USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 918 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 NoAdj-H: A 44 HIS HD1 : A 44 HIS ND1 : A 54 ZNZN :(H bumps) USER MOD NoAdj-H: B 44 HIS HD1 : B 44 HIS ND1 : B 154 ZNZN :(H bumps) USER MOD Set 1.1: A 12 GLN : amide:sc= 0.728 K(o=1.5,f=-3.1) USER MOD Set 1.2: A 16 LYS NZ :NH3+ -169:sc= 0.812 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -1.97! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00801) USER MOD Single : A 13 GLN : amide:sc= -0.095 X(o=-0.095,f=-0.095) USER MOD Single : A 15 MET CE :methyl 150:sc= -1.66 (180deg=-5.28!) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0472 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0241 K(o=-0.024,f=-2) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= -0.554 (180deg=-0.784) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.3) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 75:sc= 0.973 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-3.3!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 146:sc= 0.834 (180deg=0.24) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 TYR OH : rot 15:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= -0.0715 X(o=-0.072,f=-0.076) USER MOD Single : B 15 MET CE :methyl 160:sc= 0 (180deg=-0.777) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.0209 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= -0.0478 X(o=-0.048,f=-0.48) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 86:sc= 0.647 USER MOD Single : B 52 ASN : amide:sc= -0.132 K(o=-0.13,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.101 21.230 -3.407 1.00 0.00 N ATOM 2 CA MET A 1 7.236 20.589 -4.129 1.00 0.00 C ATOM 3 C MET A 1 7.768 19.377 -3.357 1.00 0.00 C ATOM 4 O MET A 1 7.441 18.251 -3.724 1.00 0.00 O ATOM 5 CB MET A 1 8.339 21.601 -4.509 1.00 0.00 C ATOM 6 CG MET A 1 7.975 22.347 -5.802 1.00 0.00 C ATOM 7 SD MET A 1 9.085 23.715 -6.244 1.00 0.00 S ATOM 8 CE MET A 1 8.339 25.060 -5.278 1.00 0.00 C ATOM 0 H1 MET A 1 5.760 22.048 -3.952 1.00 0.00 H new ATOM 0 H2 MET A 1 5.329 20.543 -3.295 1.00 0.00 H new ATOM 0 H3 MET A 1 6.421 21.548 -2.470 1.00 0.00 H new ATOM 0 HA MET A 1 6.853 20.213 -5.078 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.477 22.316 -3.698 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.287 21.080 -4.640 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.961 21.631 -6.624 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.963 22.739 -5.704 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.904 25.979 -5.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.307 25.208 -5.597 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.358 24.801 -4.219 1.00 0.00 H new ATOM 20 N ASP A 2 8.550 19.561 -2.284 1.00 0.00 N ATOM 21 CA ASP A 2 9.116 18.477 -1.450 1.00 0.00 C ATOM 22 C ASP A 2 8.066 17.812 -0.519 1.00 0.00 C ATOM 23 O ASP A 2 8.113 17.936 0.706 1.00 0.00 O ATOM 24 CB ASP A 2 10.338 19.019 -0.686 1.00 0.00 C ATOM 25 CG ASP A 2 11.090 17.930 0.105 1.00 0.00 C ATOM 26 OD1 ASP A 2 11.165 16.769 -0.365 1.00 0.00 O ATOM 27 OD2 ASP A 2 11.652 18.245 1.183 1.00 0.00 O ATOM 0 H ASP A 2 8.817 20.490 -1.959 1.00 0.00 H new ATOM 0 HA ASP A 2 9.442 17.669 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.024 19.484 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.012 19.799 0.002 1.00 0.00 H new ATOM 32 N TYR A 3 7.065 17.162 -1.122 1.00 0.00 N ATOM 33 CA TYR A 3 5.848 16.654 -0.465 1.00 0.00 C ATOM 34 C TYR A 3 5.337 15.385 -1.185 1.00 0.00 C ATOM 35 O TYR A 3 4.170 15.288 -1.569 1.00 0.00 O ATOM 36 CB TYR A 3 4.807 17.798 -0.424 1.00 0.00 C ATOM 37 CG TYR A 3 3.812 17.795 0.729 1.00 0.00 C ATOM 38 CD1 TYR A 3 3.345 16.602 1.319 1.00 0.00 C ATOM 39 CD2 TYR A 3 3.350 19.033 1.223 1.00 0.00 C ATOM 40 CE1 TYR A 3 2.449 16.651 2.404 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.455 19.083 2.308 1.00 0.00 C ATOM 42 CZ TYR A 3 2.010 17.889 2.913 1.00 0.00 C ATOM 43 OH TYR A 3 1.163 17.926 3.978 1.00 0.00 O ATOM 0 H TYR A 3 7.078 16.965 -2.123 1.00 0.00 H new ATOM 0 HA TYR A 3 6.054 16.349 0.561 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.347 18.745 -0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.243 17.775 -1.356 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.676 15.647 0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.686 19.951 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.096 15.733 2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.108 20.037 2.678 1.00 0.00 H new ATOM 0 HH TYR A 3 0.960 18.858 4.202 1.00 0.00 H new ATOM 53 N LEU A 4 6.243 14.425 -1.427 1.00 0.00 N ATOM 54 CA LEU A 4 5.961 13.181 -2.161 1.00 0.00 C ATOM 55 C LEU A 4 6.622 11.928 -1.557 1.00 0.00 C ATOM 56 O LEU A 4 5.924 10.942 -1.319 1.00 0.00 O ATOM 57 CB LEU A 4 6.261 13.390 -3.662 1.00 0.00 C ATOM 58 CG LEU A 4 7.751 13.603 -3.992 1.00 0.00 C ATOM 59 CD1 LEU A 4 8.398 12.318 -4.509 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.962 14.693 -5.041 1.00 0.00 C ATOM 0 H LEU A 4 7.211 14.493 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 4 4.898 12.963 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.899 12.524 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.697 14.253 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 4 8.219 13.909 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.449 12.504 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.320 11.540 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.887 11.992 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.028 14.806 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.449 14.416 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.560 15.636 -4.671 1.00 0.00 H new ATOM 72 N ARG A 5 7.917 11.968 -1.199 1.00 0.00 N ATOM 73 CA ARG A 5 8.586 10.876 -0.456 1.00 0.00 C ATOM 74 C ARG A 5 7.976 10.699 0.939 1.00 0.00 C ATOM 75 O ARG A 5 7.778 9.577 1.400 1.00 0.00 O ATOM 76 CB ARG A 5 10.102 11.151 -0.402 1.00 0.00 C ATOM 77 CG ARG A 5 10.894 9.956 0.159 1.00 0.00 C ATOM 78 CD ARG A 5 12.413 10.153 0.060 1.00 0.00 C ATOM 79 NE ARG A 5 12.911 11.200 0.979 1.00 0.00 N ATOM 80 CZ ARG A 5 14.169 11.586 1.120 1.00 0.00 C ATOM 81 NH1 ARG A 5 15.137 11.070 0.416 1.00 0.00 N ATOM 82 NH2 ARG A 5 14.485 12.505 1.987 1.00 0.00 N ATOM 0 H ARG A 5 8.531 12.754 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 5 8.429 9.932 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.462 11.384 -1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.288 12.029 0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.619 9.801 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.613 9.053 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.913 9.211 0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.675 10.419 -0.964 1.00 0.00 H new ATOM 0 HE ARG A 5 12.217 11.670 1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.937 10.343 -0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.095 11.393 0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.761 12.933 2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.457 12.797 2.089 1.00 0.00 H new ATOM 96 N GLU A 6 7.594 11.818 1.554 1.00 0.00 N ATOM 97 CA GLU A 6 6.821 11.881 2.800 1.00 0.00 C ATOM 98 C GLU A 6 5.493 11.109 2.696 1.00 0.00 C ATOM 99 O GLU A 6 5.117 10.377 3.609 1.00 0.00 O ATOM 100 CB GLU A 6 6.565 13.366 3.133 1.00 0.00 C ATOM 101 CG GLU A 6 6.125 13.618 4.582 1.00 0.00 C ATOM 102 CD GLU A 6 7.307 13.505 5.568 1.00 0.00 C ATOM 103 OE1 GLU A 6 7.613 12.384 6.038 1.00 0.00 O ATOM 104 OE2 GLU A 6 7.941 14.543 5.880 1.00 0.00 O ATOM 0 H GLU A 6 7.822 12.742 1.186 1.00 0.00 H new ATOM 0 HA GLU A 6 7.392 11.405 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.475 13.933 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.799 13.751 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.681 14.610 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.352 12.900 4.857 1.00 0.00 H new ATOM 111 N LEU A 7 4.801 11.231 1.556 1.00 0.00 N ATOM 112 CA LEU A 7 3.509 10.580 1.312 1.00 0.00 C ATOM 113 C LEU A 7 3.664 9.079 1.085 1.00 0.00 C ATOM 114 O LEU A 7 3.043 8.300 1.800 1.00 0.00 O ATOM 115 CB LEU A 7 2.802 11.215 0.104 1.00 0.00 C ATOM 116 CG LEU A 7 2.564 12.723 0.237 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.783 13.218 -0.970 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.764 13.079 1.484 1.00 0.00 C ATOM 0 H LEU A 7 5.127 11.791 0.768 1.00 0.00 H new ATOM 0 HA LEU A 7 2.902 10.727 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.398 11.030 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.843 10.719 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 7 3.544 13.194 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.612 14.291 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.351 13.018 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.825 12.701 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.624 14.159 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.792 12.588 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.304 12.745 2.370 1.00 0.00 H new ATOM 130 N TYR A 8 4.528 8.685 0.142 1.00 0.00 N ATOM 131 CA TYR A 8 4.887 7.301 -0.224 1.00 0.00 C ATOM 132 C TYR A 8 5.161 6.430 0.996 1.00 0.00 C ATOM 133 O TYR A 8 4.766 5.269 1.053 1.00 0.00 O ATOM 134 CB TYR A 8 6.186 7.416 -1.059 1.00 0.00 C ATOM 135 CG TYR A 8 6.586 6.317 -2.038 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.692 4.970 -1.636 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.006 6.679 -3.334 1.00 0.00 C ATOM 138 CE1 TYR A 8 7.201 3.996 -2.518 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.489 5.706 -4.231 1.00 0.00 C ATOM 140 CZ TYR A 8 7.599 4.362 -3.823 1.00 0.00 C ATOM 141 OH TYR A 8 8.113 3.436 -4.679 1.00 0.00 O ATOM 0 H TYR A 8 5.031 9.367 -0.426 1.00 0.00 H new ATOM 0 HA TYR A 8 4.064 6.834 -0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.119 