USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 856 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 54 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 55 SER OG : rot -12:sc= 0.813 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 55 SER OG : rot -12:sc= 0.844 USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0 (180deg=-5.57e-06) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 53:sc= 0.662 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -4.49! C(o=-5.4!,f=-4.5!) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 39 SER OG : rot 68:sc= 1.18 USER MOD Single : A 45 ASN :FLIP amide:sc= -4.75! C(o=-6.4!,f=-4.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 SER OG : rot 42:sc= 0.978 USER MOD Single : B 30 HIS : no HE2:sc= -8.49! C(o=-8.5!,f=-8.2!) USER MOD Single : B 35 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : B 39 SER OG : rot -20:sc= 0.83 USER MOD Single : B 45 ASN :FLIP amide:sc= -2.45 F(o=-3.4!,f=-2.5) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.891 24.575 -2.542 1.00 0.00 N ATOM 2 CA GLY A 1 7.955 24.960 -1.451 1.00 0.00 C ATOM 3 C GLY A 1 6.813 23.976 -1.292 1.00 0.00 C ATOM 4 O GLY A 1 6.471 23.586 -0.176 1.00 0.00 O ATOM 0 H1 GLY A 1 9.663 25.270 -2.599 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.287 23.634 -2.344 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.379 24.552 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.505 25.028 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.550 25.951 -1.657 1.00 0.00 H new ATOM 10 N SER A 2 6.221 23.573 -2.414 1.00 0.00 N ATOM 11 CA SER A 2 5.110 22.629 -2.397 1.00 0.00 C ATOM 12 C SER A 2 5.540 21.293 -1.800 1.00 0.00 C ATOM 13 O SER A 2 6.597 20.761 -2.140 1.00 0.00 O ATOM 14 CB SER A 2 4.571 22.417 -3.814 1.00 0.00 C ATOM 15 OG SER A 2 3.491 21.502 -3.817 1.00 0.00 O ATOM 0 H SER A 2 6.493 23.886 -3.346 1.00 0.00 H new ATOM 0 HA SER A 2 4.320 23.048 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.245 23.371 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.368 22.045 -4.458 1.00 0.00 H new ATOM 0 HG SER A 2 3.164 21.385 -4.733 1.00 0.00 H new ATOM 21 N ALA A 3 4.713 20.757 -0.907 1.00 0.00 N ATOM 22 CA ALA A 3 5.005 19.483 -0.260 1.00 0.00 C ATOM 23 C ALA A 3 5.064 18.349 -1.279 1.00 0.00 C ATOM 24 O ALA A 3 4.208 18.246 -2.157 1.00 0.00 O ATOM 25 CB ALA A 3 3.964 19.183 0.806 1.00 0.00 C ATOM 0 H ALA A 3 3.835 21.186 -0.615 1.00 0.00 H new ATOM 0 HA ALA A 3 5.983 19.561 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.194 18.229 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.973 19.974 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.977 19.131 0.346 1.00 0.00 H new ATOM 31 N ALA A 4 6.081 17.501 -1.152 1.00 0.00 N ATOM 32 CA ALA A 4 6.257 16.371 -2.058 1.00 0.00 C ATOM 33 C ALA A 4 7.396 15.466 -1.586 1.00 0.00 C ATOM 34 O ALA A 4 7.539 15.218 -0.388 1.00 0.00 O ATOM 35 CB ALA A 4 6.516 16.868 -3.474 1.00 0.00 C ATOM 0 H ALA A 4 6.797 17.576 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 4 5.339 15.783 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.646 16.016 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.669 17.466 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.419 17.479 -3.486 1.00 0.00 H new ATOM 41 N SER A 5 8.202 14.979 -2.532 1.00 0.00 N ATOM 42 CA SER A 5 9.330 14.104 -2.216 1.00 0.00 C ATOM 43 C SER A 5 8.853 12.780 -1.622 1.00 0.00 C ATOM 44 O SER A 5 8.081 12.762 -0.663 1.00 0.00 O ATOM 45 CB SER A 5 10.281 14.792 -1.235 1.00 0.00 C ATOM 46 OG SER A 5 10.769 16.012 -1.766 1.00 0.00 O ATOM 0 H SER A 5 8.093 15.178 -3.526 1.00 0.00 H new ATOM 0 HA SER A 5 9.858 13.897 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.763 14.983 -0.295 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.117 14.130 -1.010 1.00 0.00 H new ATOM 0 HG SER A 5 11.373 16.432 -1.119 1.00 0.00 H new ATOM 52 N PRO A 6 9.312 11.645 -2.180 1.00 0.00 N ATOM 53 CA PRO A 6 8.931 10.319 -1.692 1.00 0.00 C ATOM 54 C PRO A 6 9.565 9.996 -0.345 1.00 0.00 C ATOM 55 O PRO A 6 10.118 10.875 0.317 1.00 0.00 O ATOM 56 CB PRO A 6 9.459 9.358 -2.765 1.00 0.00 C ATOM 57 CG PRO A 6 9.904 10.217 -3.905 1.00 0.00 C ATOM 58 CD PRO A 6 10.236 11.559 -3.318 1.00 0.00 C ATOM 0 HA PRO A 6 7.855 10.248 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.286 8.761 -2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.682 8.662 -3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.772 9.784 -4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.118 10.305 -4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.277 11.617 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.075 12.366 -4.033 1.00 0.00 H new ATOM 66 N ALA A 7 9.486 8.726 0.046 1.00 0.00 N ATOM 67 CA ALA A 7 10.054 8.267 1.310 1.00 0.00 C ATOM 68 C ALA A 7 9.739 9.229 2.442 1.00 0.00 C ATOM 69 O ALA A 7 10.588 9.526 3.281 1.00 0.00 O ATOM 70 CB ALA A 7 11.552 8.071 1.176 1.00 0.00 C ATOM 0 H ALA A 7 9.031 7.993 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 7 9.596 7.309 1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.961 7.729 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.754 7.327 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.019 9.016 0.899 1.00 0.00 H new ATOM 76 N VAL A 8 8.499 9.689 2.462 1.00 0.00 N ATOM 77 CA VAL A 8 8.021 10.589 3.493 1.00 0.00 C ATOM 78 C VAL A 8 7.750 9.792 4.752 1.00 0.00 C ATOM 79 O VAL A 8 6.632 9.736 5.254 1.00 0.00 O ATOM 80 CB VAL A 8 6.760 11.349 3.045 1.00 0.00 C ATOM 81 CG1 VAL A 8 5.644 10.382 2.682 1.00 0.00 C ATOM 82 CG2 VAL A 8 6.309 12.329 4.117 1.00 0.00 C ATOM 0 H VAL A 8 7.797 9.448 1.763 1.00 0.00 H new ATOM 0 HA VAL A 8 8.788 11.338 3.689 1.00 0.00 H new ATOM 0 HB VAL A 8 7.009 11.922 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.764 10.943 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.972 9.737 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.395 9.771 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.416 12.854 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.083 11.786 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.104 13.050 4.308 1.00 0.00 H new ATOM 92 N ASP A 9 8.795 9.119 5.211 1.00 0.00 N ATOM 93 CA ASP A 9 8.714 8.246 6.362 1.00 0.00 C ATOM 94 C ASP A 9 7.984 6.991 5.937 1.00 0.00 C ATOM 95 O ASP A 9 7.793 6.064 6.716 1.00 0.00 O ATOM 96 CB ASP A 9 8.008 8.931 7.528 1.00 0.00 C ATOM 97 CG ASP A 9 8.762 10.147 8.029 1.00 0.00 C ATOM 98 OD1 ASP A 9 9.923 9.991 8.459 1.00 0.00 O ATOM 99 OD2 ASP A 9 8.190 11.258 7.989 1.00 0.00 O ATOM 0 H ASP A 9 9.723 9.166 4.791 1.00 0.00 H new ATOM 0 HA ASP A 9 9.715 7.995 6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.007 9.231 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.888 8.219 8.345 1.00 0.00 H new ATOM 104 N ILE A 10 7.638 7.001 4.650 1.00 0.00 N ATOM 105 CA ILE A 10 6.963 5.935 3.947 1.00 0.00 C ATOM 106 C ILE A 10 5.638 5.495 4.577 1.00 0.00 C ATOM 107 O ILE A 10 4.621 5.431 3.885 1.00 0.00 O ATOM 108 CB ILE A 10 7.910 4.763 3.734 1.00 0.00 C ATOM 109 CG1 ILE A 10 7.595 4.120 2.401 1.00 0.00 C ATOM 110 CG2 ILE A 10 7.822 3.771 4.868 1.00 0.00 C ATOM 111 CD1 ILE A 10 7.594 5.117 1.261 1.00 0.00 C ATOM 0 H ILE A 10 7.836 7.800 4.047 1.00 0.00 H new ATOM 0 HA ILE A 10 6.676 6.343 2.978 1.00 0.00 H new ATOM 0 HB ILE A 10 8.938 5.124 3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.328 3.339 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.620 3.636 2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.511 2.947 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.087 4.264 5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.805 3.385 4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.362 4.603 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.842 5.884 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.576 5.583 1.184 1.00 0.00 H new ATOM 123 N GLY A 11 5.630 5.219 5.871 1.00 0.00 N ATOM 124 CA GLY A 11 4.405 4.830 6.528 1.00 0.00 C ATOM 125 C GLY A 11 3.427 5.954 6.512 1.00 0.00 C ATOM 126 O GLY A 11 2.251 5.779 6.811 1.00 0.00 O ATOM 0 H GLY A 11 6.450 5.258 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.977 3.961 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.614 4.536 7.557 1.00 0.00 H new ATOM 130 N ASP A 12 3.925 7.116 6.148 1.00 0.00 N ATOM 131 CA ASP A 12 3.094 8.286 6.069 1.00 0.00 C ATOM 132 C ASP A 12 2.157 8.151 4.886 1.00 0.00 C ATOM 133 O ASP A 12 0.997 8.553 4.934 1.00 0.00 O ATOM 134 CB ASP A 12 3.965 9.536 5.927 1.00 0.00 C ATOM 135 CG ASP A 12 3.152 10.793 5.673 1.00 0.00 C ATOM 136 OD1 ASP A 12 2.519 10.888 4.602 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.144 11.680 6.552 1.00 0.00 O ATOM 0 H ASP A 12 4.903 7.270 5.903 1.00 0.00 H new ATOM 0 HA ASP A 12 2.505 8.382 6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.555 9.667 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.669 9.392 5.107 1.00 0.00 H new ATOM 142 N ARG A 13 2.685 7.554 3.834 1.00 0.00 N ATOM 143 CA ARG A 13 1.946 7.313 2.620 1.00 0.00 C ATOM 144 C ARG A 13 0.930 6.219 2.856 1.00 0.00 C ATOM 145 O ARG A 13 -0.260 6.342 2.567 1.00 0.00 O ATOM 146 CB ARG A 13 2.956 6.882 1.578 1.00 0.00 C ATOM 147 CG ARG A 13 3.902 7.999 1.211 1.00 0.00 C ATOM 148 CD ARG A 13 4.863 7.598 0.115 1.00 0.00 C ATOM 149 NE ARG A 13 5.565 8.757 -0.437 1.00 0.00 N ATOM 150 CZ ARG A 13 4.953 9.792 -1.012 1.00 0.00 C ATOM 151 NH1 ARG A 13 3.632 9.805 -1.139 1.00 0.00 N ATOM 152 NH2 ARG A 13 5.663 10.818 -1.460 1.00 0.00 N ATOM 0 H ARG A 13 3.649 7.221 3.803 1.00 0.00 H new ATOM 0 HA ARG A 13 1.409 8.203 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.526 6.033 1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.432 6.542 0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.328 8.868 0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.466 8.300 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.588 6.886 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.317 7.090 -0.680 1.00 0.00 H new ATOM 0 HE ARG A 13 6.583 8.774 -0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.079 9.020 -0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.170 10.600 -1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.679 10.816 -1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.194 11.610 -1.900 1.00 0.00 H new ATOM 166 N LEU A 14 1.456 5.162 3.414 1.00 0.00 N ATOM 167 CA LEU A 14 0.724 3.974 3.780 1.00 0.00 C ATOM 168 C LEU A 14 -0.423 4.284 4.722 1.00 0.00 C ATOM 169 O LEU A 14 -1.567 3.898 4.488 1.00 0.00 O ATOM 170 CB LEU A 14 1.735 3.108 4.485 1.00 0.00 C ATOM 171 CG LEU A 14 2.707 2.388 3.564 1.00 0.00 C ATOM 172 CD1 LEU A 14 4.082 2.388 4.182 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.229 0.976 3.285 1.00 0.00 C ATOM 0 H LEU A 14 2.450 5.100 3.637 1.00 0.00 H new ATOM 0 HA LEU A 14 0.282 3.499 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.304 3.728 5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.204 2.366 5.082 1.00 0.00 H new ATOM 0 HG LEU A 14 2.756 2.913 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.778 1.872 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.415 3.415 4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.048 1.877 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.937 0.476 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.156 0.425 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.250 1.011 2.808 1.00 0.00 H new ATOM 185 N ASP A 15 -0.088 4.976 5.795 1.00 0.00 N ATOM 186 CA ASP A 15 -1.056 5.352 6.806 1.00 0.00 C ATOM 187 C ASP A 15 -2.253 6.020 6.154 1.00 0.00 C ATOM 188 O ASP A 15 -3.396 5.641 6.386 1.00 0.00 O ATOM 189 CB ASP A 15 -0.407 6.311 7.801 1.00 0.00 C ATOM 190 CG ASP A 15 -1.196 6.437 9.090 1.00 0.00 C ATOM 191 OD1 ASP A 15 -2.368 6.863 9.029 1.00 0.00 O ATOM 192 OD2 ASP A 15 -0.642 6.109 10.161 1.00 0.00 O ATOM 0 H ASP A 15 0.862 5.293 5.989 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.392 4.458 7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.601 5.965 8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.310 7.295 7.341 1.00 0.00 H new ATOM 197 N GLU A 16 -1.964 7.012 5.328 1.00 0.00 N ATOM 198 CA GLU A 16 -2.992 7.754 4.621 1.00 0.00 C ATOM 199 C GLU A 16 -3.739 6.864 3.638 1.00 0.00 C ATOM 200 O GLU A 16 -4.905 7.100 3.323 1.00 0.00 O ATOM 201 CB GLU A 16 -2.373 8.937 3.883 1.00 0.00 C ATOM 202 CG GLU A 16 -1.622 9.884 4.798 1.00 0.00 C ATOM 203 CD GLU A 16 -1.096 11.107 4.072 1.00 0.00 C ATOM 204 OE1 GLU A 16 -0.290 10.938 3.132 1.00 0.00 O ATOM 205 OE2 GLU A 16 -1.491 12.232 4.441 1.00 0.00 O ATOM 0 H GLU A 16 -1.013 7.324 5.130 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.706 8.121 5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.692 8.564 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.160 9.488 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.282 10.202 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.788 9.353 5.258 1.00 0.00 H new ATOM 212 N LEU A 17 -3.045 5.848 