 66 -9.406 3.297 -6.348 1.00 0.00 O ATOM 1044 CB ARG A 66 -9.002 2.169 -9.610 1.00 0.00 C ATOM 1045 CG ARG A 66 -10.384 1.628 -9.238 1.00 0.00 C ATOM 1046 CD ARG A 66 -11.450 2.675 -9.568 1.00 0.00 C ATOM 1047 NE ARG A 66 -12.742 2.037 -9.195 1.00 0.00 N ATOM 1048 CZ ARG A 66 -13.056 1.885 -7.937 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -13.551 2.886 -7.262 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.873 0.732 -7.354 1.00 0.00 N ATOM 0 H ARG A 66 -6.610 2.733 -9.244 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.207 4.135 -8.669 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.023 2.588 -10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.273 1.359 -9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.584 0.706 -9.784 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.416 1.383 -8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.287 3.595 -9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.430 2.939 -10.625 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.382 1.718 -9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.693 3.788 -7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.796 2.767 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.485 -0.050 -7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.118 0.613 -6.371 1.00 0.00 H new ATOM 1064 N VAL A 67 -8.087 1.624 -6.872 1.00 0.00 N ATOM 1065 CA VAL A 67 -8.176 1.048 -5.497 1.00 0.00 C ATOM 1066 C VAL A 67 -6.987 1.519 -4.661 1.00 0.00 C ATOM 1067 O VAL A 67 -6.108 0.754 -4.320 1.00 0.00 O ATOM 1068 CB VAL A 67 -8.140 -0.472 -5.687 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -6.995 -0.854 -6.625 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.922 -1.147 -4.334 1.00 0.00 C ATOM 0 H VAL A 67 -7.502 1.099 -7.522 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.080 1.361 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.086 -0.799 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.976 -1.936 -6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.142 -0.375 -7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.048 -0.524 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.896 -2.229 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.977 -0.811 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.738 -0.884 -3.660 1.00 0.00 H new ATOM 1080 N SER A 68 -6.949 2.782 -4.348 1.00 0.00 N ATOM 1081 CA SER A 68 -5.809 3.323 -3.550 1.00 0.00 C ATOM 1082 C SER A 68 -6.305 4.181 -2.380 1.00 0.00 C ATOM 1083 O SER A 68 -7.489 4.394 -2.206 1.00 0.00 O ATOM 1084 CB SER A 68 -5.050 4.195 -4.533 1.00 0.00 C ATOM 1085 OG SER A 68 -5.968 5.086 -5.139 1.00 0.00 O ATOM 0 H SER A 68 -7.658 3.467 -4.609 1.00 0.00 H new ATOM 0 HA SER A 68 -5.203 2.527 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.265 4.750 -4.020 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.563 3.579 -5.289 1.00 0.00 H new ATOM 0 HG SER A 68 -6.271 4.713 -5.993 1.00 0.00 H new ATOM 1091 N ASP A 69 -5.394 4.682 -1.583 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.788 5.538 -0.425 1.00 0.00 C ATOM 1093 C ASP A 69 -6.263 6.903 -0.919 1.00 0.00 C ATOM 1094 O ASP A 69 -5.621 7.910 -0.701 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.515 5.685 0.410 1.00 0.00 C ATOM 1096 CG ASP A 69 -4.874 6.194 1.808 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -5.724 5.586 2.438 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -4.292 7.182 2.224 1.00 0.00 O ATOM 0 H ASP A 69 -4.390 4.533 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.606 5.104 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.002 4.726 0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.828 6.378 -0.075 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.384 6.939 -1.585 1.00 0.00 N ATOM 1104 CA CYS A 70 -7.913 8.235 -2.102 1.00 0.00 C ATOM 1105 C CYS A 70 -6.790 9.042 -2.764 1.00 0.00 C ATOM 1106 O CYS A 70 -6.525 8.911 -3.948 1.00 0.00 O ATOM 1107 CB CYS A 70 -8.450 8.966 -0.871 1.00 0.00 C ATOM 1108 SG CYS A 70 -8.938 10.646 -1.334 1.00 0.00 S ATOM 0 H CYS A 70 -7.960 6.124 -1.795 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.685 8.092 -2.858 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.304 8.428 -0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.688 8.999 -0.093 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.897 10.593 -2.210 1.00 0.00 H new ATOM 1114 N SER A 71 -6.114 9.866 -2.007 1.00 0.00 N ATOM 1115 CA SER A 71 -4.998 10.656 -2.588 1.00 0.00 C ATOM 1116 C SER A 71 -4.160 9.735 -3.460 1.00 0.00 C ATOM 1117 O SER A 71 -3.840 10.040 -4.592 1.00 0.00 O ATOM 1118 CB SER A 71 -4.200 11.125 -1.379 1.00 0.00 C ATOM 1119 OG SER A 71 -3.182 12.022 -1.801 1.00 0.00 O ATOM 0 H SER A 71 -6.289 10.023 -1.014 1.00 0.00 H new ATOM 0 HA SER A 71 -5.325 11.493 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.859 11.617 -0.664 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.757 10.270 -0.868 1.00 0.00 H new ATOM 0 HG SER A 71 -2.670 12.325 -1.022 1.00 0.00 H new ATOM 1125 N SER A 72 -3.830 8.591 -2.940 1.00 0.00 N ATOM 1126 CA SER A 72 -3.039 7.618 -3.736 1.00 0.00 C ATOM 1127 C SER A 72 -3.733 7.403 -5.081 1.00 0.00 C ATOM 1128 O SER A 72 -3.096 7.276 -6.100 1.00 0.00 O ATOM 1129 CB SER A 72 -3.029 6.334 -2.910 1.00 0.00 C ATOM 1130 OG SER A 72 -2.215 6.520 -1.760 1.00 0.00 O ATOM 0 H SER A 72 -4.074 8.287 -1.997 1.00 0.00 H new ATOM 0 HA SER A 72 -2.023 7.956 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.044 6.072 -2.612 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.649 5.506 -3.509 1.00 0.00 H new ATOM 0 HG SER A 72 -1.415 5.958 -1.831 1.00 0.00 H new ATOM 1136 N ALA A 73 -5.035 7.406 -5.107 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.728 7.248 -6.416 1.00 0.00 C ATOM 1138 C ALA A 73 -5.112 8.244 -7.387 1.00 0.00 C ATOM 1139 O ALA A 73 -4.920 7.965 -8.553 1.00 0.00 O ATOM 1140 CB ALA A 73 -7.196 7.567 -6.140 1.00 0.00 C ATOM 0 H ALA A 73 -5.642 7.509 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.635 6.252 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.769 7.471 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.586 6.872 