8.343 -1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.010 7.533 -0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.380 4.682 -0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.957 7.713 -3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.287 2.969 -2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.775 5.991 -5.233 1.00 0.00 H new ATOM 0 HH TYR A 8 8.331 3.865 -5.533 1.00 0.00 H new ATOM 151 N LYS A 9 5.846 6.998 1.983 1.00 0.00 N ATOM 152 CA LYS A 9 6.259 6.294 3.192 1.00 0.00 C ATOM 153 C LYS A 9 5.111 5.940 4.136 1.00 0.00 C ATOM 154 O LYS A 9 4.960 4.772 4.480 1.00 0.00 O ATOM 155 CB LYS A 9 7.365 7.138 3.819 1.00 0.00 C ATOM 156 CG LYS A 9 8.053 6.457 4.999 1.00 0.00 C ATOM 157 CD LYS A 9 9.361 7.207 5.272 1.00 0.00 C ATOM 158 CE LYS A 9 10.545 6.740 4.406 1.00 0.00 C ATOM 159 NZ LYS A 9 11.039 5.391 4.795 1.00 0.00 N ATOM 0 H LYS A 9 6.134 7.976 1.965 1.00 0.00 H new ATOM 0 HA LYS A 9 6.641 5.303 2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.110 7.370 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.943 8.086 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.410 6.476 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.253 5.410 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.199 8.272 5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.624 7.087 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.241 6.724 3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.359 7.460 4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.878 5.152 4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.291 5.391 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.294 4.686 4.625 1.00 0.00 H new ATOM 173 N LEU A 10 4.249 6.889 4.491 1.00 0.00 N ATOM 174 CA LEU A 10 2.987 6.622 5.174 1.00 0.00 C ATOM 175 C LEU A 10 1.980 5.821 4.322 1.00 0.00 C ATOM 176 O LEU A 10 1.252 4.986 4.857 1.00 0.00 O ATOM 177 CB LEU A 10 2.406 7.935 5.727 1.00 0.00 C ATOM 178 CG LEU A 10 3.243 8.443 6.924 1.00 0.00 C ATOM 179 CD1 LEU A 10 4.143 9.625 6.579 1.00 0.00 C ATOM 180 CD2 LEU A 10 2.341 8.830 8.098 1.00 0.00 C ATOM 0 H LEU A 10 4.410 7.880 4.309 1.00 0.00 H new ATOM 0 HA LEU A 10 3.198 5.963 6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.390 8.691 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.374 7.778 6.039 1.00 0.00 H new ATOM 0 HG LEU A 10 3.888 7.609 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.700 9.929 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.841 9.334 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.532 10.458 6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.954 9.184 8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.659 9.622 7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.766 7.961 8.417 1.00 0.00 H new ATOM 192 N GLU A 11 2.003 5.976 2.997 1.00 0.00 N ATOM 193 CA GLU A 11 1.353 5.081 2.028 1.00 0.00 C ATOM 194 C GLU A 11 1.871 3.631 2.177 1.00 0.00 C ATOM 195 O GLU A 11 1.067 2.697 2.197 1.00 0.00 O ATOM 196 CB GLU A 11 1.548 5.680 0.610 1.00 0.00 C ATOM 197 CG GLU A 11 0.411 6.623 0.174 1.00 0.00 C ATOM 198 CD GLU A 11 -0.836 5.908 -0.360 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.733 5.375 0.314 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.200 5.875 -1.551 1.00 0.00 O ATOM 0 H GLU A 11 2.490 6.753 2.550 1.00 0.00 H new ATOM 0 HA GLU A 11 0.282 5.013 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.491 6.226 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.629 4.866 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.124 7.243 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.788 7.294 -0.597 1.00 0.00 H new ATOM 207 N GLN A 12 3.179 3.420 2.401 1.00 0.00 N ATOM 208 CA GLN A 12 3.754 2.114 2.706 1.00 0.00 C ATOM 209 C GLN A 12 3.517 1.607 4.134 1.00 0.00 C ATOM 210 O GLN A 12 3.535 0.400 4.347 1.00 0.00 O ATOM 211 CB GLN A 12 5.256 2.092 2.420 1.00 0.00 C ATOM 212 CG GLN A 12 5.537 1.848 0.940 1.00 0.00 C ATOM 213 CD GLN A 12 7.002 1.468 0.744 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.378 0.304 0.822 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.889 2.418 0.555 1.00 0.00 N ATOM 0 H GLN A 12 3.871 4.169 2.373 1.00 0.00 H new ATOM 0 HA GLN A 12 3.218 1.434 2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.700 3.040 2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.730 1.312 3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.893 1.053 0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.305 2.744 0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.588 3.390 0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.878 2.183 0.475 1.00 0.00 H new ATOM 224 N GLN A 13 3.267 2.470 5.114 1.00 0.00 N ATOM 225 CA GLN A 13 2.940 2.030 6.485 1.00 0.00 C ATOM 226 C GLN A 13 1.623 1.254 6.535 1.00 0.00 C ATOM 227 O GLN A 13 1.528 0.276 7.275 1.00 0.00 O ATOM 228 CB GLN A 13 2.894 3.215 7.470 1.00 0.00 C ATOM 229 CG GLN A 13 4.275 3.794 7.817 1.00 0.00 C ATOM 230 CD GLN A 13 5.139 2.823 8.625 1.00 0.00 C ATOM 231 OE1 GLN A 13 4.796 2.402 9.722 1.00 0.00 O ATOM 232 NE2 GLN A 13 6.292 2.429 8.124 1.00 0.00 N ATOM 0 H GLN A 13 3.282 3.483 4.993 1.00 0.00 H new ATOM 0 HA GLN A 13 3.742 1.360 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.277 4.005 7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.406 2.891 8.389 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.796 4.057 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.145 4.716 8.384 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.594 2.769 7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.882 1.784 8.649 1.00 0.00 H new ATOM 241 N ALA A 14 0.648 1.607 5.688 1.00 0.00 N ATOM 242 CA ALA A 14 -0.526 0.772 5.462 1.00 0.00 C ATOM 243 C ALA A 14 -0.130 -0.536 4.760 1.00 0.00 C ATOM 244 O ALA A 14 -0.578 -1.593 5.179 1.00 0.00 O ATOM 245 CB ALA A 14 -1.566 1.573 4.667 1.00 0.00 C ATOM 0 H ALA A 14 0.655 2.472 5.147 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.974 0.489 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.447 0.955 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.851 2.461 5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.140 1.873 3.710 1.00 0.00 H new ATOM 251 N MET A 15 0.751 -0.504 3.751 1.00 0.00 N ATOM 252 CA MET A 15 1.209 -1.714 3.031 1.00 0.00 C ATOM 253 C MET A 15 1.944 -2.722 3.924 1.00 0.00 C ATOM 254 O MET A 15 1.696 -3.926 3.830 1.00 0.00 O ATOM 255 CB MET A 15 2.104 -1.348 1.834 1.00 0.00 C ATOM 256 CG MET A 15 1.425 -0.491 0.760 1.00 0.00 C ATOM 257 SD MET A 15 0.351 -1.385 -0.399 1.00 0.00 S ATOM 258 CE MET A 15 -1.149 -1.646 0.592 1.00 0.00 C ATOM 0 H MET A 15 1.170 0.359 3.406 1.00 0.00 H new ATOM 0 HA MET A 15 0.298 -2.197 2.679 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.980 -0.815 2.203 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.462 -2.268 1.372 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.833 0.278 1.256 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.198 0.022 0.188 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.019 -1.672 -0.064 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.071 -2.592 1.129 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.259 -0.831 1.307 1.00 0.00 H new ATOM 268 N LYS A 16 2.810 -2.255 4.830 1.00 0.00 N ATOM 269 CA LYS A 16 3.492 -3.110 5.810 1.00 0.00 C ATOM 270 C LYS A 16 2.510 -3.707 6.818 1.00 0.00 C ATOM 271 O LYS A 16 2.613 -4.892 7.138 1.00 0.00 O ATOM 272 CB LYS A 16 4.593 -2.301 6.511 1.00 0.00 C ATOM 273 CG LYS A 16 5.981 -2.428 5.856 1.00 0.00 C ATOM 274 CD LYS A 16 6.054 -2.033 4.368 1.00 0.00 C ATOM 275 CE LYS A 16 7.493 -2.225 3.857 1.00 0.00 C ATOM 276 NZ LYS A 16 7.609 -2.075 2.380 1.00 0.00 N ATOM 0 H LYS A 16 3.059 -1.269 4.905 1.00 0.00 H new ATOM 0 HA LYS A 16 3.948 -3.950 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.304 -1.250 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.662 -2.625 7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.684 -1.808 6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.317 -3.460 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.365 -2.643 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.747 -0.995 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.145 -1.500 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.846 -3.215 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.549 -2.395 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.878 -2.650 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.481 -1.076 2.121 1.00 0.00 H new ATOM 290 N LEU A 17 1.513 -2.929 7.247 1.00 0.00 N ATOM 291 CA LEU A 17 0.367 -3.456 7.999 1.00 0.00 C ATOM 292 C LEU A 17 -0.432 -4.501 7.199 1.00 0.00 C ATOM 293 O LEU A 17 -0.770 -5.554 7.735 1.00 0.00 O ATOM 294 CB LEU A 17 -0.528 -2.287 8.464 1.00 0.00 C ATOM 295 CG LEU A 17 -0.487 -2.098 9.987 1.00 0.00 C ATOM 296 CD1 LEU A 17 -1.210 -0.812 10.364 1.00 0.00 C ATOM 297 CD2 LEU A 17 -1.152 -3.251 10.743 1.00 0.00 C ATOM 0 H LEU A 17 1.475 -1.923 7.085 1.00 0.00 H new ATOM 0 HA LEU A 17 0.749 -3.980 8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.205 -1.367 7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.555 -2.470 8.150 1.00 0.00 H new ATOM 0 HG LEU A 17 0.565 -2.062 10.269 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.179 -0.681 11.446 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.722 0.035 9.882 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.248 -0.868 10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.094 -3.065 11.