3.152 1.00 0.00 N ATOM 213 CA LEU A 17 -3.607 4.912 2.190 1.00 0.00 C ATOM 214 C LEU A 17 -4.675 4.060 2.837 1.00 0.00 C ATOM 215 O LEU A 17 -5.757 3.862 2.289 1.00 0.00 O ATOM 216 CB LEU A 17 -2.493 4.019 1.631 1.00 0.00 C ATOM 217 CG LEU A 17 -2.887 3.149 0.436 1.00 0.00 C ATOM 218 CD1 LEU A 17 -3.819 3.901 -0.497 1.00 0.00 C ATOM 219 CD2 LEU A 17 -1.645 2.698 -0.313 1.00 0.00 C ATOM 0 H LEU A 17 -2.079 5.648 3.412 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.063 5.476 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.656 4.652 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.136 3.369 2.430 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.415 2.271 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.085 3.262 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.723 4.185 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.320 4.797 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.937 2.079 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.099 3.571 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.007 2.120 0.355 1.00 0.00 H new ATOM 231 N GLU A 18 -4.354 3.573 4.013 1.00 0.00 N ATOM 232 CA GLU A 18 -5.261 2.749 4.784 1.00 0.00 C ATOM 233 C GLU A 18 -6.446 3.560 5.204 1.00 0.00 C ATOM 234 O GLU A 18 -7.579 3.100 5.149 1.00 0.00 O ATOM 235 CB GLU A 18 -4.551 2.208 6.016 1.00 0.00 C ATOM 236 CG GLU A 18 -5.414 1.310 6.880 1.00 0.00 C ATOM 237 CD GLU A 18 -5.768 0.000 6.201 1.00 0.00 C ATOM 238 OE1 GLU A 18 -6.430 0.040 5.142 1.00 0.00 O ATOM 239 OE2 GLU A 18 -5.381 -1.064 6.726 1.00 0.00 O ATOM 0 H GLU A 18 -3.454 3.737 4.465 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.594 1.914 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.669 1.652 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.200 3.046 6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.891 1.100 7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.331 1.838 7.141 1.00 0.00 H new ATOM 246 N LYS A 19 -6.173 4.774 5.620 1.00 0.00 N ATOM 247 CA LYS A 19 -7.219 5.658 6.039 1.00 0.00 C ATOM 248 C LYS A 19 -8.153 5.906 4.877 1.00 0.00 C ATOM 249 O LYS A 19 -9.372 5.965 5.033 1.00 0.00 O ATOM 250 CB LYS A 19 -6.613 6.943 6.549 1.00 0.00 C ATOM 251 CG LYS A 19 -5.630 6.664 7.651 1.00 0.00 C ATOM 252 CD LYS A 19 -6.324 6.501 8.992 1.00 0.00 C ATOM 253 CE LYS A 19 -5.326 6.270 10.115 1.00 0.00 C ATOM 254 NZ LYS A 19 -6.002 6.050 11.423 1.00 0.00 N ATOM 0 H LYS A 19 -5.233 5.166 5.675 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.795 5.212 6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.114 7.465 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.400 7.602 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.069 5.759 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.909 7.479 7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.915 7.391 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.018 5.662 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.706 5.406 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.660 7.129 10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.287 5.896 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.574 6.885 11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.618 5.215 11.359 1.00 0.00 H new ATOM 268 N ALA A 20 -7.555 6.009 3.698 1.00 0.00 N ATOM 269 CA ALA A 20 -8.308 6.204 2.479 1.00 0.00 C ATOM 270 C ALA A 20 -9.167 5.000 2.222 1.00 0.00 C ATOM 271 O ALA A 20 -10.363 5.089 1.953 1.00 0.00 O ATOM 272 CB ALA A 20 -7.358 6.368 1.316 1.00 0.00 C ATOM 0 H ALA A 20 -6.545 5.960 3.566 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.928 7.094 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.928 6.515 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.718 7.233 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.741 5.474 1.221 1.00 0.00 H new ATOM 278 N LEU A 21 -8.507 3.876 2.309 1.00 0.00 N ATOM 279 CA LEU A 21 -9.108 2.601 2.104 1.00 0.00 C ATOM 280 C LEU A 21 -10.253 2.394 3.053 1.00 0.00 C ATOM 281 O LEU A 21 -11.324 1.932 2.669 1.00 0.00 O ATOM 282 CB LEU A 21 -8.044 1.571 2.321 1.00 0.00 C ATOM 283 CG LEU A 21 -7.879 0.589 1.214 1.00 0.00 C ATOM 284 CD1 LEU A 21 -8.861 0.872 0.130 1.00 0.00 C ATOM 285 CD2 LEU A 21 -6.492 0.651 0.673 1.00 0.00 C ATOM 0 H LEU A 21 -7.512 3.829 2.530 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.514 2.525 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.093 2.081 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.269 1.027 3.238 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.060 -0.413 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.733 0.149 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.873 0.797 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.697 1.878 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.384 -0.072 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.294 1.653 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.781 0.417 1.466 1.00 0.00 H new ATOM 297 N GLU A 22 -10.014 2.760 4.293 1.00 0.00 N ATOM 298 CA GLU A 22 -11.018 2.651 5.315 1.00 0.00 C ATOM 299 C GLU A 22 -12.309 3.231 4.802 1.00 0.00 C ATOM 300 O GLU A 22 -13.403 2.779 5.139 1.00 0.00 O ATOM 301 CB GLU A 22 -10.568 3.366 6.582 1.00 0.00 C ATOM 302 CG GLU A 22 -9.515 2.593 7.347 1.00 0.00 C ATOM 303 CD GLU A 22 -10.082 1.384 8.065 1.00 0.00 C ATOM 304 OE1 GLU A 22 -10.973 1.565 8.921 1.00 0.00 O ATOM 305 OE2 GLU A 22 -9.633 0.256 7.770 1.00 0.00 O ATOM 0 H GLU A 22 -9.123 3.138 4.615 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.172 1.601 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.173 4.347 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.431 3.532 7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.736 2.268 6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.042 3.253 8.074 1.00 0.00 H new ATOM 312 N ALA A 23 -12.151 4.222 3.949 1.00 0.00 N ATOM 313 CA ALA A 23 -13.274 4.872 3.327 1.00 0.00 C ATOM 314 C ALA A 23 -13.812 3.996 2.210 1.00 0.00 C ATOM 315 O ALA A 23 -15.014 3.771 2.112 1.00 0.00 O ATOM 316 CB ALA A 23 -12.871 6.235 2.791 1.00 0.00 C ATOM 0 H ALA A 23 -11.243 4.594 3.672 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.057 5.021 4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.733 6.712 2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.512 6.857 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.078 6.116 2.053 1.00 0.00 H new ATOM 322 N LEU A 24 -12.898 3.500 1.373 1.00 0.00 N ATOM 323 CA LEU A 24 -13.266 2.637 0.254 1.00 0.00 C ATOM 324 C LEU A 24 -13.454 1.188 0.667 1.00 0.00 C ATOM 325 O LEU A 24 -13.490 0.305 -0.186 1.00 0.00 O ATOM 326 CB LEU A 24 -12.241 2.709 -0.865 1.00 0.00 C ATOM 327 CG LEU A 24 -12.373 3.943 -1.731 1.00 0.00 C ATOM 328 CD1 LEU A 24 -11.727 5.104 -1.034 1.00 0.00 C ATOM 329 CD2 LEU A 24 -11.769 3.719 -3.094 1.00 0.00 C ATOM 0 H LEU A 24 -11.898 3.683 1.451 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.223 3.014 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.241 2.685 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.338 1.823 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.430 4.162 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.819 5.997 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.220 5.274 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.672 4.886 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.879 4.623 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.711 3.480 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.280 2.892 -3.587 1.00 0.00 H new ATOM 341 N SER A 25 -13.553 0.951 1.963 1.00 0.00 N ATOM 342 CA SER A 25 -13.715 -0.400 2.491 1.00 0.00 C ATOM 343 C SER A 25 -14.794 -1.174 1.737 1.00 0.00 C ATOM 344 O SER A 25 -15.946 -1.236 2.164 1.00 0.00 O ATOM 345 CB SER A 25 -14.050 -0.349 3.978 1.00 0.00 C ATOM 346 OG SER A 25 -15.245 0.377 4.210 1.00 0.00 O ATOM 0 H SER A 25 -13.524 1.679 2.677 1.00 0.00 H new ATOM 0 HA SER A 25 -12.770 -0.924 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.156 -1.363 4.364 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.228 0.115 4.523 1.00 0.00 H new ATOM 0 HG SER A 25 -15.961 0.018 3.645 1.00 0.00 H new ATOM 352 N ALA A 26 -14.399 -1.768 0.614 1.00 0.00 N ATOM 353 CA ALA A 26 -15.312 -2.548 -0.213 1.00 0.00 C ATOM 354 C ALA A 26 -16.555 -1.750 -0.565 1.00 0.00 C ATOM 355 O ALA A 26 -17.660 -2.286 -0.670 1.00 0.00 O ATOM 356 CB ALA A 26 -15.707 -3.800 0.518 1.00 0.00 C ATOM 0 H ALA A 26 -13.445 -1.723 0.255 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.799 -2.804 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.390 -4.383 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.817 -4.392 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.201 -3.535 1.453 1.00 0.00 H new ATOM 362 N GLU A 27 -16.353 -0.465 -0.720 1.00 0.00 N ATOM 363 CA GLU A 27 -17.422 0.472 -1.035 1.00 0.00 C ATOM 364 C GLU A 27 -18.130 0.159 -2.343 1.00 0.00 C ATOM 365 O GLU A 27 -19.345 0.328 -2.449 1.00 0.00 O ATOM 366 CB GLU A 27 -16.849 1.878 -1.060 1.00 0.00 C ATOM 367 CG GLU A 27 -16.585 2.402 0.333 1.00 0.00 C ATOM 368 CD GLU A 27 -17.858 2.727 1.091 1.00 0.00 C ATOM 369 OE1 GLU A 27 -18.954 2.517 0.534 1.00 0.00 O ATOM 370 OE2 GLU A 27 -17.757 3.191 2.246 1.00 0.00 O ATOM 0 H GLU A 27 -15.436 -0.028 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 27 -18.181 0.382 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.921 1.882 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.543 2.544 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.014 1.661 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.968 3.298 0.268 1.00 0.00 H new ATOM 377 N ASP A 28 -17.383 -0.277 -3.344 1.00 0.00 N ATOM 378 CA ASP A 28 -17.980 -0.577 -4.636 1.00 0.00 C ATOM 379 C ASP A 28 -17.070 -1.443 -5.473 1.00 0.00 C ATOM 380 O ASP A 28 -16.764 -1.133 -6.625 1.00 0.00 O ATOM 381 CB ASP A 28 -18.272 0.721 -5.359 1.00 0.00 C ATOM 382 CG ASP A 28 -19.346 0.575 -6.419 1.00 0.00 C ATOM 383 OD1 ASP A 28 -20.467 0.149 -6.073 1.00 0.00 O ATOM 384 OD2 ASP A 28 -19.068 0.890 -7.594 1.00 0.00 O ATOM 0 H ASP A 28 -16.376 -0.430 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.906 -1.129 -4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.583 1.473 -4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.356 1.086 -5.824 1.00 0.00 H new ATOM 389 N GLY A 29 -16.646 -2.530 -4.875 1.00 0.00 N ATOM 390 CA GLY A 29 -15.770 -3.451 -5.550 1.00 0.00 C ATOM 391 C GLY A 29 -14.464 -2.800 -5.923 1.00 0.00 C ATOM 392 O GLY A 29 -14.021 -2.891 -7.069 1.00 0.00 O ATOM 0 H GLY A 29 -16.894 -2.797 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.579 -4.310 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.259 -3.828 -6.448 1.00 0.00 H new ATOM 396 N HIS A 30 -13.850 -2.132 -4.952 1.00 0.00 N ATOM 397 CA HIS A 30 -12.588 -1.456 -5.183 1.00 0.00 C ATOM 398 C HIS A 30 -11.436 -2.450 -5.253 1.00 0.00 C ATOM 399 O HIS A 30 -10.373 -2.228 -4.676 1.00 0.00 O ATOM 400 CB HIS A 30 -12.326 -0.391 -4.113 1.00 0.00 C ATOM 401 CG HIS A 30 -13.202 0.816 -4.267 1.00 0.00 C ATOM 402 ND1 HIS A 30 -14.163 1.342 -3.464 1.00 0.00 N flip ATOM 403 CD2 HIS A 30 -13.145 1.636 -5.374 1.00 0.00 C flip ATOM 404 CE1 HIS A 30 -14.656 2.455 -4.098 1.00 0.00 C flip ATOM 405 NE2 HIS A 30 -14.026 2.611 -5.247 1.00 0.00 N flip ATOM 0 H HIS A 30 -14.209 -2.047 -4.001 1.00 0.00 H new ATOM 0 HA HIS A 30 -12.656 -0.953 -6.147 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.486 -0.827 -3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.281 -0.084 -4.161 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.482 1.501 -6.216 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -15.435 3.100 -3.718 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -14.192 3.358 -5.922 1.00 0.00 H new ATOM 414 N ASP A 31 -11.655 -3.542 -5.978 1.00 0.00 N ATOM 415 CA ASP A 31 -10.638 -4.568 -6.149 1.00 0.00 C ATOM 416 C ASP A 31 -9.389 -3.962 -6.779 1.00 0.00 C ATOM 417 O ASP A 31 -8.299 -4.527 -6.697 1.00 0.00 O ATOM 418 CB ASP A 31 -11.171 -5.700 -7.030 1.00 0.00 C ATOM 419 CG ASP A 31 -12.424 -6.341 -6.465 1.00 0.00 C ATOM 420 OD1 ASP A 31 -12.908 -5.876 -5.412 1.00 0.00 O ATOM 421 OD2 ASP A 31 -12.923 -7.307 -7.077 1.00 0.00 O ATOM 0 H ASP A 31 -12.533 -3.738 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.382 -4.975 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.384 -5.310 -8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.399 -6.461 -7.144 1.00 0.00 H new ATOM 426 N ASP A 32 -9.563 -2.797 -7.398 1.00 0.00 N ATOM 427 CA ASP A 32 -8.460 -2.092 -8.036 1.00 0.00 C ATOM 428 C ASP A 32 -7.488 -1.616 -6.989 1.00 0.00 C ATOM 429 O ASP A 32 -6.290 -1.502 -7.231 1.00 0.00 O ATOM 430 CB ASP A 32 -8.974 -0.908 -8.860 1.00 0.00 C ATOM 431 CG ASP A 32 -9.957 -1.330 -9.933 1.00 0.00 C ATOM 432 OD1 ASP A 32 -11.035 -1.850 -9.579 1.00 0.00 O ATOM 433 OD2 ASP A 32 -9.649 -1.141 -11.127 1.00 0.00 O ATOM 0 H ASP A 32 -10.462 -2.321 -7.470 