USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= -0.54 USER MOD Set 2.1: A 68 GLN : amide:sc= -0.717 X(o=-0.72,f=-1.1) USER MOD Set 2.2: A 72 ASN : amide:sc= -1.14! K(o=-0.72!,f=-4.2) USER MOD Set 2.3: A 82 LYS NZ :NH3+ 169:sc= 1.14 (180deg=0) USER MOD Set 3.1: A 62 ASN : amide:sc= -2.64 K(o=-3.3,f=-11!) USER MOD Set 3.2: A 66 ASN : amide:sc= -0.633 K(o=-3.3,f=-8.8!) USER MOD Set 4.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 48 HIS :FLIP no HE2:sc= -3.6! C(o=-8.3!,f=-3.6!) USER MOD Set 5.1: A 23 TYR OH : rot 162:sc= 0.63 USER MOD Set 5.2: A 46 HIS : no HD1:sc= -2.75! X(o=-2.1!,f=-2.2) USER MOD Set 6.1: A 29 HIS : no HD1:sc= 0 K(o=-0.95,f=-1.5) USER MOD Set 6.2: A 30 ASN :FLIP amide:sc= -0.953 F(o=-3.8!,f=-0.95) USER MOD Set 6.3: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 9 LYS NZ :NH3+ -136:sc= -0.331 (180deg=0) USER MOD Set 7.2: A 97 LYS NZ :NH3+ -136:sc= -0.539 (180deg=-1.77) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -80:sc= -1.31 USER MOD Single : A 6 SER OG : rot 38:sc= 0.335 USER MOD Single : A 16 CYS SG : rot 160:sc= -0.519 USER MOD Single : A 17 GLN : amide:sc= 0.992 K(o=0.99,f=-1) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -71:sc= 1.14 USER MOD Single : A 25 ASN : amide:sc= -0.209 K(o=-0.21,f=-4.5!) USER MOD Single : A 27 ASN : amide:sc= -5.54! C(o=-5.5!,f=-9.1!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -122:sc= -0.954 USER MOD Single : A 42 ASN : amide:sc= -0.428 K(o=-0.43,f=-5.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -153:sc= -0.182 (180deg=-0.708) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= -0.956 (180deg=-1.21) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.88! C(o=-2.9!,f=-5.8!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0714 USER MOD Single : A 101 THR OG1 : rot 70:sc= 0.919 USER MOD Single : A 105 THR OG1 : rot -70:sc= 1.24 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc=-0.00523 X(o=-0.0052,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 161:sc= -2.35! (180deg=-2.9!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.116 5.001 -6.388 1.00 0.00 N ATOM 2 CA GLY A 1 19.759 4.430 -7.558 1.00 0.00 C ATOM 3 C GLY A 1 20.131 2.974 -7.362 1.00 0.00 C ATOM 4 O GLY A 1 19.640 2.100 -8.076 1.00 0.00 O ATOM 0 H1 GLY A 1 18.881 5.997 -6.572 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.245 4.473 -6.178 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.761 4.942 -5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.092 4.519 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.656 5.003 -7.792 1.00 0.00 H new ATOM 8 N SER A 2 21.002 2.713 -6.392 1.00 0.00 N ATOM 9 CA SER A 2 21.443 1.352 -6.109 1.00 0.00 C ATOM 10 C SER A 2 20.250 0.413 -5.961 1.00 0.00 C ATOM 11 O SER A 2 19.101 0.854 -5.909 1.00 0.00 O ATOM 12 CB SER A 2 22.289 1.323 -4.834 1.00 0.00 C ATOM 13 OG SER A 2 21.603 1.929 -3.753 1.00 0.00 O ATOM 0 H SER A 2 21.416 3.425 -5.790 1.00 0.00 H new ATOM 0 HA SER A 2 22.049 1.011 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.535 0.292 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.232 1.842 -5.007 1.00 0.00 H new ATOM 0 HG SER A 2 22.164 1.896 -2.950 1.00 0.00 H new ATOM 19 N SER A 3 20.530 -0.884 -5.895 1.00 0.00 N ATOM 20 CA SER A 3 19.481 -1.887 -5.758 1.00 0.00 C ATOM 21 C SER A 3 19.295 -2.282 -4.296 1.00 0.00 C ATOM 22 O SER A 3 20.169 -2.051 -3.462 1.00 0.00 O ATOM 23 CB SER A 3 19.816 -3.125 -6.593 1.00 0.00 C ATOM 24 OG SER A 3 21.058 -3.682 -6.202 1.00 0.00 O ATOM 0 H SER A 3 21.475 -1.265 -5.934 1.00 0.00 H new ATOM 0 HA SER A 3 18.549 -1.454 -6.122 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.028 -3.869 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.850 -2.857 -7.649 1.00 0.00 H new ATOM 0 HG SER A 3 21.249 -4.473 -6.749 1.00 0.00 H new ATOM 30 N GLY A 4 18.147 -2.880 -3.992 1.00 0.00 N ATOM 31 CA GLY A 4 17.865 -3.298 -2.632 1.00 0.00 C ATOM 32 C GLY A 4 18.185 -2.219 -1.616 1.00 0.00 C ATOM 33 O GLY A 4 19.233 -2.254 -0.972 1.00 0.00 O ATOM 0 H GLY A 4 17.407 -3.082 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.813 -3.570 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.444 -4.192 -2.402 1.00 0.00 H new ATOM 37 N SER A 5 17.279 -1.256 -1.472 1.00 0.00 N ATOM 38 CA SER A 5 17.473 -0.159 -0.532 1.00 0.00 C ATOM 39 C SER A 5 16.593 -0.338 0.701 1.00 0.00 C ATOM 40 O SER A 5 15.681 -1.165 0.712 1.00 0.00 O ATOM 41 CB SER A 5 17.162 1.179 -1.205 1.00 0.00 C ATOM 42 OG SER A 5 15.816 1.229 -1.642 1.00 0.00 O ATOM 0 H SER A 5 16.404 -1.214 -1.994 1.00 0.00 H new ATOM 0 HA SER A 5 18.516 -0.164 -0.216 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.351 1.994 -0.506 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.829 1.326 -2.054 1.00 0.00 H new ATOM 0 HG SER A 5 15.730 0.747 -2.491 1.00 0.00 H new ATOM 48 N SER A 6 16.872 0.444 1.739 1.00 0.00 N ATOM 49 CA SER A 6 16.107 0.371 2.979 1.00 0.00 C ATOM 50 C SER A 6 16.422 1.559 3.882 1.00 0.00 C ATOM 51 O SER A 6 17.553 1.725 4.337 1.00 0.00 O ATOM 52 CB SER A 6 16.412 -0.937 3.713 1.00 0.00 C ATOM 53 OG SER A 6 17.805 -1.102 3.904 1.00 0.00 O ATOM 0 H SER A 6 17.622 1.135 1.746 1.00 0.00 H new ATOM 0 HA SER A 6 15.047 0.400 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.906 -0.942 4.679 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.018 -1.778 3.143 1.00 0.00 H new ATOM 0 HG SER A 6 18.212 -0.235 4.111 1.00 0.00 H new ATOM 59 N GLY A 7 15.411 2.384 4.138 1.00 0.00 N ATOM 60 CA GLY A 7 15.600 3.547 4.985 1.00 0.00 C ATOM 61 C GLY A 7 14.819 4.752 4.497 1.00 0.00 C ATOM 62 O GLY A 7 13.700 4.999 4.947 1.00 0.00 O ATOM 0 H GLY A 7 14.465 2.268 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.292 3.306 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.660 3.796 5.024 1.00 0.00 H new ATOM 66 N ALA A 8 15.411 5.505 3.576 1.00 0.00 N ATOM 67 CA ALA A 8 14.763 6.691 3.027 1.00 0.00 C ATOM 68 C ALA A 8 13.358 6.368 2.532 1.00 0.00 C ATOM 69 O ALA A 8 12.857 5.260 2.728 1.00 0.00 O ATOM 70 CB ALA A 8 15.601 7.275 1.900 1.00 0.00 C ATOM 0 H ALA A 8 16.338 5.315 3.194 1.00 0.00 H new ATOM 0 HA ALA A 8 14.678 7.431 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.106 8.160 1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.584 7.551 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.715 6.533 1.109 1.00 0.00 H new ATOM 76 N LYS A 9 12.723 7.344 1.889 1.00 0.00 N ATOM 77 CA LYS A 9 11.376 7.164 1.364 1.00 0.00 C ATOM 78 C LYS A 9 11.327 7.471 -0.129 1.00 0.00 C ATOM 79 O LYS A 9 10.341 8.010 -0.631 1.00 0.00 O ATOM 80 CB LYS A 9 10.391 8.066 2.113 1.00 0.00 C ATOM 81 CG LYS A 9 10.706 9.546 1.988 1.00 0.00 C ATOM 82 CD LYS A 9 10.218 10.324 3.199 1.00 0.00 C ATOM 83 CE LYS A 9 8.812 10.862 2.985 1.00 0.00 C ATOM 84 NZ LYS A 9 8.582 12.128 3.735 1.00 0.00 N ATOM 0 H LYS A 9 13.121 8.268 1.720 1.00 0.00 H new ATOM 0 HA LYS A 9 11.092 6.122 1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.385 7.884 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.390 7.791 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.782 9.682 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.239 9.943 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.232 9.679 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.899 11.151 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.647 11.035 1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.085 10.115 3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.651 12.094 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.322 12.244 4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.612 12.932 3.076 1.00 0.00 H new ATOM 98 N ASP A 10 12.398 7.122 -0.835 1.00 0.00 N ATOM 99 CA ASP A 10 12.477 7.358 -2.272 1.00 0.00 C ATOM 100 C ASP A 10 12.228 6.069 -3.049 1.00 0.00 C ATOM 101 O ASP A 10 11.283 5.978 -3.832 1.00 0.00 O ATOM 102 CB ASP A 10 13.844 7.936 -2.641 1.00 0.00 C ATOM 103 CG ASP A 10 14.979 7.243 -1.915 1.00 0.00 C ATOM 104 OD1 ASP A 10 15.369 6.135 -2.341 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.481 7.810 -0.921 1.00 0.00 O ATOM 0 H ASP A 10 13.223 6.675 -0.435 1.00 0.00 H new ATOM 0 HA ASP A 10 11.703 8.077 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.995 7.846 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.861 9.000 -2.405 1.00 0.00 H new ATOM 110 N ALA A 11 13.083 5.076 -2.826 1.00 0.00 N ATOM 111 CA ALA A 11 12.956 3.793 -3.504 1.00 0.00 C ATOM 112 C ALA A 11 11.526 3.268 -3.422 1.00 0.00 C ATOM 113 O ALA A 11 10.975 2.783 -4.411 1.00 0.00 O ATOM 114 CB ALA A 11 13.925 2.783 -2.907 1.00 0.00 C ATOM 0 H ALA A 11 13.871 5.136 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 11 13.202 3.940 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.820 1.829 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.946 3.147 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.704 2.649 -1.848 1.00 0.00 H new ATOM 120 N LEU A 12 10.931 3.367 -2.238 1.00 0.00 N ATOM 121 CA LEU A 12 9.565 2.903 -2.027 1.00 0.00 C ATOM 122 C LEU A 12 8.566 3.801 -2.750 1.00 0.00 C ATOM 123 O LEU A 12 7.755 3.330 -3.548 1.00 0.00 O ATOM 124 CB LEU A 12 9.244 2.862 -0.533 1.00 0.00 C ATOM 125 CG LEU A 12 7.954 2.139 -0.142 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.000 0.686 -0.588 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.725 2.231 1.359 1.00 0.00 C ATOM 0 H LEU A 12 11.374 3.765 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 12 9.483 1.896 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.076 2.383 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.188 3.887 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 12 7.120 2.626 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.074 0.188 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.116 0.641 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.843 0.186 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.803 1.711 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.562 1.770 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.646 3.278 1.652 1.00 0.00 H new ATOM 139 N LEU A 13 8.633 5.097 -2.466 1.00 0.00 N ATOM 140 CA LEU A 13 7.735 6.063 -3.091 1.00 0.00 C ATOM 141 C LEU A 13 7.598 5.793 -4.586 1.00 0.00 C ATOM 142 O LEU A 13 6.488 5.721 -5.115 1.00 0.00 O ATOM 143 CB LEU A 13 8.247 7.487 -2.863 1.00 0.00 C ATOM 144 CG LEU A 13 7.350 8.613 -3.376 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.112 8.748 -2.504 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.119 9.927 -3.422 1.00 0.00 C ATOM 0 H LEU A 13 9.298 5.503 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 13 6.753 5.958 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.399 7.630 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.223 7.581 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 13 7.030 8.366 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.485 9.555 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.551 7.814 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.411 8.973 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.466 10.718 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.467 10.180 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.975 9.824 -4.089 1.00 0.00 H new ATOM 158 N LEU A 14 8.732 5.642 -5.260 1.00 0.00 N ATOM 159 CA LEU A 14 8.740 5.377 -6.695 1.00 0.00 C ATOM 160 C LEU A 14 7.946 4.115 -7.020 1.00 0.00 C ATOM 161 O LEU A 14 7.114 4.110 -7.927 1.00 0.00 O ATOM 162 CB LEU A 14 10.176 5.232 -7.199 1.00 0.00 C ATOM 163 CG LEU A 14 10.338 4.940 -8.692 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.787 6.089 -9.523 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.800 4.687 -9.031 1.00 0.00 C ATOM 0 H LEU A 14 9.658 5.698 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 14 8.268 6.221 -7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.715 6.151 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.657 4.431 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 14 9.770 4.041 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.911 5.864 -10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.728 6.223 -9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.327 7.005 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.896 4.481 -10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.390 5.568 -8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.163 3.831 -8.462 1.00 0.00 H new ATOM 177 N TRP A 15 8.206 3.050 -6.271 1.00 0.00 N ATOM 178 CA TRP A 15 7.514 1.782 -6.478 1.00 0.00 C ATOM 179 C TRP A 15 6.004 1.989 -6.528 1.00 0.00 C ATOM 180 O TRP A 15 5.360 1.691 -7.534 1.00 0.00 O ATOM 181 CB TRP A 15 7.869 0.796 -5.366 1.00 0.00 C ATOM 182 CG TRP A 15 7.462 -0.614 -5.669 1.00 0.00 C ATOM 183 CD1 TRP A 15 8.005 -1.440 -6.612 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.422 -1.362 -5.029 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.366 -2.656 -6.596 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.392 -2.634 -5.633 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.516 -1.082 -4.003 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.490 -3.621 -5.245 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.622 -2.063 -3.619 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.613 -3.319 -4.237 1.00 0.00 C ATOM 0 H TRP A 15 8.891 3.038 -5.515 1.00 0.00 H new ATOM 0 HA TRP A 15 7.838 1.371 -7.434 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.945 0.827 -5.193 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.388 1.114 -4.441 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.817 -1.176 -7.273 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.582 -3.447 -7.203 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.514 -0.117 -3.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.482 -4.590 -5.