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.197 -3.327 10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.639 -4.184 10.509 1.00 0.00 H new ATOM 309 N TYR A 18 -0.684 -4.250 5.912 1.00 0.00 N ATOM 310 CA TYR A 18 -1.438 -5.115 5.006 1.00 0.00 C ATOM 311 C TYR A 18 -0.775 -6.480 4.756 1.00 0.00 C ATOM 312 O TYR A 18 -1.496 -7.476 4.642 1.00 0.00 O ATOM 313 CB TYR A 18 -1.727 -4.357 3.691 1.00 0.00 C ATOM 314 CG TYR A 18 -3.046 -3.597 3.683 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.233 -4.314 3.895 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.105 -2.199 3.496 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.466 -3.649 3.996 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.336 -1.520 3.597 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.516 -2.244 3.880 1.00 0.00 C ATOM 320 OH TYR A 18 -6.692 -1.590 4.063 1.00 0.00 O ATOM 0 H TYR A 18 -0.353 -3.401 5.454 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.382 -5.357 5.495 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.915 -3.654 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.727 -5.070 2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.198 -5.390 3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.203 -1.647 3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.373 -4.212 4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.377 -0.450 3.459 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.552 -0.627 3.949 1.00 0.00 H new ATOM 330 N ARG A 19 0.567 -6.578 4.755 1.00 0.00 N ATOM 331 CA ARG A 19 1.257 -7.886 4.746 1.00 0.00 C ATOM 332 C ARG A 19 0.863 -8.754 5.942 1.00 0.00 C ATOM 333 O ARG A 19 0.574 -9.937 5.781 1.00 0.00 O ATOM 334 CB ARG A 19 2.787 -7.731 4.727 1.00 0.00 C ATOM 335 CG ARG A 19 3.341 -7.273 3.370 1.00 0.00 C ATOM 336 CD ARG A 19 4.854 -7.533 3.263 1.00 0.00 C ATOM 337 NE ARG A 19 5.157 -8.980 3.160 1.00 0.00 N ATOM 338 CZ ARG A 19 5.662 -9.781 4.086 1.00 0.00 C ATOM 339 NH1 ARG A 19 6.027 -9.355 5.263 1.00 0.00 N ATOM 340 NH2 ARG A 19 5.802 -11.054 3.845 1.00 0.00 N ATOM 0 H ARG A 19 1.194 -5.774 4.760 1.00 0.00 H new ATOM 0 HA ARG A 19 0.937 -8.380 3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.081 -7.012 5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.244 -8.684 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.823 -7.798 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.143 -6.210 3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.251 -7.015 2.390 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.357 -7.117 4.136 1.00 0.00 H new ATOM 0 HE ARG A 19 4.950 -9.415 2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.928 -8.368 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.411 -10.009 5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.522 -11.436 2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.191 -11.669 4.560 1.00 0.00 H new ATOM 354 N GLU A 20 0.821 -8.167 7.136 1.00 0.00 N ATOM 355 CA GLU A 20 0.495 -8.891 8.369 1.00 0.00 C ATOM 356 C GLU A 20 -1.005 -9.150 8.513 1.00 0.00 C ATOM 357 O GLU A 20 -1.420 -10.225 8.944 1.00 0.00 O ATOM 358 CB GLU A 20 0.989 -8.081 9.576 1.00 0.00 C ATOM 359 CG GLU A 20 1.526 -8.953 10.720 1.00 0.00 C ATOM 360 CD GLU A 20 2.939 -9.491 10.414 1.00 0.00 C ATOM 361 OE1 GLU A 20 3.065 -10.523 9.713 1.00 0.00 O ATOM 362 OE2 GLU A 20 3.936 -8.888 10.882 1.00 0.00 O ATOM 0 H GLU A 20 1.012 -7.175 7.279 1.00 0.00 H new ATOM 0 HA GLU A 20 0.992 -9.860 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.775 -7.400 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.170 -7.467 9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.550 -8.370 11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.847 -9.789 10.890 1.00 0.00 H new ATOM 369 N ALA A 21 -1.823 -8.186 8.091 1.00 0.00 N ATOM 370 CA ALA A 21 -3.277 -8.321 8.000 1.00 0.00 C ATOM 371 C ALA A 21 -3.705 -9.516 7.124 1.00 0.00 C ATOM 372 O ALA A 21 -4.684 -10.188 7.440 1.00 0.00 O ATOM 373 CB ALA A 21 -3.867 -7.007 7.478 1.00 0.00 C ATOM 0 H ALA A 21 -1.486 -7.269 7.796 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.667 -8.527 8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.951 -7.098 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.615 -6.197 8.163 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.455 -6.790 6.492 1.00 0.00 H new ATOM 379 N SER A 22 -2.945 -9.833 6.068 1.00 0.00 N ATOM 380 CA SER A 22 -3.126 -11.051 5.262 1.00 0.00 C ATOM 381 C SER A 22 -2.911 -12.345 6.071 1.00 0.00 C ATOM 382 O SER A 22 -3.632 -13.326 5.884 1.00 0.00 O ATOM 383 CB SER A 22 -2.171 -11.008 4.064 1.00 0.00 C ATOM 384 OG SER A 22 -2.536 -11.968 3.087 1.00 0.00 O ATOM 0 H SER A 22 -2.177 -9.245 5.744 1.00 0.00 H new ATOM 0 HA SER A 22 -4.161 -11.070 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.182 -10.012 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.151 -11.196 4.400 1.00 0.00 H new ATOM 0 HG SER A 22 -1.913 -11.920 2.332 1.00 0.00 H new ATOM 390 N GLU A 23 -1.971 -12.356 7.024 1.00 0.00 N ATOM 391 CA GLU A 23 -1.748 -13.493 7.934 1.00 0.00 C ATOM 392 C GLU A 23 -2.797 -13.570 9.052 1.00 0.00 C ATOM 393 O GLU A 23 -3.270 -14.656 9.389 1.00 0.00 O ATOM 394 CB GLU A 23 -0.338 -13.409 8.535 1.00 0.00 C ATOM 395 CG GLU A 23 0.176 -14.801 8.930 1.00 0.00 C ATOM 396 CD GLU A 23 1.646 -14.765 9.391 1.00 0.00 C ATOM 397 OE1 GLU A 23 2.556 -14.889 8.535 1.00 0.00 O ATOM 398 OE2 GLU A 23 1.900 -14.651 10.615 1.00 0.00 O ATOM 0 H GLU A 23 -1.338 -11.573 7.189 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.846 -14.404 7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.343 -12.958 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.350 -12.760 9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.445 -15.203 9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.079 -15.478 8.081 1.00 0.00 H new ATOM 405 N LYS A 24 -3.210 -12.413 9.586 1.00 0.00 N ATOM 406 CA LYS A 24 -4.341 -12.294 10.530 1.00 0.00 C ATOM 407 C LYS A 24 -5.666 -12.767 9.912 1.00 0.00 C ATOM 408 O LYS A 24 -6.476 -13.376 10.610 1.00 0.00 O ATOM 409 CB LYS A 24 -4.474 -10.847 11.042 1.00 0.00 C ATOM 410 CG LYS A 24 -3.292 -10.341 11.892 1.00 0.00 C ATOM 411 CD LYS A 24 -3.416 -10.593 13.406 1.00 0.00 C ATOM 412 CE LYS A 24 -3.445 -12.081 13.787 1.00 0.00 C ATOM 413 NZ LYS A 24 -3.397 -12.275 15.262 1.00 0.00 N ATOM 0 H LYS A 24 -2.766 -11.519 9.375 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.123 -12.949 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.594 -10.185 10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.386 -10.770 11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.379 -10.817 11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.179 -9.270 11.727 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.579 -10.114 13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.326 -10.116 13.771 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.350 -12.540 13.389 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.599 -12.591 13.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.418 -13.292 15.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.521 -11.859 15.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.218 -11.810 15.700 1.00 0.00 H new ATOM 427 N ALA A 25 -5.860 -12.538 8.611 1.00 0.00 N ATOM 428 CA ALA A 25 -6.965 -13.087 7.829 1.00 0.00 C ATOM 429 C ALA A 25 -6.845 -14.608 7.636 1.00 0.00 C ATOM 430 O ALA A 25 -7.683 -15.369 8.125 1.00 0.00 O ATOM 431 CB ALA A 25 -7.015 -12.370 6.470 1.00 0.00 C ATOM 0 H ALA A 25 -5.235 -11.950 8.060 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.892 -12.917 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.837 -12.772 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.169 -11.302 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.075 -12.527 5.941 1.00 0.00 H new ATOM 437 N ARG A 26 -5.817 -15.035 6.887 1.00 0.00 N ATOM 438 CA ARG A 26 -5.619 -16.391 6.332 1.00 0.00 C ATOM 439 C ARG A 26 -6.891 -17.057 5.752 1.00 0.00 C ATOM 440 O ARG A 26 -6.998 -18.284 5.723 1.00 0.00 O ATOM 441 CB ARG A 26 -4.866 -17.257 7.371 1.00 0.00 C ATOM 442 CG ARG A 26 -3.736 -18.104 6.762 1.00 0.00 C ATOM 443 CD ARG A 26 -2.547 -17.229 6.329 1.00 0.00 C ATOM 444 NE ARG A 26 -1.384 -18.041 5.921 1.00 0.00 N ATOM 445 CZ ARG A 26 -0.237 -17.592 5.437 1.00 0.00 C ATOM 446 NH1 ARG A 26 -0.037 -16.329 5.177 1.00 0.00 N ATOM 447 NH2 ARG A 26 0.744 -18.414 5.200 1.00 0.00 N ATOM 0 H ARG A 26 -5.053 -14.408 6.635 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.998 -16.295 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.448 -16.607 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.578 -17.918 7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.400 -18.842 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.116 -18.655 5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.851 -16.588 5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.261 -16.573 7.151 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.473 -19.052 6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.779 -15.650 5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.861 -16.021 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.631 -19.410 5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.626 -18.062 4.827 1.00 0.00 H new ATOM 461 N ASN A 27 -7.848 -16.248 5.279 1.00 0.00 N ATOM 462 CA ASN A 27 -9.176 -16.656 4.803 1.00 0.00 C ATOM 463 C ASN A 27 -9.450 -16.067 3.401 1.00 0.00 C ATOM 464 O ASN A 27 -9.238 -14.864 3.204 1.00 0.00 O ATOM 465 CB ASN A 27 -10.221 -16.182 5.834 1.00 0.00 C ATOM 466 CG ASN A 27 -11.643 -16.548 5.433 1.00 0.00 C ATOM 467 OD1 ASN A 27 -12.218 -15.968 4.521 1.00 0.00 O ATOM 468 ND2 ASN A 27 -12.249 -17.530 6.059 1.00 0.00 N ATOM 0 H ASN A 27 -7.710 -15.239 5.215 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.232 -17.740 4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.995 -16.624 6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.147 -15.101 5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.192 -17.805 5.784 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.777 -18.018 6.820 1.00 0.00 H new ATOM 475 N PRO A 28 -9.929 -16.867 2.426 1.00 0.00 N ATOM 476 CA PRO A 28 -9.967 -16.475 1.017 1.00 0.00 C ATOM 477 C PRO A 28 -10.993 -15.383 