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.282 8.586 -5.764 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.759 9.395 -6.891 1.00 0.00 N ATOM 1147 CA LYS A 74 -4.102 10.406 -7.763 1.00 0.00 C ATOM 1148 C LYS A 74 -2.627 10.019 -7.911 1.00 0.00 C ATOM 1149 O LYS A 74 -1.980 10.314 -8.897 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.252 11.733 -7.017 1.00 0.00 C ATOM 1151 CG LYS A 74 -3.967 12.892 -7.975 1.00 0.00 C ATOM 1152 CD LYS A 74 -2.477 13.239 -7.939 1.00 0.00 C ATOM 1153 CE LYS A 74 -2.217 14.461 -8.824 1.00 0.00 C ATOM 1154 NZ LYS A 74 -0.768 14.757 -8.657 1.00 0.00 N ATOM 0 H LYS A 74 -4.897 9.679 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.534 10.472 -8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.260 11.822 -6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.564 11.768 -6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.262 12.619 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.560 13.763 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.165 13.445 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.887 12.392 -8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.460 14.252 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.831 15.308 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.514 15.584 -9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.568 14.959 -7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.208 13.936 -8.963 1.00 0.00 H new ATOM 1168 N ARG A 75 -2.109 9.339 -6.922 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.688 8.884 -6.949 1.00 0.00 C ATOM 1170 C ARG A 75 -0.635 7.363 -6.749 1.00 0.00 C ATOM 1171 O ARG A 75 -0.004 6.870 -5.836 1.00 0.00 O ATOM 1172 CB ARG A 75 -0.037 9.591 -5.760 1.00 0.00 C ATOM 1173 CG ARG A 75 0.200 11.059 -6.107 1.00 0.00 C ATOM 1174 CD ARG A 75 1.612 11.466 -5.681 1.00 0.00 C ATOM 1175 NE ARG A 75 1.509 12.913 -5.342 1.00 0.00 N ATOM 1176 CZ ARG A 75 2.590 13.636 -5.232 1.00 0.00 C ATOM 1177 NH1 ARG A 75 3.239 13.673 -4.100 1.00 0.00 N ATOM 1178 NH2 ARG A 75 3.022 14.322 -6.254 1.00 0.00 N ATOM 0 H ARG A 75 -2.622 9.075 -6.081 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.188 9.111 -7.890 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.678 9.513 -4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.908 9.109 -5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.073 11.215 -7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.537 11.685 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.950 10.883 -4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.330 11.299 -6.484 1.00 0.00 H new ATOM 0 HE ARG A 75 0.594 13.339 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.901 13.137 -3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.084 14.238 -4.015 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.515 14.293 -7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.867 14.887 -6.168 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.317 6.621 -7.581 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.333 5.138 -7.425 1.00 0.00 C ATOM 1194 C GLY A 76 0.022 4.563 -7.813 1.00 0.00 C ATOM 1195 O GLY A 76 0.305 3.403 -7.586 1.00 0.00 O ATOM 0 H GLY A 76 -1.865 6.979 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.568 4.874 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.114 4.706 -8.051 1.00 0.00 H new ATOM 1199 N GLY A 77 0.864 5.361 -8.398 1.00 0.00 N ATOM 1200 CA GLY A 77 2.201 4.853 -8.798 1.00 0.00 C ATOM 1201 C GLY A 77 3.030 4.560 -7.549 1.00 0.00 C ATOM 1202 O GLY A 77 2.845 3.557 -6.879 1.00 0.00 O ATOM 0 H GLY A 77 0.686 6.341 -8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.094 3.948 -9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.710 5.589 -9.421 1.00 0.00 H new ATOM 1206 N ASP A 78 3.948 5.424 -7.227 1.00 0.00 N ATOM 1207 CA ASP A 78 4.790 5.178 -6.027 1.00 0.00 C ATOM 1208 C ASP A 78 5.230 6.492 -5.383 1.00 0.00 C ATOM 1209 O ASP A 78 5.009 7.564 -5.910 1.00 0.00 O ATOM 1210 CB ASP A 78 6.008 4.421 -6.559 1.00 0.00 C ATOM 1211 CG ASP A 78 6.886 5.379 -7.367 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.340 6.108 -8.180 1.00 0.00 O ATOM 1213 OD2 ASP A 78 8.088 5.368 -7.161 1.00 0.00 O ATOM 0 H ASP A 78 4.151 6.283 -7.738 1.00 0.00 H new ATOM 0 HA ASP A 78 4.249 4.624 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.578 3.998 -5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.688 3.588 -7.185 1.00 0.00 H new ATOM 1218 N LEU A 79 5.870 6.407 -4.249 1.00 0.00 N ATOM 1219 CA LEU A 79 6.352 7.638 -3.566 1.00 0.00 C ATOM 1220 C LEU A 79 7.597 8.146 -4.290 1.00 0.00 C ATOM 1221 O LEU A 79 7.673 9.279 -4.718 1.00 0.00 O ATOM 1222 CB LEU A 79 6.712 7.191 -2.145 1.00 0.00 C ATOM 1223 CG LEU A 79 5.442 6.904 -1.337 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.661 5.760 -1.987 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.831 6.495 0.085 1.00 0.00 C ATOM 0 H LEU A 79 6.080 5.534 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 79 5.612 8.439 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.335 6.297 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.298 7.966 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 79 4.822 7.800 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.759 5.560 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.385 6.039 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.282 4.864 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.930 6.290 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.451 5.599 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.389 7.304 0.557 1.00 0.00 H new ATOM 1237 N GLY A 80 8.571 7.294 -4.422 1.00 0.00 N ATOM 1238 CA GLY A 80 9.830 7.671 -5.108 1.00 0.00 C ATOM 1239 C GLY A 80 10.987 7.401 -4.164 1.00 0.00 C ATOM 1240 O GLY A 80 11.609 6.359 -4.203 1.00 0.00 O ATOM 0 H GLY A 80 8.545 6.335 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.948 7.097 -6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.808 8.724 -5.390 1.00 0.00 H new ATOM 1244 N SER A 81 11.266 8.332 -3.305 1.00 0.00 N ATOM 1245 CA SER A 81 12.380 8.148 -2.342 1.00 0.00 C ATOM 1246 C SER A 81 12.122 8.955 -1.070 