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.952 -2.779 -8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.453 -0.188 -8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.130 -0.400 -9.325 1.00 0.00 H new ATOM 438 N VAL A 33 -8.016 -1.348 -5.820 1.00 0.00 N ATOM 439 CA VAL A 33 -7.211 -0.897 -4.725 1.00 0.00 C ATOM 440 C VAL A 33 -6.256 -1.988 -4.278 1.00 0.00 C ATOM 441 O VAL A 33 -5.066 -1.748 -4.096 1.00 0.00 O ATOM 442 CB VAL A 33 -8.092 -0.492 -3.558 1.00 0.00 C ATOM 443 CG1 VAL A 33 -7.242 0.009 -2.408 1.00 0.00 C ATOM 444 CG2 VAL A 33 -9.091 0.551 -4.010 1.00 0.00 C ATOM 0 H VAL A 33 -9.010 -1.437 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.634 -0.035 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.647 -1.360 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.887 0.296 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.564 -0.781 -2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.663 0.873 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.722 0.839 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.559 1.427 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.712 0.139 -4.805 1.00 0.00 H new ATOM 454 N GLY A 34 -6.792 -3.192 -4.112 1.00 0.00 N ATOM 455 CA GLY A 34 -5.977 -4.313 -3.702 1.00 0.00 C ATOM 456 C GLY A 34 -4.990 -4.702 -4.769 1.00 0.00 C ATOM 457 O GLY A 34 -3.896 -5.171 -4.469 1.00 0.00 O ATOM 0 H GLY A 34 -7.778 -3.409 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.442 -4.059 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.618 -5.164 -3.471 1.00 0.00 H new ATOM 461 N GLN A 35 -5.374 -4.505 -6.023 1.00 0.00 N ATOM 462 CA GLN A 35 -4.502 -4.833 -7.133 1.00 0.00 C ATOM 463 C GLN A 35 -3.272 -3.952 -7.078 1.00 0.00 C ATOM 464 O GLN A 35 -2.157 -4.395 -7.349 1.00 0.00 O ATOM 465 CB GLN A 35 -5.240 -4.679 -8.468 1.00 0.00 C ATOM 466 CG GLN A 35 -5.063 -3.325 -9.137 1.00 0.00 C ATOM 467 CD GLN A 35 -5.727 -3.243 -10.502 1.00 0.00 C ATOM 468 OE1 GLN A 35 -6.292 -4.356 -10.962 1.00 0.00 O flip ATOM 469 NE2 GLN A 35 -5.726 -2.191 -11.139 1.00 0.00 N flip ATOM 0 H GLN A 35 -6.280 -4.121 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.192 -5.875 -7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.894 -5.455 -9.151 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.303 -4.851 -8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.477 -2.550 -8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.999 -3.116 -9.244 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.281 -1.360 -10.750 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.170 -2.150 -12.056 1.00 0.00 H new ATOM 478 N ARG A 36 -3.485 -2.711 -6.676 1.00 0.00 N ATOM 479 CA ARG A 36 -2.412 -1.766 -6.526 1.00 0.00 C ATOM 480 C ARG A 36 -1.645 -2.122 -5.272 1.00 0.00 C ATOM 481 O ARG A 36 -0.423 -2.223 -5.275 1.00 0.00 O ATOM 482 CB ARG A 36 -2.962 -0.345 -6.422 1.00 0.00 C ATOM 483 CG ARG A 36 -3.802 0.068 -7.612 1.00 0.00 C ATOM 484 CD ARG A 36 -2.932 0.232 -8.835 1.00 0.00 C ATOM 485 NE ARG A 36 -3.711 0.527 -10.036 1.00 0.00 N ATOM 486 CZ ARG A 36 -3.170 0.735 -11.233 1.00 0.00 C ATOM 487 NH1 ARG A 36 -1.853 0.681 -11.388 1.00 0.00 N ATOM 488 NH2 ARG A 36 -3.944 0.997 -12.276 1.00 0.00 N ATOM 0 H ARG A 36 -4.407 -2.339 -6.447 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.755 -1.807 -7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.564 -0.263 -5.517 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.130 0.351 -6.316 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.570 -0.682 -7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.317 1.004 -7.395 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.216 1.035 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.356 -0.680 -8.993 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.726 0.576 -9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.253 0.480 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.441 0.841 -12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.957 1.039 -12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.527 1.156 -13.193 1.00 0.00 H new ATOM 502 N LEU A 37 -2.404 -2.337 -4.207 1.00 0.00 N ATOM 503 CA LEU A 37 -1.876 -2.709 -2.922 1.00 0.00 C ATOM 504 C LEU A 37 -0.939 -3.897 -3.019 1.00 0.00 C ATOM 505 O LEU A 37 0.120 -3.928 -2.395 1.00 0.00 O ATOM 506 CB LEU A 37 -3.041 -3.027 -2.022 1.00 0.00 C ATOM 507 CG LEU A 37 -3.518 -1.840 -1.224 1.00 0.00 C ATOM 508 CD1 LEU A 37 -4.730 -2.185 -0.375 1.00 0.00 C ATOM 509 CD2 LEU A 37 -2.381 -1.320 -0.360 1.00 0.00 C ATOM 0 H LEU A 37 -3.420 -2.254 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.290 -1.883 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.866 -3.405 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.755 -3.825 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.828 -1.059 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.044 -1.304 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.544 -2.514 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.472 -2.984 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.726 -0.462 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.052 -2.106 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.549 -1.019 -0.996 1.00 0.00 H new ATOM 521 N GLU A 38 -1.349 -4.877 -3.803 1.00 0.00 N ATOM 522 CA GLU A 38 -0.570 -6.080 -3.992 1.00 0.00 C ATOM 523 C GLU A 38 0.619 -5.804 -4.875 1.00 0.00 C ATOM 524 O GLU A 38 1.754 -6.116 -4.533 1.00 0.00 O ATOM 525 CB GLU A 38 -1.451 -7.158 -4.605 1.00 0.00 C ATOM 526 CG GLU A 38 -0.954 -8.570 -4.353 1.00 0.00 C ATOM 527 CD GLU A 38 -1.803 -9.618 -5.043 1.00 0.00 C ATOM 528 OE1 GLU A 38 -1.891 -9.585 -6.288 1.00 0.00 O ATOM 529 OE2 GLU A 38 -2.381 -10.473 -4.338 1.00 0.00 O ATOM 0 H GLU A 38 -2.227 -4.859 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.200 -6.425 -3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.460 -7.061 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.517 -6.992 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.076 -8.656 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.946 -8.763 -3.280 1.00 0.00 H new ATOM 536 N SER A 39 0.337 -5.196 -6.004 1.00 0.00 N ATOM 537 CA SER A 39 1.379 -4.835 -6.959 1.00 0.00 C ATOM 538 C SER A 39 2.518 -4.136 -6.232 1.00 0.00 C ATOM 539 O SER A 39 3.688 -4.433 -6.454 1.00 0.00 O ATOM 540 CB SER A 39 0.822 -3.921 -8.051 1.00 0.00 C ATOM 541 OG SER A 39 -0.138 -4.594 -8.845 1.00 0.00 O ATOM 0 H SER A 39 -0.607 -4.937 -6.291 1.00 0.00 H new ATOM 0 HA SER A 39 1.750 -5.746 -7.429 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.368 -3.041 -7.595 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.637 -3.568 -8.683 1.00 0.00 H new ATOM 0 HG SER A 39 -0.934 -4.783 -8.305 1.00 0.00 H new ATOM 547 N LEU A 40 2.156 -3.218 -5.345 1.00 0.00 N ATOM 548 CA LEU A 40 3.112 -2.482 -4.561 1.00 0.00 C ATOM 549 C LEU A 40 4.051 -3.421 -3.836 1.00 0.00 C ATOM 550 O LEU A 40 5.271 -3.302 -3.933 1.00 0.00 O ATOM 551 CB LEU A 40 2.367 -1.626 -3.548 1.00 0.00 C ATOM 552 CG LEU A 40 1.524 -0.501 -4.142 1.00 0.00 C ATOM 553 CD1 LEU A 40 0.959 0.371 -3.036 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.344 0.323 -5.115 1.00 0.00 C ATOM 0 H LEU A 40 1.185 -2.970 -5.156 1.00 0.00 H new ATOM 0 HA LEU A 40 3.703 -1.852 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.717 -2.272 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.092 -1.191 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 40 0.692 -0.941 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.360 1.170 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.334 -0.234 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.777 0.804 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.726 1.120 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.197 0.758 -4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.700 -0.316 -5.923 1.00 0.00 H new ATOM 566 N LEU A 41 3.466 -4.346 -3.096 1.00 0.00 N ATOM 567 CA LEU A 41 4.236 -5.306 -2.331 1.00 0.00 C ATOM 568 C LEU A 41 4.981 -6.292 -3.194 1.00 0.00 C ATOM 569 O LEU A 41 6.181 -6.453 -3.056 1.00 0.00 O ATOM 570 CB LEU A 41 3.334 -6.073 -1.424 1.00 0.00 C ATOM 571 CG LEU A 41 3.303 -5.581 0.013 1.00 0.00 C ATOM 572 CD1 LEU A 41 2.451 -6.507 0.848 1.00 0.00 C ATOM 573 CD2 LEU A 41 4.704 -5.505 0.591 1.00 0.00 C ATOM 0 H LEU A 41 2.455 -4.451 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 41 4.969 -4.728 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.322 -6.037 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.642 -7.119 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 41 2.874 -4.579 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.430 -6.152 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.436 -6.526 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.871 -7.513 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.654 -5.150 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.160 -6.495 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.305 -4.816 -0.002 1.00 0.00 H new ATOM 585 N ARG A 42 4.271 -6.981 -4.065 1.00 0.00 N ATOM 586 CA ARG A 42 4.919 -7.960 -4.907 1.00 0.00 C ATOM 587 C ARG A 42 6.150 -7.347 -5.538 1.00 0.00 C ATOM 588 O ARG A 42 7.129 -8.034 -5.820 1.00 0.00 O ATOM 589 CB ARG A 42 3.964 -8.496 -5.973 1.00 0.00 C ATOM 590 CG ARG A 42 2.935 -9.462 -5.419 1.00 0.00 C ATOM 591 CD ARG A 42 3.604 -10.719 -4.886 1.00 0.00 C ATOM 592 NE ARG A 42 4.188 -11.520 -5.956 1.00 0.00 N ATOM 593 CZ ARG A 42 4.797 -12.684 -5.755 1.00 0.00 C ATOM 594 NH1 ARG A 42 4.885 -13.186 -4.530 1.00 0.00 N ATOM 595 NH2 ARG A 42 5.316 -13.348 -6.778 1.00 0.00 N ATOM 0 H ARG A 42 3.265 -6.883 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 42 5.220 -8.808 -4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.450 -7.659 -6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.541 -8.996 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.370 -8.980 -4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.222 -9.728 -6.200 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.382 -10.442 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.872 -11.317 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 42 4.126 -11.167 -6.911 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.485 -12.678 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.353 -14.080 -4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.248 -12.966 -7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.783 -14.241 -6.622 1.00 0.00 H new ATOM 609 N ARG A 43 6.104 -6.036 -5.706 1.00 0.00 N ATOM 610 CA ARG A 43 7.224 -5.304 -6.242 1.00 0.00 C ATOM 611 C ARG A 43 8.160 -4.941 -5.102 1.00 0.00 C ATOM 612 O ARG A 43 9.377 -4.887 -5.265 1.00 0.00 O ATOM 613 CB ARG A 43 6.768 -4.048 -6.988 1.00 0.00 C ATOM 614 CG ARG A 43 5.903 -4.337 -8.205 1.00 0.00 C ATOM 615 CD ARG A 43 6.605 -5.256 -9.193 1.00 0.00 C ATOM 616 NE ARG A 43 7.855 -4.682 -9.684 1.00 0.00 N ATOM 617 CZ ARG A 43 8.655 -5.293 -10.553 1.00 0.00 C ATOM 618 NH1 ARG A 43 8.339 -6.492 -11.025 1.00 0.00 N ATOM 619 NH2 ARG A 43 9.775 -4.705 -10.950 1.00 0.00 N ATOM 0 H ARG A 43 5.295 -5.460 -5.475 1.00 0.00 H new ATOM 0 HA ARG A 43 7.746 -5.932 -6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.211 -3.411 -6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.646 -3.485 -7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.967 -4.795 -7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.647 -3.400 -8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.810 -6.214 -8.714 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.943 -5.456 -10.035 1.00 0.00 H new ATOM 0 HE ARG A 43 8.130 -3.761 -9.341 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.479 -6.949 -10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.956 -6.957 -11.691 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.023 -3.784 -10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.389 -5.174 -11.617 1.00 0.00 H new ATOM 633 N TRP A 44 7.563 -4.705 -3.935 1.00 0.00 N ATOM 634 CA TRP A 44 8.296 -4.363 -2.739 1.00 0.00 C ATOM 635 C TRP A 44 9.042 -5.575 -2.182 1.00 0.00 C ATOM 636 O TRP A 44 10.270 -5.575 -2.091 1.00 0.00 O ATOM 637 CB TRP A 44 7.325 -3.844 -1.697 1.00 0.00 C ATOM 638 CG TRP A 44 8.006 -3.424 -0.452 1.00 0.00 C ATOM 639 CD1 TRP A 44 7.781 -3.936 0.772 1.00 0.00 C ATOM 640 CD2 TRP A 44 9.015 -2.418 -0.302 1.00 0.00 C ATOM 641 NE1 TRP A 44 8.566 -3.300 1.704 1.00 0.00 N ATOM 642 CE2 TRP A 44 9.335 -2.364 1.063 1.00 0.00 C ATOM 643 CE3 TRP A 44 9.677 -1.549 -1.179 1.00 0.00 C ATOM 644 CZ2 TRP A 44 10.281 -1.481 1.568 1.00 0.00 C ATOM 645 CZ3 TRP A 44 10.608 -0.674 -0.659 1.00 0.00 C ATOM 646 CH2 TRP A 44 10.897 -0.645 0.688 1.00 0.00 C ATOM 0 H TRP A 44 6.553 -4.748 -3.802 1.00 0.00 H new ATOM 0 HA TRP A 44 9.031 -3.597 -2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.772 -3.000 -2.108 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.596 -4.620 -1.465 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.084 -4.732 0.990 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.575 -3.493 2.706 1.00 0.00 H new ATOM 0 HE3 TRP A 44 9.463 -1.564 -2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.519 -1.459 2.