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.917 -1.857 -2.827 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.901 -4.064 -3.913 1.00 0.00 H new ATOM 201 N CYS A 16 5.445 2.502 -5.437 1.00 0.00 N ATOM 202 CA CYS A 16 4.010 2.748 -5.356 1.00 0.00 C ATOM 203 C CYS A 16 3.543 3.624 -6.514 1.00 0.00 C ATOM 204 O CYS A 16 2.496 3.374 -7.110 1.00 0.00 O ATOM 205 CB CYS A 16 3.659 3.412 -4.024 1.00 0.00 C ATOM 206 SG CYS A 16 4.153 2.457 -2.570 1.00 0.00 S ATOM 0 H CYS A 16 5.964 2.756 -4.596 1.00 0.00 H new ATOM 0 HA CYS A 16 3.498 1.788 -5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.136 4.391 -3.982 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.583 3.580 -3.987 1.00 0.00 H new ATOM 0 HG CYS A 16 4.215 3.242 -1.536 1.00 0.00 H new ATOM 212 N GLN A 17 4.326 4.651 -6.824 1.00 0.00 N ATOM 213 CA GLN A 17 3.990 5.566 -7.910 1.00 0.00 C ATOM 214 C GLN A 17 3.807 4.811 -9.222 1.00 0.00 C ATOM 215 O GLN A 17 2.881 5.087 -9.984 1.00 0.00 O ATOM 216 CB GLN A 17 5.081 6.626 -8.066 1.00 0.00 C ATOM 217 CG GLN A 17 4.967 7.770 -7.071 1.00 0.00 C ATOM 218 CD GLN A 17 5.911 8.914 -7.384 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.696 8.844 -8.331 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.841 9.975 -6.589 1.00 0.00 N ATOM 0 H GLN A 17 5.196 4.871 -6.340 1.00 0.00 H new ATOM 0 HA GLN A 17 3.049 6.056 -7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.056 6.152 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.041 7.030 -9.077 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.942 8.141 -7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.175 7.396 -6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.176 9.990 -5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.453 10.775 -6.751 1.00 0.00 H new ATOM 229 N MET A 18 4.695 3.855 -9.478 1.00 0.00 N ATOM 230 CA MET A 18 4.629 3.059 -10.698 1.00 0.00 C ATOM 231 C MET A 18 3.357 2.218 -10.731 1.00 0.00 C ATOM 232 O MET A 18 2.616 2.232 -11.714 1.00 0.00 O ATOM 233 CB MET A 18 5.857 2.153 -10.808 1.00 0.00 C ATOM 234 CG MET A 18 7.161 2.914 -10.987 1.00 0.00 C ATOM 235 SD MET A 18 8.503 1.864 -11.573 1.00 0.00 S ATOM 236 CE MET A 18 8.940 1.000 -10.066 1.00 0.00 C ATOM 0 H MET A 18 5.468 3.613 -8.857 1.00 0.00 H new ATOM 0 HA MET A 18 4.613 3.742 -11.547 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.925 1.537 -9.911 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.723 1.475 -11.651 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.007 3.729 -11.694 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.447 3.366 -10.037 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.760 0.310 -10.267 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.250 1.721 -9.310 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.077 0.442 -9.703 1.00 0.00 H new ATOM 246 N LYS A 19 3.109 1.486 -9.650 1.00 0.00 N ATOM 247 CA LYS A 19 1.927 0.639 -9.554 1.00 0.00 C ATOM 248 C LYS A 19 0.652 1.473 -9.630 1.00 0.00 C ATOM 249 O LYS A 19 -0.159 1.306 -10.541 1.00 0.00 O ATOM 250 CB LYS A 19 1.950 -0.158 -8.248 1.00 0.00 C ATOM 251 CG LYS A 19 3.242 -0.925 -8.027 1.00 0.00 C ATOM 252 CD LYS A 19 3.468 -1.962 -9.116 1.00 0.00 C ATOM 253 CE LYS A 19 4.367 -3.091 -8.633 1.00 0.00 C ATOM 254 NZ LYS A 19 4.244 -4.302 -9.488 1.00 0.00 N ATOM 0 H LYS A 19 3.712 1.463 -8.828 1.00 0.00 H new ATOM 0 HA LYS A 19 1.938 -0.054 -10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.795 0.525 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.116 -0.859 -8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.081 -0.229 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.212 -1.417 -7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.509 -2.370 -9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.917 -1.485 -9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.403 -2.753 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.110 -3.345 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.872 -5.048 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.260 -4.640 -9.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.514 -4.066 -10.464 1.00 0.00 H new ATOM 268 N THR A 20 0.482 2.375 -8.667 1.00 0.00 N ATOM 269 CA THR A 20 -0.693 3.236 -8.625 1.00 0.00 C ATOM 270 C THR A 20 -0.907 3.940 -9.960 1.00 0.00 C ATOM 271 O THR A 20 -2.039 4.211 -10.355 1.00 0.00 O ATOM 272 CB THR A 20 -0.575 4.294 -7.512 1.00 0.00 C ATOM 273 OG1 THR A 20 0.582 5.108 -7.731 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.486 3.633 -6.145 1.00 0.00 C ATOM 0 H THR A 20 1.144 2.528 -7.906 1.00 0.00 H new ATOM 0 HA THR A 20 -1.548 2.593 -8.415 1.00 0.00 H new ATOM 0 HB THR A 20 -1.468 4.919 -7.538 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.390 4.583 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.403 4.400 -5.375 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.382 3.038 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.391 2.987 -6.110 1.00 0.00 H new ATOM 282 N ALA A 21 0.190 4.234 -10.650 1.00 0.00 N ATOM 283 CA ALA A 21 0.122 4.906 -11.942 1.00 0.00 C ATOM 284 C ALA A 21 -1.077 4.422 -12.750 1.00 0.00 C ATOM 285 O ALA A 21 -1.846 5.224 -13.279 1.00 0.00 O ATOM 286 CB ALA A 21 1.410 4.681 -12.722 1.00 0.00 C ATOM 0 H ALA A 21 1.136 4.018 -10.336 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.001 5.974 -11.762 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.346 5.188 -13.685 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.252 5.081 -12.157 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.556 3.613 -12.884 1.00 0.00 H new ATOM 292 N GLY A 22 -1.233 3.105 -12.840 1.00 0.00 N ATOM 293 CA GLY A 22 -2.342 2.537 -13.585 1.00 0.00 C ATOM 294 C GLY A 22 -3.602 3.372 -13.476 1.00 0.00 C ATOM 295 O GLY A 22 -4.297 3.593 -14.467 1.00 0.00 O ATOM 0 H GLY A 22 -0.611 2.421 -12.410 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.061 2.444 -14.634 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.544 1.530 -13.219 1.00 0.00 H new ATOM 299 N TYR A 23 -3.898 3.838 -12.267 1.00 0.00 N ATOM 300 CA TYR A 23 -5.085 4.650 -12.031 1.00 0.00 C ATOM 301 C TYR A 23 -4.736 6.136 -12.022 1.00 0.00 C ATOM 302 O TYR A 23 -3.751 6.565 -11.420 1.00 0.00 O ATOM 303 CB TYR A 23 -5.739 4.261 -10.704 1.00 0.00 C ATOM 304 CG TYR A 23 -5.711 2.774 -10.428 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.556 2.153 -9.973 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.843 1.992 -10.623 1.00 0.00 C ATOM 307 CE1 TYR A 23 -4.526 0.796 -9.721 1.00 0.00 C ATOM 308 CE2 TYR A 23 -6.823 0.632 -10.372 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.663 0.039 -9.922 1.00 0.00 C ATOM 310 OH TYR A 23 -5.638 -1.313 -9.671 1.00 0.00 O ATOM 0 H TYR A 23 -3.332 3.667 -11.436 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.788 4.465 -12.843 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.232 4.782 -9.892 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.774 4.602 -10.705 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.665 2.742 -9.813 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.753 2.454 -10.976 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.618 0.329 -9.369 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.711 0.038 -10.528 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.555 -1.646 -9.580 1.00 0.00 H new ATOM 320 N PRO A 24 -5.563 6.940 -12.706 1.00 0.00 N ATOM 321 CA PRO A 24 -5.364 8.390 -12.793 1.00 0.00 C ATOM 322 C PRO A 24 -5.624 9.091 -11.464 1.00 0.00 C ATOM 323 O PRO A 24 -4.813 9.896 -11.007 1.00 0.00 O ATOM 324 CB PRO A 24 -6.394 8.827 -13.838 1.00 0.00 C ATOM 325 CG PRO A 24 -7.457 7.785 -13.783 1.00 0.00 C ATOM 326 CD PRO A 24 -6.756 6.497 -13.447 1.00 0.00 C ATOM 0 HA PRO A 24 -4.337 8.646 -13.053 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.795 9.814 -13.609 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.949 8.886 -14.831 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.205 8.030 -13.030 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.978 7.708 -14.737 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.385 5.843 -12.842 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.487 5.940 -14.345 1.00 0.00 H new ATOM 334 N ASN A 25 -6.759 8.779 -10.847 1.00 0.00 N ATOM 335 CA ASN A 25 -7.125 9.379 -9.569 1.00 0.00 C ATOM 336 C ASN A 25 -6.069 9.086 -8.508 1.00 0.00 C ATOM 337 O ASN A 25 -5.664 9.973 -7.758 1.00 0.00 O ATOM 338 CB ASN A 25 -8.487 8.857 -9.108 1.00 0.00 C ATOM 339 CG ASN A 25 -8.721 7.415 -9.513 1.00 0.00 C ATOM 340 OD1 ASN A 25 -8.904 7.112 -10.693 1.00 0.00 O ATOM 341 ND2 ASN A 25 -8.716 6.518 -8.535 1.00 0.00 N ATOM 0 H ASN A 25 -7.441 8.114 -11.211 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.185 10.459 -9.707 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.558 8.943 -8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.274 9.482 -9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.868 5.532 -8.747 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.560 6.815 -7.572 1.00 0.00 H new ATOM 348 N VAL A 26 -5.628 7.834 -8.451 1.00 0.00 N ATOM 349 CA VAL A 26 -4.618 7.421 -7.484 1.00 0.00 C ATOM 350 C VAL A 26 -3.248 7.987 -7.844 1.00 0.00 C ATOM 351 O VAL A 26 -2.669 7.632 -8.870 1.00 0.00 O ATOM 352 CB VAL A 26 -4.520 5.887 -7.392 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.512 5.478 -6.329 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.885 5.282 -7.106 1.00 0.00 C ATOM 0 H VAL A 26 -5.955 7.087 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.928 7.815 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.173 5.505 -8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.457 4.391 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.531 5.880 -6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.824 5.870 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.797 4.197 -7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.264 5.670 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.575 5.545 -7.908 1.00 0.00 H new ATOM 364 N ASN A 27 -2.736 8.869 -6.992 1.00 0.00 N ATOM 365 CA ASN A 27 -1.433 9.484 -7.220 1.00 0.00 C ATOM 366 C ASN A 27 -0.612 9.512 -5.935 1.00 0.00 C ATOM 367 O ASN A 27 -0.930 10.243 -4.998 1.00 0.00 O ATOM 368 CB ASN A 27 -1.605 10.906 -7.760 1.00 0.00 C ATOM 369 CG ASN A 27 -2.422 10.944 -9.038 1.00 0.00 C ATOM 370 OD1 ASN A 27 -2.967 9.929 -9.470 1.00 0.00 O ATOM 371 ND2 ASN A 27 -2.509 12.120 -9.648 1.00 0.00 N ATOM 0 H ASN A 27 -3.203 9.174 -6.138 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.900 8.884 -7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.090 11.523 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.624 11.342 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.045 12.208 -10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.040 12.935 -9.253 1.00 0.00 H new ATOM 378 N VAL A 28 0.449 8.710 -5.900 1.00 0.00 N ATOM 379 CA VAL A 28 1.317 8.644 -4.731 1.00 0.00 C ATOM 380 C VAL A 28 2.371 9.745 -4.767 1.00 0.00 C ATOM 381 O VAL A 28 3.520 9.508 -5.142 1.00 0.00 O ATOM 382 CB VAL A 28 2.022 7.277 -4.633 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.929 7.231 -3.413 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.998 6.153 -4.588 1.00 0.00 C ATOM 0 H VAL A 28 0.727 8.098 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 28 0.682 8.781 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 28 2.639 7.141 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.418 6.259 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.684 8.013 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.336 7.388 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.513 5.195 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.354 6.282 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.393 6.175 -5.494 1.00 0.00 H new ATOM 394 N HIS A 29 1.974 10.950 -4.374 1.00 0.00 N ATOM 395 CA HIS A 29 2.885 12.090 -4.359 1.00 0.00 C ATOM 396 C HIS A 29 3.567 12.222 -3.001 1.00 0.00 C ATOM 397 O HIS A 29 4.739 12.588 -2.918 1.00 0.00 O ATOM 398 CB HIS A 29 2.131 13.377 -4.692 1.00 0.00 C ATOM 399 CG HIS A 29 3.005 14.593 -4.717 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.241 15.374 -3.605 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.702 15.162 -5.729 1.00 0.00 C ATOM 402 CE1 HIS A 29 4.045 16.370 -3.932 1.00 0.00 C ATOM 403 NE2 HIS A 29 4.339 16.264 -5.215 1.00 0.00 N ATOM 0 H HIS A 29 1.027 11.163 -4.061 1.00 0.00 H new ATOM 0 HA HIS A 29 3.651 11.921 -5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.650 13.265 -5.664 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.338 13.524 -3.959 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.748 14.814 -6.750 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.401 17.140 -3.264 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.942 16.898 -5.739 1.00 0.00 H new ATOM 412 N ASN A 30 2.826 11.922 -1.939 1.00 0.00 N ATOM 413 CA ASN A 30 3.359 12.009 -0.585 1.00 0.00 C ATOM 414 C ASN A 30 3.027 10.751 0.212 1.00 0.00 C ATOM 415 O ASN A 30 2.370 9.840 -0.290 1.00 0.00 O ATOM 416 CB ASN A 30 2.799 13.241 0.128 1.00 0.00 C ATOM 417 CG ASN A 30 1.392 13.580 -0.323 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.459 12.665 -0.087 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.146 14.651 -0.877 1.00 0.00 N flip ATOM 0 H ASN A 30 1.854 11.616 -1.991 1.00 0.00 H new ATOM 0 HA ASN A 30 4.443 12.099 -0.653 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.801 13.067 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.452 14.093 -0.058 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.894 15.325 -1.038 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.194 14.864 -1.175 1.00 0.00 H new ATOM 426 N PHE A 31 3.488 10.709 1.459 1.00 0.00 N ATOM 427 CA PHE A 31 3.240 9.564 2.326 1.00 0.00 C ATOM 428 C PHE A 31 2.326 9.947 3.486 1.00 0.00 C ATOM 429 O PHE A 31 2.274 9.257 4.505 1.00 0.00 O ATOM 430 CB PHE A 31 4.561 9.010 2.863 1.00 0.00 C ATOM 431 CG PHE A 31 5.296 8.148 1.877 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.735 6.966 1.417 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.546 8.518 1.409 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.409 6.171 0.509 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.225 7.727 0.501 1.00 0.00 C ATOM 436 CZ PHE A 31 6.655 6.552 0.050 1.00 0.00 C ATOM 0 H PHE A 31 4.035 11.454 1.890 1.00 0.00 H new ATOM 0 HA PHE A 31 2.744 8.794 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.202 9.842 3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.362 8.429 3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.761 6.663 1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.996 9.436 1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.962 5.253 0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.199 8.027 0.145 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.183 5.933 -0.660 1.00 0.00 H new ATOM 446 N THR A 32 1.608 11.054 3.325 1.00 0.00 N ATOM 447 CA THR A 32 0.698 11.531 4.358 1.00 0.00 C ATOM 448 C THR A 32 -0.707 11.735 3.803 1.00 0.00 C ATOM 449 O THR A 32 -1.665 11.112 4.262 1.00 0.00 O ATOM 450 CB THR A 32 1.191 12.855 4.973 1.00 0.00 C ATOM 451 OG1 THR A 32 1.723 13.703 3.949 1.00 0.00 O ATOM 452 CG2 THR A 32 2.255 12.599 6.029 1.00 0.00 C ATOM 0 H THR A 32 1.639 11.637 2.489 1.00 0.00 H new ATOM 0 HA THR A 32 0.672 10.765 5.133 1.00 0.00 H new ATOM 0 HB THR A 32 0.342 13.347 5.447 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.032 14.543 4.348 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.587 13.549 6.448 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.839 11.978 6.822 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.103 12.087 5.574 1.00 0.00 H new ATOM 460 N THR A 33 -0.824 12.610 2.809 1.00 0.00 N ATOM 461 CA THR A 33 -2.113 12.896 2.191 1.00 0.00 C ATOM 462 C THR A 33 -2.307 12.075 0.921 1.00 0.00 C ATOM 463 O THR A 33 -2.905 12.544 -0.047 1.00 0.00 O ATOM 464 CB THR A 33 -2.252 14.391 1.847 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.268 14.766 0.877 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.095 15.248 3.094 1.00 0.00 C ATOM 0 H THR A 33 -0.042 13.133 2.415 1.00 0.00 H new ATOM 0 HA THR A 33 -2.879 12.625 2.918 1.00 0.00 H new ATOM 0 HB THR A 33 -3.247 14.555 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.365 15.718 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.197 16.300 2.828 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.865 14.981 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.111 15.078 3.531 1.00 0.00 H new ATOM 474 N SER A 34 -1.800 10.847 0.933 1.00 0.00 N ATOM 475 CA SER A 34 -1.914 9.960 -0.220 1.00 0.00 C ATOM 476 C SER A 34 -2.591 8.650 0.168 1.00 0.00 C ATOM 477 O SER A 34 -3.264 8.021 -0.649 1.00 0.00 O ATOM 478 CB SER A 34 -0.533 9.679 -0.814 1.00 0.00 C ATOM 479 OG SER A 34 -0.640 9.040 -2.074 1.00 0.00 O ATOM 0 H SER A 34 -1.306 10.443 1.728 1.00 0.00 H new ATOM 0 HA SER A 34 -2.528 10.457 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.017 10.614 -0.922 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.039 9.050 -0.131 1.00 0.00 H new ATOM 0 HG SER A 34 -0.165 8.183 -2.048 1.00 0.00 H new ATOM 485 N TRP A 35 -2.406 8.244 1.419 1.00 0.00 N ATOM 486 CA TRP A 35 -2.998 7.007 1.916 1.00 0.00 C ATOM 487 C TRP A 35 -4.115 7.301 2.912 1.00 0.00 C ATOM 488 O TRP A 35 -4.798 6.388 3.380 1.00 0.00 O ATOM 489 CB TRP A 35 -1.929 6.134 2.575 1.00 0.00 C ATOM 490 CG TRP A 35 -0.639 6.097 1.810 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.294 7.091 1.730 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.143 5.014 1.018 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.340 6.689 0.935 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.096 5.419 0.486 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.626 3.740 0.706 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.858 4.594 -0.338 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.131 2.923 -0.112 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.362 3.353 -0.626 1.00 0.00 C ATOM 0 H TRP A 35 -1.851 8.753 2.107 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.423 6.471 1.068 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.736 6.505 3.581 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.312 5.119 2.678 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.221 8.051 2.219 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.165 7.247 0.715 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.574 3.400 1.