0.689 1.00 0.00 C ATOM 478 O PRO A 28 -10.846 -14.714 -0.333 1.00 0.00 O ATOM 479 CB PRO A 28 -10.257 -17.764 0.241 1.00 0.00 C ATOM 480 CG PRO A 28 -11.038 -18.610 1.242 1.00 0.00 C ATOM 481 CD PRO A 28 -10.390 -18.242 2.573 1.00 0.00 C ATOM 0 HA PRO A 28 -9.016 -16.021 0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.838 -17.569 -0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.338 -18.259 -0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.102 -18.372 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.948 -19.675 1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.104 -18.329 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.560 -18.910 2.801 1.00 0.00 H new ATOM 489 N GLU A 29 -12.010 -15.157 1.532 1.00 0.00 N ATOM 490 CA GLU A 29 -12.969 -14.060 1.323 1.00 0.00 C ATOM 491 C GLU A 29 -12.277 -12.701 1.489 1.00 0.00 C ATOM 492 O GLU A 29 -12.224 -11.880 0.570 1.00 0.00 O ATOM 493 CB GLU A 29 -14.156 -14.211 2.293 1.00 0.00 C ATOM 494 CG GLU A 29 -15.341 -13.294 1.959 1.00 0.00 C ATOM 495 CD GLU A 29 -16.088 -13.750 0.688 1.00 0.00 C ATOM 496 OE1 GLU A 29 -17.005 -14.600 0.790 1.00 0.00 O ATOM 497 OE2 GLU A 29 -15.769 -13.256 -0.422 1.00 0.00 O ATOM 0 H GLU A 29 -12.191 -15.718 2.365 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.353 -14.109 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.494 -15.247 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.816 -13.998 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.034 -13.277 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.982 -12.274 1.822 1.00 0.00 H new ATOM 504 N LYS A 30 -11.655 -12.514 2.654 1.00 0.00 N ATOM 505 CA LYS A 30 -10.835 -11.341 3.004 1.00 0.00 C ATOM 506 C LYS A 30 -9.620 -11.204 2.087 1.00 0.00 C ATOM 507 O LYS A 30 -9.322 -10.090 1.657 1.00 0.00 O ATOM 508 CB LYS A 30 -10.439 -11.424 4.492 1.00 0.00 C ATOM 509 CG LYS A 30 -10.688 -10.124 5.271 1.00 0.00 C ATOM 510 CD LYS A 30 -9.686 -8.999 4.969 1.00 0.00 C ATOM 511 CE LYS A 30 -9.925 -7.868 5.981 1.00 0.00 C ATOM 512 NZ LYS A 30 -8.840 -6.850 5.970 1.00 0.00 N ATOM 0 H LYS A 30 -11.707 -13.196 3.410 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.424 -10.437 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.998 -12.232 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.383 -11.683 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.693 -9.768 5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.658 -10.343 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.663 -9.369 5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.818 -8.634 3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.876 -7.383 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.009 -8.293 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.950 -6.217 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.917 -7.326 6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.894 -6.294 5.092 1.00 0.00 H new ATOM 526 N LYS A 31 -8.978 -12.321 1.711 1.00 0.00 N ATOM 527 CA LYS A 31 -7.853 -12.366 0.749 1.00 0.00 C ATOM 528 C LYS A 31 -8.196 -11.940 -0.692 1.00 0.00 C ATOM 529 O LYS A 31 -7.288 -11.776 -1.503 1.00 0.00 O ATOM 530 CB LYS A 31 -7.129 -13.725 0.813 1.00 0.00 C ATOM 531 CG LYS A 31 -5.610 -13.542 0.648 1.00 0.00 C ATOM 532 CD LYS A 31 -4.858 -14.867 0.787 1.00 0.00 C ATOM 533 CE LYS A 31 -3.350 -14.594 0.688 1.00 0.00 C ATOM 534 NZ LYS A 31 -2.559 -15.852 0.692 1.00 0.00 N ATOM 0 H LYS A 31 -9.228 -13.241 2.072 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.162 -11.590 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.340 -14.210 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.508 -14.382 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.401 -13.106 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.246 -12.838 1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.094 -15.337 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.168 -15.560 0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.141 -14.036 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.039 -13.967 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.546 -15.626 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.739 -16.372 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.838 -16.440 -0.119 1.00 0.00 H new ATOM 548 N SER A 32 -9.468 -11.660 -0.985 1.00 0.00 N ATOM 549 CA SER A 32 -9.938 -11.027 -2.232 1.00 0.00 C ATOM 550 C SER A 32 -10.636 -9.674 -1.999 1.00 0.00 C ATOM 551 O SER A 32 -11.246 -9.120 -2.915 1.00 0.00 O ATOM 552 CB SER A 32 -10.835 -11.997 -3.015 1.00 0.00 C ATOM 553 OG SER A 32 -10.093 -13.138 -3.425 1.00 0.00 O ATOM 0 H SER A 32 -10.230 -11.873 -0.342 1.00 0.00 H new ATOM 0 HA SER A 32 -9.055 -10.803 -2.830 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.676 -12.306 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.251 -11.493 -3.887 1.00 0.00 H new ATOM 0 HG SER A 32 -10.678 -13.748 -3.921 1.00 0.00 H new ATOM 559 N VAL A 33 -10.493 -9.103 -0.795 1.00 0.00 N ATOM 560 CA VAL A 33 -10.954 -7.751 -0.426 1.00 0.00 C ATOM 561 C VAL A 33 -9.757 -6.856 -0.104 1.00 0.00 C ATOM 562 O VAL A 33 -9.620 -5.794 -0.713 1.00 0.00 O ATOM 563 CB VAL A 33 -11.956 -7.814 0.748 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.320 -6.427 1.293 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.261 -8.492 0.316 1.00 0.00 C ATOM 0 H VAL A 33 -10.037 -9.585 -0.021 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.480 -7.313 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.455 -8.386 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.027 -6.533 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.419 -5.929 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.773 -5.832 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.951 -8.525 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.712 -7.927 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.050 -9.507 -0.019 1.00 0.00 H new ATOM 575 N LEU A 34 -8.822 -7.292 0.757 1.00 0.00 N ATOM 576 CA LEU A 34 -7.596 -6.535 1.008 1.00 0.00 C ATOM 577 C LEU A 34 -6.651 -6.535 -0.220 1.00 0.00 C ATOM 578 O LEU A 34 -5.849 -5.619 -0.383 1.00 0.00 O ATOM 579 CB LEU A 34 -6.993 -6.991 2.356 1.00 0.00 C ATOM 580 CG LEU A 34 -5.868 -8.019 2.258 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.193 -8.270 3.608 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.278 -9.395 1.757 1.00 0.00 C ATOM 0 H LEU A 34 -8.896 -8.161 1.286 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.808 -5.472 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.615 -6.113 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.792 -7.409 2.969 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.202 -7.553 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.400 -9.008 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.768 -7.338 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.930 -8.643 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.404 -10.046 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.023 -9.820 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.700 -9.307 0.756 1.00 0.00 H new ATOM 594 N GLN A 35 -6.791 -7.514 -1.126 1.00 0.00 N ATOM 595 CA GLN A 35 -6.039 -7.609 -2.382 1.00 0.00 C ATOM 596 C GLN A 35 -6.384 -6.468 -3.357 1.00 0.00 C ATOM 597 O GLN A 35 -5.508 -5.977 -4.072 1.00 0.00 O ATOM 598 CB GLN A 35 -6.284 -9.007 -2.980 1.00 0.00 C ATOM 599 CG GLN A 35 -5.622 -9.275 -4.345 1.00 0.00 C ATOM 600 CD GLN A 35 -6.423 -8.793 -5.561 1.00 0.00 C ATOM 601 OE1 GLN A 35 -7.585 -8.414 -5.491 1.00 0.00 O ATOM 602 NE2 GLN A 35 -5.835 -8.801 -6.739 1.00 0.00 N ATOM 0 H GLN A 35 -7.450 -8.282 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.974 -7.488 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.926 -9.753 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.359 -9.155 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.645 -8.793 -4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.450 -10.347 -4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.867 -9.112 -6.824 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.347 -8.496 -7.567 1.00 0.00 H new ATOM 611 N LYS A 36 -7.639 -6.001 -3.363 1.00 0.00 N ATOM 612 CA LYS A 36 -8.090 -4.917 -4.245 1.00 0.00 C ATOM 613 C LYS A 36 -7.604 -3.544 -3.768 1.00 0.00 C ATOM 614 O LYS A 36 -7.196 -2.719 -4.584 1.00 0.00 O ATOM 615 CB LYS A 36 -9.615 -5.018 -4.380 1.00 0.00 C ATOM 616 CG LYS A 36 -10.146 -4.190 -5.558 1.00 0.00 C ATOM 617 CD LYS A 36 -11.546 -4.649 -5.998 1.00 0.00 C ATOM 618 CE LYS A 36 -11.482 -5.981 -6.767 1.00 0.00 C ATOM 619 NZ LYS A 36 -12.819 -6.422 -7.244 1.00 0.00 N ATOM 0 H LYS A 36 -8.372 -6.365 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.646 -5.027 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.898 -6.062 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.084 -4.677 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.181 -3.138 -5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.457 -4.271 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.186 -4.762 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.000 -3.884 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.812 -5.874 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.057 -6.750 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.725 -7.323 -7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.453 -6.551 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.215 -5.702 -7.881 1.00 0.00 H new ATOM 633 N ILE A 37 -7.530 -3.347 -2.448 1.00 0.00 N ATOM 634 CA ILE A 37 -6.775 -2.246 -1.829 1.00 0.00 C ATOM 635 C ILE A 37 -5.289 -2.376 -2.192 1.00 0.00 C ATOM 636 O ILE A 37 -4.730 -1.421 -2.711 1.00 0.00 O ATOM 637 CB ILE A 37 -6.981 -2.233 -0.294 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.453 -2.017 0.104 1.00 0.00 C ATOM 639 CG2 ILE A 37 -6.053 -1.196 0.369 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.749 -2.014 1.610 1.00 0.00 C ATOM 0 H ILE A 37 -7.996 -3.951 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.146 -1.296 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.710 -3.221 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.786 -1.067 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.053 -2.798 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.212 -1.202 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.014 -1.447 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.275 -0.204 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.815 -1.854 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.457 -2.972 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.185 -1.214 2.090 1.00 0.00 H new ATOM 652 N LEU A 38 -4.641 -3.533 -1.999 1.00 0.00 N ATOM 653 CA LEU A 38 -3.226 -3.725 -2.361 1.00 0.00 C ATOM 654 C LEU A 38 -2.918 -3.321 -3.816 1.00 0.00 C ATOM 655 O LEU A 38 -1.917 -2.650 -4.067 1.00 0.00 O ATOM 656 CB LEU A 38 -2.805 -5.180 -2.075 1.00 0.00 C ATOM 657 CG LEU A 38 -2.370 -5.415 -0.616 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.499 -6.888 -0.231 1.00 0.00 C ATOM 659 CD2 LEU A 38 -0.903 -5.020 -0.430 1.00 0.00 C ATOM 0 H LEU A 38 -5.078 -4.359 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.634 -3.055 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.637 -5.844 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.984 -5.450 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.020 -4.807 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.185 -7.022 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.537 -7.203 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.867 -7.491 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.609 -5.191 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.278 -5.622 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.777 -3.965 -0.674 1.00 0.00 H new ATOM 671 N GLU A 39 -3.797 -3.656 -4.765 1.00 0.00 N ATOM 672 CA GLU A 39 -3.656 -3.248 -6.169 1.00 0.00 C ATOM 673 C GLU A 39 -3.851 -1.740 -6.398 1.00 0.00 C ATOM 674 O GLU A 39 -3.070 -1.120 -7.122 1.00 0.00 O ATOM 675 CB GLU A 39 -4.616 -4.087 -7.032 1.00 0.00 C ATOM 676 CG GLU A 39 -4.436 -3.859 -8.539 1.00 0.00 C ATOM 677 CD GLU A 39 -5.326 -4.818 -9.355 1.00 0.00 C ATOM 678 OE1 GLU A 39 -6.494 -4.467 -9.656 1.00 0.00 O ATOM 679 OE2 GLU A 39 -4.860 -5.926 -9.718 1.00 0.00 O ATOM 0 H GLU A 39 -4.628 -4.219 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.626 -3.440 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.463 -5.143 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.643 -3.849 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.685 -2.827 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.391 -4.008 -8.810 1.00 0.00 H new ATOM 686 N ASP A 40 -4.833 -1.124 -5.743 1.00 0.00 N ATOM 687 CA ASP A 40 -5.036 0.319 -5.723 1.00 0.00 C ATOM 688 C ASP A 40 -3.844 1.068 -5.101 1.00 0.00 C ATOM 689 O ASP A 40 -3.439 2.118 -5.593 1.00 0.00 O ATOM 690 CB ASP A 40 -6.301 0.572 -4.895 1.00 0.00 C ATOM 691 CG ASP A 40 -7.626 0.530 -5.674 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.654 0.262 -6.899 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.660 0.781 -5.013 1.00 0.00 O ATOM 0 H ASP A 40 -5.528 -1.632 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.133 0.690 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.346 -0.170 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.212 1.548 -4.418 1.00 0.00 H new ATOM 698 N GLU A 41 -3.249 0.532 -4.034 1.00 0.00 N ATOM 699 CA GLU A 41 -2.152 1.198 -3.318 1.00 0.00 C ATOM 700 C GLU A 41 -0.825 1.062 -4.084 1.00 0.00 C ATOM 701 O GLU A 41 -0.029 2.001 -4.124 1.00 0.00 O ATOM 702 CB GLU A 41 -2.005 0.651 -1.890 1.00 0.00 C ATOM 703 CG GLU A 41 -3.196 0.861 -0.926 1.00 0.00 C ATOM 704 CD GLU A 41 -3.534 2.294 -0.530 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.926 3.273 -1.027 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.492 2.485 0.263 1.00 0.00 O ATOM 0 H GLU A 41 -3.510 -0.372 -3.641 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.402 2.257 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.809 -0.419 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.123 1.109 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.082 0.420 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.995 0.298 -0.014 1.00 0.00 H new ATOM 713 N GLU A 42 -0.606 -0.059 -4.779 1.00 0.00 N ATOM 714 CA GLU A 42 0.479 -0.203 -5.758 1.00 0.00 C ATOM 715 C GLU A 42 0.349 0.815 -6.910 1.00 0.00 C ATOM 716 O GLU A 42 1.352 1.383 -7.354 1.00 0.00 O ATOM 717 CB GLU A 42 0.505 -1.650 -6.278 1.00 0.00 C ATOM 718 CG GLU A 42 1.707 -1.931 -7.188 1.00 0.00 C ATOM 719 CD GLU A 42 1.768 -3.422 -7.572 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.148 -3.819 -8.589 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.447 -4.208 -6.866 1.00 0.00 O ATOM 0 H GLU A 42 -1.179 -0.897 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 42 1.428 0.012 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.528 -2.336 -5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.415 -1.851 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.637 -1.322 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.628 -1.644 -6.680 1.00 0.00 H new ATOM 728 N LYS A 43 -0.885 1.110 -7.345 1.00 0.00 N ATOM 729 CA LYS A 43 -1.180 2.160 -8.332 1.00 0.00 C ATOM 730 C LYS A 43 -0.734 3.545 -7.847 1.00 0.00 C ATOM 731 O LYS A 43 -0.105 4.277 -8.606 1.00 0.00 O ATOM 732 CB LYS A 43 -2.679 2.152 -8.698 1.00 0.00 C ATOM 733 CG LYS A 43 -2.933 2.350 -10.199 1.00 0.00 C ATOM 734 CD LYS A 43 -2.672 1.066 -11.004 1.00 0.00 C ATOM 735 CE LYS A 43 -2.997 1.291 -12.486 1.00 0.00 C ATOM 736 NZ LYS A 43 -2.865 0.036 -13.274 1.00 0.00 N ATOM 0 H LYS A 43 -1.717 0.620 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.605 1.939 -9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.119 1.206 -8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.187 2.940 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.963 2.671 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.292 3.148 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.630 0.766 -10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.281 0.252 -10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.012 1.676 -12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.329 2.049 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.092 0.226 -14.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.890 -0.318 -13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.521 -0.679 -12.900 1.00 0.00 H new ATOM 750 N HIS A 44 -0.976 3.896 -6.579 1.00 0.00 N ATOM 751 CA HIS A 44 -0.544 5.142 -5.980 1.00 0.00 C ATOM 752 C HIS A 44 0.979 5.257 -5.956 1.00 0.00 C ATOM 753 O HIS A 44 1.514 6.299 -6.326 1.00 0.00 O ATOM 754 CB HIS A 44 -1.127 5.187 -4.564 1.00 0.00 C ATOM 755 CG HIS A 44 -2.631 5.119 -4.443 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.362 4.983 -3.245 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.497 5.161 -5.495 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.654 4.907 -3.647 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.749 4.997 -4.980 1.00 0.00 N ATOM 0 H HIS A 44 -1.492 3.299 -5.933 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.900 5.987 -6.569 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.703 4.359 -3.996 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.789 6.107 -4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.241 5.298 -6.535 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.496 4.789 -2.981 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.613 4.951 -5.520 1.00 0.00 H new ATOM 767 N ILE A 45 1.678 4.178 -5.587 1.00 0.00 N ATOM 768 CA ILE A 45 3.145 4.094 -5.614 1.00 0.00 C ATOM 769 C ILE A 45 3.716 4.328 -7.025 1.00 0.00 C ATOM 770 O ILE A 45 4.694 5.061 -7.153 1.00 0.00 O ATOM 771 CB ILE A 45 3.604 2.761 -4.960 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.953 2.972 -3.470 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.820 2.114 -5.649 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.769 3.326 -2.563 1.00 0.00 C ATOM 0 H ILE A 45 1.233 3.322 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 45 3.561 4.906 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 45 2.756 2.085 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.420 2.063 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.696 3.767 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.080 1.189 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.576 1.896 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.667 2.799 -5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.120 3.453 -1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.311 4.253 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.032 2.524 -2.597 1.00 0.00 H new ATOM 786 N GLU A 46 3.103 3.796 -8.090 1.00 0.00 N ATOM 787 CA GLU A 46 3.516 4.085 -9.474 1.00 0.00 C ATOM 788 C GLU A 46 3.463 5.584 -9.809 1.00 0.00 C ATOM 789 O GLU A 46 4.392 6.128 -10.413 1.00 0.00 O ATOM 790 CB GLU A 46 2.639 3.298 -10.467 1.00 0.00 C ATOM 791 CG GLU A 46 3.210 1.928 -10.841 1.00 0.00 C ATOM 792 CD GLU A 46 4.427 2.049 -11.781 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.235 2.203 -13.012 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.583 1.975 -11.299 1.00 0.00 O ATOM 0 H GLU A 46 2.311 3.157 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 46 4.555 3.769 -9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.648 3.163 -10.034 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.513 3.889 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.502 1.397 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.436 1.332 -11.324 1.00 0.00 H new ATOM 801 N TRP A 47 2.398 6.270 -9.393 1.00 0.00 N ATOM 802 CA TRP A 47 2.211 7.696 -9.637 1.00 0.00 C ATOM 803 C TRP A 47 3.159 8.545 -8.783 1.00 0.00 C ATOM 804 O TRP A 47 3.777 9.481 -9.283 1.00 0.00 O ATOM 805 CB TRP A 47 0.752 8.056 -9.330 1.00 0.00 C ATOM 806 CG TRP A 47 -0.342 7.223 -9.939 1.00 0.00 C ATOM 807 CD1 TRP A 47 -0.253 6.418 -11.024 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.713 7.074 -9.459 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.472 5.803 -11.253 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.411 6.170 -10.312 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.428 7.603 -8.367 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.754 5.821 -10.097 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.774 7.259 -8.134 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.438 6.369 -8.997 1.00 0.00 C ATOM 0 H TRP A 47 1.633 5.843 -8.871 1.00 0.00 H new ATOM 0 HA TRP A 47 2.442 7.909 -10.681 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.625 8.027 -8.248 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.594 9.088 -9.642 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.636 6.277 -11.621 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.653 5.158 -12.022 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.934 8.287 -7.