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 11.123 0.004 -1.323 1.00 0.00 H new ATOM 0 HH2 TRP A 44 11.630 0.058 1.054 1.00 0.00 H new ATOM 657 N ASN A 45 8.282 -6.605 -1.810 1.00 0.00 N ATOM 658 CA ASN A 45 8.843 -7.828 -1.258 1.00 0.00 C ATOM 659 C ASN A 45 9.877 -8.446 -2.184 1.00 0.00 C ATOM 660 O ASN A 45 10.890 -8.986 -1.738 1.00 0.00 O ATOM 661 CB ASN A 45 7.715 -8.821 -0.993 1.00 0.00 C ATOM 662 CG ASN A 45 6.880 -8.450 0.204 1.00 0.00 C ATOM 663 OD1 ASN A 45 5.622 -8.134 -0.049 1.00 0.00 O flip ATOM 664 ND2 ASN A 45 7.360 -8.438 1.338 1.00 0.00 N flip ATOM 0 H ASN A 45 7.265 -6.611 -1.884 1.00 0.00 H new ATOM 0 HA ASN A 45 9.351 -7.580 -0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.074 -8.880 -1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.139 -9.814 -0.841 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.338 -8.691 1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.780 -8.176 2.135 1.00 0.00 H new ATOM 671 N SER A 46 9.604 -8.369 -3.469 1.00 0.00 N ATOM 672 CA SER A 46 10.495 -8.926 -4.480 1.00 0.00 C ATOM 673 C SER A 46 11.867 -8.263 -4.435 1.00 0.00 C ATOM 674 O SER A 46 12.894 -8.942 -4.445 1.00 0.00 O ATOM 675 CB SER A 46 9.878 -8.761 -5.864 1.00 0.00 C ATOM 676 OG SER A 46 10.711 -9.315 -6.867 1.00 0.00 O ATOM 0 H SER A 46 8.767 -7.924 -3.846 1.00 0.00 H new ATOM 0 HA SER A 46 10.628 -9.987 -4.268 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.902 -9.246 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.714 -7.703 -6.068 1.00 0.00 H new ATOM 0 HG SER A 46 10.290 -9.196 -7.744 1.00 0.00 H new ATOM 682 N ARG A 47 11.882 -6.935 -4.378 1.00 0.00 N ATOM 683 CA ARG A 47 13.132 -6.190 -4.322 1.00 0.00 C ATOM 684 C ARG A 47 13.914 -6.567 -3.077 1.00 0.00 C ATOM 685 O ARG A 47 15.142 -6.654 -3.103 1.00 0.00 O ATOM 686 CB ARG A 47 12.852 -4.695 -4.340 1.00 0.00 C ATOM 687 CG ARG A 47 12.207 -4.225 -5.629 1.00 0.00 C ATOM 688 CD ARG A 47 11.710 -2.803 -5.498 1.00 0.00 C ATOM 689 NE ARG A 47 11.114 -2.303 -6.735 1.00 0.00 N ATOM 690 CZ ARG A 47 11.784 -2.161 -7.876 1.00 0.00 C ATOM 691 NH1 ARG A 47 13.072 -2.472 -7.940 1.00 0.00 N ATOM 692 NH2 ARG A 47 11.164 -1.704 -8.955 1.00 0.00 N ATOM 0 H ARG A 47 11.043 -6.355 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 47 13.731 -6.443 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.201 -4.443 -3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.787 -4.155 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.927 -4.289 -6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.376 -4.882 -5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.973 -2.751 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.539 -2.157 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 47 10.126 -2.048 -6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.554 -2.822 -7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.580 -2.361 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.174 -1.462 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.677 -1.595 -9.830 1.00 0.00 H new ATOM 706 N ARG A 48 13.189 -6.809 -1.994 1.00 0.00 N ATOM 707 CA ARG A 48 13.804 -7.203 -0.737 1.00 0.00 C ATOM 708 C ARG A 48 14.677 -8.427 -0.954 1.00 0.00 C ATOM 709 O ARG A 48 15.853 -8.448 -0.588 1.00 0.00 O ATOM 710 CB ARG A 48 12.720 -7.515 0.290 1.00 0.00 C ATOM 711 CG ARG A 48 11.938 -6.293 0.742 1.00 0.00 C ATOM 712 CD ARG A 48 10.773 -6.679 1.636 1.00 0.00 C ATOM 713 NE ARG A 48 11.209 -7.392 2.834 1.00 0.00 N ATOM 714 CZ ARG A 48 10.376 -7.841 3.768 1.00 0.00 C ATOM 715 NH1 ARG A 48 9.070 -7.644 3.647 1.00 0.00 N ATOM 716 NH2 ARG A 48 10.848 -8.486 4.826 1.00 0.00 N ATOM 0 H ARG A 48 12.172 -6.739 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 48 14.422 -6.385 -0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.028 -8.242 -0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 48 13.180 -7.983 1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.600 -5.613 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.567 -5.754 -0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.228 -5.781 1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.079 -7.305 1.075 1.00 0.00 H new ATOM 0 HE ARG A 48 12.208 -7.554 2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.702 -7.147 2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.433 -7.990 4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 48 11.852 -8.638 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.207 -8.830 5.541 1.00 0.00 H new ATOM 730 N ALA A 49 14.082 -9.437 -1.567 1.00 0.00 N ATOM 731 CA ALA A 49 14.778 -10.680 -1.868 1.00 0.00 C ATOM 732 C ALA A 49 16.001 -10.426 -2.731 1.00 0.00 C ATOM 733 O ALA A 49 17.026 -11.095 -2.595 1.00 0.00 O ATOM 734 CB ALA A 49 13.834 -11.657 -2.555 1.00 0.00 C ATOM 0 H ALA A 49 13.108 -9.420 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 49 15.116 -11.118 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.366 -12.583 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.990 -11.870 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.469 -11.218 -3.484 1.00 0.00 H new ATOM 740 N ASP A 50 15.882 -9.452 -3.616 1.00 0.00 N ATOM 741 CA ASP A 50 16.972 -9.090 -4.514 1.00 0.00 C ATOM 742 C ASP A 50 18.140 -8.487 -3.740 1.00 0.00 C ATOM 743 O ASP A 50 18.261 -7.267 -3.628 1.00 0.00 O ATOM 744 CB ASP A 50 16.482 -8.105 -5.577 1.00 0.00 C ATOM 745 CG ASP A 50 17.580 -7.698 -6.540 1.00 0.00 C ATOM 746 OD1 ASP A 50 18.172 -8.594 -7.177 1.00 0.00 O ATOM 747 OD2 ASP A 50 17.846 -6.485 -6.660 1.00 0.00 O ATOM 0 H ASP A 50 15.037 -8.893 -3.735 1.00 0.00 H new ATOM 0 HA ASP A 50 17.319 -9.998 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.662 -8.556 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 50 16.084 -7.216 -5.088 1.00 0.00 H new ATOM 752 N ALA A 51 18.998 -9.351 -3.205 1.00 0.00 N ATOM 753 CA ALA A 51 20.157 -8.906 -2.441 1.00 0.00 C ATOM 754 C ALA A 51 21.171 -10.036 -2.268 1.00 0.00 C ATOM 755 O ALA A 51 20.807 -11.162 -1.932 1.00 0.00 O ATOM 756 CB ALA A 51 19.722 -8.373 -1.085 1.00 0.00 C ATOM 0 H ALA A 51 18.911 -10.364 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 51 20.640 -8.103 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 51 20.598 -8.044 -0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 51 19.044 -7.531 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 51 19.212 -9.161 -0.531 1.00 0.00 H new ATOM 762 N PRO A 52 22.464 -9.745 -2.501 1.00 0.00 N ATOM 763 CA PRO A 52 23.537 -10.739 -2.372 1.00 0.00 C ATOM 764 C PRO A 52 23.700 -11.239 -0.941 1.00 0.00 C ATOM 765 O PRO A 52 23.656 -10.460 0.010 1.00 0.00 O ATOM 766 CB PRO A 52 24.791 -9.982 -2.821 1.00 0.00 C ATOM 767 CG PRO A 52 24.457 -8.541 -2.647 1.00 0.00 C ATOM 768 CD PRO A 52 22.981 -8.427 -2.907 1.00 0.00 C ATOM 0 HA PRO A 52 23.331 -11.632 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 52 25.657 -10.261 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.037 -10.207 -3.859 1.00 0.00 H new ATOM 0 HG2 PRO A 52 24.704 -8.201 -1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.025 -7.922 -3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 52 22.531 -7.622 -2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 52 22.772 -8.218 -3.956 1.00 0.00 H new ATOM 776 N SER A 53 23.891 -12.548 -0.799 1.00 0.00 N ATOM 777 CA SER A 53 24.064 -13.162 0.513 1.00 0.00 C ATOM 778 C SER A 53 25.280 -12.584 1.230 1.00 0.00 C ATOM 779 O SER A 53 26.302 -12.295 0.607 1.00 0.00 O ATOM 780 CB SER A 53 24.215 -14.678 0.373 1.00 0.00 C ATOM 781 OG SER A 53 25.341 -15.009 -0.420 1.00 0.00 O ATOM 0 H SER A 53 23.930 -13.205 -1.579 1.00 0.00 H new ATOM 0 HA SER A 53 23.177 -12.944 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 53 24.317 -15.129 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 53 23.314 -15.096 -0.077 1.00 0.00 H new ATOM 0 HG SER A 53 25.415 -15.984 -0.492 1.00 0.00 H new ATOM 787 N THR A 54 25.161 -12.417 2.545 1.00 0.00 N ATOM 788 CA THR A 54 26.250 -11.872 3.348 1.00 0.00 C ATOM 789 C THR A 54 26.008 -12.107 4.836 1.00 0.00 C ATOM 790 O THR A 54 26.931 -12.449 5.576 1.00 0.00 O ATOM 791 CB THR A 54 26.437 -10.363 3.096 1.00 0.00 C ATOM 792 OG1 THR A 54 27.477 -9.851 3.937 1.00 0.00 O ATOM 793 CG2 THR A 54 25.145 -9.603 3.359 1.00 0.00 C ATOM 0 H THR A 54 24.322 -12.651 3.076 1.00 0.00 H new ATOM 0 HA THR A 54 27.157 -12.395 3.046 1.00 0.00 H new ATOM 0 HB THR A 54 26.713 -10.225 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 54 27.591 -8.892 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 54 25.304 -8.541 3.174 1.00 0.00 H new ATOM 0 HG22 THR A 54 24.363 -9.974 2.696 1.00 0.00 H new ATOM 0 HG23 THR A 54 24.841 -9.749 4.396 1.00 0.00 H new ATOM 801 N SER A 55 24.762 -11.925 5.267 1.00 0.00 N ATOM 802 CA SER A 55 24.399 -12.120 6.667 1.00 0.00 C ATOM 803 C SER A 55 22.888 -12.259 6.822 1.00 0.00 C ATOM 804 O SER A 55 22.405 -13.188 7.470 1.00 0.00 O ATOM 805 CB SER A 55 24.898 -10.948 7.518 1.00 0.00 C ATOM 806 OG SER A 55 26.310 -10.839 7.467 1.00 0.00 O ATOM 0 H SER A 55 23.987 -11.643 4.666 1.00 0.00 H new ATOM 0 HA SER A 55 24.873 -13.039 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 55 24.447 -10.021 7.164 1.00 0.00 H new ATOM 0 HB3 SER A 55 24.579 -11.084 8.551 1.00 0.00 H new ATOM 0 HG SER A 55 26.686 -11.647 7.058 1.00 0.00 H new ATOM 812 N ALA A 56 22.148 -11.331 6.221 1.00 0.00 N ATOM 813 CA ALA A 56 20.690 -11.348 6.290 1.00 0.00 C ATOM 814 C ALA A 56 20.209 -11.392 7.737 1.00 0.00 C ATOM 815 O ALA A 56 19.297 -12.147 8.077 1.00 0.00 O ATOM 816 CB ALA A 56 20.139 -12.533 5.510 1.00 0.00 C ATOM 0 H ALA A 56 22.535 -10.557 5.680 1.00 0.00 H new ATOM 0 HA ALA A 56 20.318 -10.427 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 56 19.051 -12.534 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 56 20.445 -12.456 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.526 -13.459 5.934 1.00 0.00 H new ATOM 822 N ILE A 57 20.828 -10.578 8.586 1.00 0.00 N ATOM 823 CA ILE A 57 20.467 -10.524 9.999 1.00 0.00 C ATOM 824 C ILE A 57 19.018 -10.079 10.178 1.00 0.00 C ATOM 825 O ILE A 57 18.577 -9.106 9.567 1.00 0.00 O ATOM 826 CB ILE A 57 21.389 -9.565 10.778 1.00 0.00 C ATOM 827 CG1 ILE A 57 22.851 -9.998 10.640 1.00 0.00 C ATOM 828 CG2 ILE A 57 20.982 -9.506 12.244 1.00 0.00 C ATOM 829 CD1 ILE A 57 23.125 -11.388 11.172 1.00 0.00 C ATOM 0 H ILE A 57 21.583 -9.946 8.320 1.00 0.00 H new ATOM 0 HA ILE A 57 20.586 -11.532 10.396 1.00 0.00 H new ATOM 0 HB ILE A 57 21.286 -8.566 10.354 1.00 0.00 H new ATOM 0 HG12 ILE A 57 23.135 -9.958 9.588 1.00 0.00 H new ATOM 0 HG13 ILE A 57 23.484 -9.285 11.168 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.644 -8.824 12.778 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.955 -9.150 12.322 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.056 -10.501 12.682 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.180 -11.626 11.041 1.00 0.00 H new ATOM 0 HD12 ILE A 57 22.873 -11.428 12.232 1.00 0.00 H new ATOM 0 HD13 ILE A 57 22.519 -12.112 10.627 1.00 0.00 H new ATOM 841 N SER A 58 18.285 -10.800 11.022 1.00 0.00 N ATOM 842 CA SER A 58 16.886 -10.482 11.285 1.00 0.00 C ATOM 843 C SER A 58 16.757 -9.119 11.958 1.00 0.00 C ATOM 844 O SER A 58 17.519 -8.791 12.868 1.00 0.00 O ATOM 845 CB SER A 58 16.253 -11.561 12.166 1.00 0.00 C ATOM 846 OG SER A 58 16.306 -12.829 11.536 1.00 0.00 O ATOM 0 H SER A 58 18.637 -11.608 11.535 1.00 0.00 H new ATOM 0 HA SER A 58 16.360 -10.448 10.331 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.773 -11.605 13.123 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.216 -11.300 12.378 1.00 0.00 H new ATOM 0 HG SER A 58 15.897 -13.502 12.120 1.00 0.00 H new ATOM 852 N GLU A 59 15.788 -8.329 11.505 1.00 0.00 N ATOM 853 CA GLU A 59 15.558 -7.001 12.064 1.00 0.00 C ATOM 854 C GLU A 59 15.226 -7.087 13.549 1.00 0.00 C ATOM 855 O GLU A 59 14.421 -7.920 13.968 1.00 0.00 O ATOM 856 CB GLU A 59 14.424 -6.299 11.314 1.00 0.00 C ATOM 857 CG GLU A 59 14.163 -4.880 11.795 1.00 0.00 C ATOM 858 CD GLU A 59 13.021 -4.215 11.052 1.00 0.00 C ATOM 859 OE1 GLU A 59 11.879 -4.708 11.153 1.00 0.00 O ATOM 860 OE2 GLU A 59 13.270 -3.201 10.367 1.00 0.00 O ATOM 0 H GLU A 59 15.149 -8.586 10.752 1.00 0.00 H new ATOM 0 HA GLU A 59 16.474 -6.421 11.949 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.663 -6.275 10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.511 -6.884 11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.937 -4.897 12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.068 -4.286 11.670 1.00 0.00 H new ATOM 867 N ASP A 60 15.850 -6.220 14.341 1.00 0.00 N ATOM 868 CA ASP A 60 15.621 -6.197 15.782 1.00 0.00 C ATOM 869 C ASP A 60 14.163 -5.877 16.093 1.00 0.00 C ATOM 870 O ASP A 60 13.734 -4.737 15.810 1.00 0.00 O