1.00 0.00 C ATOM 1247 O SER A 81 11.732 10.105 -1.115 1.00 0.00 O ATOM 1248 CB SER A 81 13.609 8.661 -3.073 1.00 0.00 C ATOM 1249 OG SER A 81 13.714 10.069 -2.899 1.00 0.00 O ATOM 0 H SER A 81 10.768 9.219 -3.227 1.00 0.00 H new ATOM 0 HA SER A 81 12.496 7.110 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.504 8.169 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.541 8.419 -4.134 1.00 0.00 H new ATOM 0 HG SER A 81 12.899 10.408 -2.472 1.00 0.00 H new ATOM 1255 N PHE A 82 12.324 8.349 0.064 1.00 0.00 N ATOM 1256 CA PHE A 82 12.081 9.057 1.351 1.00 0.00 C ATOM 1257 C PHE A 82 12.781 8.302 2.485 1.00 0.00 C ATOM 1258 O PHE A 82 13.801 7.674 2.280 1.00 0.00 O ATOM 1259 CB PHE A 82 10.563 9.013 1.522 1.00 0.00 C ATOM 1260 CG PHE A 82 10.099 7.583 1.388 1.00 0.00 C ATOM 1261 CD1 PHE A 82 10.032 6.986 0.123 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.748 6.851 2.526 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.616 5.658 -0.004 1.00 0.00 C ATOM 1264 CE2 PHE A 82 9.329 5.522 2.399 1.00 0.00 C ATOM 1265 CZ PHE A 82 9.265 4.926 1.133 1.00 0.00 C ATOM 0 H PHE A 82 12.649 7.387 0.156 1.00 0.00 H new ATOM 0 HA PHE A 82 12.463 10.078 1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.281 9.411 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.080 9.638 0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.302 7.553 -0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.800 7.311 3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.566 5.198 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.055 4.956 3.277 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.944 3.899 1.036 1.00 0.00 H new ATOM 1275 N GLY A 83 12.248 8.344 3.675 1.00 0.00 N ATOM 1276 CA GLY A 83 12.901 7.612 4.795 1.00 0.00 C ATOM 1277 C GLY A 83 12.503 8.233 6.133 1.00 0.00 C ATOM 1278 O GLY A 83 11.640 7.736 6.828 1.00 0.00 O ATOM 0 H GLY A 83 11.396 8.849 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.610 6.562 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.984 7.645 4.678 1.00 0.00 H new ATOM 1282 N ARG A 84 13.137 9.309 6.505 1.00 0.00 N ATOM 1283 CA ARG A 84 12.809 9.957 7.808 1.00 0.00 C ATOM 1284 C ARG A 84 11.800 11.093 7.614 1.00 0.00 C ATOM 1285 O ARG A 84 12.046 12.039 6.892 1.00 0.00 O ATOM 1286 CB ARG A 84 14.140 10.514 8.326 1.00 0.00 C ATOM 1287 CG ARG A 84 15.268 9.512 8.055 1.00 0.00 C ATOM 1288 CD ARG A 84 14.843 8.117 8.523 1.00 0.00 C ATOM 1289 NE ARG A 84 14.239 8.329 9.868 1.00 0.00 N ATOM 1290 CZ ARG A 84 14.653 7.629 10.887 1.00 0.00 C ATOM 1291 NH1 ARG A 84 15.088 6.411 10.710 1.00 0.00 N ATOM 1292 NH2 ARG A 84 14.634 8.147 12.084 1.00 0.00 N ATOM 0 H ARG A 84 13.869 9.769 5.964 1.00 0.00 H new ATOM 0 HA ARG A 84 12.357 9.251 8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.361 11.464 7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.069 10.714 9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.503 9.493 6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.174 9.820 8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.126 7.671 7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.697 7.441 8.576 1.00 0.00 H new ATOM 0 HE ARG A 84 13.501 9.022 9.992 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.104 6.006 9.774 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.412 5.864 11.508 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.295 9.099 12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.958 7.600 12.882 1.00 0.00 H new ATOM 1306 N GLY A 85 10.670 11.013 8.264 1.00 0.00 N ATOM 1307 CA GLY A 85 9.653 12.094 8.128 1.00 0.00 C ATOM 1308 C GLY A 85 8.444 11.582 7.347 1.00 0.00 C ATOM 1309 O GLY A 85 7.324 11.623 7.816 1.00 0.00 O ATOM 0 H GLY A 85 10.408 10.246 8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.340 12.436 9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.089 12.952 7.617 1.00 0.00 H new ATOM 1313 N GLN A 86 8.661 11.104 6.157 1.00 0.00 N ATOM 1314 CA GLN A 86 7.518 10.593 5.341 1.00 0.00 C ATOM 1315 C GLN A 86 6.936 9.340 5.984 1.00 0.00 C ATOM 1316 O GLN A 86 7.461 8.821 6.950 1.00 0.00 O ATOM 1317 CB GLN A 86 8.102 10.235 3.972 1.00 0.00 C ATOM 1318 CG GLN A 86 9.134 11.276 3.549 1.00 0.00 C ATOM 1319 CD GLN A 86 9.140 11.399 2.024 1.00 0.00 C ATOM 1320 OE1 GLN A 86 8.149 11.123 1.377 1.00 0.00 O ATOM 1321 NE2 GLN A 86 10.222 11.805 1.419 1.00 0.00 N ATOM 0 H GLN A 86 9.576 11.043 5.711 1.00 0.00 H new ATOM 0 HA GLN A 86 6.724 11.335 5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.565 9.249 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.304 10.182 3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.900 12.240 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 86 10.123 10.988 3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.054 12.037 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.236 11.891 0.403 1.00 0.00 H new ATOM 1330 N MET A 87 5.869 8.832 5.438 1.00 0.00 N ATOM 1331 CA MET A 87 5.273 7.593 5.998 1.00 0.00 C ATOM 1332 C MET A 87 4.933 7.772 7.480 1.00 0.00 C ATOM 1333 O MET A 87 4.804 8.876 7.971 1.00 0.00 O ATOM 1334 CB MET A 87 6.372 6.548 5.812 1.00 0.00 C ATOM 1335 CG MET A 87 6.000 5.598 4.667 1.00 0.00 C ATOM 1336 SD MET A 87 5.379 6.543 3.247 1.00 0.00 S ATOM 1337 CE MET A 87 6.893 7.472 2.900 1.00 0.00 C ATOM 0 H MET A 87 5.385 9.222 4.629 1.00 0.00 H new ATOM 0 HA MET A 87 4.339 7.315 5.510 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.320 7.040 5.595 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.509 5.984 6.734 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.871 5.014 4.372 1.00 0.00 H new ATOM 0 HG3 MET A 87 5.241 4.891 5.003 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.640 8.507 2.671 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.546 7.442 3.772 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.406 7.027 2.048 1.00 0.00 H new ATOM 1347 N GLN A 88 4.782 6.689 8.193 1.00 0.00 N ATOM 1348 CA GLN A 88 4.441 6.787 9.642 1.00 0.00 C ATOM 1349 C GLN A 88 5.441 5.999 10.483 1.00 0.00 C ATOM 1350 O GLN A 88 6.079 6.525 11.373 1.00 0.00 O ATOM 1351 CB GLN A 88 3.055 6.157 9.762 1.00 0.00 C ATOM 1352 CG GLN A 88 2.591 