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.256 5.140 -10.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.298 7.681 -7.289 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.470 6.107 -8.816 1.00 0.00 H new ATOM 825 N LEU A 48 3.330 8.179 -7.511 1.00 0.00 N ATOM 826 CA LEU A 48 4.293 8.765 -6.577 1.00 0.00 C ATOM 827 C LEU A 48 5.733 8.699 -7.110 1.00 0.00 C ATOM 828 O LEU A 48 6.458 9.692 -7.055 1.00 0.00 O ATOM 829 CB LEU A 48 4.144 8.008 -5.244 1.00 0.00 C ATOM 830 CG LEU A 48 2.976 8.504 -4.379 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.644 7.465 -3.311 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.326 9.808 -3.656 1.00 0.00 C ATOM 0 H LEU A 48 2.778 7.434 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 48 4.086 9.827 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.005 6.947 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.070 8.103 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 48 2.130 8.671 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.815 7.823 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.364 6.527 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.516 7.302 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.476 10.129 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.188 9.645 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.563 10.579 -4.390 1.00 0.00 H new ATOM 844 N GLU A 49 6.128 7.564 -7.687 1.00 0.00 N ATOM 845 CA GLU A 49 7.423 7.402 -8.368 1.00 0.00 C ATOM 846 C GLU A 49 7.519 8.255 -9.643 1.00 0.00 C ATOM 847 O GLU A 49 8.542 8.899 -9.876 1.00 0.00 O ATOM 848 CB GLU A 49 7.669 5.917 -8.699 1.00 0.00 C ATOM 849 CG GLU A 49 9.101 5.447 -8.404 1.00 0.00 C ATOM 850 CD GLU A 49 10.165 6.093 -9.314 1.00 0.00 C ATOM 851 OE1 GLU A 49 10.169 5.822 -10.540 1.00 0.00 O ATOM 852 OE2 GLU A 49 11.036 6.833 -8.795 1.00 0.00 O ATOM 0 H GLU A 49 5.556 6.720 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 49 8.196 7.753 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.971 5.306 -8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.451 5.748 -9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.340 5.671 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.149 4.364 -8.516 1.00 0.00 H new ATOM 859 N THR A 50 6.448 8.334 -10.443 1.00 0.00 N ATOM 860 CA THR A 50 6.372 9.204 -11.622 1.00 0.00 C ATOM 861 C THR A 50 6.509 10.694 -11.271 1.00 0.00 C ATOM 862 O THR A 50 7.071 11.473 -12.045 1.00 0.00 O ATOM 863 CB THR A 50 5.056 8.919 -12.365 1.00 0.00 C ATOM 864 OG1 THR A 50 4.994 7.566 -12.772 1.00 0.00 O ATOM 865 CG2 THR A 50 4.908 9.738 -13.635 1.00 0.00 C ATOM 0 H THR A 50 5.600 7.789 -10.287 1.00 0.00 H new ATOM 0 HA THR A 50 7.218 8.978 -12.271 1.00 0.00 H new ATOM 0 HB THR A 50 4.267 9.175 -11.657 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.804 6.999 -11.995 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.961 9.495 -14.117 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.927 10.799 -13.388 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.730 9.509 -14.314 1.00 0.00 H new ATOM 873 N ILE A 51 6.043 11.086 -10.083 1.00 0.00 N ATOM 874 CA ILE A 51 6.099 12.459 -9.552 1.00 0.00 C ATOM 875 C ILE A 51 7.441 12.808 -8.882 1.00 0.00 C ATOM 876 O ILE A 51 7.799 13.983 -8.766 1.00 0.00 O ATOM 877 CB ILE A 51 4.842 12.718 -8.668 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.730 13.428 -9.472 1.00 0.00 C ATOM 879 CG2 ILE A 51 5.075 13.556 -7.408 1.00 0.00 C ATOM 880 CD1 ILE A 51 3.153 12.580 -10.605 1.00 0.00 C ATOM 0 H ILE A 51 5.598 10.434 -9.436 1.00 0.00 H new ATOM 0 HA ILE A 51 6.064 13.160 -10.386 1.00 0.00 H new ATOM 0 HB ILE A 51 4.557 11.715 -8.352 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.925 13.707 -8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.130 14.352 -9.889 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.134 13.673 -6.870 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.800 13.055 -6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.457 14.537 -7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.378 13.145 -11.124 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.946 12.323 -11.307 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.722 11.667 -10.193 1.00 0.00 H new ATOM 892 N ASN A 52 8.215 11.797 -8.498 1.00 0.00 N ATOM 893 CA ASN A 52 9.551 11.951 -7.908 1.00 0.00 C ATOM 894 C ASN A 52 10.572 12.501 -8.935 1.00 0.00 C ATOM 895 O ASN A 52 10.566 12.110 -10.107 1.00 0.00 O ATOM 896 CB ASN A 52 9.980 10.595 -7.307 1.00 0.00 C ATOM 897 CG ASN A 52 11.112 10.685 -6.292 1.00 0.00 C ATOM 898 OD1 ASN A 52 11.737 11.714 -6.077 1.00 0.00 O ATOM 899 ND2 ASN A 52 11.396 9.603 -5.603 1.00 0.00 N ATOM 0 H ASN A 52 7.928 10.822 -8.589 1.00 0.00 H new ATOM 0 HA ASN A 52 9.519 12.693 -7.110 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.116 10.134 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.287 9.933 -8.117 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.132 9.627 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.881 8.739 -5.774 1.00 0.00 H new ATOM 906 N GLY A 53 11.458 13.405 -8.495 1.00 0.00 N ATOM 907 CA GLY A 53 12.469 14.080 -9.326 1.00 0.00 C ATOM 908 C GLY A 53 13.309 15.090 -8.543 1.00 0.00 C ATOM 909 O GLY A 53 12.719 16.003 -7.923 1.00 0.00 O ATOM 910 OXT GLY A 53 14.553 14.965 -8.559 1.00 0.00 O ATOM 0 H GLY A 53 11.493 13.697 -7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.128 13.332 -9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.971 14.591 -10.150 1.00 0.00 H new TER 914 GLY A 53 ATOM 915 N MET B 1 -8.808 -10.151 17.224 1.00 0.00 N ATOM 916 CA MET B 1 -7.735 -9.694 16.300 1.00 0.00 C ATOM 917 C MET B 1 -7.914 -8.205 15.970 1.00 0.00 C ATOM 918 O MET B 1 -9.028 -7.686 16.043 1.00 0.00 O ATOM 919 CB MET B 1 -7.675 -10.526 15.001 1.00 0.00 C ATOM 920 CG MET B 1 -7.302 -12.008 15.169 1.00 0.00 C ATOM 921 SD MET B 1 -8.614 -13.091 15.804 1.00 0.00 S ATOM 922 CE MET B 1 -7.850 -14.708 15.492 1.00 0.00 C ATOM 0 H1 MET B 1 -9.054 -11.138 17.009 1.00 0.00 H new ATOM 0 H2 MET B 1 -8.472 -10.083 18.206 1.00 0.00 H new ATOM 0 H3 MET B 1 -9.649 -9.551 17.103 1.00 0.00 H new ATOM 0 HA MET B 1 -6.787 -9.841 16.817 1.00 0.00 H new ATOM 0 HB2 MET B 1 -8.647 -10.469 14.511 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.952 -10.063 14.329 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.977 -12.392 14.202 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.447 -12.073 15.842 1.00 0.00 H new ATOM 0 HE1 MET B 1 -8.523 -15.499 15.824 1.00 0.00 H new ATOM 0 HE2 MET B 1 -7.657 -14.820 14.425 1.00 0.00 H new ATOM 0 HE3 MET B 1 -6.910 -14.778 16.040 1.00 0.00 H new ATOM 934 N ASP B 2 -6.833 -7.503 15.604 1.00 0.00 N ATOM 935 CA ASP B 2 -6.762 -6.027 15.571 1.00 0.00 C ATOM 936 C ASP B 2 -6.063 -5.502 14.289 1.00 0.00 C ATOM 937 O ASP B 2 -4.928 -5.023 14.313 1.00 0.00 O ATOM 938 CB ASP B 2 -6.097 -5.522 16.869 1.00 0.00 C ATOM 939 CG ASP B 2 -6.956 -5.768 18.124 1.00 0.00 C ATOM 940 OD1 ASP B 2 -6.925 -6.894 18.678 1.00 0.00 O ATOM 941 OD2 ASP B 2 -7.644 -4.819 18.573 1.00 0.00 O ATOM 0 H ASP B 2 -5.963 -7.950 15.316 1.00 0.00 H new ATOM 0 HA ASP B 2 -7.773 -5.623 15.526 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -5.134 -6.017 16.993 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -5.897 -4.454 16.776 1.00 0.00 H new ATOM 946 N TYR B 3 -6.749 -5.630 13.146 1.00 0.00 N ATOM 947 CA TYR B 3 -6.278 -5.326 11.775 1.00 0.00 C ATOM 948 C TYR B 3 -7.429 -4.745 10.929 1.00 0.00 C ATOM 949 O TYR B 3 -7.752 -5.186 9.824 1.00 0.00 O ATOM 950 CB TYR B 3 -5.554 -6.558 11.192 1.00 0.00 C ATOM 951 CG TYR B 3 -6.425 -7.754 10.838 1.00 0.00 C ATOM 952 CD1 TYR B 3 -7.094 -8.486 11.838 1.00 0.00 C ATOM 953 CD2 TYR B 3 -6.567 -8.131 9.490 1.00 0.00 C ATOM 954 CE1 TYR B 3 -7.947 -9.553 11.490 1.00 0.00 C ATOM 955 CE2 TYR B 3 -7.421 -9.192 9.143 1.00 0.00 C ATOM 956 CZ TYR B 3 -8.123 -9.900 10.136 1.00 0.00 C ATOM 957 OH TYR B 3 -8.959 -10.913 9.778 1.00 0.00 O ATOM 0 H TYR B 3 -7.711 -5.970 13.147 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.527 -4.536 11.776 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.021 -6.247 10.294 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -4.803 -6.884 11.911 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -6.953 -8.228 12.877 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.020 -7.605 8.722 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -8.465 -10.104 12.261 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.539 -9.466 8.105 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.956 -11.010 8.803 1.00 0.00 H new ATOM 967 N LEU B 4 -8.042 -3.705 11.506 