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.807 4.923 -0.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.232 1.936 -0.359 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.930 2.691 -1.262 1.00 0.00 H new ATOM 509 N ARG A 36 -4.298 8.578 3.231 1.00 0.00 N ATOM 510 CA ARG A 36 -5.332 8.990 4.172 1.00 0.00 C ATOM 511 C ARG A 36 -6.688 8.411 3.778 1.00 0.00 C ATOM 512 O ARG A 36 -7.378 7.808 4.600 1.00 0.00 O ATOM 513 CB ARG A 36 -5.416 10.516 4.235 1.00 0.00 C ATOM 514 CG ARG A 36 -6.577 11.028 5.071 1.00 0.00 C ATOM 515 CD ARG A 36 -7.822 11.240 4.223 1.00 0.00 C ATOM 516 NE ARG A 36 -7.675 12.367 3.306 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.615 12.741 2.445 1.00 0.00 C ATOM 518 NH1 ARG A 36 -9.764 12.083 2.385 1.00 0.00 N ATOM 519 NH2 ARG A 36 -8.407 13.778 1.643 1.00 0.00 N ATOM 0 H ARG A 36 -3.743 9.345 2.851 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.065 8.607 5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.484 10.906 4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.508 10.908 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.795 10.317 5.868 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.297 11.967 5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.031 10.334 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.679 11.412 4.874 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.803 12.896 3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.929 11.287 3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.484 12.373 1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.525 14.288 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.129 14.065 0.982 1.00 0.00 H new ATOM 533 N ASP A 37 -7.061 8.599 2.518 1.00 0.00 N ATOM 534 CA ASP A 37 -8.334 8.095 2.014 1.00 0.00 C ATOM 535 C ASP A 37 -8.366 6.570 2.048 1.00 0.00 C ATOM 536 O ASP A 37 -9.185 5.972 2.745 1.00 0.00 O ATOM 537 CB ASP A 37 -8.575 8.592 0.588 1.00 0.00 C ATOM 538 CG ASP A 37 -10.000 8.359 0.126 1.00 0.00 C ATOM 539 OD1 ASP A 37 -10.424 7.185 0.079 1.00 0.00 O ATOM 540 OD2 ASP A 37 -10.691 9.351 -0.188 1.00 0.00 O ATOM 0 H ASP A 37 -6.501 9.097 1.826 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.127 8.471 2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.348 9.657 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.889 8.086 -0.091 1.00 0.00 H new ATOM 545 N GLY A 38 -7.470 5.947 1.288 1.00 0.00 N ATOM 546 CA GLY A 38 -7.413 4.498 1.245 1.00 0.00 C ATOM 547 C GLY A 38 -7.148 3.970 -0.151 1.00 0.00 C ATOM 548 O GLY A 38 -6.405 3.003 -0.326 1.00 0.00 O ATOM 0 H GLY A 38 -6.783 6.420 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.630 4.148 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.354 4.089 1.612 1.00 0.00 H new ATOM 552 N LEU A 39 -7.758 4.602 -1.147 1.00 0.00 N ATOM 553 CA LEU A 39 -7.585 4.190 -2.535 1.00 0.00 C ATOM 554 C LEU A 39 -6.176 3.657 -2.773 1.00 0.00 C ATOM 555 O LEU A 39 -5.997 2.586 -3.354 1.00 0.00 O ATOM 556 CB LEU A 39 -7.864 5.363 -3.476 1.00 0.00 C ATOM 557 CG LEU A 39 -9.327 5.793 -3.597 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.458 6.983 -4.536 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.186 4.634 -4.080 1.00 0.00 C ATOM 0 H LEU A 39 -8.377 5.402 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.296 3.390 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.281 6.220 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.500 5.101 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.680 6.094 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.506 7.275 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.875 7.818 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.087 6.710 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.223 4.959 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.833 4.302 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.118 3.810 -3.370 1.00 0.00 H new ATOM 571 N ALA A 40 -5.180 4.409 -2.320 1.00 0.00 N ATOM 572 CA ALA A 40 -3.787 4.010 -2.479 1.00 0.00 C ATOM 573 C ALA A 40 -3.596 2.536 -2.138 1.00 0.00 C ATOM 574 O ALA A 40 -3.136 1.751 -2.966 1.00 0.00 O ATOM 575 CB ALA A 40 -2.887 4.877 -1.612 1.00 0.00 C ATOM 0 H ALA A 40 -5.311 5.299 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.511 4.152 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.850 4.568 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.994 5.921 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.172 4.765 -0.566 1.00 0.00 H new ATOM 581 N PHE A 41 -3.950 2.167 -0.911 1.00 0.00 N ATOM 582 CA PHE A 41 -3.816 0.788 -0.459 1.00 0.00 C ATOM 583 C PHE A 41 -4.657 -0.152 -1.319 1.00 0.00 C ATOM 584 O PHE A 41 -4.203 -1.228 -1.706 1.00 0.00 O ATOM 585 CB PHE A 41 -4.235 0.666 1.008 1.00 0.00 C ATOM 586 CG PHE A 41 -3.253 1.280 1.964 1.00 0.00 C ATOM 587 CD1 PHE A 41 -2.002 0.716 2.150 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.583 2.420 2.679 1.00 0.00 C ATOM 589 CE1 PHE A 41 -1.095 1.278 3.029 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.681 2.987 3.559 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.437 2.415 3.735 1.00 0.00 C ATOM 0 H PHE A 41 -4.332 2.804 -0.212 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.769 0.502 -0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.206 1.143 1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.361 -0.388 1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.732 -0.174 1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.556 2.870 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.122 0.829 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.949 3.877 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.732 2.856 4.424 1.00 0.00 H new ATOM 601 N ASN A 42 -5.884 0.265 -1.614 1.00 0.00 N ATOM 602 CA ASN A 42 -6.789 -0.538 -2.428 1.00 0.00 C ATOM 603 C ASN A 42 -6.356 -0.532 -3.892 1.00 0.00 C ATOM 604 O ASN A 42 -7.019 -1.115 -4.748 1.00 0.00 O ATOM 605 CB ASN A 42 -8.220 -0.012 -2.306 1.00 0.00 C ATOM 606 CG ASN A 42 -8.713 -0.006 -0.872 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.941 -1.060 -0.278 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.880 1.184 -0.308 1.00 0.00 N ATOM 0 H ASN A 42 -6.274 1.154 -1.302 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.753 -1.564 -2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.268 1.000 -2.708 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.884 -0.628 -2.913 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.210 1.250 0.655 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.679 2.032 -0.838 1.00 0.00 H new ATOM 615 N ALA A 43 -5.239 0.133 -4.169 1.00 0.00 N ATOM 616 CA ALA A 43 -4.717 0.214 -5.527 1.00 0.00 C ATOM 617 C ALA A 43 -3.557 -0.756 -5.728 1.00 0.00 C ATOM 618 O ALA A 43 -3.467 -1.426 -6.757 1.00 0.00 O ATOM 619 CB ALA A 43 -4.277 1.637 -5.841 1.00 0.00 C ATOM 0 H ALA A 43 -4.679 0.623 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.516 -0.067 -6.213 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.889 1.682 -6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.129 2.310 -5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.497 1.939 -5.142 1.00 0.00 H new ATOM 625 N ILE A 44 -2.672 -0.825 -4.739 1.00 0.00 N ATOM 626 CA ILE A 44 -1.518 -1.713 -4.808 1.00 0.00 C ATOM 627 C ILE A 44 -1.953 -3.171 -4.927 1.00 0.00 C ATOM 628 O ILE A 44 -1.469 -3.906 -5.787 1.00 0.00 O ATOM 629 CB ILE A 44 -0.614 -1.559 -3.571 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.128 -0.113 -3.445 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.566 -2.514 -3.655 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.375 0.237 -2.062 1.00 0.00 C ATOM 0 H ILE A 44 -2.732 -0.277 -3.881 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.955 -1.430 -5.697 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.194 -1.807 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.670 0.058 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.944 0.560 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.195 -2.393 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.201 -3.540 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.149 -2.295 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.703 1.276 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.427 0.099 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.212 -0.412 -1.804 1.00 0.00 H new ATOM 644 N VAL A 45 -2.871 -3.581 -4.058 1.00 0.00 N ATOM 645 CA VAL A 45 -3.375 -4.949 -4.067 1.00 0.00 C ATOM 646 C VAL A 45 -4.195 -5.225 -5.322 1.00 0.00 C ATOM 647 O VAL A 45 -3.843 -6.084 -6.131 1.00 0.00 O ATOM 648 CB VAL A 45 -4.241 -5.237 -2.827 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.734 -6.676 -2.841 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.462 -4.945 -1.553 1.00 0.00 C ATOM 0 H VAL A 45 -3.281 -2.985 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.505 -5.606 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.110 -4.580 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.344 -6.860 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.332 -6.847 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.880 -7.353 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.090 -5.154 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.573 -5.575 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.164 -3.896 -1.541 1.00 0.00 H new ATOM 660 N HIS A 46 -5.291 -4.489 -5.479 1.00 0.00 N ATOM 661 CA HIS A 46 -6.162 -4.654 -6.637 1.00 0.00 C ATOM 662 C HIS A 46 -5.350 -4.984 -7.885 1.00 0.00 C ATOM 663 O HIS A 46 -5.718 -5.863 -8.665 1.00 0.00 O ATOM 664 CB HIS A 46 -6.983 -3.385 -6.868 1.00 0.00 C ATOM 665 CG HIS A 46 -8.046 -3.540 -7.913 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.819 -3.325 -9.255 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.348 -3.895 -7.804 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.936 -3.538 -9.927 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.878 -3.886 -9.071 1.00 0.00 N ATOM 0 H HIS A 46 -5.597 -3.773 -4.820 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.839 -5.484 -6.437 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.449 -3.088 -5.929 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.313 -2.577 -7.161 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.872 -4.139 -6.892 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.058 -3.443 -10.996 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.843 -4.112 -9.311 1.00 0.00 H new ATOM 678 N LYS A 47 -4.244 -4.271 -8.071 1.00 0.00 N ATOM 679 CA LYS A 47 -3.378 -4.487 -9.225 1.00 0.00 C ATOM 680 C LYS A 47 -2.897 -5.935 -9.280 1.00 0.00 C ATOM 681 O LYS A 47 -2.948 -6.575 -10.330 1.00 0.00 O ATOM 682 CB LYS A 47 -2.177 -3.541 -9.170 1.00 0.00 C ATOM 683 CG LYS A 47 -1.468 -3.382 -10.505 1.00 0.00 C ATOM 684 CD LYS A 47 -2.155 -2.348 -11.380 1.00 0.00 C ATOM 685 CE LYS A 47 -1.172 -1.680 -12.329 1.00 0.00 C ATOM 686 NZ LYS A 47 -0.813 -2.567 -13.471 1.00 0.00 N ATOM 0 H LYS A 47 -3.926 -3.538 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.955 -4.280 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.511 -2.562 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.466 -3.912 -8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.433 -3.087 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.445 -4.341 -11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.949 -2.825 -11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.626 -1.593 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.606 -0.755 -12.710 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.269 -1.407 -11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.141 -2.075 -14.