ATOM 871 CB ASP A 60 16.538 -5.167 16.448 1.00 0.00 C ATOM 872 CG ASP A 60 16.402 -5.154 17.959 1.00 0.00 C ATOM 873 OD1 ASP A 60 15.622 -5.968 18.496 1.00 0.00 O ATOM 874 OD2 ASP A 60 17.082 -4.330 18.607 1.00 0.00 O ATOM 875 OXT ASP A 60 13.461 -6.767 16.616 1.00 0.00 O ATOM 0 H ASP A 60 16.518 -5.524 14.009 1.00 0.00 H new ATOM 0 HA ASP A 60 15.850 -7.186 16.180 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.573 -5.382 16.182 1.00 0.00 H new ATOM 0 HB3 ASP A 60 16.308 -4.176 16.058 1.00 0.00 H new TER 880 ASP A 60 ATOM 881 N GLY B 1 -9.198 24.467 3.430 1.00 0.00 N ATOM 882 CA GLY B 1 -8.319 24.888 2.305 1.00 0.00 C ATOM 883 C GLY B 1 -7.170 23.928 2.076 1.00 0.00 C ATOM 884 O GLY B 1 -6.874 23.562 0.937 1.00 0.00 O ATOM 0 H1 GLY B 1 -9.968 25.156 3.546 1.00 0.00 H new ATOM 0 H2 GLY B 1 -9.600 23.530 3.225 1.00 0.00 H new ATOM 0 H3 GLY B 1 -8.641 24.420 4.307 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -8.912 24.964 1.394 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -7.922 25.882 2.511 1.00 0.00 H new ATOM 890 N SER B 2 -6.518 23.518 3.160 1.00 0.00 N ATOM 891 CA SER B 2 -5.394 22.593 3.075 1.00 0.00 C ATOM 892 C SER B 2 -5.830 21.258 2.479 1.00 0.00 C ATOM 893 O SER B 2 -6.857 20.700 2.867 1.00 0.00 O ATOM 894 CB SER B 2 -4.784 22.371 4.460 1.00 0.00 C ATOM 895 OG SER B 2 -3.689 21.473 4.397 1.00 0.00 O ATOM 0 H SER B 2 -6.750 23.813 4.109 1.00 0.00 H new ATOM 0 HA SER B 2 -4.642 23.034 2.420 1.00 0.00 H new ATOM 0 HB2 SER B 2 -4.453 23.324 4.872 1.00 0.00 H new ATOM 0 HB3 SER B 2 -5.543 21.977 5.136 1.00 0.00 H new ATOM 0 HG SER B 2 -3.316 21.349 5.295 1.00 0.00 H new ATOM 901 N ALA B 3 -5.043 20.752 1.535 1.00 0.00 N ATOM 902 CA ALA B 3 -5.345 19.482 0.886 1.00 0.00 C ATOM 903 C ALA B 3 -5.333 18.336 1.891 1.00 0.00 C ATOM 904 O ALA B 3 -4.416 18.224 2.706 1.00 0.00 O ATOM 905 CB ALA B 3 -4.355 19.214 -0.237 1.00 0.00 C ATOM 0 H ALA B 3 -4.191 21.203 1.202 1.00 0.00 H new ATOM 0 HA ALA B 3 -6.347 19.548 0.462 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -4.593 18.262 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -4.417 20.014 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -3.345 19.173 0.170 1.00 0.00 H new ATOM 911 N ALA B 4 -6.355 17.487 1.827 1.00 0.00 N ATOM 912 CA ALA B 4 -6.464 16.347 2.731 1.00 0.00 C ATOM 913 C ALA B 4 -7.645 15.457 2.349 1.00 0.00 C ATOM 914 O ALA B 4 -7.897 15.224 1.166 1.00 0.00 O ATOM 915 CB ALA B 4 -6.599 16.829 4.169 1.00 0.00 C ATOM 0 H ALA B 4 -7.120 17.568 1.157 1.00 0.00 H new ATOM 0 HA ALA B 4 -5.555 15.752 2.645 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -6.680 15.970 4.835 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -5.722 17.417 4.440 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -7.492 17.446 4.263 1.00 0.00 H new ATOM 921 N SER B 5 -8.366 14.963 3.358 1.00 0.00 N ATOM 922 CA SER B 5 -9.522 14.096 3.137 1.00 0.00 C ATOM 923 C SER B 5 -9.109 12.785 2.469 1.00 0.00 C ATOM 924 O SER B 5 -8.454 12.788 1.428 1.00 0.00 O ATOM 925 CB SER B 5 -10.569 14.809 2.277 1.00 0.00 C ATOM 926 OG SER B 5 -11.021 15.997 2.903 1.00 0.00 O ATOM 0 H SER B 5 -8.167 15.151 4.341 1.00 0.00 H new ATOM 0 HA SER B 5 -9.955 13.865 4.110 1.00 0.00 H new ATOM 0 HB2 SER B 5 -10.142 15.047 1.303 1.00 0.00 H new ATOM 0 HB3 SER B 5 -11.414 14.143 2.101 1.00 0.00 H new ATOM 0 HG SER B 5 -11.687 16.434 2.333 1.00 0.00 H new ATOM 932 N PRO B 6 -9.493 11.639 3.059 1.00 0.00 N ATOM 933 CA PRO B 6 -9.161 10.323 2.510 1.00 0.00 C ATOM 934 C PRO B 6 -9.899 10.051 1.206 1.00 0.00 C ATOM 935 O PRO B 6 -10.355 10.979 0.538 1.00 0.00 O ATOM 936 CB PRO B 6 -9.619 9.337 3.597 1.00 0.00 C ATOM 937 CG PRO B 6 -9.897 10.170 4.805 1.00 0.00 C ATOM 938 CD PRO B 6 -10.277 11.529 4.296 1.00 0.00 C ATOM 0 HA PRO B 6 -8.100 10.240 2.273 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.510 8.793 3.283 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -8.848 8.594 3.802 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -10.702 9.738 5.399 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -9.020 10.227 5.449 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -11.347 11.606 4.106 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -10.023 12.314 5.008 1.00 0.00 H new ATOM 946 N ALA B 7 -10.019 8.774 0.854 1.00 0.00 N ATOM 947 CA ALA B 7 -10.707 8.375 -0.368 1.00 0.00 C ATOM 948 C ALA B 7 -10.314 9.270 -1.537 1.00 0.00 C ATOM 949 O ALA B 7 -11.144 9.606 -2.382 1.00 0.00 O ATOM 950 CB ALA B 7 -12.213 8.400 -0.161 1.00 0.00 C ATOM 0 H ALA B 7 -9.647 7.997 1.400 1.00 0.00 H new ATOM 0 HA ALA B 7 -10.404 7.356 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -12.712 8.100 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -12.482 7.710 0.639 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -12.526 9.408 0.109 1.00 0.00 H new ATOM 956 N VAL B 8 -9.041 9.651 -1.576 1.00 0.00 N ATOM 957 CA VAL B 8 -8.524 10.503 -2.638 1.00 0.00 C ATOM 958 C VAL B 8 -8.315 9.686 -3.912 1.00 0.00 C ATOM 959 O VAL B 8 -7.202 9.585 -4.431 1.00 0.00 O ATOM 960 CB VAL B 8 -7.204 11.182 -2.210 1.00 0.00 C ATOM 961 CG1 VAL B 8 -6.106 10.154 -1.984 1.00 0.00 C ATOM 962 CG2 VAL B 8 -6.775 12.226 -3.232 1.00 0.00 C ATOM 0 H VAL B 8 -8.346 9.381 -0.880 1.00 0.00 H new ATOM 0 HA VAL B 8 -9.256 11.286 -2.836 1.00 0.00 H new ATOM 0 HB VAL B 8 -7.381 11.691 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -5.189 10.661 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -6.411 9.462 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -5.930 9.601 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.843 12.690 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -6.625 11.748 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.549 12.989 -3.320 1.00 0.00 H new ATOM 972 N ASP B 9 -9.400 9.078 -4.387 1.00 0.00 N ATOM 973 CA ASP B 9 -9.364 8.232 -5.575 1.00 0.00 C ATOM 974 C ASP B 9 -8.761 6.876 -5.228 1.00 0.00 C ATOM 975 O ASP B 9 -8.862 5.936 -6.012 1.00 0.00 O ATOM 976 CB ASP B 9 -8.575 8.895 -6.710 1.00 0.00 C ATOM 977 CG ASP B 9 -9.195 10.204 -7.159 1.00 0.00 C ATOM 978 OD1 ASP B 9 -10.364 10.185 -7.601 1.00 0.00 O ATOM 979 OD2 ASP B 9 -8.515 11.246 -7.069 1.00 0.00 O ATOM 0 H ASP B 9 -10.323 9.158 -3.961 1.00 0.00 H new ATOM 0 HA ASP B 9 -10.387 8.090 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP B 9 -7.552 9.075 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP B 9 -8.521 8.212 -7.558 1.00 0.00 H new ATOM 984 N ILE B 10 -8.147 6.798 -4.037 1.00 0.00 N ATOM 985 CA ILE B 10 -7.515 5.573 -3.529 1.00 0.00 C ATOM 986 C ILE B 10 -6.253 5.222 -4.319 1.00 0.00 C ATOM 987 O ILE B 10 -5.242 4.825 -3.740 1.00 0.00 O ATOM 988 CB ILE B 10 -8.498 4.378 -3.509 1.00 0.00 C ATOM 989 CG1 ILE B 10 -8.189 3.467 -2.320 1.00 0.00 C ATOM 990 CG2 ILE B 10 -8.453 3.584 -4.806 1.00 0.00 C ATOM 991 CD1 ILE B 10 -8.450 4.119 -0.979 1.00 0.00 C ATOM 0 H ILE B 10 -8.075 7.589 -3.396 1.00 0.00 H new ATOM 0 HA ILE B 10 -7.223 5.777 -2.499 1.00 0.00 H new ATOM 0 HB ILE B 10 -9.506 4.780 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -8.791 2.562 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -7.144 3.160 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -9.158 2.755 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -8.722 4.233 -5.639 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -7.446 3.195 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -8.210 3.417 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -7.828 5.009 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -9.501 4.401 -0.910 1.00 0.00 H new ATOM 1003 N GLY B 11 -6.309 5.386 -5.638 1.00 0.00 N ATOM 1004 CA GLY B 11 -5.162 5.099 -6.475 1.00 0.00 C ATOM 1005 C GLY B 11 -4.075 6.144 -6.326 1.00 0.00 C ATOM 1006 O GLY B 11 -2.896 5.852 -6.505 1.00 0.00 O ATOM 0 H GLY B 11 -7.133 5.714 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -4.761 4.119 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -5.477 5.050 -7.517 1.00 0.00 H new ATOM 1010 N ASP B 12 -4.481 7.370 -6.003 1.00 0.00 N ATOM 1011 CA ASP B 12 -3.539 8.471 -5.832 1.00 0.00 C ATOM 1012 C ASP B 12 -2.509 8.139 -4.756 1.00 0.00 C ATOM 1013 O ASP B 12 -1.305 8.275 -4.973 1.00 0.00 O ATOM 1014 CB ASP B 12 -4.290 9.752 -5.460 1.00 0.00 C ATOM 1015 CG ASP B 12 -3.374 10.956 -5.343 1.00 0.00 C ATOM 1016 OD1 ASP B 12 -2.170 10.820 -5.642 1.00 0.00 O ATOM 1017 OD2 ASP B 12 -3.864 12.038 -4.960 1.00 0.00 O ATOM 0 H ASP B 12 -5.457 7.625 -5.855 1.00 0.00 H new ATOM 0 HA ASP B 12 -3.015 8.625 -6.775 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -5.052 9.953 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -4.809 9.602 -4.513 1.00 0.00 H new ATOM 1022 N ARG B 13 -2.990 7.695 -3.598 1.00 0.00 N ATOM 1023 CA ARG B 13 -2.109 7.335 -2.493 1.00 0.00 C ATOM 1024 C ARG B 13 -1.262 6.124 -2.860 1.00 0.00 C ATOM 1025 O ARG B 13 -0.068 6.079 -2.574 1.00 0.00 O ATOM 1026 CB ARG B 13 -2.924 7.034 -1.237 1.00 0.00 C ATOM 1027 CG ARG B 13 -3.759 8.208 -0.761 1.00 0.00 C ATOM 1028 CD ARG B 13 -4.587 7.839 0.455 1.00 0.00 C ATOM 1029 NE ARG B 13 -5.421 8.946 0.917 1.00 0.00 N ATOM 1030 CZ ARG B 13 -4.935 10.097 1.375 1.00 0.00 C ATOM 1031 NH1 ARG B 13 -3.625 10.292 1.434 1.00 0.00 N ATOM 1032 NH2 ARG B 13 -5.762 11.052 1.776 1.00 0.00 N ATOM 0 H ARG B 13 -3.984 7.576 -3.401 1.00 0.00 H new ATOM 0 HA ARG B 13 -1.450 8.180 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG B 13 -3.581 6.187 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG B 13 -2.247 6.732 -0.438 1.00 0.00 H new ATOM 0 HG2 ARG B 13 -3.106 9.046 -0.518 1.00 0.00 H new ATOM 0 HG3 ARG B 13 -4.417 8.539 -1.565 1.00 0.00 H new ATOM 0 HD2 ARG B 13 -5.221 6.986 0.214 1.00 0.00 H new ATOM 0 HD3 ARG B 13 -3.924 7.526 1.261 1.00 0.00 H new ATOM 0 HE ARG B 13 -6.434 8.830 0.887 1.00 0.00 H new ATOM 0 HH11 ARG B 13 -2.986 9.558 1.128 1.00 0.00 H new ATOM 0 HH12 ARG B 13 -3.256 11.176 1.786 1.00 0.00 H new ATOM 0 HH21 ARG B 13 -6.770 10.904 1.733 1.00 0.00 H new ATOM 0 HH22 ARG B 13 -5.390 11.934 2.127 1.00 0.00 H new ATOM 1046 N LEU B 14 -1.896 5.150 -3.503 1.00 0.00 N ATOM 1047 CA LEU B 14 -1.214 3.933 -3.928 1.00 0.00 C ATOM 1048 C LEU B 14 -0.066 4.259 -4.875 1.00 0.00 C ATOM 1049 O LEU B 14 1.034 3.720 -4.747 1.00 0.00 O ATOM 1050 CB LEU B 14 -2.208 2.999 -4.619 1.00 0.00 C ATOM 1051 CG LEU B 14 -3.197 2.301 -3.684 1.00 0.00 C ATOM 1052 CD1 LEU B 14 -4.482 1.963 -4.424 1.00 0.00 C ATOM 1053 CD2 LEU B 14 -2.573 1.039 -3.110 1.00 0.00 C ATOM 0 H LEU B 14 -2.887 5.180 -3.743 1.00 0.00 H new ATOM 0 HA LEU B 14 -0.804 3.440 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -2.771 3.573 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -1.650 2.239 -5.166 1.00 0.00 H new ATOM 0 HG LEU B 14 -3.438 2.979 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -5.174 1.467 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.937 2.879 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -4.257 1.300 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -3.286 0.550 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -2.310 0.361 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -1.675 1.299 -2.550 1.00 0.00 H new ATOM 1065 N ASP B 15 -0.333 5.149 -5.824 1.00 0.00 N ATOM 1066 CA ASP B 15 0.669 5.558 -6.798 1.00 0.00 C ATOM 1067 C ASP B 15 1.835 6.252 -6.104 1.00 0.00 C ATOM 1068 O ASP B 15 2.996 5.930 -6.349 1.00 0.00 O ATOM 1069 CB ASP B 15 0.044 6.491 -7.838 1.00 0.00 C ATOM 1070 CG ASP B 15 1.008 6.857 -8.950 1.00 0.00 C ATOM 1071 OD1 ASP B 15 2.058 7.464 -8.651 1.00 0.00 O ATOM 1072 OD2 ASP B 15 0.712 6.538 -10.120 1.00 0.00 O ATOM 0 H ASP B 15 -1.240 5.602 -5.939 1.00 0.00 H new ATOM 0 HA ASP B 15 1.045 4.668 -7.303 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.835 6.012 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -0.298 7.401 -7.345 1.00 0.00 H new ATOM 1077 N GLU B 16 1.514 7.200 -5.229 1.00 0.00 N ATOM 1078 CA GLU B 16 2.532 7.935 -4.491 1.00 0.00 C ATOM 1079 C GLU B 16 3.324 6.995 -3.589 1.00 0.00 C ATOM 1080 O GLU B 16 4.543 7.125 -3.460 1.00 0.00 O ATOM 1081 CB GLU B 16 1.893 9.050 -3.662 1.00 0.00 C ATOM 1082 CG GLU B 16 1.164 10.087 -4.501 1.00 0.00 C ATOM 1083 CD GLU B 16 0.566 11.201 -3.665 1.00 0.00 C ATOM 1084 OE1 GLU B 16 -0.276 10.902 -2.792 1.00 0.00 O ATOM 1085 OE2 GLU B 16 0.938 12.374 -3.884 1.00 0.00 O ATOM 0 H GLU B 16 0.556 7.476 -5.015 1.00 0.00 H new ATOM 0 HA GLU B 16 3.217 8.385 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU B 16 1.192 8.609 -2.954 1.00 0.00 H new ATOM 0 HB3 GLU B 16 2.667 9.546 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU B 16 1.857 10.514 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU B 16 0.372 9.598 -5.068 1.00 0.00 H new ATOM 1092 N LEU B 17 2.628 6.042 -2.973 1.00 0.00 N ATOM 1093 CA LEU B 17 3.274 5.075 -2.096 1.00 0.00 C ATOM 1094 C LEU B 17 4.309 4.277 -2.881 1.00 0.00 C ATOM 1095 O LEU B 17 5.423 4.047 -2.411 1.00 0.00 O ATOM 1096 CB LEU B 17 2.249 4.124 -1.477 1.00 0.00 C ATOM 1097 CG LEU B 17 2.378 3.955 