6.219 11.218 1.00 0.00 C ATOM 1353 CD GLN A 88 1.080 5.985 11.284 1.00 0.00 C ATOM 1354 OE1 GLN A 88 0.595 4.949 10.875 1.00 0.00 O ATOM 1355 NE2 GLN A 88 0.311 6.911 11.788 1.00 0.00 N ATOM 0 H GLN A 88 4.880 5.739 7.835 1.00 0.00 H new ATOM 0 HA GLN A 88 4.465 7.818 9.996 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.348 6.683 9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.084 5.122 9.422 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.112 5.466 11.809 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.838 7.189 11.648 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.718 7.781 12.131 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.697 6.765 11.839 1.00 0.00 H new ATOM 1364 N LYS A 89 5.571 4.737 10.208 1.00 0.00 N ATOM 1365 CA LYS A 89 6.519 3.893 10.991 1.00 0.00 C ATOM 1366 C LYS A 89 6.502 2.448 10.480 1.00 0.00 C ATOM 1367 O LYS A 89 7.529 1.916 10.107 1.00 0.00 O ATOM 1368 CB LYS A 89 6.013 3.960 12.433 1.00 0.00 C ATOM 1369 CG LYS A 89 7.149 4.417 13.353 1.00 0.00 C ATOM 1370 CD LYS A 89 7.741 3.207 14.077 1.00 0.00 C ATOM 1371 CE LYS A 89 7.926 3.538 15.560 1.00 0.00 C ATOM 1372 NZ LYS A 89 9.400 3.518 15.779 1.00 0.00 N ATOM 0 H LYS A 89 5.061 4.247 9.472 1.00 0.00 H new ATOM 0 HA LYS A 89 7.547 4.243 10.902 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.174 4.652 12.503 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.648 2.982 12.747 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.922 4.919 12.771 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.775 5.140 14.078 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.083 2.345 13.965 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.698 2.936 13.632 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.504 4.513 15.802 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.423 2.807 16.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.606 3.736 16.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.773 2.575 15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.851 4.229 15.168 1.00 0.00 H new ATOM 1386 N PRO A 90 5.334 1.853 10.477 1.00 0.00 N ATOM 1387 CA PRO A 90 5.203 0.453 10.000 1.00 0.00 C ATOM 1388 C PRO A 90 5.500 0.367 8.500 1.00 0.00 C ATOM 1389 O PRO A 90 6.065 -0.600 8.029 1.00 0.00 O ATOM 1390 CB PRO A 90 3.748 0.102 10.306 1.00 0.00 C ATOM 1391 CG PRO A 90 3.045 1.418 10.355 1.00 0.00 C ATOM 1392 CD PRO A 90 4.040 2.407 10.902 1.00 0.00 C ATOM 0 HA PRO A 90 5.903 -0.233 10.478 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.326 -0.544 9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.659 -0.430 11.253 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.706 1.715 9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.161 1.363 10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.878 3.406 10.498 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.973 2.487 11.987 1.00 0.00 H new ATOM 1400 N PHE A 91 5.141 1.370 7.743 1.00 0.00 N ATOM 1401 CA PHE A 91 5.433 1.319 6.283 1.00 0.00 C ATOM 1402 C PHE A 91 6.941 1.262 6.067 1.00 0.00 C ATOM 1403 O PHE A 91 7.462 0.333 5.485 1.00 0.00 O ATOM 1404 CB PHE A 91 4.865 2.611 5.686 1.00 0.00 C ATOM 1405 CG PHE A 91 5.193 2.657 4.207 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.524 2.799 3.783 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.172 2.533 3.256 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.829 2.817 2.426 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.483 2.558 1.889 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.812 2.699 1.475 1.00 0.00 C ATOM 0 H PHE A 91 4.665 2.211 8.068 1.00 0.00 H new ATOM 0 HA PHE A 91 4.991 0.440 5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.786 2.651 5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.289 3.478 6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.314 2.895 4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.147 2.418 3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.855 2.923 2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.696 2.468 1.155 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.051 2.717 0.422 1.00 0.00 H new ATOM 1420 N GLU A 92 7.645 2.260 6.522 1.00 0.00 N ATOM 1421 CA GLU A 92 9.122 2.274 6.331 1.00 0.00 C ATOM 1422 C GLU A 92 9.688 0.892 6.631 1.00 0.00 C ATOM 1423 O GLU A 92 10.316 0.270 5.798 1.00 0.00 O ATOM 1424 CB GLU A 92 9.650 3.305 7.330 1.00 0.00 C ATOM 1425 CG GLU A 92 9.961 4.609 6.593 1.00 0.00 C ATOM 1426 CD GLU A 92 9.968 5.770 7.588 1.00 0.00 C ATOM 1427 OE1 GLU A 92 10.429 5.569 8.700 1.00 0.00 O ATOM 1428 OE2 GLU A 92 9.514 6.842 7.222 1.00 0.00 O ATOM 0 H GLU A 92 7.263 3.066 7.017 1.00 0.00 H new ATOM 0 HA GLU A 92 9.409 2.527 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.911 3.483 8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.548 2.927 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.929 4.536 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.217 4.786 5.817 1.00 0.00 H new ATOM 1435 N GLU A 93 9.454 0.401 7.811 1.00 0.00 N ATOM 1436 CA GLU A 93 9.962 -0.951 8.163 1.00 0.00 C ATOM 1437 C GLU A 93 9.606 -1.928 7.042 1.00 0.00 C ATOM 1438 O GLU A 93 10.300 -2.895 6.798 1.00 0.00 O ATOM 1439 CB GLU A 93 9.237 -1.321 9.458 1.00 0.00 C ATOM 1440 CG GLU A 93 10.102 -0.934 10.658 1.00 0.00 C ATOM 1441 CD GLU A 93 9.224 -0.295 11.735 1.00 0.00 C ATOM 1442 OE1 GLU A 93 8.038 -0.145 11.492 1.00 0.00 O ATOM 1443 OE2 GLU A 93 9.752 0.034 12.785 1.00 0.00 O ATOM 0 H GLU A 93 8.933 0.876 8.548 1.00 0.00 H new ATOM 0 HA GLU A 93 11.044 -0.981 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.277 -0.808 9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.028 -2.391 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.603 -1.816 11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.881 -0.237 10.349 1.00 0.00 H new ATOM 1450 N ALA A 94 8.529 -1.670 6.351 1.00 0.00 N ATOM 1451 CA ALA A 94 8.122 -2.568 5.235 1.00 0.00 C ATOM 1452 C ALA A 94 9.147 -2.488 4.109 1.00 0.00 C ATOM 1453 O ALA A 94 9.778 -3.464 3.755 1.00 0.00 O ATOM 1454 CB ALA A 94 6.774 -2.025 4.759 1.00 0.00 C ATOM 0 H ALA A 94 7.912 -0.874 6.512 1.00 0.00 H