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.376 -3.439 -13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.671 -2.807 -14.007 1.00 0.00 H new ATOM 700 N HIS A 48 -2.432 -6.442 -8.144 1.00 0.00 N ATOM 701 CA HIS A 48 -1.944 -7.815 -8.063 1.00 0.00 C ATOM 702 C HIS A 48 -3.104 -8.806 -8.077 1.00 0.00 C ATOM 703 O HIS A 48 -3.104 -9.766 -8.847 1.00 0.00 O ATOM 704 CB HIS A 48 -1.108 -8.008 -6.798 1.00 0.00 C ATOM 705 CG HIS A 48 -0.099 -6.924 -6.576 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.213 -6.219 -5.463 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.729 -6.451 -7.572 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.213 -5.343 -5.803 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.507 -5.502 -7.081 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.382 -5.924 -7.267 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.318 -8.004 -8.935 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.774 -8.055 -5.936 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.592 -8.967 -6.856 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.216 -6.320 -4.543 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.740 -6.801 -8.594 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.684 -4.638 -5.134 1.00 0.00 H new ATOM 718 N ARG A 49 -4.091 -8.566 -7.220 1.00 0.00 N ATOM 719 CA ARG A 49 -5.256 -9.439 -7.132 1.00 0.00 C ATOM 720 C ARG A 49 -6.546 -8.637 -7.274 1.00 0.00 C ATOM 721 O ARG A 49 -7.131 -8.176 -6.295 1.00 0.00 O ATOM 722 CB ARG A 49 -5.256 -10.192 -5.801 1.00 0.00 C ATOM 723 CG ARG A 49 -3.993 -11.005 -5.561 1.00 0.00 C ATOM 724 CD ARG A 49 -4.018 -12.314 -6.337 1.00 0.00 C ATOM 725 NE ARG A 49 -4.821 -13.333 -5.666 1.00 0.00 N ATOM 726 CZ ARG A 49 -4.676 -14.636 -5.873 1.00 0.00 C ATOM 727 NH1 ARG A 49 -3.763 -15.077 -6.727 1.00 0.00 N ATOM 728 NH2 ARG A 49 -5.444 -15.502 -5.225 1.00 0.00 N ATOM 0 H ARG A 49 -4.107 -7.775 -6.577 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.203 -10.159 -7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.377 -9.476 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.118 -10.858 -5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.121 -10.421 -5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.890 -11.214 -4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.418 -12.136 -7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.999 -12.680 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.532 -13.027 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.170 -14.414 -7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.654 -16.079 -6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.147 -15.167 -4.567 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.331 -16.503 -5.385 1.00 0.00 H new ATOM 742 N PRO A 50 -7.002 -8.467 -8.525 1.00 0.00 N ATOM 743 CA PRO A 50 -8.228 -7.722 -8.826 1.00 0.00 C ATOM 744 C PRO A 50 -9.482 -8.457 -8.365 1.00 0.00 C ATOM 745 O PRO A 50 -10.602 -8.022 -8.631 1.00 0.00 O ATOM 746 CB PRO A 50 -8.206 -7.605 -10.352 1.00 0.00 C ATOM 747 CG PRO A 50 -7.390 -8.765 -10.809 1.00 0.00 C ATOM 748 CD PRO A 50 -6.355 -8.989 -9.740 1.00 0.00 C ATOM 0 HA PRO A 50 -8.258 -6.761 -8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.213 -7.642 -10.766 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.765 -6.661 -10.670 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.011 -9.651 -10.943 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.920 -8.557 -11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.103 -10.045 -9.639 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.428 -8.460 -9.961 1.00 0.00 H new ATOM 756 N ASP A 51 -9.285 -9.574 -7.673 1.00 0.00 N ATOM 757 CA ASP A 51 -10.400 -10.370 -7.173 1.00 0.00 C ATOM 758 C ASP A 51 -10.697 -10.035 -5.715 1.00 0.00 C ATOM 759 O ASP A 51 -11.856 -9.900 -5.320 1.00 0.00 O ATOM 760 CB ASP A 51 -10.094 -11.861 -7.314 1.00 0.00 C ATOM 761 CG ASP A 51 -10.132 -12.326 -8.757 1.00 0.00 C ATOM 762 OD1 ASP A 51 -11.246 -12.515 -9.291 1.00 0.00 O ATOM 763 OD2 ASP A 51 -9.049 -12.500 -9.352 1.00 0.00 O ATOM 0 H ASP A 51 -8.364 -9.949 -7.446 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.281 -10.130 -7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.110 -12.068 -6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.816 -12.434 -6.732 1.00 0.00 H new ATOM 768 N LEU A 52 -9.642 -9.903 -4.917 1.00 0.00 N ATOM 769 CA LEU A 52 -9.789 -9.585 -3.501 1.00 0.00 C ATOM 770 C LEU A 52 -10.849 -8.508 -3.292 1.00 0.00 C ATOM 771 O LEU A 52 -11.915 -8.770 -2.733 1.00 0.00 O ATOM 772 CB LEU A 52 -8.452 -9.120 -2.922 1.00 0.00 C ATOM 773 CG LEU A 52 -7.292 -10.112 -3.029 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.071 -9.588 -2.291 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.703 -11.472 -2.485 1.00 0.00 C ATOM 0 H LEU A 52 -8.676 -10.011 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.109 -10.489 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.162 -8.197 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.600 -8.877 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.033 -10.226 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.257 -10.307 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.763 -8.637 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.316 -9.444 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.866 -12.165 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.989 -11.374 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.548 -11.853 -3.058 1.00 0.00 H new ATOM 787 N LEU A 53 -10.550 -7.295 -3.746 1.00 0.00 N ATOM 788 CA LEU A 53 -11.478 -6.179 -3.611 1.00 0.00 C ATOM 789 C LEU A 53 -11.835 -5.599 -4.976 1.00 0.00 C ATOM 790 O LEU A 53 -11.136 -5.831 -5.962 1.00 0.00 O ATOM 791 CB LEU A 53 -10.869 -5.089 -2.726 1.00 0.00 C ATOM 792 CG LEU A 53 -9.506 -4.552 -3.163 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.210 -3.227 -2.478 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.412 -5.566 -2.861 1.00 0.00 C ATOM 0 H LEU A 53 -9.673 -7.060 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.390 -6.551 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.568 -4.254 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.775 -5.482 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.531 -4.384 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.236 -2.860 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.978 -2.500 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.204 -3.369 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.449 -5.167 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.387 -5.766 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.616 -6.492 -3.398 1.00 0.00 H new ATOM 806 N ASP A 54 -12.927 -4.845 -5.025 1.00 0.00 N ATOM 807 CA ASP A 54 -13.376 -4.229 -6.268 1.00 0.00 C ATOM 808 C ASP A 54 -13.149 -2.720 -6.241 1.00 0.00 C ATOM 809 O ASP A 54 -14.009 -1.961 -5.792 1.00 0.00 O ATOM 810 CB ASP A 54 -14.856 -4.530 -6.506 1.00 0.00 C ATOM 811 CG ASP A 54 -15.224 -5.954 -6.136 1.00 0.00 C ATOM 812 OD1 ASP A 54 -15.244 -6.265 -4.927 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.491 -6.756 -7.055 1.00 0.00 O ATOM 0 H ASP A 54 -13.518 -4.645 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.791 -4.651 -7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.463 -3.838 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.095 -4.357 -7.555 1.00 0.00 H new ATOM 818 N PHE A 55 -11.987 -2.292 -6.723 1.00 0.00 N ATOM 819 CA PHE A 55 -11.647 -0.875 -6.751 1.00 0.00 C ATOM 820 C PHE A 55 -12.793 -0.052 -7.330 1.00 0.00 C ATOM 821 O PHE A 55 -13.106 1.031 -6.835 1.00 0.00 O ATOM 822 CB PHE A 55 -10.376 -0.650 -7.574 1.00 0.00 C ATOM 823 CG PHE A 55 -9.640 0.608 -7.209 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.992 0.718 -5.990 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.597 1.680 -8.086 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.314 1.874 -5.651 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.920 2.838 -7.753 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.279 2.935 -6.534 1.00 0.00 C ATOM 0 H PHE A 55 -11.265 -2.906 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.471 -0.549 -5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.710 -1.503 -7.440 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.639 -0.614 -8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.017 -0.109 -5.296 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.098 1.610 -9.040 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.813 1.947 -4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.892 3.666 -8.446 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.751 3.840 -6.271 1.00 0.00 H new ATOM 838 N GLU A 56 -13.415 -0.573 -8.383 1.00 0.00 N ATOM 839 CA GLU A 56 -14.526 0.115 -9.032 1.00 0.00 C ATOM 840 C GLU A 56 -15.639 0.413 -8.031 1.00 0.00 C ATOM 841 O GLU A 56 -16.237 1.489 -8.055 1.00 0.00 O ATOM 842 CB GLU A 56 -15.075 -0.729 -10.184 1.00 0.00 C ATOM 843 CG GLU A 56 -14.390 -0.461 -11.513 1.00 0.00 C ATOM 844 CD GLU A 56 -14.850 -1.406 -12.607 1.00 0.00 C ATOM 845 OE1 GLU A 56 -14.317 -2.532 -12.681 1.00 0.00 O ATOM 846 OE2 GLU A 56 -15.743 -1.018 -13.390 1.00 0.00 O ATOM 0 H GLU A 56 -13.169 -1.468 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.153 1.059 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.966 -1.784 -9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.142 -0.535 -10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.587 0.566 -11.819 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.311 -0.554 -11.387 1.00 0.00 H new ATOM 853 N SER A 57 -15.911 -0.546 -7.153 1.00 0.00 N ATOM 854 CA SER A 57 -16.954 -0.389 -6.147 1.00 0.00 C ATOM 855 C SER A 57 -16.547 0.642 -5.099 1.00 0.00 C ATOM 856 O SER A 57 -17.340 1.506 -4.720 1.00 0.00 O ATOM 857 CB SER A 57 -17.248 -1.730 -5.471 1.00 0.00 C ATOM 858 OG SER A 57 -18.261 -1.596 -4.490 1.00 0.00 O ATOM 0 H SER A 57 -15.423 -1.441 -7.118 1.00 0.00 H new ATOM 0 HA SER A 57 -17.856 -0.037 -6.648 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.558 -2.458 -6.221 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.339 -2.115 -5.009 1.00 0.00 H new ATOM 0 HG SER A 57 -18.431 -2.467 -4.074 1.00 0.00 H new ATOM 864 N LEU A 58 -15.306 0.546 -4.634 1.00 0.00 N ATOM 865 CA LEU A 58 -14.791 1.470 -3.630 1.00 0.00 C ATOM 866 C LEU A 58 -15.124 2.913 -3.996 1.00 0.00 C ATOM 867 O LEU A 58 -14.945 3.331 -5.140 1.00 0.00 O ATOM 868 CB LEU A 58 -13.278 1.304 -3.484 1.00 0.00 C ATOM 869 CG LEU A 58 -12.784 -0.111 -3.184 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.265 -0.168 -3.234 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.293 -0.578 -1.828 1.00 0.00 C ATOM 0 H LEU A 58 -14.638 -0.163 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.269 1.237 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.805 1.645 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.936 1.964 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.178 -0.782 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.932 -1.183 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.922 0.123 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.851 0.515 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.931 -1.587 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.930 0.095 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.383 -0.577 -1.828 1.00 0.00 H new ATOM 883 N LYS A 59 -15.605 3.671 -3.016 1.00 0.00 N ATOM 884 CA LYS A 59 -15.959 5.069 -3.234 1.00 0.00 C ATOM 885 C LYS A 59 -14.754 5.976 -3.010 1.00 0.00 C ATOM 886 O LYS A 59 -13.680 5.515 -2.626 1.00 0.00 O ATOM 887 CB LYS A 59 -17.100 5.478 -2.299 1.00 0.00 C ATOM 888 CG LYS A 59 -18.347 4.624 -2.450 1.00 0.00 C ATOM 889 CD LYS A 59 -19.255 5.152 -3.548 1.00 0.00 C ATOM 890 CE LYS A 59 -20.253 6.163 -3.008 1.00 0.00 C ATOM 891 NZ LYS A 59 -21.171 5.557 -2.005 1.00 0.00 N ATOM 0 H LYS A 59 -15.759 3.341 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 59 -16.287 5.179 -4.268 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.752 5.419 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.358 6.520 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.060 3.597 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.891 4.603 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -18.652 5.616 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.790 4.322 -4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -19.716 6.995 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.836 6.573 -3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.071 6.078 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.348 4.563 -2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.736 5.606 -1.062 1.00 0.00 H new ATOM 905 N LYS A 60 -14.941 7.269 -3.252 1.00 0.00 N ATOM 906 CA LYS A 60 -13.869 8.243 -3.076 1.00 0.00 C ATOM 907 C LYS A 60 -13.868 8.799 -1.655 1.00 0.00 C ATOM 908 O LYS A 60 -12.875 8.685 -0.935 1.00 0.00 O ATOM 909 CB LYS A 60 -14.021 9.386 -4.082 1.00 0.00 C ATOM 910 CG LYS A 60 -12.790 10.271 -4.186 1.00 0.00 C ATOM 911 CD LYS A 60 -11.786 9.714 -5.182 1.00 0.00 C ATOM 912 CE LYS A 60 -12.026 10.260 -6.581 1.00 0.00 C ATOM 913 NZ LYS A 60 -13.361 9.863 -7.109 1.00 0.00 N ATOM 0 H LYS A 60 -15.824 7.667 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.919 7.737 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.242 8.968 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.876 9.999 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.087 11.275 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.321 10.360 -3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.775 9.966 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.854 8.626 -5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.950 11.347 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.247 9.896 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.428 10.121 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.483 8.835 -7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.106 10.355 -6.575 1.00 0.00 H new ATOM 927 N CYS A 61 -14.986 9.396 -1.258 1.00 0.00 N ATOM 928 CA CYS A 61 -15.114 9.969 0.078 1.00 0.00 C ATOM 929 C CYS A 61 -14.818 8.922 1.148 1.00 0.00 C ATOM 930 O CYS A 61 -14.125 9.200 2.126 1.00 0.00 O ATOM 931 CB CYS A 61 -16.518 10.538 0.279 1.00 0.00 C ATOM 932 SG CYS A 61 -16.789 11.277 1.906 1.00 0.00 S ATOM 0 H CYS A 61 -15.817 9.496 -1.841 1.00 0.00 H new ATOM 0 HA CYS A 61 -14.387 10.775 0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -16.706 11.291 -0.486 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.246 9.741 0.128 1.00 0.00 H new ATOM 0 HG CYS A 61 -18.005 11.732 1.979 1.00 0.00 H new ATOM 938 N ASN A 62 -15.348 7.720 0.955 1.00 0.00 N ATOM 939 CA ASN A 62 -15.143 6.633 1.905 1.00 0.00 C ATOM 940 C ASN A 62 -13.660 6.448 2.209 1.00 0.00 C ATOM 941 O ASN A 62 -12.837 6.345 1.300 1.00 0.00 O ATOM 942 CB ASN A 62 -15.728 5.330 1.355 1.00 0.00 C ATOM 943 CG ASN A 62 -15.734 4.218 2.386 1.00 0.00 C ATOM 944 OD1 ASN A 62 -15.127 3.166 2.185 1.00 0.00 O ATOM 945 ND2 ASN A 62 -16.423 4.446 3.499 1.00 0.00 N ATOM 0 H ASN A 62 -15.923 7.473 0.149 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.656 6.892 2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.747 5.509 1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.150 5.014 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.463 3.734 4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.911 5.333 3.624 1.00 0.00 H new ATOM 952 N ALA A 63 -13.325 6.407 3.495 1.00 0.00 N ATOM 953 CA ALA A 63 -11.942 6.233 3.920 1.00 0.00 C ATOM 954 C ALA A 63 -11.821 5.119 4.952 1.00 0.00 C ATOM 955 O ALA A 63 -10.968 4.239 4.834 1.00 0.00 O ATOM 956 CB ALA A 63 -11.393 7.537 4.479 1.00 0.00 C ATOM 0 H ALA A 63 -13.994 6.492 4.261 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.353 5.949 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.359 7.392 4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.434 8.308 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.992 7.846 5.336 1.00 0.00 H new ATOM 962 N HIS A 64 -12.679 5.162 5.967 1.00 0.00 N ATOM 963 CA HIS A 64 -12.668 4.155 7.021 1.00 0.00 C ATOM 964 C HIS A 64 -12.793 2.752 6.435 1.00 0.00 C ATOM 965 O HIS A 64 -11.870 1.942 6.536 1.00 0.00 O ATOM 966 CB HIS A 64 -13.805 4.409 8.011 1.00 0.00 C ATOM 967 CG HIS A 64 -13.882 3.394 9.109 1.00 0.00 C ATOM 968 ND1 HIS A 64 -13.014 3.376 10.180 1.00 0.00 N ATOM 969 CD2 HIS A 64 -14.733 2.358 9.299 1.00 0.00 C ATOM 970 CE1 HIS A 64 -13.326 2.371 10.981 1.00 0.00 C ATOM 971 NE2 HIS A 64 -14.366 1.738 10.468 1.00 0.00 N ATOM 0 H HIS A 64 -13.391 5.884 6.081 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.716 4.227 7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.679 5.398 8.450 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.751 4.419 7.470 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -15.549 2.072 8.651 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.817 2.112 11.898 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -14.822 0.921 10.874 1.00 0.00 H new ATOM 980 N TYR A 65 -13.937 2.472 5.822 1.00 0.00 N ATOM 981 CA TYR A 65 -14.183 1.166 5.222 1.00 0.00 C ATOM 982 C TYR A 65 -13.105 0.826 4.197 1.00 0.00 C ATOM 983 O TYR A 65 -12.497 -0.242 4.251 