1.00 0.00 N ATOM 968 CA LEU B 4 -9.104 -2.864 10.939 1.00 0.00 C ATOM 969 C LEU B 4 -8.907 -1.399 11.365 1.00 0.00 C ATOM 970 O LEU B 4 -8.364 -0.627 10.582 1.00 0.00 O ATOM 971 CB LEU B 4 -10.488 -3.474 11.274 1.00 0.00 C ATOM 972 CG LEU B 4 -10.739 -3.825 12.758 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.726 -2.882 13.454 1.00 0.00 C ATOM 974 CD2 LEU B 4 -11.268 -5.252 12.912 1.00 0.00 C ATOM 0 H LEU B 4 -7.791 -3.407 12.449 1.00 0.00 H new ATOM 0 HA LEU B 4 -9.052 -2.847 9.850 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -11.258 -2.773 10.953 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -10.615 -4.380 10.682 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.765 -3.719 13.235 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.853 -3.190 14.492 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -11.340 -1.863 13.422 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -12.688 -2.921 12.944 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.434 -5.467 13.968 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -12.208 -5.352 12.369 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.540 -5.956 12.509 1.00 0.00 H new ATOM 986 N ARG B 5 -9.201 -1.009 12.615 1.00 0.00 N ATOM 987 CA ARG B 5 -9.022 0.384 13.087 1.00 0.00 C ATOM 988 C ARG B 5 -7.570 0.868 13.034 1.00 0.00 C ATOM 989 O ARG B 5 -7.316 2.051 12.823 1.00 0.00 O ATOM 990 CB ARG B 5 -9.712 0.595 14.452 1.00 0.00 C ATOM 991 CG ARG B 5 -9.123 -0.103 15.696 1.00 0.00 C ATOM 992 CD ARG B 5 -7.919 0.628 16.321 1.00 0.00 C ATOM 993 NE ARG B 5 -7.910 0.509 17.797 1.00 0.00 N ATOM 994 CZ ARG B 5 -7.467 -0.493 18.538 1.00 0.00 C ATOM 995 NH1 ARG B 5 -6.890 -1.541 18.024 1.00 0.00 N ATOM 996 NH2 ARG B 5 -7.605 -0.460 19.832 1.00 0.00 N ATOM 0 H ARG B 5 -9.567 -1.641 13.327 1.00 0.00 H new ATOM 0 HA ARG B 5 -9.531 1.036 12.377 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -9.729 1.666 14.651 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -10.748 0.273 14.352 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -9.905 -0.200 16.449 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -8.818 -1.113 15.422 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -6.994 0.216 15.917 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -7.948 1.681 16.041 1.00 0.00 H new ATOM 0 HE ARG B 5 -8.295 1.303 18.309 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -6.766 -1.611 17.014 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -6.562 -2.292 18.631 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -8.056 0.340 20.277 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -7.263 -1.234 20.401 1.00 0.00 H new ATOM 1010 N GLU B 6 -6.619 -0.061 13.142 1.00 0.00 N ATOM 1011 CA GLU B 6 -5.185 0.192 12.946 1.00 0.00 C ATOM 1012 C GLU B 6 -4.809 0.484 11.488 1.00 0.00 C ATOM 1013 O GLU B 6 -3.920 1.292 11.228 1.00 0.00 O ATOM 1014 CB GLU B 6 -4.393 -1.029 13.466 1.00 0.00 C ATOM 1015 CG GLU B 6 -3.000 -0.605 13.961 1.00 0.00 C ATOM 1016 CD GLU B 6 -2.356 -1.678 14.862 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -2.694 -1.734 16.072 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.484 -2.443 14.385 1.00 0.00 O ATOM 0 H GLU B 6 -6.826 -1.033 13.373 1.00 0.00 H new ATOM 0 HA GLU B 6 -4.930 1.092 13.506 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -4.943 -1.506 14.277 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -4.292 -1.768 12.671 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -2.353 -0.415 13.104 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -3.081 0.331 14.513 1.00 0.00 H new ATOM 1025 N LEU B 7 -5.506 -0.143 10.535 1.00 0.00 N ATOM 1026 CA LEU B 7 -5.251 0.026 9.102 1.00 0.00 C ATOM 1027 C LEU B 7 -5.833 1.364 8.622 1.00 0.00 C ATOM 1028 O LEU B 7 -5.130 2.179 8.027 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.865 -1.155 8.317 1.00 0.00 C ATOM 1030 CG LEU B 7 -5.602 -2.573 8.840 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -5.955 -3.590 7.756 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -4.180 -2.852 9.292 1.00 0.00 C ATOM 0 H LEU B 7 -6.270 -0.788 10.739 1.00 0.00 H new ATOM 0 HA LEU B 7 -4.176 0.036 8.924 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.944 -1.007 8.278 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.499 -1.103 7.292 1.00 0.00 H new ATOM 0 HG LEU B 7 -6.231 -2.661 9.726 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.768 -4.598 8.128 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -7.008 -3.490 7.492 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -5.341 -3.409 6.874 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.105 -3.881 9.642 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.497 -2.702 8.456 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -3.916 -2.173 10.103 1.00 0.00 H new ATOM 1044 N TYR B 8 -7.103 1.600 8.967 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.943 2.770 8.662 1.00 0.00 C ATOM 1046 C TYR B 8 -7.267 4.097 8.975 1.00 0.00 C ATOM 1047 O TYR B 8 -7.346 5.033 8.187 1.00 0.00 O ATOM 1048 CB TYR B 8 -9.198 2.625 9.563 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.550 3.148 9.108 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.687 4.361 8.406 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.705 2.435 9.493 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.968 4.853 8.086 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.984 2.914 9.158 1.00 0.00 C ATOM 1054 CZ TYR B 8 -13.122 4.129 8.457 1.00 0.00 C ATOM 1055 OH TYR B 8 -14.361 4.611 8.171 1.00 0.00 O ATOM 0 H TYR B 8 -7.620 0.915 9.518 1.00 0.00 H new ATOM 0 HA TYR B 8 -8.164 2.787 7.595 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -9.320 1.562 9.772 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.969 3.112 10.511 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.808 4.916 8.112 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.606 1.514 10.049 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -12.068 5.788 7.555 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.862 2.350 9.438 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.287 5.331 7.510 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.614 4.192 10.132 1.00 0.00 N ATOM 1066 CA LYS B 9 -6.104 5.470 10.637 1.00 0.00 C ATOM 1067 C LYS B 9 -4.903 5.985 9.852 1.00 0.00 C ATOM 1068 O LYS B 9 -4.907 7.134 9.425 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.885 5.379 12.161 1.00 0.00 C ATOM 1070 CG LYS B 9 -6.409 6.657 12.836 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.600 6.495 14.347 1.00 0.00 C ATOM 1072 CE LYS B 9 -5.272 6.498 15.116 1.00 0.00 C ATOM 1073 NZ LYS B 9 -5.497 6.489 16.587 1.00 0.00 N ATOM 0 H LYS B 9 -6.424 3.396 10.741 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.858 6.239 10.470 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -6.402 4.507 12.561 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.825 5.249 12.379 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -5.712 7.474 12.648 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -7.359 6.938 12.382 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -7.232 7.302 14.718 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -7.127 5.562 14.544 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -4.683 5.626 14.831 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -4.692 7.379 14.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -4.580 6.491 17.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -6.039 7.334 16.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -6.029 5.636 16.852 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.933 5.126 9.556 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.851 5.392 8.620 1.00 0.00 C ATOM 1089 C LEU B 10 -3.323 5.490 7.155 1.00 0.00 C ATOM 1090 O LEU B 10 -2.827 6.335 6.410 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.726 4.365 8.834 1.00 0.00 C ATOM 1092 CG LEU B 10 -1.061 4.564 10.215 1.00 0.00 C ATOM 1093 CD1 LEU B 10 -1.614 3.655 11.312 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.451 4.350 10.121 1.00 0.00 C ATOM 0 H LEU B 10 -3.878 4.198 9.975 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.450 6.383 8.831 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.130 3.355 8.761 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.979 4.467 8.047 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.294 5.591 10.497 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.094 3.858 12.249 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.680 3.846 11.440 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.463 2.613 11.031 1.00 0.00 H new ATOM 0 HD21 LEU B 10 0.901 4.495 11.103 1.00 0.00 H new ATOM 0 HD22 LEU B 10 0.654 3.337 9.774 1.00 0.00 H new ATOM 0 HD23 LEU B 10 0.877 5.066 9.418 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.348 4.728 6.758 1.00 0.00 N ATOM 1107 CA GLU B 11 -5.115 4.956 5.520 1.00 0.00 C ATOM 1108 C GLU B 11 -5.713 6.380 5.448 1.00 0.00 C ATOM 1109 O GLU B 11 -5.660 7.013 4.392 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.178 3.836 5.394 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.721 2.650 4.525 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.755 2.901 3.010 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -5.246 3.849 2.388 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.224 2.135 2.152 1.00 0.00 O ATOM 0 H GLU B 11 -4.676 3.923 7.292 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.447 4.904 4.660 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.429 3.471 6.390 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -7.089 4.257 4.970 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.704 2.381 4.810 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.353 1.791 4.749 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.190 6.948 6.565 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.668 