0.041 1.00 0.00 C ATOM 1098 CD1 LEU B 17 1.328 2.997 0.568 1.00 0.00 C ATOM 1099 CD2 LEU B 17 3.771 3.477 0.417 1.00 0.00 C ATOM 0 H LEU B 17 1.620 5.921 -3.066 1.00 0.00 H new ATOM 0 HA LEU B 17 3.766 5.620 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.248 4.489 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.347 3.146 -1.949 1.00 0.00 H new ATOM 0 HG LEU B 17 2.215 4.929 0.502 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.439 2.893 1.647 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.335 3.385 0.341 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.454 2.023 0.095 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.837 3.365 1.499 1.00 0.00 H new ATOM 0 HD22 LEU B 17 3.967 2.517 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.509 4.206 0.082 1.00 0.00 H new ATOM 1111 N GLU B 18 3.925 3.861 -4.088 1.00 0.00 N ATOM 1112 CA GLU B 18 4.806 3.087 -4.958 1.00 0.00 C ATOM 1113 C GLU B 18 6.026 3.899 -5.360 1.00 0.00 C ATOM 1114 O GLU B 18 7.162 3.453 -5.198 1.00 0.00 O ATOM 1115 CB GLU B 18 4.056 2.649 -6.216 1.00 0.00 C ATOM 1116 CG GLU B 18 4.832 1.669 -7.084 1.00 0.00 C ATOM 1117 CD GLU B 18 5.173 0.373 -6.373 1.00 0.00 C ATOM 1118 OE1 GLU B 18 5.899 0.423 -5.356 1.00 0.00 O ATOM 1119 OE2 GLU B 18 4.715 -0.694 -6.833 1.00 0.00 O ATOM 0 H GLU B 18 3.005 4.049 -4.486 1.00 0.00 H new ATOM 0 HA GLU B 18 5.135 2.209 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU B 18 3.111 2.191 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU B 18 3.813 3.531 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU B 18 4.247 1.443 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU B 18 5.754 2.144 -7.420 1.00 0.00 H new ATOM 1126 N LYS B 19 5.781 5.096 -5.884 1.00 0.00 N ATOM 1127 CA LYS B 19 6.858 5.981 -6.308 1.00 0.00 C ATOM 1128 C LYS B 19 7.876 6.132 -5.190 1.00 0.00 C ATOM 1129 O LYS B 19 9.079 6.225 -5.433 1.00 0.00 O ATOM 1130 CB LYS B 19 6.297 7.351 -6.698 1.00 0.00 C ATOM 1131 CG LYS B 19 5.272 7.296 -7.820 1.00 0.00 C ATOM 1132 CD LYS B 19 5.889 6.819 -9.124 1.00 0.00 C ATOM 1133 CE LYS B 19 4.850 6.730 -10.231 1.00 0.00 C ATOM 1134 NZ LYS B 19 5.452 6.314 -11.527 1.00 0.00 N ATOM 0 H LYS B 19 4.845 5.475 -6.025 1.00 0.00 H new ATOM 0 HA LYS B 19 7.349 5.545 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS B 19 5.839 7.809 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS B 19 7.120 7.998 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS B 19 4.458 6.628 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS B 19 4.837 8.285 -7.964 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.684 7.502 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS B 19 6.348 5.842 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS B 19 4.076 6.018 -9.945 1.00 0.00 H new ATOM 0 HE3 LYS B 19 4.364 7.698 -10.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 4.710 6.266 -12.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.173 7.007 -11.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 5.894 5.379 -11.420 1.00 0.00 H new ATOM 1148 N ALA B 20 7.377 6.148 -3.960 1.00 0.00 N ATOM 1149 CA ALA B 20 8.231 6.279 -2.793 1.00 0.00 C ATOM 1150 C ALA B 20 9.099 5.042 -2.604 1.00 0.00 C ATOM 1151 O ALA B 20 10.317 5.150 -2.470 1.00 0.00 O ATOM 1152 CB ALA B 20 7.389 6.534 -1.559 1.00 0.00 C ATOM 0 H ALA B 20 6.382 6.071 -3.748 1.00 0.00 H new ATOM 0 HA ALA B 20 8.895 7.129 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA B 20 8.038 6.631 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA B 20 6.820 7.454 -1.691 1.00 0.00 H new ATOM 0 HB3 ALA B 20 6.703 5.701 -1.408 1.00 0.00 H new ATOM 1158 N LEU B 21 8.474 3.864 -2.609 1.00 0.00 N ATOM 1159 CA LEU B 21 9.218 2.619 -2.453 1.00 0.00 C ATOM 1160 C LEU B 21 10.225 2.461 -3.579 1.00 0.00 C ATOM 1161 O LEU B 21 11.269 1.851 -3.399 1.00 0.00 O ATOM 1162 CB LEU B 21 8.296 1.400 -2.405 1.00 0.00 C ATOM 1163 CG LEU B 21 7.683 1.096 -1.039 1.00 0.00 C ATOM 1164 CD1 LEU B 21 6.884 2.268 -0.525 1.00 0.00 C ATOM 1165 CD2 LEU B 21 6.808 -0.139 -1.111 1.00 0.00 C ATOM 0 H LEU B 21 7.466 3.748 -2.718 1.00 0.00 H new ATOM 0 HA LEU B 21 9.743 2.675 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU B 21 7.488 1.548 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU B 21 8.859 0.527 -2.734 1.00 0.00 H new ATOM 0 HG LEU B 21 8.501 0.910 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU B 21 6.461 2.021 0.449 1.00 0.00 H new ATOM 0 HD12 LEU B 21 7.535 3.137 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU B 21 6.079 2.494 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU B 21 6.380 -0.340 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU B 21 6.005 0.025 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU B 21 7.408 -0.992 -1.426 1.00 0.00 H new ATOM 1177 N GLU B 22 9.914 3.027 -4.740 1.00 0.00 N ATOM 1178 CA GLU B 22 10.823 2.951 -5.875 1.00 0.00 C ATOM 1179 C GLU B 22 12.194 3.457 -5.451 1.00 0.00 C ATOM 1180 O GLU B 22 13.226 2.902 -5.829 1.00 0.00 O ATOM 1181 CB GLU B 22 10.292 3.771 -7.052 1.00 0.00 C ATOM 1182 CG GLU B 22 9.043 3.182 -7.687 1.00 0.00 C ATOM 1183 CD GLU B 22 9.288 1.811 -8.287 1.00 0.00 C ATOM 1184 OE1 GLU B 22 10.139 1.704 -9.195 1.00 0.00 O ATOM 1185 OE2 GLU B 22 8.630 0.844 -7.848 1.00 0.00 O ATOM 0 H GLU B 22 9.049 3.538 -4.918 1.00 0.00 H new ATOM 0 HA GLU B 22 10.902 1.914 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU B 22 10.074 4.783 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU B 22 11.072 3.852 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU B 22 8.256 3.111 -6.936 1.00 0.00 H new ATOM 0 HG3 GLU B 22 8.682 3.856 -8.464 1.00 0.00 H new ATOM 1192 N ALA B 23 12.183 4.506 -4.636 1.00 0.00 N ATOM 1193 CA ALA B 23 13.406 5.095 -4.115 1.00 0.00 C ATOM 1194 C ALA B 23 13.844 4.374 -2.845 1.00 0.00 C ATOM 1195 O ALA B 23 15.034 4.237 -2.573 1.00 0.00 O ATOM 1196 CB ALA B 23 13.198 6.575 -3.835 1.00 0.00 C ATOM 0 H ALA B 23 11.330 4.968 -4.321 1.00 0.00 H new ATOM 0 HA ALA B 23 14.191 4.987 -4.864 1.00 0.00 H new ATOM 0 HB1 ALA B 23 14.121 7.005 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA B 23 12.922 7.085 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.402 6.698 -3.101 1.00 0.00 H new ATOM 1202 N LEU B 24 12.858 3.929 -2.069 1.00 0.00 N ATOM 1203 CA LEU B 24 13.095 3.230 -0.812 1.00 0.00 C ATOM 1204 C LEU B 24 13.195 1.727 -1.045 1.00 0.00 C ATOM 1205 O LEU B 24 13.140 0.941 -0.103 1.00 0.00 O ATOM 1206 CB LEU B 24 11.926 3.523 0.131 1.00 0.00 C ATOM 1207 CG LEU B 24 12.267 3.647 1.614 1.00 0.00 C ATOM 1208 CD1 LEU B 24 13.302 4.735 1.845 1.00 0.00 C ATOM 1209 CD2 LEU B 24 11.008 3.946 2.404 1.00 0.00 C ATOM 0 H LEU B 24 11.870 4.044 -2.297 1.00 0.00 H new ATOM 0 HA LEU B 24 14.034 3.573 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU B 24 11.452 4.451 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU B 24 11.186 2.731 0.015 1.00 0.00 H new ATOM 0 HG LEU B 24 12.690 2.701 1.953 1.00 0.00 H new ATOM 0 HD11 LEU B 24 13.527 4.803 2.909 1.00 0.00 H new ATOM 0 HD12 LEU B 24 14.212 4.494 1.296 1.00 0.00 H new ATOM 0 HD13 LEU B 24 12.910 5.690 1.496 1.00 0.00 H new ATOM 0 HD21 LEU B 24 11.255 4.034 3.462 1.00 0.00 H new ATOM 0 HD22 LEU B 24 10.572 4.882 2.054 1.00 0.00 H new ATOM 0 HD23 LEU B 24 10.290 3.137 2.265 1.00 0.00 H new ATOM 1221 N SER B 25 13.301 1.338 -2.311 1.00 0.00 N ATOM 1222 CA SER B 25 13.362 -0.071 -2.687 1.00 0.00 C ATOM 1223 C SER B 25 14.477 -0.816 -1.966 1.00 0.00 C ATOM 1224 O SER B 25 15.584 -0.960 -2.485 1.00 0.00 O ATOM 1225 CB SER B 25 13.526 -0.207 -4.200 1.00 0.00 C ATOM 1226 OG SER B 25 14.763 0.329 -4.635 1.00 0.00 O ATOM 0 H SER B 25 13.347 1.983 -3.100 1.00 0.00 H new ATOM 0 HA SER B 25 12.421 -0.528 -2.381 1.00 0.00 H new ATOM 0 HB2 SER B 25 13.464 -1.258 -4.481 1.00 0.00 H new ATOM 0 HB3 SER B 25 12.707 0.307 -4.704 1.00 0.00 H new ATOM 0 HG SER B 25 15.471 0.068 -4.010 1.00 0.00 H new ATOM 1232 N ALA B 26 14.160 -1.307 -0.771 1.00 0.00 N ATOM 1233 CA ALA B 26 15.111 -2.063 0.032 1.00 0.00 C ATOM 1234 C ALA B 26 16.454 -1.345 0.134 1.00 0.00 C ATOM 1235 O ALA B 26 17.513 -1.964 0.025 1.00 0.00 O ATOM 1236 CB ALA B 26 15.285 -3.451 -0.560 1.00 0.00 C ATOM 0 H ALA B 26 13.244 -1.192 -0.337 1.00 0.00 H new ATOM 0 HA ALA B 26 14.716 -2.151 1.044 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.997 -4.016 0.041 1.00 0.00 H new ATOM 0 HB2 ALA B 26 14.325 -3.967 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.658 -3.367 -1.581 1.00 0.00 H new ATOM 1242 N GLU B 27 16.399 -0.035 0.345 1.00 0.00 N ATOM 1243 CA GLU B 27 17.605 0.778 0.464 1.00 0.00 C ATOM 1244 C GLU B 27 18.430 0.381 1.683 1.00 0.00 C ATOM 1245 O GLU B 27 19.660 0.424 1.653 1.00 0.00 O ATOM 1246 CB GLU B 27 17.239 2.259 0.548 1.00 0.00 C ATOM 1247 CG GLU B 27 16.610 2.799 -0.722 1.00 0.00 C ATOM 1248 CD GLU B 27 17.559 2.761 -1.904 1.00 0.00 C ATOM 1249 OE1 GLU B 27 18.605 3.439 -1.847 1.00 0.00 O ATOM 1250 OE2 GLU B 27 17.257 2.050 -2.884 1.00 0.00 O ATOM 0 H GLU B 27 15.529 0.489 0.438 1.00 0.00 H new ATOM 0 HA GLU B 27 18.209 0.603 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU B 27 16.548 2.408 1.378 1.00 0.00 H new ATOM 0 HB3 GLU B 27 18.137 2.835 0.773 1.00 0.00 H new ATOM 0 HG2 GLU B 27 15.719 2.217 -0.957 1.00 0.00 H new ATOM 0 HG3 GLU B 27 16.285 3.826 -0.554 1.00 0.00 H new ATOM 1257 N ASP B 28 17.748 0.008 2.761 1.00 0.00 N ATOM 1258 CA ASP B 28 18.426 -0.380 3.992 1.00 0.00 C ATOM 1259 C ASP B 28 17.510 -1.230 4.870 1.00 0.00 C ATOM 1260 O ASP B 28 17.184 -0.853 5.995 1.00 0.00 O ATOM 1261 CB ASP B 28 18.876 0.869 4.755 1.00 0.00 C ATOM 1262 CG ASP B 28 19.837 0.555 5.886 1.00 0.00 C ATOM 1263 OD1 ASP B 28 19.468 -0.231 6.782 1.00 0.00 O ATOM 1264 OD2 ASP B 28 20.960 1.098 5.877 1.00 0.00 O ATOM 0 H ASP B 28 16.730 -0.034 2.807 1.00 0.00 H new ATOM 0 HA ASP B 28 19.301 -0.976 3.732 1.00 0.00 H new ATOM 0 HB2 ASP B 28 19.353 1.561 4.061 1.00 0.00 H new ATOM 0 HB3 ASP B 28 18.000 1.377 5.159 1.00 0.00 H new ATOM 1269 N GLY B 29 17.090 -2.376 4.342 1.00 0.00 N ATOM 1270 CA GLY B 29 16.211 -3.254 5.093 1.00 0.00 C ATOM 1271 C GLY B 29 14.899 -2.581 5.436 1.00 0.00 C ATOM 1272 O GLY B 29 14.477 -2.579 6.594 1.00 0.00 O ATOM 0 H GLY B 29 17.341 -2.711 3.412 1.00 0.00 H new ATOM 0 HA2 GLY B 29 16.016 -4.155 4.512 1.00 0.00 H new ATOM 0 HA3 GLY B 29 16.709 -3.568 6.011 1.00 0.00 H new ATOM 1276 N HIS B 30 14.264 -1.998 4.427 1.00 0.00 N ATOM 1277 CA HIS B 30 12.996 -1.302 4.608 1.00 0.00 C ATOM 1278 C HIS B 30 11.838 -2.278 4.801 1.00 0.00 C ATOM 1279 O HIS B 30 10.728 -2.039 4.331 1.00 0.00 O ATOM 1280 CB HIS B 30 12.741 -0.385 3.410 1.00 0.00 C ATOM 1281 CG HIS B 30 13.613 0.828 3.415 1.00 0.00 C ATOM 1282 ND1 HIS B 30 13.684 1.697 4.484 1.00 0.00 N ATOM 1283 CD2 HIS B 30 14.461 1.313 2.481 1.00 0.00 C ATOM 1284 CE1 HIS B 30 14.540 2.662 4.210 1.00 0.00 C ATOM 1285 NE2 HIS B 30 15.028 2.452 3.000 1.00 0.00 N ATOM 0 H HIS B 30 14.610 -1.994 3.467 1.00 0.00 H new ATOM 0 HA HIS B 30 13.060 -0.701 5.515 1.00 0.00 H new ATOM 0 HB2 HIS B 30 12.908 -0.943 2.489 1.00 0.00 H new ATOM 0 HB3 HIS B 30 11.696 -0.076 3.411 1.00 0.00 H new ATOM 0 HD1 HIS B 30 13.156 1.607 5.352 1.00 0.00 H new ATOM 0 HD2 HIS B 30 14.656 0.885 1.509 1.00 0.00 H new ATOM 0 HE1 HIS B 30 14.798 3.483 4.863 1.00 0.00 H new ATOM 1294 N ASP B 31 12.095 -3.369 5.516 1.00 0.00 N ATOM 1295 CA ASP B 31 11.068 -4.367 5.784 1.00 0.00 C ATOM 1296 C ASP B 31 9.836 -3.704 6.388 1.00 0.00 C ATOM 1297 O ASP B 31 8.715 -4.187 6.227 1.00 0.00 O ATOM 1298 CB ASP B 31 11.608 -5.439 6.732 1.00 0.00 C ATOM 1299 CG ASP B 31 12.863 -6.102 6.197 1.00 0.00 C ATOM 1300 OD1 ASP B 31 12.796 -6.715 5.113 1.00 0.00 O ATOM 1301 OD2 ASP B 31 13.915 -6.003 6.862 1.00 0.00 O ATOM 0 H ASP B 31 13.007 -3.583 5.920 1.00 0.00 H new ATOM 0 HA ASP B 31 10.786 -4.841 4.844 1.00 0.00 H new ATOM 0 HB2 ASP B 31 11.823 -4.989 7.701 1.00 0.00 H new ATOM 0 HB3 ASP B 31 10.841 -6.196 6.895 1.00 0.00 H new ATOM 1306 N ASP B 32 10.057 -2.589 7.081 1.00 0.00 N ATOM 1307 CA ASP B 32 8.973 -1.844 7.709 1.00 0.00 C ATOM 1308 C ASP B 32 7.909 -1.463 6.684 1.00 0.00 C ATOM 1309 O ASP B 32 6.715 -1.568 6.952 1.00 0.00 O ATOM 1310 CB ASP B 32 9.518 -0.589 8.392 1.00 0.00 C ATOM 1311 CG ASP B 32 10.506 -0.912 9.496 1.00 0.00 C ATOM 1312 OD1 ASP B 32 10.717 -2.111 9.773 1.00 0.00 O ATOM 1313 OD2 ASP B 32 11.065 0.033 10.088 1.00 0.00 O ATOM 0 H ASP B 32 10.982 -2.182 7.221 1.00 0.00 H new ATOM 0 HA ASP B 32 8.512 -2.485 8.461 1.00 0.00 H new ATOM 0 HB2 ASP B 32 10.003 0.044 7.649 1.00 0.00 H new ATOM 0 HB3 ASP B 32 8.689 -0.016 8.807 1.00 0.00 H new ATOM 1318 N VAL B 33 8.343 -1.031 5.505 1.00 0.00 N ATOM 1319 CA VAL B 33 7.402 -0.660 4.457 1.00 0.00 C ATOM 1320 C VAL B 33 6.599 -1.881 4.034 1.00 0.00 C ATOM 1321 O VAL B 33 5.442 -1.770 3.634 1.00 0.00 O ATOM 1322 CB VAL B 33 8.100 -0.052 3.225 1.00 0.00 C ATOM 1323 CG1 VAL B 33 7.069 0.552 2.287 1.00 0.00 C ATOM 1324 CG2 VAL B 33 9.120 0.992 3.649 1.00 0.00 C ATOM 0 H VAL B 