1.00 0.00 O ATOM 984 CB TYR A 65 -15.560 1.138 4.558 1.00 0.00 C ATOM 985 CG TYR A 65 -15.777 -0.061 3.664 1.00 0.00 C ATOM 986 CD1 TYR A 65 -15.215 -0.117 2.394 1.00 0.00 C ATOM 987 CD2 TYR A 65 -16.545 -1.140 4.088 1.00 0.00 C ATOM 988 CE1 TYR A 65 -15.412 -1.211 1.573 1.00 0.00 C ATOM 989 CE2 TYR A 65 -16.745 -2.238 3.275 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.176 -2.268 2.018 1.00 0.00 C ATOM 991 OH TYR A 65 -16.373 -3.360 1.204 1.00 0.00 O ATOM 0 H TYR A 65 -14.709 3.132 5.727 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.154 0.419 6.015 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.327 1.147 5.332 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.689 2.047 3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.614 0.709 2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -16.993 -1.119 5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.970 -1.237 0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.343 -3.068 3.621 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.933 -4.017 1.668 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.876 1.743 3.263 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.871 1.542 2.225 1.00 0.00 C ATOM 1003 C ASN A 66 -10.514 1.209 2.838 1.00 0.00 C ATOM 1004 O ASN A 66 -9.774 0.372 2.318 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.755 2.791 1.350 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.856 2.874 0.311 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.800 2.085 0.327 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.739 3.832 -0.601 1.00 0.00 N ATOM 0 H ASN A 66 -13.372 2.632 3.203 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.186 0.701 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.788 3.678 1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.787 2.792 0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.449 3.935 -1.326 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.939 4.465 -0.576 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.193 1.868 3.945 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.925 1.642 4.630 1.00 0.00 C ATOM 1017 C LEU A 67 -8.898 0.265 5.285 1.00 0.00 C ATOM 1018 O LEU A 67 -8.164 -0.624 4.854 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.692 2.725 5.684 1.00 0.00 C ATOM 1020 CG LEU A 67 -8.225 4.083 5.160 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.493 5.173 6.187 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.747 4.037 4.801 1.00 0.00 C ATOM 0 H LEU A 67 -10.793 2.564 4.388 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.127 1.687 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.620 2.871 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.952 2.358 6.395 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.790 4.316 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.154 6.132 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.562 5.223 6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.955 4.946 7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.432 5.012 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.165 3.781 5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.583 3.285 4.029 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.706 0.094 6.327 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.776 -1.176 7.040 1.00 0.00 C ATOM 1036 C GLN A 68 -9.882 -2.343 6.063 1.00 0.00 C ATOM 1037 O GLN A 68 -9.357 -3.427 6.318 1.00 0.00 O ATOM 1038 CB GLN A 68 -10.970 -1.184 7.995 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.298 -1.458 7.307 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.382 -1.880 8.278 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.227 -2.856 9.013 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.489 -1.147 8.285 1.00 0.00 N ATOM 0 H GLN A 68 -10.321 0.819 6.696 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.859 -1.291 7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.805 -1.940 8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.025 -0.221 8.502 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.620 -0.562 6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.161 -2.239 6.559 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.575 -0.346 7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.254 -1.384 8.917 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.563 -2.113 4.947 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.739 -3.146 3.932 1.00 0.00 C ATOM 1053 C ASN A 69 -9.390 -3.630 3.409 1.00 0.00 C ATOM 1054 O ASN A 69 -9.139 -4.831 3.327 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.587 -2.615 2.774 1.00 0.00 C ATOM 1056 CG ASN A 69 -11.945 -3.698 1.776 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -12.596 -4.685 2.120 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.519 -3.518 0.531 1.00 0.00 N ATOM 0 H ASN A 69 -11.003 -1.221 4.721 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.254 -3.989 4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.501 -2.173 3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.043 -1.820 2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.729 -4.213 -0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.982 -2.684 0.291 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.525 -2.685 3.057 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.200 -3.014 2.544 1.00 0.00 C ATOM 1067 C ALA A 70 -6.322 -3.613 3.637 1.00 0.00 C ATOM 1068 O ALA A 70 -5.592 -4.576 3.402 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.541 -1.776 1.953 1.00 0.00 C ATOM 0 H ALA A 70 -8.718 -1.685 3.117 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.316 -3.760 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.553 -2.036 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.153 -1.392 1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.444 -1.012 2.724 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.397 -3.037 4.832 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.607 -3.514 5.962 1.00 0.00 C ATOM 1077 C PHE A 71 -5.977 -4.950 6.317 1.00 0.00 C ATOM 1078 O PHE A 71 -5.106 -5.799 6.506 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.815 -2.607 7.176 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.326 -1.202 6.966 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.081 -0.965 6.405 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.110 -0.119 7.330 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.628 0.326 6.211 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.661 1.174 7.139 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.419 1.397 6.577 1.00 0.00 C ATOM 0 H PHE A 71 -6.997 -2.239 5.043 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.556 -3.489 5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.877 -2.581 7.422 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.299 -3.038 8.034 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.458 -1.799 6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.083 -0.287 7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.656 0.497 5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.281 2.010 7.429 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.067 2.407 6.424 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.277 -5.216 6.405 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.764 -6.549 6.738 1.00 0.00 C ATOM 1097 C ASN A 72 -7.532 -7.518 5.582 1.00 0.00 C ATOM 1098 O ASN A 72 -7.097 -8.652 5.786 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.253 -6.499 7.085 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.539 -5.609 8.280 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -8.899 -5.730 9.324 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -10.505 -4.711 8.130 1.00 0.00 N ATOM 0 H ASN A 72 -8.011 -4.525 6.250 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.208 -6.906 7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.812 -6.136 6.223 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.609 -7.508 7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.743 -4.085 8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.009 -4.647 7.246 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.825 -7.063 4.370 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.648 -7.889 3.179 1.00 0.00 C ATOM 1111 C LEU A 73 -6.200 -8.351 3.048 1.00 0.00 C ATOM 1112 O LEU A 73 -5.934 -9.512 2.739 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.063 -7.111 1.929 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.547 -7.163 1.569 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.802 -6.449 0.249 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -10.031 -8.604 1.500 1.00 0.00 C ATOM 0 H LEU A 73 -8.186 -6.127 4.184 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.283 -8.769 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.779 -6.067 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.491 -7.490 1.082 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.108 -6.650 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.864 -6.496 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.495 -5.406 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.229 -6.932 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.090 -8.620 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.464 -9.142 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.886 -9.083 2.468 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.268 -7.434 3.287 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.847 -7.748 3.199 1.00 0.00 C ATOM 1130 C ALA A 74 -3.392 -8.570 4.399 1.00 0.00 C ATOM 1131 O ALA A 74 -2.571 -9.477 4.266 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.030 -6.470 3.091 1.00 0.00 C ATOM 0 H ALA A 74 -5.471 -6.468 3.543 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.687 -8.345 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.971 -6.720 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.329 -5.921 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.204 -5.852 3.972 1.00 0.00 H new ATOM 1138 N GLU A 75 -3.930 -8.246 5.571 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.577 -8.956 6.795 1.00 0.00 C ATOM 1140 C GLU A 75 -4.165 -10.363 6.799 1.00 0.00 C ATOM 1141 O GLU A 75 -3.686 -11.248 7.508 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.070 -8.181 8.020 1.00 0.00 C ATOM 1143 CG GLU A 75 -3.885 -8.930 9.329 1.00 0.00 C ATOM 1144 CD GLU A 75 -4.884 -10.058 9.502 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.083 -9.835 9.235 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -4.466 -11.165 9.904 1.00 0.00 O ATOM 0 H GLU A 75 -4.611 -7.497 5.699 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.491 -9.036 6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.539 -7.231 8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.127 -7.948 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.874 -9.335 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.984 -8.232 10.160 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.210 -10.563 6.002 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.866 -11.862 5.910 1.00 0.00 C ATOM 1155 C LYS A 76 -5.363 -12.641 4.699 1.00 0.00 C ATOM 1156 O LYS A 76 -4.860 -13.756 4.834 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.383 -11.685 5.822 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.150 -12.995 5.846 1.00 0.00 C ATOM 1159 CD LYS A 76 -9.650 -12.762 5.925 1.00 0.00 C ATOM 1160 CE LYS A 76 -10.070 -12.310 7.316 1.00 0.00 C ATOM 1161 NZ LYS A 76 -11.296 -11.463 7.276 1.00 0.00 N ATOM 0 H LYS A 76 -5.621 -9.841 5.410 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.624 -12.428 6.810 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.717 -11.063 6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.625 -11.148 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.917 -13.570 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.828 -13.591 6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.942 -12.009 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.176 -13.680 5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.252 -13.183 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.256 -11.750 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.551 -11.175 8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.115 -10.617 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.079 -12.005 6.859 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.501 -12.047 3.519 1.00 0.00 N ATOM 1176 CA GLU A 77 -5.059 -12.685 2.285 1.00 0.00 C ATOM 1177 C GLU A 77 -3.548 -12.900 2.295 1.00 0.00 C ATOM 1178 O GLU A 77 -3.070 -14.034 2.360 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.458 -11.839 1.075 1.00 0.00 C ATOM 1180 CG GLU A 77 -6.951 -11.570 0.985 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.733 -12.777 0.507 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -7.274 -13.915 0.742 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.807 -12.584 -0.101 1.00 0.00 O ATOM 0 H GLU A 77 -5.916 -11.124 3.391 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.546 -13.657 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.928 -10.887 1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.133 -12.345 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.321 -11.266 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.126 -10.736 0.305 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.800 -11.804 2.228 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.343 -11.871 2.227 1.00 0.00 C ATOM 1192 C LEU A 78 -0.825 -12.451 3.539 1.00 0.00 C ATOM 1193 O LEU A 78 -0.022 -13.383 3.543 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.750 -10.478 2.001 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.338 -9.679 0.838 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -0.827 -8.247 0.863 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -1.005 -10.344 -0.489 1.00 0.00 C ATOM 0 H LEU A 78 -3.179 -10.858 2.174 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.033 -12.527 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.877 -9.898 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.322 -10.584 1.837 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.422 -9.658 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.256 -7.693 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.118 -7.773 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.260 -8.247 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.432 -9.761 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.077 -10.397 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.422 -11.351 -0.506 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.290 -11.892 4.652 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.864 -12.368 5.955 1.00 0.00 C ATOM 1211 C GLY A 79 0.071 -11.398 6.649 1.00 0.00 C ATOM 1212 O GLY A 79 0.991 -11.809 7.358 1.00 0.00 O ATOM 0 H GLY A 79 -1.954 -11.118 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.740 -12.535 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.365 -13.331 5.842 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.161 -10.106 6.445 1.00 0.00 N ATOM 1217 CA LEU A 80 0.669 -9.073 7.056 1.00 0.00 C ATOM 1218 C LEU A 80 0.049 -8.575 8.357 1.00 0.00 C ATOM 1219 O LEU A 80 -1.139 -8.255 8.409 1.00 0.00 O ATOM 1220 CB LEU A 80 0.858 -7.904 6.087 1.00 0.00 C ATOM 1221 CG LEU A 80 1.603 -8.222 4.790 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.340 -7.146 3.747 1.00 0.00 C ATOM 1223 CD2 LEU A 80 3.096 -8.358 5.052 1.00 0.00 C ATOM 0 H LEU A 80 -0.917 -9.748 5.861 1.00 0.00 H new ATOM 0 HA LEU A 80 1.642 -9.510 7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.125 -7.508 5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.396 -7.111 6.606 1.00 0.00 H new ATOM 0 HG LEU A 80 1.234 -9.172 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.878 -7.388 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.271 -7.095 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.682 -6.182 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.610 -8.584 4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.480 -7.423 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.268 -9.164 5.765 1.00 0.00 H new ATOM 1235 N THR A 81 0.861 -8.509 9.407 1.00 0.00 N ATOM 1236 CA THR A 81 0.394 -8.050 10.709 1.00 0.00 C ATOM 1237 C THR A 81 -0.032 -6.587 10.654 1.00 0.00 C ATOM 1238 O THR A 81 0.781 -5.702 10.387 1.00 0.00 O ATOM 1239 CB THR A 81 1.481 -8.215 11.787 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.911 -9.580 11.842 1.00 0.00 O ATOM 1241 CG2 THR A 81 0.960 -7.788 13.151 1.00 0.00 C ATOM 0 H THR A 81 1.847 -8.768 9.381 1.00 0.00 H new ATOM 0 HA THR A 81 -0.465 -8.668 10.973 1.00 0.00 H new ATOM 0 HB THR A 81 2.325 -7.578 11.522 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.604 -9.677 12.528 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.746 -7.914 13.896 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.659 -6.741 13.114 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.102 -8.403 13.422 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.313 -6.339 10.908 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.848 -4.983 10.889 1.00 0.00 C ATOM 1251 C LYS A 82 -1.046 -4.069 11.811 1.00 0.00 C ATOM 1252 O LYS A 82 -1.255 -4.054 13.024 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.318 -4.987 11.313 1.00 0.00 C ATOM 1254 CG LYS A 82 -4.285 -5.161 10.154 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.728 -5.175 10.629 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.086 -6.500 11.284 1.00 0.00 C ATOM 1257 NZ LYS A 82 -7.525 -6.562 11.663 1.00 0.00 N ATOM 0 H LYS A 82 -2.000 -7.060 11.129 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.770 -4.603 9.870 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.478 -5.790 12.032 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.542 -4.051 11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.145 -4.352 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.064 -6.092 9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.887 -4.363 11.338 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.392 -4.994 9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.855 -7.317 10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.470 -6.644 12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.772 -7.536 11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.700 -5.926 12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.110 -6.267 10.855 1.00 0.00 H new ATOM 1271 N LEU A 83 -0.128 -3.306 11.227 1.00 0.00 N ATOM 1272 CA LEU A 83 0.705 -2.388 11.995 1.00 0.00 C ATOM 1273 C LEU A 83 -0.042 -1.091 12.289 1.00 0.00 C ATOM 1274 O LEU A 83 0.079 -0.525 13.377 1.00 0.00 O ATOM 1275 CB LEU A 83 1.998 -2.083 11.235 1.00 0.00 C ATOM 1276 CG LEU A 83 2.774 -3.296 10.719 1.00 0.00 C ATOM 1277 CD1 LEU A 83 3.975 -2.850 9.900 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.215 -4.179 11.878 1.00 0.00 C ATOM 0 H LEU A 83 0.058 -3.305 10.224 1.00 0.00 H new ATOM 0 HA LEU A 83 0.952 -2.867 12.942 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.755 -1.444 10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.654 -1.508 11.889 1.00 0.00 H new ATOM 0 HG LEU A 83 2.116 -3.879 10.075 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.516 -3.726 9.541 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.636 -2.259 9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.635 -2.246 10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.766 -5.037 11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.857 -3.607 12.548 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.338 -4.526 12.425 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.816 -0.627 11.314 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.586 0.603 11.469 1.00 0.00 C ATOM 1292 C LEU A 84 -3.076 0.300 11.596 1.00 0.00 C ATOM 1293 O LEU A 84 -3.481 -0.862 11.649 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.343 1.534 10.280 1.00 0.00 C ATOM 1295 CG LEU A 84 0.105 1.968 10.052 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.247 2.671 8.711 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.574 2.872 11.183 1.00 0.00 C ATOM 0 H LEU A 84 -0.927 -1.083 10.408 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.255 1.097 12.383 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.699 1.038 9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.952 2.428 10.414 1.00 0.00 H new ATOM 0 HG LEU A 84 0.734 1.078 10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.284 2.973 8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.048 1.992 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.393 3.553 8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.607 3.172 11.005 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.059 3.758 11.226 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.510 2.334 12.129 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.886 1.352 11.643 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.332 1.198 11.760 1.00 0.00 C ATOM 1311 C ASP A 85 -6.058 2.170 10.835 1.00 0.00 C ATOM 1312 O ASP A 85 -5.534 3.221 10.465 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.775 1.425 13.206 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.475 0.235 14.097 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -4.284 -0.114 14.240 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -6.431 -0.347 14.650 1.00 0.00 O ATOM 0 H ASP A 85 -3.567 2.320 11.602 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.590 0.181 11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.273 2.308 13.602 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.845 1.630 13.227 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.292 1.812 10.452 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.117 2.639 9.564 1.00 0.00 C ATOM 1323 C PRO A 86 -8.592 3.919 10.242 1.00 0.00 C ATOM 1324 O PRO A 86 -9.297 4.726 9.637 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.306 1.732 9.239 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.392 0.792 10.392 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.979 0.573 10.855 1.00 0.00 C ATOM 0 HA PRO A 86 -7.565 2.971 8.685 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.225 2.308 9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -9.151 1.196 8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.004 1.210 11.191 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.855 -0.149 10.095 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.929 0.418 11.933 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.534 -0.304 10.386 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.201 4.099 11.499 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.588 5.283 12.257 1.00 0.00 C ATOM 1337 C GLU A 87 -7.364 6.107 12.644 1.00 0.00 C ATOM 1338 O GLU A 87 -7.412 7.337 12.668 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.363 4.879 13.514 1.00 0.00 C ATOM 1340 CG GLU A 87 -10.792 4.445 13.235 1.00 0.00 C ATOM 1341 CD GLU A 87 -11.761 5.611 13.213 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -11.648 6.495 14.087 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -12.634 5.639 12.320 1.00 0.00 O ATOM 0 H GLU A 87 -7.617 3.440 12.014 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.230 5.895 11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.835 4.064 14.010 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.376 5.719 14.208 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.830 3.927 12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.106 3.730 13.996 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.267 5.420 12.945 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.028 6.087 13.331 1.00 0.00 C ATOM 1352 C ASP A 88 -4.384 6.773 12.129 1.00 0.00 C ATOM 1353 O ASP A 88 -3.837 7.869 12.246 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.053 5.083 13.946 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.252 4.922 15.439 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -3.857 5.835 16.192 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -4.802 3.880 15.856 1.00 0.00 O ATOM 0 H ASP A 88 -6.210 4.402 12.929 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.269 6.847 14.074 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.178 4.116 13.460 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.031 5.408 13.752 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.452 6.117 10.975 1.00 0.00 N ATOM 1363 CA VAL A 89 -3.875 6.663 9.752 1.00 0.00 C ATOM 1364 C VAL A 89 -4.744 7.780 9.185 1.00 0.00 C ATOM 1365 O VAL A 89 -4.345 8.943 9.168 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.697 5.571 8.680 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.158 6.171 7.391 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.780 4.470 9.189 1.00 0.00 C ATOM 0 H VAL A 89 -4.900 5.208 10.861 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.897 7.066 10.016 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.672 5.132 8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.039 5.385 6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.856 6.921 7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.192 6.638 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.665 3.707 8.419 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.804 4.892 9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.212 4.021 10.083 1.00 0.00 H new ATOM 1378 N ASN A 90 -5.936 7.417 8.722 1.00 0.00 N ATOM 1379 CA ASN A 90 -6.864 8.389 8.154 1.00 0.00 C ATOM 1380 C ASN A 90 -6.882 9.671 8.980 1.00 0.00 C ATOM 1381 O ASN A 90 -7.380 9.688 10.106 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.272 7.797 8.077 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.100 8.113 9.308 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -8.766 7.697 10.417 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.185 8.854 9.117 1.00 0.00 N ATOM 0 H ASN A 90 -6.282 6.458 8.729 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.525 8.632 7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.778 8.184 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.203 6.716 7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.780 9.100 9.908 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.423 9.177 8.179 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.337 10.742 8.413 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.292 12.030 9.097 1.00 0.00 C ATOM 1394 C VAL A 91 -5.704 13.110 8.197 1.00 0.00 C ATOM 1395 O VAL A 91 -5.098 12.812 7.166 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.464 11.949 10.392 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.987 11.773 10.072 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.689 13.187 11.247 1.00 0.00 C ATOM 0 H VAL A 91 -5.920 10.744 7.482 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.320 12.291 9.348 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.794 11.079 10.959 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.418 11.718 11.000 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.845 10.854 9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.639 12.621 9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.096 13.112 12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.388 14.074 10.689 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.745 13.263 11.507 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.884 14.365 8.592 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.368 15.491 7.822 1.00 0.00 C ATOM 1410 C ASP A 92 -3.886 15.307 7.515 1.00 0.00 C ATOM 1411 O ASP A 92 -3.473 15.342 6.357 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.587 16.800 8.583 1.00 0.00 C ATOM 1413 CG ASP A 92 -7.010 17.308 8.466 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.929 16.619 8.958 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.206 18.394 7.882 1.00 0.00 O ATOM 0 H ASP A 92 -6.384 14.629 9.441 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.912 15.534 6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.343 16.650 9.635 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.902 17.557 8.202 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.090 15.113 8.563 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.653 14.924 8.405 1.00 0.00 C ATOM 1422 C GLN A 93 -1.157 13.765 9.264 1.00 0.00 C ATOM 1423 O GLN A 93 -0.666 13.952 10.377 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.906 16.207 8.777 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.346 16.804 10.104 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.368 17.833 10.634 1.00 0.00 C ATOM 1427 OE1 GLN A 93 0.456 17.535 11.499 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -0.454 19.053 10.117 1.00 0.00 N ATOM 0 H GLN A 93 -3.416 15.083 9.529 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.456 14.686 7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.163 15.996 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.054 16.945 7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.325 17.268 9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.460 16.006 10.837 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.152 19.256 9.402 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.178 19.787 10.435 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.290 12.539 8.737 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.861 11.326 9.439 1.00 0.00 C ATOM 1439 C PRO A 94 0.656 11.224 9.546 1.00 0.00 C ATOM 1440 O PRO A 94 1.383 12.080 9.042 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.413 10.197 8.565 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.529 10.792 7.205 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.867 12.243 7.415 1.00 0.00 C ATOM 0 HA PRO A 94 -1.220 11.302 10.468 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.746 9.335 8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.380 9.851 8.929 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.596 10.685 6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.304 10.291 6.625 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.435 12.873 6.638 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.944 12.411 7.400 1.00 0.00 H new ATOM 1451 N ASP A 95 1.129 10.170 10.203 1.00 0.00 N ATOM 1452 CA ASP A 95 2.561 9.954 10.375 1.00 0.00 C ATOM 1453 C ASP A 95 3.163 9.296 9.138 1.00 0.00 C ATOM 1454 O ASP A 95 3.141 8.074 9.002 1.00 0.00 O ATOM 1455 CB ASP A 95 2.824 9.090 11.609 1.00 0.00 C ATOM 1456 CG ASP A 95 3.003 9.915 12.867 