new ATOM 0 HA ALA A 94 8.056 -3.611 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.406 -2.636 3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.059 -2.056 5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.895 -0.995 4.422 1.00 0.00 H new ATOM 1460 N THR A 95 9.321 -1.327 3.551 1.00 0.00 N ATOM 1461 CA THR A 95 10.312 -1.174 2.454 1.00 0.00 C ATOM 1462 C THR A 95 11.716 -1.371 3.021 1.00 0.00 C ATOM 1463 O THR A 95 12.617 -1.824 2.343 1.00 0.00 O ATOM 1464 CB THR A 95 10.126 0.254 1.937 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.739 0.551 1.851 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.764 0.383 0.553 1.00 0.00 C ATOM 0 H THR A 95 8.820 -0.476 3.807 1.00 0.00 H new ATOM 0 HA THR A 95 10.176 -1.901 1.654 1.00 0.00 H new ATOM 0 HB THR A 95 10.604 0.953 2.623 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.537 1.332 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.631 1.400 0.185 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.828 0.157 0.620 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.288 -0.317 -0.134 1.00 0.00 H new ATOM 1474 N TYR A 96 11.901 -1.048 4.272 1.00 0.00 N ATOM 1475 CA TYR A 96 13.238 -1.231 4.899 1.00 0.00 C ATOM 1476 C TYR A 96 13.463 -2.716 5.176 1.00 0.00 C ATOM 1477 O TYR A 96 14.580 -3.189 5.240 1.00 0.00 O ATOM 1478 CB TYR A 96 13.177 -0.447 6.209 1.00 0.00 C ATOM 1479 CG TYR A 96 13.705 0.948 5.986 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.086 1.179 5.959 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.814 2.011 5.806 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.574 2.475 5.751 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.303 3.306 5.599 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.682 3.538 5.572 1.00 0.00 C ATOM 1485 OH TYR A 96 15.164 4.815 5.368 1.00 0.00 O ATOM 0 H TYR A 96 11.182 -0.665 4.886 1.00 0.00 H new ATOM 0 HA TYR A 96 14.053 -0.885 4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.150 -0.405 6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.766 -0.952 6.975 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.774 0.358 6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.749 1.833 5.827 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.639 2.654 5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.615 4.127 5.460 1.00 0.00 H new ATOM 0 HH TYR A 96 16.032 4.769 4.915 1.00 0.00 H new ATOM 1495 N ALA A 97 12.398 -3.453 5.336 1.00 0.00 N ATOM 1496 CA ALA A 97 12.529 -4.911 5.606 1.00 0.00 C ATOM 1497 C ALA A 97 12.686 -5.675 4.289 1.00 0.00 C ATOM 1498 O ALA A 97 13.570 -6.495 4.137 1.00 0.00 O ATOM 1499 CB ALA A 97 11.221 -5.300 6.298 1.00 0.00 C ATOM 0 H ALA A 97 11.440 -3.106 5.291 1.00 0.00 H new ATOM 0 HA ALA A 97 13.400 -5.145 6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.236 -6.364 6.532 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.112 -4.727 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.382 -5.086 5.636 1.00 0.00 H new ATOM 1505 N LEU A 98 11.831 -5.414 3.336 1.00 0.00 N ATOM 1506 CA LEU A 98 11.929 -6.127 2.030 1.00 0.00 C ATOM 1507 C LEU A 98 12.715 -5.287 1.017 1.00 0.00 C ATOM 1508 O LEU A 98 12.185 -4.384 0.401 1.00 0.00 O ATOM 1509 CB LEU A 98 10.480 -6.306 1.574 1.00 0.00 C ATOM 1510 CG LEU A 98 10.406 -7.437 0.550 1.00 0.00 C ATOM 1511 CD1 LEU A 98 9.159 -8.285 0.812 1.00 0.00 C ATOM 1512 CD2 LEU A 98 10.331 -6.839 -0.856 1.00 0.00 C ATOM 0 H LEU A 98 11.070 -4.739 3.406 1.00 0.00 H new ATOM 0 HA LEU A 98 12.453 -7.079 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.843 -6.533 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.108 -5.380 1.136 1.00 0.00 H new ATOM 0 HG LEU A 98 11.293 -8.065 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.107 -9.092 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.211 -8.708 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.270 -7.660 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.278 -7.642 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.443 -6.213 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 98 11.219 -6.235 -1.042 1.00 0.00 H new ATOM 1524 N LYS A 99 13.976 -5.577 0.841 1.00 0.00 N ATOM 1525 CA LYS A 99 14.792 -4.793 -0.132 1.00 0.00 C ATOM 1526 C LYS A 99 14.140 -4.812 -1.519 1.00 0.00 C ATOM 1527 O LYS A 99 14.030 -3.795 -2.174 1.00 0.00 O ATOM 1528 CB LYS A 99 16.153 -5.491 -0.170 1.00 0.00 C ATOM 1529 CG LYS A 99 15.962 -6.986 -0.438 1.00 0.00 C ATOM 1530 CD LYS A 99 17.038 -7.778 0.307 1.00 0.00 C ATOM 1531 CE LYS A 99 16.384 -8.625 1.401 1.00 0.00 C ATOM 1532 NZ LYS A 99 16.425 -7.774 2.622 1.00 0.00 N ATOM 0 H LYS A 99 14.476 -6.321 1.327 1.00 0.00 H new ATOM 0 HA LYS A 99 14.879 -3.747 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.777 -5.050 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.673 -5.345 0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.971 -7.301 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.023 -7.186 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.580 -8.419 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.767 -7.097 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.360 -8.888 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.924 -9.560 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.821 -8.193 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.403 -7.713 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.079 -6.820 2.392 1.00 0.00 H new ATOM 1546 N VAL A 100 13.706 -5.961 -1.971 1.00 0.00 N ATOM 1547 CA VAL A 100 13.060 -6.049 -3.318 1.00 0.00 C ATOM 1548 C VAL A 100 12.892 -7.523 -3.722 1.00 0.00 C ATOM 1549 O VAL A 100 12.032 -7.862 -4.511 1.00 0.00 O ATOM 1550 CB VAL A 100 14.017 -5.298 -4.270 1.00 0.00 C ATOM 1551 CG1 VAL A 100 14.266 -6.104 -5.554 1.00 0.00 C ATOM 1552 CG2 VAL A 100 13.396 -3.951 -4.646 1.00 0.00 C ATOM 0 H VAL A 100 13.771 -6.844 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 100 12.062 -5.611 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 100 14.968 -5.154 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 100 14.943 -5.551 -6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.712 -7.065 