33 9.326 -0.930 5.254 1.00 0.00 H new ATOM 0 HA VAL B 33 6.743 0.104 4.870 1.00 0.00 H new ATOM 0 HB VAL B 33 8.629 -0.844 2.696 1.00 0.00 H new ATOM 0 HG11 VAL B 33 7.572 0.979 1.420 1.00 0.00 H new ATOM 0 HG12 VAL B 33 6.377 -0.223 1.959 1.00 0.00 H new ATOM 0 HG13 VAL B 33 6.517 1.334 2.808 1.00 0.00 H new ATOM 0 HG21 VAL B 33 9.602 1.410 2.765 1.00 0.00 H new ATOM 0 HG22 VAL B 33 8.619 1.788 4.199 1.00 0.00 H new ATOM 0 HG23 VAL B 33 9.872 0.528 4.287 1.00 0.00 H new ATOM 1334 N GLY B 34 7.228 -3.048 4.140 1.00 0.00 N ATOM 1335 CA GLY B 34 6.570 -4.289 3.780 1.00 0.00 C ATOM 1336 C GLY B 34 5.469 -4.661 4.750 1.00 0.00 C ATOM 1337 O GLY B 34 4.374 -5.034 4.335 1.00 0.00 O ATOM 0 H GLY B 34 8.187 -3.155 4.471 1.00 0.00 H new ATOM 0 HA2 GLY B 34 6.152 -4.198 2.778 1.00 0.00 H new ATOM 0 HA3 GLY B 34 7.307 -5.091 3.746 1.00 0.00 H new ATOM 1341 N GLN B 35 5.754 -4.558 6.046 1.00 0.00 N ATOM 1342 CA GLN B 35 4.765 -4.885 7.065 1.00 0.00 C ATOM 1343 C GLN B 35 3.570 -3.947 6.950 1.00 0.00 C ATOM 1344 O GLN B 35 2.426 -4.359 7.135 1.00 0.00 O ATOM 1345 CB GLN B 35 5.374 -4.808 8.470 1.00 0.00 C ATOM 1346 CG GLN B 35 5.726 -3.398 8.915 1.00 0.00 C ATOM 1347 CD GLN B 35 6.366 -3.350 10.292 1.00 0.00 C ATOM 1348 OE1 GLN B 35 6.602 -4.517 10.886 1.00 0.00 O flip ATOM 1349 NE2 GLN B 35 6.653 -2.274 10.814 1.00 0.00 N flip ATOM 0 H GLN B 35 6.656 -4.253 6.412 1.00 0.00 H new ATOM 0 HA GLN B 35 4.430 -5.909 6.902 1.00 0.00 H new ATOM 0 HB2 GLN B 35 4.671 -5.238 9.183 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.274 -5.422 8.499 1.00 0.00 H new ATOM 0 HG2 GLN B 35 6.407 -2.954 8.189 1.00 0.00 H new ATOM 0 HG3 GLN B 35 4.822 -2.789 8.919 1.00 0.00 H new ATOM 0 HE21 GLN B 35 6.455 -1.401 10.325 1.00 0.00 H new ATOM 0 HE22 GLN B 35 7.089 -2.255 11.736 1.00 0.00 H new ATOM 1358 N ARG B 36 3.844 -2.687 6.624 1.00 0.00 N ATOM 1359 CA ARG B 36 2.791 -1.691 6.460 1.00 0.00 C ATOM 1360 C ARG B 36 1.976 -1.995 5.212 1.00 0.00 C ATOM 1361 O ARG B 36 0.765 -2.186 5.274 1.00 0.00 O ATOM 1362 CB ARG B 36 3.398 -0.288 6.342 1.00 0.00 C ATOM 1363 CG ARG B 36 4.211 0.135 7.553 1.00 0.00 C ATOM 1364 CD ARG B 36 3.332 0.304 8.779 1.00 0.00 C ATOM 1365 NE ARG B 36 4.115 0.572 9.982 1.00 0.00 N ATOM 1366 CZ ARG B 36 3.581 0.737 11.188 1.00 0.00 C ATOM 1367 NH1 ARG B 36 2.267 0.658 11.352 1.00 0.00 N ATOM 1368 NH2 ARG B 36 4.362 0.978 12.232 1.00 0.00 N ATOM 0 H ARG B 36 4.787 -2.332 6.468 1.00 0.00 H new ATOM 0 HA ARG B 36 2.142 -1.727 7.335 1.00 0.00 H new ATOM 0 HB2 ARG B 36 4.035 -0.252 5.458 1.00 0.00 H new ATOM 0 HB3 ARG B 36 2.595 0.433 6.186 1.00 0.00 H new ATOM 0 HG2 ARG B 36 4.980 -0.610 7.755 1.00 0.00 H new ATOM 0 HG3 ARG B 36 4.724 1.073 7.339 1.00 0.00 H new ATOM 0 HD2 ARG B 36 2.632 1.123 8.613 1.00 0.00 H new ATOM 0 HD3 ARG B 36 2.738 -0.598 8.926 1.00 0.00 H new ATOM 0 HE ARG B 36 5.129 0.636 9.892 1.00 0.00 H new ATOM 0 HH11 ARG B 36 1.664 0.470 10.551 1.00 0.00 H new ATOM 0 HH12 ARG B 36 1.860 0.785 12.279 1.00 0.00 H new ATOM 0 HH21 ARG B 36 5.373 1.037 12.110 1.00 0.00 H new ATOM 0 HH22 ARG B 36 3.952 1.105 13.157 1.00 0.00 H new ATOM 1382 N LEU B 37 2.669 -2.046 4.081 1.00 0.00 N ATOM 1383 CA LEU B 37 2.050 -2.331 2.792 1.00 0.00 C ATOM 1384 C LEU B 37 1.222 -3.610 2.868 1.00 0.00 C ATOM 1385 O LEU B 37 0.137 -3.702 2.294 1.00 0.00 O ATOM 1386 CB LEU B 37 3.148 -2.488 1.735 1.00 0.00 C ATOM 1387 CG LEU B 37 2.830 -1.979 0.324 1.00 0.00 C ATOM 1388 CD1 LEU B 37 3.970 -2.350 -0.617 1.00 0.00 C ATOM 1389 CD2 LEU B 37 1.503 -2.535 -0.184 1.00 0.00 C ATOM 0 H LEU B 37 3.676 -1.891 4.031 1.00 0.00 H new ATOM 0 HA LEU B 37 1.389 -1.507 2.522 1.00 0.00 H new ATOM 0 HB2 LEU B 37 4.038 -1.969 2.090 1.00 0.00 H new ATOM 0 HB3 LEU B 37 3.403 -3.545 1.665 1.00 0.00 H new ATOM 0 HG LEU B 37 2.731 -0.894 0.359 1.00 0.00 H new ATOM 0 HD11 LEU B 37 3.746 -1.989 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU B 37 4.895 -1.893 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU B 37 4.086 -3.434 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU B 37 1.309 -2.154 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU B 37 1.552 -3.624 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU B 37 0.699 -2.225 0.484 1.00 0.00 H new ATOM 1401 N GLU B 38 1.758 -4.600 3.576 1.00 0.00 N ATOM 1402 CA GLU B 38 1.093 -5.887 3.728 1.00 0.00 C ATOM 1403 C GLU B 38 -0.099 -5.792 4.674 1.00 0.00 C ATOM 1404 O GLU B 38 -1.175 -6.306 4.377 1.00 0.00 O ATOM 1405 CB GLU B 38 2.085 -6.929 4.246 1.00 0.00 C ATOM 1406 CG GLU B 38 1.802 -8.334 3.747 1.00 0.00 C ATOM 1407 CD GLU B 38 2.593 -9.392 4.491 1.00 0.00 C ATOM 1408 OE1 GLU B 38 2.442 -9.487 5.728 1.00 0.00 O ATOM 1409 OE2 GLU B 38 3.362 -10.128 3.838 1.00 0.00 O ATOM 0 H GLU B 38 2.656 -4.533 4.055 1.00 0.00 H new ATOM 0 HA GLU B 38 0.722 -6.190 2.749 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.092 -6.641 3.945 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.065 -6.928 5.336 1.00 0.00 H new ATOM 0 HG2 GLU B 38 0.737 -8.544 3.850 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.037 -8.391 2.684 1.00 0.00 H new ATOM 1416 N SER B 39 0.099 -5.135 5.813 1.00 0.00 N ATOM 1417 CA SER B 39 -0.964 -4.981 6.799 1.00 0.00 C ATOM 1418 C SER B 39 -2.167 -4.270 6.191 1.00 0.00 C ATOM 1419 O SER B 39 -3.312 -4.645 6.442 1.00 0.00 O ATOM 1420 CB SER B 39 -0.459 -4.213 8.023 1.00 0.00 C ATOM 1421 OG SER B 39 0.050 -2.944 7.659 1.00 0.00 O ATOM 0 H SER B 39 0.984 -4.702 6.075 1.00 0.00 H new ATOM 0 HA SER B 39 -1.275 -5.976 7.117 1.00 0.00 H new ATOM 0 HB2 SER B 39 -1.272 -4.090 8.739 1.00 0.00 H new ATOM 0 HB3 SER B 39 0.320 -4.790 8.522 1.00 0.00 H new ATOM 0 HG SER B 39 0.268 -2.941 6.704 1.00 0.00 H new ATOM 1427 N LEU B 40 -1.901 -3.247 5.385 1.00 0.00 N ATOM 1428 CA LEU B 40 -2.967 -2.494 4.737 1.00 0.00 C ATOM 1429 C LEU B 40 -3.787 -3.406 3.837 1.00 0.00 C ATOM 1430 O LEU B 40 -5.015 -3.344 3.821 1.00 0.00 O ATOM 1431 CB LEU B 40 -2.394 -1.351 3.893 1.00 0.00 C ATOM 1432 CG LEU B 40 -1.429 -0.409 4.614 1.00 0.00 C ATOM 1433 CD1 LEU B 40 -1.039 0.739 3.697 1.00 0.00 C ATOM 1434 CD2 LEU B 40 -2.045 0.119 5.898 1.00 0.00 C ATOM 0 H LEU B 40 -0.959 -2.922 5.166 1.00 0.00 H new ATOM 0 HA LEU B 40 -3.602 -2.079 5.519 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -1.878 -1.782 3.035 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.224 -0.761 3.503 1.00 0.00 H new ATOM 0 HG LEU B 40 -0.532 -0.969 4.878 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.352 1.404 4.219 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -0.553 0.343 2.805 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.932 1.294 3.408 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.339 0.787 6.392 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.959 0.665 5.665 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.279 -0.715 6.559 1.00 0.00 H new ATOM 1446 N LEU B 41 -3.087 -4.237 3.074 1.00 0.00 N ATOM 1447 CA LEU B 41 -3.724 -5.156 2.144 1.00 0.00 C ATOM 1448 C LEU B 41 -4.464 -6.273 2.877 1.00 0.00 C ATOM 1449 O LEU B 41 -5.567 -6.646 2.487 1.00 0.00 O ATOM 1450 CB LEU B 41 -2.676 -5.728 1.188 1.00 0.00 C ATOM 1451 CG LEU B 41 -3.222 -6.451 -0.046 1.00 0.00 C ATOM 1452 CD1 LEU B 41 -4.402 -5.703 -0.645 1.00 0.00 C ATOM 1453 CD2 LEU B 41 -2.123 -6.595 -1.086 1.00 0.00 C ATOM 0 H LEU B 41 -2.069 -4.292 3.083 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.468 -4.605 1.568 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -2.034 -4.913 0.854 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -2.046 -6.423 1.743 1.00 0.00 H new ATOM 0 HG LEU B 41 -3.566 -7.438 0.263 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -4.768 -6.241 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -5.199 -5.629 0.095 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.086 -4.702 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -2.517 -7.110 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -1.765 -5.607 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -1.298 -7.171 -0.666 1.00 0.00 H new ATOM 1465 N ARG B 42 -3.868 -6.797 3.947 1.00 0.00 N ATOM 1466 CA ARG B 42 -4.510 -7.856 4.724 1.00 0.00 C ATOM 1467 C ARG B 42 -5.838 -7.360 5.278 1.00 0.00 C ATOM 1468 O ARG B 42 -6.852 -8.053 5.204 1.00 0.00 O ATOM 1469 CB ARG B 42 -3.600 -8.328 5.861 1.00 0.00 C ATOM 1470 CG ARG B 42 -2.462 -9.224 5.397 1.00 0.00 C ATOM 1471 CD ARG B 42 -2.981 -10.549 4.858 1.00 0.00 C ATOM 1472 NE ARG B 42 -3.673 -11.325 5.886 1.00 0.00 N ATOM 1473 CZ ARG B 42 -4.245 -12.505 5.662 1.00 0.00 C ATOM 1474 NH1 ARG B 42 -4.222 -13.039 4.447 1.00 0.00 N ATOM 1475 NH2 ARG B 42 -4.842 -13.154 6.653 1.00 0.00 N ATOM 0 H ARG B 42 -2.952 -6.510 4.293 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.694 -8.705 4.066 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -3.183 -7.457 6.367 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -4.199 -8.866 6.595 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -1.889 -8.714 4.623 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -1.781 -9.409 6.228 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -3.661 -10.361 4.027 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -2.148 -11.131 4.463 1.00 0.00 H new ATOM 0 HE ARG B 42 -3.720 -10.939 6.829 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -3.765 -12.544 3.681 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -4.662 -13.944 4.279 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -4.863 -12.748 7.589 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -5.280 -14.059 6.479 1.00 0.00 H new ATOM 1489 N ARG B 43 -5.826 -6.142 5.810 1.00 0.00 N ATOM 1490 CA ARG B 43 -7.032 -5.532 6.351 1.00 0.00 C ATOM 1491 C ARG B 43 -7.974 -5.167 5.209 1.00 0.00 C ATOM 1492 O ARG B 43 -9.193 -5.284 5.325 1.00 0.00 O ATOM 1493 CB ARG B 43 -6.681 -4.283 7.164 1.00 0.00 C ATOM 1494 CG ARG B 43 -5.724 -4.550 8.317 1.00 0.00 C ATOM 1495 CD ARG B 43 -6.329 -5.496 9.343 1.00 0.00 C ATOM 1496 NE ARG B 43 -7.548 -4.954 9.935 1.00 0.00 N ATOM 1497 CZ ARG B 43 -8.262 -5.586 10.861 1.00 0.00 C ATOM 1498 NH1 ARG B 43 -7.881 -6.778 11.300 1.00 0.00 N ATOM 1499 NH2 ARG B 43 -9.359 -5.024 11.350 1.00 0.00 N ATOM 0 H ARG B 43 -4.992 -5.558 5.877 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.525 -6.245 7.012 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.237 -3.541 6.500 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.599 -3.848 7.559 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -4.798 -4.976 7.930 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.464 -3.608 8.800 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -6.551 -6.452 8.868 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -5.600 -5.692 10.129 1.00 0.00 H new ATOM 0 HE ARG B 43 -7.870 -4.039 9.620 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -7.037 -7.213 10.927 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -8.432 -7.260 12.011 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -9.655 -4.107 11.016 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -9.907 -5.509 12.061 1.00 0.00 H new ATOM 1513 N TRP B 44 -7.381 -4.729 4.102 1.00 0.00 N ATOM 1514 CA TRP B 44 -8.129 -4.344 2.910 1.00 0.00 C ATOM 1515 C TRP B 44 -8.951 -5.516 2.373 1.00 0.00 C ATOM 1516 O TRP B 44 -10.162 -5.405 2.181 1.00 0.00 O ATOM 1517 CB TRP B 44 -7.156 -3.860 1.836 1.00 0.00 C ATOM 1518 CG TRP B 44 -7.815 -3.517 0.538 1.00 0.00 C ATOM 1519 CD1 TRP B 44 -7.430 -3.929 -0.704 1.00 0.00 C ATOM 1520 CD2 TRP B 44 -8.964 -2.685 0.346 1.00 0.00 C ATOM 1521 NE1 TRP B 44 -8.271 -3.413 -1.654 1.00 0.00 N ATOM 1522 CE2 TRP B 44 -9.219 -2.646 -1.036 1.00 0.00 C ATOM 1523 CE3 TRP B 44 -9.806 -1.970 1.205 1.00 0.00 C ATOM 1524 CZ2 TRP B 44 -10.273 -1.925 -1.578 1.00 0.00 C ATOM 1525 CZ3 TRP B 44 -10.853 -1.252 0.656 1.00 0.00 C ATOM 1526 CH2 TRP B 44 -11.077 -1.235 -0.721 1.00 0.00 C ATOM 0 H TRP B 44 -6.370 -4.631 4.006 1.00 0.00 H new ATOM 0 HA TRP B 44 -8.817 -3.542 3.177 1.00 0.00 H new ATOM 0 HB2 TRP B 44 -6.626 -2.983 2.207 1.00 0.00 H new ATOM 0 HB3 TRP B 44 -6.408 -4.633 1.660 1.00 0.00 H new ATOM 0 HD1 TRP B 44 -6.585 -4.569 -0.909 1.00 0.00 H new ATOM 0 HE1 TRP B 44 -8.201 -3.575 -2.659 1.00 0.00 H new ATOM 0 HE3 TRP B 44 -9.642 -1.979 2.272 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 -10.450 -1.911 -2.643 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 -11.510 -0.693 1.306 1.00 0.00 H new ATOM 0 HH2 TRP B 44 -11.904 -0.664 -1.116 1.00 0.00 H new ATOM 1537 N ASN B 45 -8.277 -6.638 2.132 1.00 0.00 N ATOM 1538 CA ASN B 45 -8.926 -7.839 1.613 1.00 0.00 C ATOM 1539 C ASN B 45 -9.883 -8.436 2.638 1.00 0.00 C ATOM 1540 O ASN B 45 -10.983 -8.867 2.292 1.00 0.00 O ATOM 1541 CB ASN B 45 -7.878 -8.881 1.213 1.00 0.00 C ATOM 1542 CG ASN B 45 -6.987 -8.404 0.082 1.00 0.00 C ATOM 1543 OD1 ASN B 45 -5.686 -8.357 0.334 1.00 0.00 O flip ATOM 1544 ND2 ASN B 45 -7.465 -8.087 -1.007 1.00 0.00 N flip ATOM 0 H ASN B 45 -7.274 -6.740 2.289 1.00 0.00 H new ATOM 0 HA ASN B 