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.969 10.705 12.927 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.176 9.773 13.792 1.00 0.00 O ATOM 0 H ASP A 95 0.541 9.452 10.625 1.00 0.00 H new ATOM 0 HA ASP A 95 3.036 10.925 10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.994 8.398 11.747 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.717 8.488 11.443 1.00 0.00 H new ATOM 1463 N GLU A 96 3.700 10.116 8.239 1.00 0.00 N ATOM 1464 CA GLU A 96 4.306 9.611 7.012 1.00 0.00 C ATOM 1465 C GLU A 96 5.214 8.419 7.304 1.00 0.00 C ATOM 1466 O GLU A 96 5.247 7.450 6.546 1.00 0.00 O ATOM 1467 CB GLU A 96 5.105 10.717 6.320 1.00 0.00 C ATOM 1468 CG GLU A 96 6.070 11.441 7.244 1.00 0.00 C ATOM 1469 CD GLU A 96 5.388 12.506 8.080 1.00 0.00 C ATOM 1470 OE1 GLU A 96 4.439 13.141 7.574 1.00 0.00 O ATOM 1471 OE2 GLU A 96 5.804 12.705 9.240 1.00 0.00 O ATOM 0 H GLU A 96 3.728 11.131 8.337 1.00 0.00 H new ATOM 0 HA GLU A 96 3.505 9.282 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.665 10.284 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.412 11.442 5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.548 10.717 7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.860 11.901 6.650 1.00 0.00 H new ATOM 1478 N LYS A 97 5.949 8.499 8.407 1.00 0.00 N ATOM 1479 CA LYS A 97 6.856 7.429 8.802 1.00 0.00 C ATOM 1480 C LYS A 97 6.081 6.175 9.195 1.00 0.00 C ATOM 1481 O LYS A 97 6.387 5.075 8.734 1.00 0.00 O ATOM 1482 CB LYS A 97 7.736 7.883 9.969 1.00 0.00 C ATOM 1483 CG LYS A 97 9.070 8.465 9.533 1.00 0.00 C ATOM 1484 CD LYS A 97 8.889 9.774 8.783 1.00 0.00 C ATOM 1485 CE LYS A 97 8.731 9.542 7.288 1.00 0.00 C ATOM 1486 NZ LYS A 97 9.161 10.726 6.494 1.00 0.00 N ATOM 0 H LYS A 97 5.934 9.295 9.044 1.00 0.00 H new ATOM 0 HA LYS A 97 7.490 7.191 7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.196 8.630 10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.917 7.034 10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.699 8.630 10.408 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.590 7.749 8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.012 10.296 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.748 10.420 8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.319 8.673 6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.689 9.314 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.467 10.910 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.225 11.557 7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.092 10.540 6.069 1.00 0.00 H new ATOM 1500 N SER A 98 5.076 6.349 10.046 1.00 0.00 N ATOM 1501 CA SER A 98 4.258 5.230 10.503 1.00 0.00 C ATOM 1502 C SER A 98 3.535 4.573 9.331 1.00 0.00 C ATOM 1503 O SER A 98 2.993 3.474 9.458 1.00 0.00 O ATOM 1504 CB SER A 98 3.242 5.704 11.543 1.00 0.00 C ATOM 1505 OG SER A 98 2.937 4.673 12.465 1.00 0.00 O ATOM 0 H SER A 98 4.808 7.254 10.434 1.00 0.00 H new ATOM 0 HA SER A 98 4.917 4.493 10.961 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.639 6.567 12.077 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.330 6.030 11.043 1.00 0.00 H new ATOM 0 HG SER A 98 2.287 5.002 13.120 1.00 0.00 H new ATOM 1511 N ILE A 99 3.530 5.254 8.190 1.00 0.00 N ATOM 1512 CA ILE A 99 2.875 4.737 6.995 1.00 0.00 C ATOM 1513 C ILE A 99 3.878 4.065 6.063 1.00 0.00 C ATOM 1514 O ILE A 99 3.614 2.994 5.517 1.00 0.00 O ATOM 1515 CB ILE A 99 2.144 5.854 6.225 1.00 0.00 C ATOM 1516 CG1 ILE A 99 0.967 6.382 7.046 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.667 5.342 4.874 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.347 7.638 6.474 1.00 0.00 C ATOM 0 H ILE A 99 3.972 6.165 8.068 1.00 0.00 H new ATOM 0 HA ILE A 99 2.145 4.000 7.330 1.00 0.00 H new ATOM 0 HB ILE A 99 2.841 6.674 6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.203 5.607 7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.305 6.584 8.063 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.153 6.143 4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.524 5.009 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.982 4.507 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.481 7.956 7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.097 8.428 6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.022 7.436 5.468 1.00 0.00 H new ATOM 1530 N ILE A 100 5.032 4.702 5.889 1.00 0.00 N ATOM 1531 CA ILE A 100 6.076 4.165 5.027 1.00 0.00 C ATOM 1532 C ILE A 100 6.563 2.810 5.530 1.00 0.00 C ATOM 1533 O ILE A 100 7.041 1.982 4.755 1.00 0.00 O ATOM 1534 CB ILE A 100 7.277 5.126 4.931 1.00 0.00 C ATOM 1535 CG1 ILE A 100 6.856 6.438 4.266 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.415 4.476 4.158 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.685 7.627 4.698 1.00 0.00 C ATOM 0 H ILE A 100 5.266 5.590 6.334 1.00 0.00 H new ATOM 0 HA ILE A 100 5.636 4.045 4.037 1.00 0.00 H new ATOM 0 HB ILE A 100 7.628 5.347 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.930 6.328 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.808 6.633 4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.256 5.167 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.729 3.566 4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.077 4.229 3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.331 8.522 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.592 7.763 5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.731 7.453 4.443 1.00 0.00 H new ATOM 1549 N THR A 101 6.437 2.591 6.835 1.00 0.00 N ATOM 1550 CA THR A 101 6.863 1.337 7.443 1.00 0.00 C ATOM 1551 C THR A 101 5.964 0.183 7.014 1.00 0.00 C ATOM 1552 O THR A 101 6.443 -0.905 6.696 1.00 0.00 O ATOM 1553 CB THR A 101 6.862 1.428 8.981 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.587 2.589 9.403 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.482 0.184 9.598 1.00 0.00 C ATOM 0 H THR A 101 6.043 3.266 7.491 1.00 0.00 H new ATOM 0 HA THR A 101 7.880 1.150 7.098 1.00 0.00 H new ATOM 0 HB THR A 101 5.828 1.503 9.318 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.079 3.394 9.172 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.470 0.272 10.684 1.00 0.00 H new ATOM 0 HG22 THR A 101 6.910 -0.694 9.299 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.511 0.081 9.254 1.00 0.00 H new ATOM 1563 N TYR A 102 4.658 0.429 7.005 1.00 0.00 N ATOM 1564 CA TYR A 102 3.691 -0.590 6.615 1.00 0.00 C ATOM 1565 C TYR A 102 3.795 -0.899 5.126 1.00 0.00 C ATOM 1566 O TYR A 102 4.173 -2.003 4.733 1.00 0.00 O ATOM 1567 CB TYR A 102 2.272 -0.132 6.955 1.00 0.00 C ATOM 1568 CG TYR A 102 1.208 -1.149 6.608 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.854 -1.391 5.287 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.557 -1.868 7.603 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.117 -2.319 4.966 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.415 -2.800 7.291 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.748 -3.021 5.972 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.716 -3.948 5.656 1.00 0.00 O ATOM 0 H TYR A 102 4.245 1.325 7.263 1.00 0.00 H new ATOM 0 HA TYR A 102 3.915 -1.500 7.172 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.217 0.090 8.021 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.062 0.797 6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.347 -0.844 4.497 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.815 -1.696 8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.381 -2.494 3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.911 -3.352 8.076 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.060 -4.355 6.478 1.00 0.00 H new ATOM 1584 N VAL A 103 3.458 0.086 4.299 1.00 0.00 N ATOM 1585 CA VAL A 103 3.515 -0.077 2.851 1.00 0.00 C ATOM 1586 C VAL A 103 4.804 -0.770 2.426 1.00 0.00 C ATOM 1587 O VAL A 103 4.850 -1.445 1.398 1.00 0.00 O ATOM 1588 CB VAL A 103 3.412 1.279 2.129 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.570 2.183 2.523 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.372 1.077 0.621 1.00 0.00 C ATOM 0 H VAL A 103 3.143 1.006 4.607 1.00 0.00 H new ATOM 0 HA VAL A 103 2.663 -0.696 2.569 1.00 0.00 H new ATOM 0 HB VAL A 103 2.484 1.764 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.480 3.137 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.549 2.353 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.512 1.708 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.299 2.045 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.282 0.572 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.506 0.469 0.358 1.00 0.00 H new ATOM 1600 N ALA A 104 5.852 -0.600 3.227 1.00 0.00 N ATOM 1601 CA ALA A 104 7.143 -1.211 2.935 1.00 0.00 C ATOM 1602 C ALA A 104 7.008 -2.720 2.753 1.00 0.00 C ATOM 1603 O ALA A 104 7.636 -3.309 1.873 1.00 0.00 O ATOM 1604 CB ALA A 104 8.137 -0.899 4.044 1.00 0.00 C ATOM 0 H ALA A 104 5.832 -0.045 4.082 1.00 0.00 H new ATOM 0 HA ALA A 104 7.513 -0.790 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.097 -1.361 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.264 0.180 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.763 -1.292 4.989 1.00 0.00 H new ATOM 1610 N THR A 105 6.184 -3.341 3.592 1.00 0.00 N ATOM 1611 CA THR A 105 5.968 -4.780 3.525 1.00 0.00 C ATOM 1612 C THR A 105 5.450 -5.195 2.152 1.00 0.00 C ATOM 1613 O THR A 105 5.891 -6.197 1.589 1.00 0.00 O ATOM 1614 CB THR A 105 4.970 -5.249 4.601 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.688 -4.651 4.374 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.465 -4.887 5.993 1.00 0.00 C ATOM 0 H THR A 105 5.656 -2.869 4.326 1.00 0.00 H new ATOM 0 HA THR A 105 6.933 -5.253 3.704 1.00 0.00 H new ATOM 0 HB THR A 105 4.881 -6.333 4.535 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.733 -3.693 4.576 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.744 -5.228 6.736 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.427 -5.367 6.174 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.580 -3.806 6.069 1.00 0.00 H new ATOM 1624 N TYR A 106 4.513 -4.420 1.619 1.00 0.00 N ATOM 1625 CA TYR A 106 3.934 -4.707 0.313 1.00 0.00 C ATOM 1626 C TYR A 106 5.025 -4.931 -0.730 1.00 0.00 C ATOM 1627 O TYR A 106 4.952 -5.863 -1.531 1.00 0.00 O ATOM 1628 CB TYR A 106 3.020 -3.563 -0.128 1.00 0.00 C ATOM 1629 CG TYR A 106 1.631 -3.635 0.466 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.432 -4.075 1.768 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.517 -3.264 -0.278 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.164 -4.144 2.314 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -0.754 -3.329 0.260 1.00 0.00 C ATOM 1634 CZ TYR A 106 -0.925 -3.769 1.556 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.189 -3.835 2.094 1.00 0.00 O ATOM 0 H TYR A 106 4.138 -3.587 2.072 1.00 0.00 H new ATOM 0 HA TYR A 106 3.345 -5.620 0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.478 -2.614 0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.942 -3.570 -1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.283 -4.369 2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.647 -2.919 -1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.027 -4.490 3.328 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.609 -3.037 -0.331 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.844 -3.535 1.429 1.00 0.00 H new ATOM 1645 N TYR A 107 6.037 -4.071 -0.710 1.00 0.00 N ATOM 1646 CA TYR A 107 7.144 -4.171 -1.654 1.00 0.00 C ATOM 1647 C TYR A 107 7.964 -5.433 -1.400 1.00 0.00 C ATOM 1648 O TYR A 107 8.035 -6.324 -2.247 1.00 0.00 O ATOM 1649 CB TYR A 107 8.042 -2.938 -1.553 1.00 0.00 C ATOM 1650 CG TYR A 107 9.432 -3.153 -2.108 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.682 -3.047 -3.470 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.495 -3.462 -1.268 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.951 -3.244 -3.980 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.767 -3.659 -1.770 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.990 -3.550 -3.127 1.00 0.00 C ATOM 1656 OH TYR A 107 13.255 -3.745 -3.631 1.00 0.00 O ATOM 0 H TYR A 107 6.114 -3.297 -0.050 1.00 0.00 H new ATOM 0 HA TYR A 107 6.726 -4.226 -2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.571 -2.112 -2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 107 8.120 -2.640 -0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.871 -2.807 -4.142 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.324 -3.550 -0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 107 11.128 -3.159 -5.042 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.583 -3.897 -1.103 1.00 0.00 H new ATOM 0 HH TYR A 107 13.871 -3.951 -2.897 1.00 0.00 H new ATOM 1666 N HIS A 108 8.581 -5.503 -0.225 1.00 0.00 N ATOM 1667 CA HIS A 108 9.396 -6.655 0.144 1.00 0.00 C ATOM 1668 C HIS A 108 8.625 -7.955 -0.066 1.00 0.00 C ATOM 1669 O HIS A 108 9.046 -8.821 -0.833 1.00 0.00 O ATOM 1670 CB HIS A 108 9.843 -6.544 1.602 1.00 0.00 C ATOM 1671 CG HIS A 108 10.833 -5.446 1.843 1.00 0.00 C ATOM 1672 ND1 HIS A 108 12.163 -5.542 1.490 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.681 -4.225 2.404 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.786 -4.427 1.824 1.00 0.00 C ATOM 1675 NE2 HIS A 108 11.908 -3.610 2.381 1.00 0.00 N ATOM 0 H HIS A 108 8.532 -4.775 0.488 1.00 0.00 H new ATOM 0 HA HIS A 108 10.277 -6.667 -0.498 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.968 -6.377 2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 108 10.282 -7.492 1.912 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.764 -3.811 2.797 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.834 -4.218 1.669 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.110 -2.675 2.736 1.00 0.00 H new ATOM 1684 N TYR A 109 7.495 -8.085 0.619 1.00 0.00 N ATOM 1685 CA TYR A 109 6.667 -9.280 0.511 1.00 0.00 C ATOM 1686 C TYR A 109 6.563 -9.739 -0.941 1.00 0.00 C ATOM 1687 O TYR A 109 7.099 -10.783 -1.314 1.00 0.00 O ATOM 1688 CB TYR A 109 5.270 -9.011 1.074 1.00 0.00 C ATOM 1689 CG TYR A 109 4.279 -10.115 0.784 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.537 -10.118 -0.392 1.00 0.00 C ATOM 1691 CD2 TYR A 109 4.081 -11.155 1.684 1.00 0.00 C ATOM 1692 CE1 TYR A 109 2.629 -11.123 -0.661 1.00 0.00 C ATOM 1693 CE2 TYR A 109 3.177 -12.165 1.422 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.452 -12.145 0.248 1.00 0.00 C ATOM 1695 OH TYR A 109 1.549 -13.148 -0.015 1.00 0.00 O ATOM 0 H TYR A 109 7.131 -7.376 1.256 1.00 0.00 H new ATOM 0 HA TYR A 109 7.138 -10.073 1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.342 -8.873 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.893 -8.077 0.658 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.673 -9.320 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.644 -11.174 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.060 -11.109 -1.579 1.00 0.00 H new ATOM 0 HE2 TYR A 109 3.038 -12.967 2.132 1.00 0.00 H new ATOM 0 HH TYR A 109 1.547 -13.789 0.726 1.00 0.00 H new ATOM 1705 N PHE A 110 5.869 -8.951 -1.756 1.00 0.00 N ATOM 1706 CA PHE A 110 5.693 -9.276 -3.166 1.00 0.00 C ATOM 1707 C PHE A 110 7.037 -9.553 -3.832 1.00 0.00 C ATOM 1708 O PHE A 110 7.170 -10.487 -4.623 1.00 0.00 O ATOM 1709 CB PHE A 110 4.978 -8.133 -3.890 1.00 0.00 C ATOM 1710 CG PHE A 110 3.482 -8.264 -3.888 