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 100 13.320 -6.268 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.067 -3.416 -5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.441 -4.117 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.238 -3.359 -3.745 1.00 0.00 H new ATOM 1562 N GLY A 101 13.715 -8.391 -3.195 1.00 0.00 N ATOM 1563 CA GLY A 101 13.617 -9.839 -3.549 1.00 0.00 C ATOM 1564 C GLY A 101 12.149 -10.259 -3.652 1.00 0.00 C ATOM 1565 O GLY A 101 11.805 -11.168 -4.381 1.00 0.00 O ATOM 0 H GLY A 101 14.454 -8.159 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.123 -10.024 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.123 -10.441 -2.794 1.00 0.00 H new ATOM 1569 N ASP A 102 11.279 -9.607 -2.930 1.00 0.00 N ATOM 1570 CA ASP A 102 9.835 -9.977 -2.993 1.00 0.00 C ATOM 1571 C ASP A 102 8.976 -8.730 -3.217 1.00 0.00 C ATOM 1572 O ASP A 102 9.402 -7.773 -3.834 1.00 0.00 O ATOM 1573 CB ASP A 102 9.529 -10.603 -1.633 1.00 0.00 C ATOM 1574 CG ASP A 102 10.473 -11.781 -1.389 1.00 0.00 C ATOM 1575 OD1 ASP A 102 10.713 -12.526 -2.325 1.00 0.00 O ATOM 1576 OD2 ASP A 102 10.941 -11.918 -0.271 1.00 0.00 O ATOM 0 H ASP A 102 11.504 -8.836 -2.301 1.00 0.00 H new ATOM 0 HA ASP A 102 9.619 -10.660 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.646 -9.860 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.493 -10.941 -1.601 1.00 0.00 H new ATOM 1581 N ILE A 103 7.769 -8.733 -2.718 1.00 0.00 N ATOM 1582 CA ILE A 103 6.882 -7.547 -2.900 1.00 0.00 C ATOM 1583 C ILE A 103 6.195 -7.192 -1.578 1.00 0.00 C ATOM 1584 O ILE A 103 4.990 -7.280 -1.450 1.00 0.00 O ATOM 1585 CB ILE A 103 5.851 -7.980 -3.940 1.00 0.00 C ATOM 1586 CG1 ILE A 103 6.567 -8.371 -5.234 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.892 -6.823 -4.221 1.00 0.00 C ATOM 1588 CD1 ILE A 103 5.534 -8.779 -6.285 1.00 0.00 C ATOM 0 H ILE A 103 7.359 -9.505 -2.192 1.00 0.00 H new ATOM 0 HA ILE A 103 7.435 -6.663 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 103 5.290 -8.834 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.163 -7.535 -5.600 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.256 -9.195 -5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.156 -7.132 -4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.382 -6.541 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.453 -5.969 -4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.044 -9.058 -7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.958 -9.628 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.863 -7.942 -6.480 1.00 0.00 H new ATOM 1600 N SER A 104 6.954 -6.792 -0.595 1.00 0.00 N ATOM 1601 CA SER A 104 6.348 -6.431 0.721 1.00 0.00 C ATOM 1602 C SER A 104 5.360 -7.515 1.163 1.00 0.00 C ATOM 1603 O SER A 104 5.282 -8.574 0.572 1.00 0.00 O ATOM 1604 CB SER A 104 5.626 -5.106 0.479 1.00 0.00 C ATOM 1605 OG SER A 104 4.726 -4.860 1.552 1.00 0.00 O ATOM 0 H SER A 104 7.969 -6.699 -0.645 1.00 0.00 H new ATOM 0 HA SER A 104 7.095 -6.344 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.348 -4.294 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.083 -5.141 -0.466 1.00 0.00 H new ATOM 0 HG SER A 104 4.969 -4.021 1.997 1.00 0.00 H new ATOM 1611 N ASP A 105 4.607 -7.262 2.201 1.00 0.00 N ATOM 1612 CA ASP A 105 3.632 -8.285 2.677 1.00 0.00 C ATOM 1613 C ASP A 105 2.617 -7.656 3.638 1.00 0.00 C ATOM 1614 O ASP A 105 2.968 -7.186 4.700 1.00 0.00 O ATOM 1615 CB ASP A 105 4.484 -9.324 3.407 1.00 0.00 C ATOM 1616 CG ASP A 105 5.331 -8.626 4.473 1.00 0.00 C ATOM 1617 OD1 ASP A 105 6.045 -7.701 4.121 1.00 0.00 O ATOM 1618 OD2 ASP A 105 5.250 -9.027 5.622 1.00 0.00 O ATOM 0 H ASP A 105 4.625 -6.395 2.737 1.00 0.00 H new ATOM 0 HA ASP A 105 3.059 -8.720 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 105 3.844 -10.076 3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 105 5.128 -9.846 2.699 1.00 0.00 H new ATOM 1623 N ILE A 106 1.363 -7.655 3.266 1.00 0.00 N ATOM 1624 CA ILE A 106 0.302 -7.064 4.147 1.00 0.00 C ATOM 1625 C ILE A 106 0.822 -5.800 4.838 1.00 0.00 C ATOM 1626 O ILE A 106 1.474 -5.861 5.862 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.063 -8.135 5.196 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.637 -9.470 4.892 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.578 -8.348 5.179 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -0.015 -10.595 5.703 1.00 0.00 C ATOM 0 H ILE A 106 1.023 -8.040 2.385 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.572 -6.781 3.560 1.00 0.00 H new ATOM 0 HB ILE A 106 0.266 -7.790 6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.570 -9.692 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.697 -9.400 5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.848 -9.103 5.917 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.080 -7.411 5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.887 -8.682 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.485 -11.538 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.075 -10.376 6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.069 -10.672 5.436 1.00 0.00 H new ATOM 1642 N VAL A 107 0.536 -4.653 4.286 1.00 0.00 N ATOM 1643 CA VAL A 107 1.014 -3.385 4.910 1.00 0.00 C ATOM 1644 C VAL A 107 -0.128 -2.695 5.665 1.00 0.00 C ATOM 1645 O VAL A 107 -0.397 -1.527 5.466 1.00 0.00 O ATOM 1646 CB VAL A 107 1.479 -2.520 3.738 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.171 -1.265 4.272 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.462 -3.312 2.870 1.00 0.00 C ATOM 0 H VAL A 107 -0.008 -4.538 3.431 1.00 0.00 H new ATOM 0 HA VAL A 107 1.810 -3.558 5.634 1.00 0.00 H new ATOM 0 HB VAL A 107 0.615 -2.233 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.502 -0.649 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.472 -0.698 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.033 -1.553 4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.791 -2.693 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.325 -3.602 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.970 -4.206 2.486 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.801 -3.405 6.530 