45 -9.501 -7.552 0.733 1.00 0.00 H new ATOM 0 HB2 ASN B 45 -7.262 -9.123 2.079 1.00 0.00 H new ATOM 0 HB3 ASN B 45 -8.381 -9.800 0.912 1.00 0.00 H new ATOM 0 HD21 ASN B 45 -8.473 -8.139 -1.156 1.00 0.00 H new ATOM 0 HD22 ASN B 45 -6.853 -7.772 -1.760 1.00 0.00 H new ATOM 1551 N SER B 46 -9.457 -8.465 3.898 1.00 0.00 N ATOM 1552 CA SER B 46 -10.281 -9.013 4.968 1.00 0.00 C ATOM 1553 C SER B 46 -11.664 -8.374 4.959 1.00 0.00 C ATOM 1554 O SER B 46 -12.679 -9.061 5.071 1.00 0.00 O ATOM 1555 CB SER B 46 -9.610 -8.793 6.325 1.00 0.00 C ATOM 1556 OG SER B 46 -10.394 -9.329 7.377 1.00 0.00 O ATOM 0 H SER B 46 -8.548 -8.116 4.201 1.00 0.00 H new ATOM 0 HA SER B 46 -10.391 -10.084 4.800 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.625 -9.261 6.327 1.00 0.00 H new ATOM 0 HB3 SER B 46 -9.457 -7.726 6.489 1.00 0.00 H new ATOM 0 HG SER B 46 -9.942 -9.176 8.233 1.00 0.00 H new ATOM 1562 N ARG B 47 -11.693 -7.054 4.810 1.00 0.00 N ATOM 1563 CA ARG B 47 -12.949 -6.317 4.768 1.00 0.00 C ATOM 1564 C ARG B 47 -13.761 -6.720 3.543 1.00 0.00 C ATOM 1565 O ARG B 47 -14.985 -6.836 3.607 1.00 0.00 O ATOM 1566 CB ARG B 47 -12.681 -4.811 4.757 1.00 0.00 C ATOM 1567 CG ARG B 47 -11.966 -4.317 6.004 1.00 0.00 C ATOM 1568 CD ARG B 47 -11.653 -2.832 5.920 1.00 0.00 C ATOM 1569 NE ARG B 47 -10.962 -2.347 7.113 1.00 0.00 N ATOM 1570 CZ ARG B 47 -11.502 -2.344 8.330 1.00 0.00 C ATOM 1571 NH1 ARG B 47 -12.743 -2.777 8.513 1.00 0.00 N ATOM 1572 NH2 ARG B 47 -10.801 -1.901 9.365 1.00 0.00 N ATOM 0 H ARG B 47 -10.860 -6.473 4.716 1.00 0.00 H new ATOM 0 HA ARG B 47 -13.525 -6.561 5.661 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -12.082 -4.562 3.881 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -13.628 -4.281 4.656 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -12.586 -4.509 6.880 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.041 -4.877 6.139 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -11.036 -2.641 5.042 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -12.580 -2.274 5.786 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.012 -1.991 7.007 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -13.288 -3.114 7.719 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -13.152 -2.773 9.447 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -9.848 -1.563 9.229 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -11.214 -1.899 10.297 1.00 0.00 H new ATOM 1586 N ARG B 48 -13.066 -6.943 2.428 1.00 0.00 N ATOM 1587 CA ARG B 48 -13.717 -7.346 1.186 1.00 0.00 C ATOM 1588 C ARG B 48 -14.540 -8.610 1.401 1.00 0.00 C ATOM 1589 O ARG B 48 -15.703 -8.683 1.003 1.00 0.00 O ATOM 1590 CB ARG B 48 -12.674 -7.588 0.094 1.00 0.00 C ATOM 1591 CG ARG B 48 -11.883 -6.348 -0.285 1.00 0.00 C ATOM 1592 CD ARG B 48 -10.772 -6.679 -1.269 1.00 0.00 C ATOM 1593 NE ARG B 48 -11.282 -7.329 -2.474 1.00 0.00 N ATOM 1594 CZ ARG B 48 -10.506 -7.742 -3.471 1.00 0.00 C ATOM 1595 NH1 ARG B 48 -9.192 -7.572 -3.410 1.00 0.00 N ATOM 1596 NH2 ARG B 48 -11.044 -8.330 -4.531 1.00 0.00 N ATOM 0 H ARG B 48 -12.052 -6.851 2.361 1.00 0.00 H new ATOM 0 HA ARG B 48 -14.382 -6.541 0.871 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -11.982 -8.360 0.430 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -13.174 -7.974 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -12.552 -5.608 -0.724 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -11.455 -5.899 0.611 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -10.248 -5.764 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -10.043 -7.330 -0.787 1.00 0.00 H new ATOM 0 HE ARG B 48 -12.288 -7.474 -2.555 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -8.773 -7.123 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -8.600 -7.891 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -12.054 -8.465 -4.581 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -10.448 -8.647 -5.296 1.00 0.00 H new ATOM 1610 N ALA B 49 -13.927 -9.601 2.042 1.00 0.00 N ATOM 1611 CA ALA B 49 -14.600 -10.862 2.323 1.00 0.00 C ATOM 1612 C ALA B 49 -15.815 -10.634 3.211 1.00 0.00 C ATOM 1613 O ALA B 49 -16.868 -11.238 3.010 1.00 0.00 O ATOM 1614 CB ALA B 49 -13.637 -11.841 2.979 1.00 0.00 C ATOM 0 H ALA B 49 -12.964 -9.554 2.376 1.00 0.00 H new ATOM 0 HA ALA B 49 -14.940 -11.289 1.380 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -14.154 -12.779 3.183 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -12.797 -12.028 2.310 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -13.269 -11.418 3.914 1.00 0.00 H new ATOM 1620 N ASP B 50 -15.660 -9.751 4.195 1.00 0.00 N ATOM 1621 CA ASP B 50 -16.743 -9.432 5.116 1.00 0.00 C ATOM 1622 C ASP B 50 -17.920 -8.820 4.365 1.00 0.00 C ATOM 1623 O ASP B 50 -17.966 -7.610 4.142 1.00 0.00 O ATOM 1624 CB ASP B 50 -16.249 -8.464 6.195 1.00 0.00 C ATOM 1625 CG ASP B 50 -17.309 -8.155 7.235 1.00 0.00 C ATOM 1626 OD1 ASP B 50 -18.385 -7.646 6.857 1.00 0.00 O ATOM 1627 OD2 ASP B 50 -17.062 -8.420 8.430 1.00 0.00 O ATOM 0 H ASP B 50 -14.793 -9.244 4.373 1.00 0.00 H new ATOM 0 HA ASP B 50 -17.076 -10.354 5.592 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -15.376 -8.891 6.688 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -15.927 -7.535 5.724 1.00 0.00 H new ATOM 1632 N ALA B 51 -18.869 -9.666 3.974 1.00 0.00 N ATOM 1633 CA ALA B 51 -20.048 -9.214 3.245 1.00 0.00 C ATOM 1634 C ALA B 51 -21.059 -10.346 3.086 1.00 0.00 C ATOM 1635 O ALA B 51 -20.696 -11.467 2.729 1.00 0.00 O ATOM 1636 CB ALA B 51 -19.649 -8.665 1.883 1.00 0.00 C ATOM 0 H ALA B 51 -18.843 -10.670 4.151 1.00 0.00 H new ATOM 0 HA ALA B 51 -20.519 -8.417 3.821 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -20.539 -8.331 1.350 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -18.969 -7.824 2.015 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -19.153 -9.446 1.307 1.00 0.00 H new ATOM 1642 N PRO B 52 -22.348 -10.066 3.348 1.00 0.00 N ATOM 1643 CA PRO B 52 -23.413 -11.068 3.231 1.00 0.00 C ATOM 1644 C PRO B 52 -23.605 -11.548 1.797 1.00 0.00 C ATOM 1645 O PRO B 52 -23.615 -10.749 0.860 1.00 0.00 O ATOM 1646 CB PRO B 52 -24.663 -10.328 3.720 1.00 0.00 C ATOM 1647 CG PRO B 52 -24.347 -8.883 3.546 1.00 0.00 C ATOM 1648 CD PRO B 52 -22.868 -8.755 3.777 1.00 0.00 C ATOM 0 HA PRO B 52 -23.185 -11.967 3.804 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -25.542 -10.612 3.141 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -24.878 -10.562 4.763 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -24.617 -8.541 2.547 1.00 0.00 H new ATOM 0 HG3 PRO B 52 -24.907 -8.272 4.254 1.00 0.00 H new ATOM 0 HD2 PRO B 52 -22.438 -7.940 3.194 1.00 0.00 H new ATOM 0 HD3 PRO B 52 -22.639 -8.553 4.824 1.00 0.00 H new ATOM 1656 N SER B 53 -23.757 -12.858 1.634 1.00 0.00 N ATOM 1657 CA SER B 53 -23.953 -13.451 0.315 1.00 0.00 C ATOM 1658 C SER B 53 -25.203 -12.889 -0.353 1.00 0.00 C ATOM 1659 O SER B 53 -26.213 -12.642 0.307 1.00 0.00 O ATOM 1660 CB SER B 53 -24.060 -14.973 0.428 1.00 0.00 C ATOM 1661 OG SER B 53 -25.152 -15.349 1.248 1.00 0.00 O ATOM 0 H SER B 53 -23.748 -13.531 2.400 1.00 0.00 H new ATOM 0 HA SER B 53 -23.090 -13.200 -0.301 1.00 0.00 H new ATOM 0 HB2 SER B 53 -24.181 -15.407 -0.565 1.00 0.00 H new ATOM 0 HB3 SER B 53 -23.135 -15.376 0.841 1.00 0.00 H new ATOM 0 HG SER B 53 -25.199 -16.326 1.302 1.00 0.00 H new ATOM 1667 N THR B 54 -25.129 -12.687 -1.664 1.00 0.00 N ATOM 1668 CA THR B 54 -26.256 -12.152 -2.420 1.00 0.00 C ATOM 1669 C THR B 54 -26.066 -12.358 -3.920 1.00 0.00 C ATOM 1670 O THR B 54 -27.009 -12.707 -4.630 1.00 0.00 O ATOM 1671 CB THR B 54 -26.460 -10.651 -2.137 1.00 0.00 C ATOM 1672 OG1 THR B 54 -27.538 -10.144 -2.932 1.00 0.00 O ATOM 1673 CG2 THR B 54 -25.192 -9.862 -2.430 1.00 0.00 C ATOM 0 H THR B 54 -24.301 -12.886 -2.225 1.00 0.00 H new ATOM 0 HA THR B 54 -27.141 -12.699 -2.095 1.00 0.00 H new ATOM 0 HB THR B 54 -26.702 -10.536 -1.080 1.00 0.00 H new ATOM 0 HG1 THR B 54 -27.662 -9.190 -2.745 1.00 0.00 H new ATOM 0 HG21 THR B 54 -25.364 -8.806 -2.222 1.00 0.00 H new ATOM 0 HG22 THR B 54 -24.382 -10.229 -1.800 1.00 0.00 H new ATOM 0 HG23 THR B 54 -24.921 -9.985 -3.478 1.00 0.00 H new ATOM 1681 N SER B 55 -24.842 -12.142 -4.395 1.00 0.00 N ATOM 1682 CA SER B 55 -24.531 -12.307 -5.812 1.00 0.00 C ATOM 1683 C SER B 55 -23.024 -12.416 -6.029 1.00 0.00 C ATOM 1684 O SER B 55 -22.552 -13.326 -6.713 1.00 0.00 O ATOM 1685 CB SER B 55 -25.083 -11.131 -6.621 1.00 0.00 C ATOM 1686 OG SER B 55 -26.494 -11.046 -6.509 1.00 0.00 O ATOM 0 H SER B 55 -24.050 -11.853 -3.820 1.00 0.00 H new ATOM 0 HA SER B 55 -25.002 -13.229 -6.153 1.00 0.00 H new ATOM 0 HB2 SER B 55 -24.632 -10.203 -6.271 1.00 0.00 H new ATOM 0 HB3 SER B 55 -24.805 -11.245 -7.669 1.00 0.00 H new ATOM 0 HG SER B 55 -26.840 -11.868 -6.103 1.00 0.00 H new ATOM 1692 N ALA B 56 -22.277 -11.484 -5.444 1.00 0.00 N ATOM 1693 CA ALA B 56 -20.823 -11.474 -5.572 1.00 0.00 C ATOM 1694 C ALA B 56 -20.403 -11.483 -7.039 1.00 0.00 C ATOM 1695 O ALA B 56 -19.491 -12.213 -7.430 1.00 0.00 O ATOM 1696 CB ALA B 56 -20.221 -12.663 -4.838 1.00 0.00 C ATOM 0 H ALA B 56 -22.655 -10.725 -4.876 1.00 0.00 H new ATOM 0 HA ALA B 56 -20.447 -10.556 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -19.136 -12.643 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -20.486 -12.611 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -20.609 -13.588 -5.264 1.00 0.00 H new ATOM 1702 N ILE B 57 -21.074 -10.668 -7.846 1.00 0.00 N ATOM 1703 CA ILE B 57 -20.773 -10.581 -9.270 1.00 0.00 C ATOM 1704 C ILE B 57 -19.341 -10.108 -9.502 1.00 0.00 C ATOM 1705 O ILE B 57 -18.890 -9.138 -8.893 1.00 0.00 O ATOM 1706 CB ILE B 57 -21.744 -9.623 -9.992 1.00 0.00 C ATOM 1707 CG1 ILE B 57 -23.192 -10.085 -9.802 1.00 0.00 C ATOM 1708 CG2 ILE B 57 -21.399 -9.530 -11.472 1.00 0.00 C ATOM 1709 CD1 ILE B 57 -23.469 -11.470 -10.349 1.00 0.00 C ATOM 0 H ILE B 57 -21.831 -10.058 -7.538 1.00 0.00 H new ATOM 0 HA ILE B 57 -20.891 -11.584 -9.681 1.00 0.00 H new ATOM 0 HB ILE B 57 -21.641 -8.630 -9.554 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -23.432 -10.070 -8.739 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -23.858 -9.372 -10.289 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -22.094 -8.850 -11.966 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -20.382 -9.155 -11.586 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -21.474 -10.518 -11.926 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -24.514 -11.727 -10.177 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -23.262 -11.487 -11.419 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -22.830 -12.195 -9.845 1.00 0.00 H new ATOM 1721 N SER B 58 -18.632 -10.802 -10.388 1.00 0.00 N ATOM 1722 CA SER B 58 -17.252 -10.455 -10.705 1.00 0.00 C ATOM 1723 C SER B 58 -17.173 -9.081 -11.361 1.00 0.00 C ATOM 1724 O SER B 58 -17.972 -8.756 -12.240 1.00 0.00 O ATOM 1725 CB SER B 58 -16.637 -11.509 -11.628 1.00 0.00 C ATOM 1726 OG SER B 58 -16.643 -12.788 -11.017 1.00 0.00 O ATOM 0 H SER B 58 -18.992 -11.608 -10.899 1.00 0.00 H new ATOM 0 HA SER B 58 -16.689 -10.426 -9.772 1.00 0.00 H new ATOM 0 HB2 SER B 58 -17.194 -11.547 -12.564 1.00 0.00 H new ATOM 0 HB3 SER B 58 -15.614 -11.226 -11.877 1.00 0.00 H new ATOM 0 HG SER B 58 -16.246 -13.444 -11.628 1.00 0.00 H new ATOM 1732 N GLU B 59 -16.205 -8.278 -10.929 1.00 0.00 N ATOM 1733 CA GLU B 59 -16.022 -6.938 -11.475 1.00 0.00 C ATOM 1734 C GLU B 59 -15.741 -6.995 -12.974 1.00 0.00 C ATOM 1735 O GLU B 59 -14.937 -7.805 -13.435 1.00 0.00 O ATOM 1736 CB GLU B 59 -14.877 -6.223 -10.755 1.00 0.00 C ATOM 1737 CG GLU B 59 -14.598 -4.826 -11.287 1.00 0.00 C ATOM 1738 CD GLU B 59 -13.472 -4.130 -10.548 1.00 0.00 C ATOM 1739 OE1 GLU B 59 -12.946 -4.715 -9.577 1.00 0.00 O ATOM 1740 OE2 GLU B 59 -13.118 -2.998 -10.936 1.00 0.00 O ATOM 0 H GLU B 59 -15.536 -8.532 -10.203 1.00 0.00 H new ATOM 0 HA GLU B 59 -16.945 -6.379 -11.318 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -15.112 -6.157 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -13.972 -6.824 -10.844 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -14.347 -4.889 -12.346 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -15.504 -4.225 -11.209 1.00 0.00 H new ATOM 1747 N ASP B 60 -16.411 -6.128 -13.729 1.00 0.00 N ATOM 1748 CA ASP B 60 -16.236 -6.078 -15.176 1.00 0.00 C ATOM 1749 C ASP B 60 -14.796 -5.725 -15.536 1.00 0.00 C ATOM 1750 O ASP B 60 -14.377 -4.586 -15.246 1.00 0.00 O ATOM 1751 CB ASP B 60 -17.195 -5.053 -15.789 1.00 0.00 C ATOM 1752 CG ASP B 60 -17.118 -5.014 -17.305 1.00 0.00 C ATOM 1753 OD1 ASP B 60 -16.346 -5.806 -17.885 1.00 0.00 O ATOM 1754 OD2 ASP B 60 -17.836 -4.191 -17.913 1.00 0.00 O ATOM 1755 OXT ASP B 60 -14.100 -6.593 -16.104 1.00 0.00 O ATOM 0 H ASP B 60 -17.080 -5.451 -13.362 1.00 0.00 H new ATOM 0 HA ASP B 60 -16.461 -7.064 -15.581 1.00 0.00 H new ATOM 0 HB2 ASP B 60 -18.215 -5.290 -15.487 1.00 0.00 H new ATOM 0 HB3 ASP B 60 -16.966 -4.064 -15.392 1.00 0.00 H new TER 1760 ASP B 60