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.861 -9.271 -4.608 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.697 -7.381 -3.165 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.485 -9.394 -4.609 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.319 -7.498 -3.162 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.712 -8.507 -3.883 1.00 0.00 C ATOM 0 H PHE A 110 5.420 -8.083 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 110 5.082 -10.176 -3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.252 -7.188 -3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.329 -8.091 -4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.460 -9.968 -5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.167 -6.592 -2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.013 -10.183 -5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.718 -6.801 -2.596 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.364 -8.603 -3.880 1.00 0.00 H new ATOM 1725 N SER A 111 8.031 -8.733 -3.507 1.00 0.00 N ATOM 1726 CA SER A 111 9.365 -8.886 -4.077 1.00 0.00 C ATOM 1727 C SER A 111 9.881 -10.308 -3.879 1.00 0.00 C ATOM 1728 O SER A 111 10.408 -10.925 -4.805 1.00 0.00 O ATOM 1729 CB SER A 111 10.333 -7.888 -3.439 1.00 0.00 C ATOM 1730 OG SER A 111 11.497 -7.729 -4.230 1.00 0.00 O ATOM 0 H SER A 111 7.938 -7.956 -2.852 1.00 0.00 H new ATOM 0 HA SER A 111 9.301 -8.687 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.838 -6.924 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.611 -8.232 -2.443 1.00 0.00 H new ATOM 0 HG SER A 111 12.098 -7.085 -3.801 1.00 0.00 H new ATOM 1736 N LYS A 112 9.726 -10.823 -2.664 1.00 0.00 N ATOM 1737 CA LYS A 112 10.173 -12.174 -2.342 1.00 0.00 C ATOM 1738 C LYS A 112 9.685 -13.172 -3.386 1.00 0.00 C ATOM 1739 O LYS A 112 10.432 -14.053 -3.813 1.00 0.00 O ATOM 1740 CB LYS A 112 9.670 -12.582 -0.955 1.00 0.00 C ATOM 1741 CG LYS A 112 10.359 -11.848 0.182 1.00 0.00 C ATOM 1742 CD LYS A 112 11.810 -12.279 0.327 1.00 0.00 C ATOM 1743 CE LYS A 112 12.334 -12.005 1.727 1.00 0.00 C ATOM 1744 NZ LYS A 112 13.790 -12.301 1.841 1.00 0.00 N ATOM 0 H LYS A 112 9.294 -10.325 -1.885 1.00 0.00 H new ATOM 0 HA LYS A 112 11.263 -12.179 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.597 -12.398 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.816 -13.654 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.314 -10.774 0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.827 -12.038 1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.899 -13.343 0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.423 -11.749 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.154 -10.961 1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.783 -12.610 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.110 -12.102 2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.959 -13.303 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.319 -11.705 1.172 1.00 0.00 H new ATOM 1758 N MET A 113 8.429 -13.028 -3.795 1.00 0.00 N ATOM 1759 CA MET A 113 7.844 -13.916 -4.792 1.00 0.00 C ATOM 1760 C MET A 113 8.639 -13.874 -6.093 1.00 0.00 C ATOM 1761 O MET A 113 9.398 -12.937 -6.337 1.00 0.00 O ATOM 1762 CB MET A 113 6.388 -13.530 -5.058 1.00 0.00 C ATOM 1763 CG MET A 113 5.426 -13.999 -3.978 1.00 0.00 C ATOM 1764 SD MET A 113 4.894 -15.705 -4.216 1.00 0.00 S ATOM 1765 CE MET A 113 5.345 -16.423 -2.638 1.00 0.00 C ATOM 0 H MET A 113 7.797 -12.305 -3.451 1.00 0.00 H new ATOM 0 HA MET A 113 7.878 -14.933 -4.400 1.00 0.00 H new ATOM 0 HB2 MET A 113 6.319 -12.446 -5.148 1.00 0.00 H new ATOM 0 HB3 MET A 113 6.079 -13.950 -6.015 1.00 0.00 H new ATOM 0 HG2 MET A 113 5.905 -13.904 -3.004 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.552 -13.348 -3.968 1.00 0.00 H new ATOM 0 HE1 MET A 113 4.796 -17.353 -2.491 1.00 0.00 H new ATOM 0 HE2 MET A 113 6.415 -16.628 -2.624 1.00 0.00 H new ATOM 0 HE3 MET A 113 5.099 -15.726 -1.837 1.00 0.00 H new ATOM 1775 N LYS A 114 8.461 -14.895 -6.923 1.00 0.00 N ATOM 1776 CA LYS A 114 9.161 -14.976 -8.200 1.00 0.00 C ATOM 1777 C LYS A 114 10.672 -15.020 -7.989 1.00 0.00 C ATOM 1778 O LYS A 114 11.429 -14.382 -8.720 1.00 0.00 O ATOM 1779 CB LYS A 114 8.794 -13.779 -9.082 1.00 0.00 C ATOM 1780 CG LYS A 114 7.339 -13.770 -9.517 1.00 0.00 C ATOM 1781 CD LYS A 114 7.034 -12.582 -10.415 1.00 0.00 C ATOM 1782 CE LYS A 114 5.550 -12.492 -10.735 1.00 0.00 C ATOM 1783 NZ LYS A 114 4.791 -11.796 -9.657 1.00 0.00 N ATOM 0 H LYS A 114 7.837 -15.680 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 114 8.853 -15.895 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 114 9.008 -12.859 -8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.430 -13.782 -9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.110 -14.695 -10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.695 -13.738 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.358 -11.663 -9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 114 7.602 -12.669 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.413 -11.961 -11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.147 -13.495 -10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 3.784 -11.755 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.901 -12.317 -8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.159 -10.830 -9.542 1.00 0.00 H new ATOM 1797 N ALA A 115 11.102 -15.781 -6.989 1.00 0.00 N ATOM 1798 CA ALA A 115 12.522 -15.912 -6.686 1.00 0.00 C ATOM 1799 C ALA A 115 12.927 -17.379 -6.578 1.00 0.00 C ATOM 1800 O ALA A 115 12.083 -18.274 -6.649 1.00 0.00 O ATOM 1801 CB ALA A 115 12.858 -15.174 -5.398 1.00 0.00 C ATOM 0 H ALA A 115 10.488 -16.316 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 115 13.085 -15.465 -7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 115 13.922 -15.281 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 115 12.614 -14.117 -5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 115 12.279 -15.595 -4.576 1.00 0.00 H new ATOM 1807 N LEU A 116 14.223 -17.619 -6.410 1.00 0.00 N ATOM 1808 CA LEU A 116 14.741 -18.978 -6.294 1.00 0.00 C ATOM 1809 C LEU A 116 13.901 -19.798 -5.319 1.00 0.00 C ATOM 1810 O LEU A 116 13.476 -20.910 -5.634 1.00 0.00 O ATOM 1811 CB LEU A 116 16.198 -18.952 -5.832 1.00 0.00 C ATOM 1812 CG LEU A 116 17.247 -18.772 -6.930 1.00 0.00 C ATOM 1813 CD1 LEU A 116 17.312 -20.008 -7.813 1.00 0.00 C ATOM 1814 CD2 LEU A 116 16.941 -17.535 -7.762 1.00 0.00 C ATOM 0 H LEU A 116 14.934 -16.890 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 116 14.687 -19.447 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.315 -18.144 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 116 16.408 -19.883 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 116 18.220 -18.636 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.064 -19.862 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 116 17.579 -20.874 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 116 16.340 -20.175 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.698 -17.422 -8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.960 -17.641 -8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.946 -16.654 -7.120 1.00 0.00 H new ATOM 1826 N ALA A 117 13.666 -19.242 -4.136 1.00 0.00 N ATOM 1827 CA ALA A 117 12.874 -19.921 -3.117 1.00 0.00 C ATOM 1828 C ALA A 117 11.524 -20.361 -3.673 1.00 0.00 C ATOM 1829 O ALA A 117 10.950 -19.695 -4.535 1.00 0.00 O ATOM 1830 CB ALA A 117 12.680 -19.015 -1.909 1.00 0.00 C ATOM 0 H ALA A 117 14.012 -18.323 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 117 13.417 -20.813 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.087 -19.534 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 117 13.652 -18.755 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.162 -18.106 -2.215 1.00 0.00 H new ATOM 1836 N VAL A 118 11.023 -21.487 -3.176 1.00 0.00 N ATOM 1837 CA VAL A 118 9.740 -22.016 -3.623 1.00 0.00 C ATOM 1838 C VAL A 118 8.665 -21.824 -2.560 1.00 0.00 C ATOM 1839 O VAL A 118 8.942 -21.904 -1.363 1.00 0.00 O ATOM 1840 CB VAL A 118 9.840 -23.512 -3.972 1.00 0.00 C ATOM 1841 CG1 VAL A 118 8.484 -24.054 -4.397 1.00 0.00 C ATOM 1842 CG2 VAL A 118 10.878 -23.738 -5.061 1.00 0.00 C ATOM 0 H VAL A 118 11.486 -22.051 -2.463 1.00 0.00 H new ATOM 0 HA VAL A 118 9.464 -21.460 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 118 10.158 -24.053 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 118 8.575 -25.113 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 118 7.770 -23.928 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 118 8.133 -23.510 -5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 118 10.935 -24.801 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 118 10.593 -23.185 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.851 -23.390 -4.714 1.00 0.00 H new ATOM 1852 N GLU A 119 7.438 -21.572 -3.005 1.00 0.00 N ATOM 1853 CA GLU A 119 6.321 -21.367 -2.090 1.00 0.00 C ATOM 1854 C GLU A 119 5.125 -22.224 -2.493 1.00 0.00 C ATOM 1855 O GLU A 119 5.126 -22.853 -3.550 1.00 0.00 O ATOM 1856 CB GLU A 119 5.920 -19.892 -2.060 1.00 0.00 C ATOM 1857 CG GLU A 119 6.910 -19.005 -1.325 1.00 0.00 C ATOM 1858 CD GLU A 119 7.217 -19.508 0.072 1.00 0.00 C ATOM 1859 OE1 GLU A 119 6.345 -19.373 0.955 1.00 0.00 O ATOM 1860 OE2 GLU A 119 8.329 -20.035 0.282 1.00 0.00 O ATOM 0 H GLU A 119 7.192 -21.505 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 119 6.642 -21.667 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.814 -19.533 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.942 -19.800 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 119 7.835 -18.947 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.509 -17.993 -1.263 1.00 0.00 H new ATOM 1867 N GLY A 120 4.104 -22.242 -1.640 1.00 0.00 N ATOM 1868 CA GLY A 120 2.915 -23.026 -1.924 1.00 0.00 C ATOM 1869 C GLY A 120 2.113 -22.462 -3.080 1.00 0.00 C ATOM 1870 O GLY A 120 2.623 -21.672 -3.873 1.00 0.00 O ATOM 0 H GLY A 120 4.079 -21.729 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.205 -24.051 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.287 -23.064 -1.034 1.00 0.00 H new ATOM 1874 N LYS A 121 0.852 -22.871 -3.178 1.00 0.00 N ATOM 1875 CA LYS A 121 -0.024 -22.403 -4.245 1.00 0.00 C ATOM 1876 C LYS A 121 -1.423 -22.111 -3.712 1.00 0.00 C ATOM 1877 O LYS A 121 -1.829 -22.647 -2.681 1.00 0.00 O ATOM 1878 CB LYS A 121 -0.101 -23.444 -5.365 1.00 0.00 C ATOM 1879 CG LYS A 121 -0.619 -22.887 -6.679 1.00 0.00 C ATOM 1880 CD LYS A 121 -0.164 -23.728 -7.859 1.00 0.00 C ATOM 1881 CE LYS A 121 -0.977 -23.424 -9.108 1.00 0.00 C ATOM 1882 NZ LYS A 121 -0.706 -24.401 -10.198 1.00 0.00 N ATOM 0 H LYS A 121 0.414 -23.526 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 121 0.394 -21.479 -4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 121 0.891 -23.867 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -0.748 -24.261 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.708 -22.850 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.268 -21.863 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.891 -23.539 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -0.258 -24.785 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -2.039 -23.439 -8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -0.745 -22.418 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -1.279 -24.159 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.302 -24.369 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.952 -25.359 -9.875 1.00 0.00 H new ATOM 1896 N SER A 122 -2.156 -21.259 -4.421 1.00 0.00 N ATOM 1897 CA SER A 122 -3.510 -20.894 -4.019 1.00 0.00 C ATOM 1898 C SER A 122 -4.530 -21.869 -4.597 1.00 0.00 C ATOM 1899 O SER A 122 -4.179 -22.786 -5.338 1.00 0.00 O ATOM 1900 CB SER A 122 -3.833 -19.470 -4.472 1.00 0.00 C ATOM 1901 OG SER A 122 -3.145 -18.514 -3.684 1.00 0.00 O ATOM 0 H SER A 122 -1.835 -20.808 -5.278 1.00 0.00 H new ATOM 0 HA SER A 122 -3.565 -20.942 -2.931 1.00 0.00 H new ATOM 0 HB2 SER A 122 -3.558 -19.347 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 122 -4.907 -19.298 -4.402 1.00 0.00 H new ATOM 0 HG SER A 122 -3.368 -17.612 -3.996 1.00 0.00 H new ATOM 1907 N GLY A 123 -5.798 -21.663 -4.253 1.00 0.00 N ATOM 1908 CA GLY A 123 -6.851 -22.530 -4.746 1.00 0.00 C ATOM 1909 C GLY A 123 -7.851 -21.793 -5.614 1.00 0.00 C ATOM 1910 O GLY A 123 -8.945 -21.438 -5.175 1.00 0.00 O ATOM 0 H GLY A 123 -6.114 -20.910 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -6.408 -23.344 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.371 -22.981 -3.901 1.00 0.00 H new ATOM 1914 N PRO A 124 -7.476 -21.551 -6.880 1.00 0.00 N ATOM 1915 CA PRO A 124 -8.334 -20.847 -7.838 1.00 0.00 C ATOM 1916 C PRO A 124 -9.544 -21.677 -8.252 1.00 0.00 C ATOM 1917 O PRO A 124 -9.401 -22.756 -8.826 1.00 0.00 O ATOM 1918 CB PRO A 124 -7.409 -20.615 -9.036 1.00 0.00 C ATOM 1919 CG PRO A 124 -6.387 -21.694 -8.941 1.00 0.00 C ATOM 1920 CD PRO A 124 -6.187 -21.946 -7.472 1.00 0.00 C ATOM 0 HA PRO A 124 -8.749 -19.931 -7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -7.958 -20.671 -9.976 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -6.948 -19.628 -8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -6.724 -22.597 -9.450 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -5.454 -21.391 -9.416 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -5.956 -22.992 -7.271 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -5.363 -21.356 -7.071 1.00 0.00 H new ATOM 1928 N SER A 125 -10.735 -21.167 -7.956 1.00 0.00 N ATOM 1929 CA SER A 125 -11.970 -21.864 -8.294 1.00 0.00 C ATOM 1930 C SER A 125 -12.854 -20.999 -9.189 1.00 0.00 C ATOM 1931 O SER A 125 -14.069 -20.936 -9.005 1.00 0.00 O ATOM 1932 CB SER A 125 -12.731 -22.244 -7.023 1.00 0.00 C ATOM 1933 OG SER A 125 -13.120 -21.092 -6.297 1.00 0.00 O ATOM 0 H SER A 125 -10.871 -20.274 -7.483 1.00 0.00 H new ATOM 0 HA SER A 125 -11.708 -22.772 -8.838 1.00 0.00 H new ATOM 0 HB2 SER A 125 -13.614 -22.828 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 125 -12.104 -22.878 -6.396 1.00 0.00 H new ATOM 0 HG SER A 125 -13.606 -21.362 -5.490 1.00 0.00 H new ATOM 1939 N SER A 126 -12.233 -20.336 -10.159 1.00 0.00 N ATOM 1940 CA SER A 126 -12.961 -19.472 -11.082 1.00 0.00 C ATOM 1941 C SER A 126 -13.696 -20.298 -12.133 1.00 0.00 C ATOM 1942 O SER A 126 -13.139 -21.233 -12.705 1.00 0.00 O ATOM 1943 CB SER A 126 -12.001 -18.496 -11.764 1.00 0.00 C ATOM 1944 OG SER A 126 -12.708 -17.548 -12.545 1.00 0.00 O ATOM 0 H SER A 126 -11.228 -20.380 -10.326 1.00 0.00 H new ATOM 0 HA SER A 126 -13.696 -18.907 -10.509 1.00 0.00 H new ATOM 0 HB2 SER A 126 -11.406 -17.980 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 126 -11.306 -19.047 -12.397 1.00 0.00 H new ATOM 0 HG SER A 126 -12.072 -16.934 -12.969 1.00 0.00 H new ATOM 1950 N GLY A 127 -14.953 -19.943 -12.382 1.00 0.00 N ATOM 1951 CA GLY A 127 -15.747 -20.659 -13.364 1.00 0.00 C ATOM 1952 C GLY A 127 -17.081 -21.115 -12.809 1.00 0.00 C ATOM 1953 O GLY A 127 -18.129 -20.853 -13.400 1.00 0.00 O ATOM 0 H GLY A 127 -15.436 -19.172 -11.921 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -15.917 -20.016 -14.228 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -15.188 -21.526 -13.717 1.00 0.00 H new TER 1957 GLY A 127