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.923 -2.782 7.294 1.00 0.00 C ATOM 1660 C ASP A 108 -1.462 -1.476 7.944 1.00 0.00 C ATOM 1661 O ASP A 108 -0.772 -1.476 8.944 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.311 -3.815 8.350 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.052 -4.334 9.048 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.421 -5.224 8.504 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -0.742 -3.831 10.115 1.00 0.00 O ATOM 0 H ASP A 108 -0.624 -4.387 6.741 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.768 -2.528 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.985 -3.368 9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.848 -4.642 7.885 1.00 0.00 H new ATOM 1670 N THR A 109 -1.845 -0.362 7.380 1.00 0.00 N ATOM 1671 CA THR A 109 -1.438 0.950 7.955 1.00 0.00 C ATOM 1672 C THR A 109 -2.631 1.904 7.927 1.00 0.00 C ATOM 1673 O THR A 109 -3.765 1.484 7.802 1.00 0.00 O ATOM 1674 CB THR A 109 -0.325 1.459 7.034 1.00 0.00 C ATOM 1675 OG1 THR A 109 -0.604 1.071 5.697 1.00 0.00 O ATOM 1676 CG2 THR A 109 1.017 0.868 7.468 1.00 0.00 C ATOM 0 H THR A 109 -2.425 -0.305 6.543 1.00 0.00 H new ATOM 0 HA THR A 109 -1.101 0.872 8.989 1.00 0.00 H new ATOM 0 HB THR A 109 -0.275 2.546 7.096 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.298 0.151 5.553 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.805 1.233 6.810 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.232 1.168 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.971 -0.220 7.411 1.00 0.00 H new ATOM 1684 N ASP A 110 -2.393 3.182 8.028 1.00 0.00 N ATOM 1685 CA ASP A 110 -3.527 4.143 7.989 1.00 0.00 C ATOM 1686 C ASP A 110 -4.485 3.751 6.859 1.00 0.00 C ATOM 1687 O ASP A 110 -4.101 3.091 5.916 1.00 0.00 O ATOM 1688 CB ASP A 110 -2.884 5.501 7.709 1.00 0.00 C ATOM 1689 CG ASP A 110 -2.282 6.054 9.002 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -2.356 5.367 10.008 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -1.758 7.155 8.965 1.00 0.00 O ATOM 0 H ASP A 110 -1.468 3.599 8.135 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.104 4.157 8.914 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.110 5.399 6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.628 6.194 7.316 1.00 0.00 H new ATOM 1696 N SER A 111 -5.725 4.143 6.947 1.00 0.00 N ATOM 1697 CA SER A 111 -6.702 3.784 5.875 1.00 0.00 C ATOM 1698 C SER A 111 -7.015 2.287 5.912 1.00 0.00 C ATOM 1699 O SER A 111 -8.154 1.884 6.040 1.00 0.00 O ATOM 1700 CB SER A 111 -6.016 4.153 4.559 1.00 0.00 C ATOM 1701 OG SER A 111 -5.283 5.358 4.731 1.00 0.00 O ATOM 0 H SER A 111 -6.107 4.697 7.714 1.00 0.00 H new ATOM 0 HA SER A 111 -7.649 4.308 6.000 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.349 3.350 4.246 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.759 4.275 3.771 1.00 0.00 H new ATOM 0 HG SER A 111 -5.580 6.018 4.071 1.00 0.00 H new ATOM 1707 N GLY A 112 -6.015 1.459 5.796 1.00 0.00 N ATOM 1708 CA GLY A 112 -6.261 -0.010 5.821 1.00 0.00 C ATOM 1709 C GLY A 112 -4.984 -0.752 5.426 1.00 0.00 C ATOM 1710 O GLY A 112 -3.897 -0.395 5.834 1.00 0.00 O ATOM 0 H GLY A 112 -5.039 1.735 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.579 -0.318 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.069 -0.265 5.135 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.106 -1.784 4.636 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.895 -2.549 4.220 1.00 0.00 C ATOM 1716 C VAL A 113 -3.438 -2.113 2.827 1.00 0.00 C ATOM 1717 O VAL A 113 -4.215 -2.039 1.896 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.326 -4.015 4.229 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.588 -4.459 5.669 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.608 -4.175 3.417 1.00 0.00 C ATOM 0 H VAL A 113 -5.989 -2.130 4.261 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.049 -2.377 4.886 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.536 -4.626 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.896 -5.505 5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.677 -4.344 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.378 -3.845 6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.915 -5.221 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.396 -3.563 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.430 -3.856 2.390 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.176 -1.813 2.691 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.644 -1.367 1.374 1.00 0.00 C ATOM 1732 C HIS A 114 -0.621 -2.374 0.840 1.00 0.00 C ATOM 1733 O HIS A 114 -0.315 -3.364 1.474 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.958 -0.033 1.670 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.956 0.947 2.220 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -2.430 2.018 1.479 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.566 1.041 3.447 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -3.285 2.704 2.260 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -3.404 2.151 3.470 1.00 0.00 N ATOM 0 H HIS A 114 -1.486 -1.858 3.441 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.427 -1.280 0.621 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.149 -0.181 2.386 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.509 0.365 0.760 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -2.177 2.245 0.517 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.418 0.357 4.269 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -3.811 3.594 1.946 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.984 2.473 4.244 1.00 0.00 H new ATOM 1747 N ILE A 115 -0.079 -2.111 -0.317 1.00 0.00 N ATOM 1748 CA ILE A 115 0.942 -3.027 -0.904 1.00 0.00 C ATOM 1749 C ILE A 115 2.042 -2.189 -1.558 1.00 0.00 C ATOM 1750 O ILE A 115 1.792 -1.422 -2.466 1.00 0.00 O ATOM 1751 CB ILE A 115 0.192 -3.854 -1.947 1.00 0.00 C ATOM 1752 CG1 ILE A 115 -0.624 -2.923 -2.843 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -0.750 -4.832 -1.241 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.487 -3.366 -4.301 1.00 0.00 C ATOM 0 H ILE A 115 -0.301 -1.294 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 115 1.415 -3.670 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 115 0.908 -4.410 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.672 -2.940 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.277 -1.896 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.285 -5.422 -1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -0.171 -5.496 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.466 -4.275 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.069 -2.702 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.561 -3.326 -4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.855 -4.386 -4.407 1.00 0.00 H new ATOM 1766 N ILE A 116 3.251 -2.303 -1.085 1.00 0.00 N ATOM 1767 CA ILE A 116 4.355 -1.482 -1.661 1.00 0.00 C ATOM 1768 C ILE A 116 5.081 -2.219 -2.790 1.00 0.00 C ATOM 1769 O ILE A 116 5.078 -3.432 -2.865 1.00 0.00 O ATOM 1770 CB ILE A 116 5.301 -1.241 -0.488 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.669 -0.229 0.469 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.632 -0.697 -1.007 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.679 -0.795 1.889 1.00 0.00 C ATOM 0 H ILE A 116 3.524 -2.927 -0.326 1.00 0.00 H new ATOM 0 HA ILE A 116 3.981 -0.558 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 116 5.478 -2.179 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.220 0.711 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.647 -0.010 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.307 -0.525 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.079 -1.419 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.461 0.242 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.229 -0.074 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.109 -1.724 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.707 -0.991 2.195 1.00 0.00 H new ATOM 1785 N LYS A 117 5.715 -1.479 -3.661 1.00 0.00 N ATOM 1786 CA LYS A 117 6.465 -2.106 -4.789 1.00 0.00 C ATOM 1787 C LYS A 117 7.708 -1.266 -5.104 1.00 0.00 C ATOM 1788 O LYS A 117 7.609 -0.115 -5.479 1.00 0.00 O ATOM 1789 CB LYS A 117 5.499 -2.097 -5.976 1.00 0.00 C ATOM 1790 CG LYS A 117 5.859 -3.236 -6.933 1.00 0.00 C ATOM 1791 CD LYS A 117 4.579 -3.855 -7.497 1.00 0.00 C ATOM 1792 CE LYS A 117 4.670 -3.913 -9.024 1.00 0.00 C ATOM 1793 NZ LYS A 117 4.123 -5.249 -9.389 1.00 0.00 N ATOM 0 H LYS A 117 5.746 -0.460 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 117 6.800 -3.117 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.473 -2.212 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.553 -1.140 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 117 6.481 -2.860 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 117 6.442 -3.994 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.438 -4.857 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.714 -3.265 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.094 -3.111 -9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.700 -3.801 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.214 -5.393 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.653 -5.990 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.120 -5.299 -9.120 1.00 0.00 H new ATOM 1807 N ARG A 118 8.877 -1.825 -4.943 1.00 0.00 N ATOM 1808 CA ARG A 118 10.119 -1.045 -5.224 1.00 0.00 C ATOM 1809 C ARG A 118 10.742 -1.476 -6.555 1.00 0.00 C ATOM 1810 O ARG A 118 10.738 -0.737 -7.520 1.00 0.00 O ATOM 1811 CB ARG A 118 11.056 -1.373 -4.062 1.00 0.00 C ATOM 1812 CG ARG A 118 12.409 -0.691 -4.282 1.00 0.00 C ATOM 1813 CD ARG A 118 12.926 -0.150 -2.947 1.00 0.00 C ATOM 1814 NE ARG A 118 14.390 -0.424 -2.959 1.00 0.00 N ATOM 1815 CZ ARG A 118 15.182 0.241 -2.163 1.00 0.00 C ATOM 1816 NH1 ARG A 118 15.210 1.545 -2.211 1.00 0.00 N ATOM 1817 NH2 ARG A 118 15.945 -0.398 -1.320 1.00 0.00 N ATOM 0 H ARG A 118 9.027 -2.784 -4.630 1.00 0.00 H new ATOM 0 HA ARG A 118 9.922 0.024 -5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.617 -1.037 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.190 -2.452 -3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.123 -1.400 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.307 0.121 -5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 118 12.725 0.917 -2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.439 -0.644 -2.106 1.00 0.00 H new ATOM 0 HE ARG A 118 14.773 -1.130 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.613 2.044 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.829 2.065 -1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.923 -1.417 -1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.564 0.121 -0.698 1.00 0.00 H new ATOM 1831 N THR A 119 11.284 -2.661 -6.616 1.00 0.00 N ATOM 1832 CA THR A 119 11.910 -3.127 -7.887 1.00 0.00 C ATOM 1833 C THR A 119 11.918 -4.657 -7.942 1.00 0.00 C ATOM 1834 O THR A 119 12.957 -5.280 -8.046 1.00 0.00 O ATOM 1835 CB THR A 119 13.342 -2.585 -7.849 1.00 0.00 C ATOM 1836 OG1 THR A 119 13.465 -1.639 -6.796 1.00 0.00 O ATOM 1837 CG2 THR A 119 13.671 -1.908 -9.181 1.00 0.00 C ATOM 0 H THR A 119 11.321 -3.326 -5.843 1.00 0.00 H new ATOM 0 HA THR A 119 11.366 -2.779 -8.765 1.00 0.00 H new ATOM 0 HB THR A 119 14.034 -3.410 -7.680 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.382 -1.294 -6.772 1.00 0.00 H new ATOM 0 HG21 THR A 119 14.690 -1.523 -9.152 1.00 0.00 H new ATOM 0 HG22 THR A 119 13.580 -2.633 -9.990 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.977 -1.085 -9.352 1.00 0.00 H new ATOM 1845 N ALA A 120 10.767 -5.267 -7.873 1.00 0.00 N ATOM 1846 CA ALA A 120 10.708 -6.756 -7.920 1.00 0.00 C ATOM 1847 C ALA A 120 10.055 -7.221 -9.224 1.00 0.00 C ATOM 1848 O ALA A 120 10.675 -8.000 -9.929 1.00 0.00 O ATOM 1849 CB ALA A 120 9.852 -7.156 -6.719 1.00 0.00 C ATOM 1850 OXT ALA A 120 8.946 -6.791 -9.495 1.00 0.00 O ATOM 0 H ALA A 120 9.865 -4.799 -7.786 1.00 0.00 H new ATOM 0 HA ALA A 120 11.699 -7.209 -7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.760 -8.242 -6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.323 -6.801 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 120 8.861 -6.711 -6.814 1.00 0.00 H new TER 1856 ALA A 120