8.324 6.644 1.00 0.00 C ATOM 1123 C GLN B 12 -5.582 9.381 6.849 1.00 0.00 C ATOM 1124 O GLN B 12 -5.801 10.532 6.485 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.746 8.440 7.720 1.00 0.00 C ATOM 1126 CG GLN B 12 -9.060 7.860 7.194 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.213 8.053 8.179 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -10.116 7.772 9.367 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.347 8.556 7.735 1.00 0.00 N ATOM 0 H GLN B 12 -6.253 6.449 7.452 1.00 0.00 H new ATOM 0 HA GLN B 12 -7.084 8.545 5.661 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.436 7.907 8.619 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.884 9.484 8.000 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.311 8.336 6.246 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.931 6.797 6.993 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.447 8.796 6.749 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.125 8.705 8.378 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.402 9.022 7.349 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.257 9.942 7.432 1.00 0.00 C ATOM 1140 C GLN B 13 -2.777 10.384 6.047 1.00 0.00 C ATOM 1141 O GLN B 13 -2.440 11.555 5.876 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.089 9.324 8.221 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.269 9.421 9.744 1.00 0.00 C ATOM 1144 CD GLN B 13 -2.097 10.853 10.252 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -3.053 11.577 10.497 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -0.878 11.326 10.416 1.00 0.00 N ATOM 0 H GLN B 13 -4.207 8.088 7.709 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.608 10.824 7.968 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -1.983 8.276 7.940 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.163 9.825 7.938 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.260 9.057 10.016 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -1.545 8.772 10.237 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -0.071 10.735 10.216 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -0.742 12.283 10.743 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.818 9.502 5.040 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.562 9.892 3.655 1.00 0.00 C ATOM 1157 C ALA B 14 -3.674 10.821 3.147 1.00 0.00 C ATOM 1158 O ALA B 14 -3.384 11.840 2.538 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.435 8.622 2.802 1.00 0.00 C ATOM 0 H ALA B 14 -3.027 8.511 5.163 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.629 10.451 3.585 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.244 8.898 1.765 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.610 8.015 3.174 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.361 8.050 2.860 1.00 0.00 H new ATOM 1165 N MET B 15 -4.940 10.534 3.460 1.00 0.00 N ATOM 1166 CA MET B 15 -6.096 11.385 3.106 1.00 0.00 C ATOM 1167 C MET B 15 -6.045 12.782 3.769 1.00 0.00 C ATOM 1168 O MET B 15 -6.331 13.780 3.112 1.00 0.00 O ATOM 1169 CB MET B 15 -7.395 10.621 3.450 1.00 0.00 C ATOM 1170 CG MET B 15 -8.238 10.242 2.222 1.00 0.00 C ATOM 1171 SD MET B 15 -9.797 11.151 2.009 1.00 0.00 S ATOM 1172 CE MET B 15 -9.219 12.863 2.149 1.00 0.00 C ATOM 0 H MET B 15 -5.203 9.693 3.974 1.00 0.00 H new ATOM 0 HA MET B 15 -6.065 11.586 2.035 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.137 9.713 3.996 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.999 11.234 4.118 1.00 0.00 H new ATOM 0 HG2 MET B 15 -7.630 10.391 1.330 1.00 0.00 H new ATOM 0 HG3 MET B 15 -8.467 9.178 2.278 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.953 13.533 1.700 1.00 0.00 H new ATOM 0 HE2 MET B 15 -9.090 13.119 3.201 1.00 0.00 H new ATOM 0 HE3 MET B 15 -8.266 12.969 1.630 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.609 12.890 5.031 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.331 14.160 5.731 1.00 0.00 C ATOM 1184 C LYS B 16 -4.179 14.937 5.094 1.00 0.00 C ATOM 1185 O LYS B 16 -4.284 16.148 4.902 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.012 13.866 7.209 1.00 0.00 C ATOM 1187 CG LYS B 16 -6.262 13.789 8.100 1.00 0.00 C ATOM 1188 CD LYS B 16 -6.773 15.189 8.482 1.00 0.00 C ATOM 1189 CE LYS B 16 -7.980 15.094 9.425 1.00 0.00 C ATOM 1190 NZ LYS B 16 -8.381 16.433 9.932 1.00 0.00 N ATOM 0 H LYS B 16 -5.433 12.072 5.615 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.221 14.785 5.652 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -4.469 12.923 7.275 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.350 14.643 7.591 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -7.048 13.244 7.578 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -6.031 13.226 9.004 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -5.974 15.753 8.963 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -7.052 15.737 7.582 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -8.818 14.636 8.900 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -7.737 14.443 10.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -9.199 16.333 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.588 16.858 10.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -8.636 17.045 9.131 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.109 14.239 4.711 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.031 14.786 3.888 1.00 0.00 C ATOM 1206 C LEU B 17 -2.568 15.312 2.548 1.00 0.00 C ATOM 1207 O LEU B 17 -2.291 16.449 2.180 1.00 0.00 O ATOM 1208 CB LEU B 17 -0.960 13.686 3.714 1.00 0.00 C ATOM 1209 CG LEU B 17 0.221 13.858 4.680 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.042 12.574 4.737 1.00 0.00 C ATOM 1211 CD2 LEU B 17 1.149 14.998 4.250 1.00 0.00 C ATOM 0 H LEU B 17 -2.965 13.262 4.968 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.575 15.647 4.377 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.417 12.710 3.874 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.592 13.701 2.688 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.199 14.093 5.658 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.877 12.706 5.425 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.412 11.755 5.084 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.424 12.342 3.743 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.971 15.086 4.960 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.548 14.788 3.258 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.589 15.933 4.226 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.404 14.530 1.864 1.00 0.00 N ATOM 1224 CA TYR B 18 -4.027 14.853 0.584 1.00 0.00 C ATOM 1225 C TYR B 18 -4.989 16.054 0.641 1.00 0.00 C ATOM 1226 O TYR B 18 -4.986 16.866 -0.287 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.704 13.578 0.043 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.782 12.623 -0.702 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.985 13.110 -1.752 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.715 11.253 -0.373 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -2.100 12.268 -2.436 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.771 10.416 -1.001 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.937 10.932 -2.018 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.973 10.164 -2.592 1.00 0.00 O ATOM 0 H TYR B 18 -3.677 13.609 2.206 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.248 15.181 -0.104 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -5.157 13.044 0.878 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.514 13.871 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.056 14.150 -2.036 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -4.390 10.844 0.364 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.543 12.642 -3.283 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.685 9.381 -0.705 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.988 9.269 -2.194 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.748 16.236 1.734 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.569 17.441 1.990 1.00 0.00 C ATOM 1246 C ARG B 19 -5.747 18.732 1.932 1.00 0.00 C ATOM 1247 O ARG B 19 -6.156 19.696 1.287 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.252 17.332 3.369 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.574 16.554 3.391 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.719 17.352 2.745 1.00 0.00 C ATOM 1251 NE ARG B 19 -11.039 16.880 3.212 1.00 0.00 N ATOM 1252 CZ ARG B 19 -12.165 17.573 3.228 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -12.257 18.768 2.711 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -13.237 17.076 3.774 1.00 0.00 N ATOM 0 H ARG B 19 -5.813 15.542 2.479 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.319 17.489 1.200 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -6.559 16.856 4.062 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.437 18.339 3.744 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -8.448 15.608 2.864 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.836 16.312 4.421 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -9.605 18.410 2.982 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -9.661 17.260 1.660 1.00 0.00 H new ATOM 0 HE ARG B 19 -11.086 15.921 3.557 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -11.442 19.199 2.275 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -13.144 19.271 2.743 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -13.212 16.146 4.193 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -14.102 17.616 3.783 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.587 18.749 2.585 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.714 19.932 2.665 1.00 0.00 C ATOM 1270 C GLU B 20 -2.824 20.090 1.432 1.00 0.00 C ATOM 1271 O GLU B 20 -2.638 21.198 0.925 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.832 19.812 3.917 1.00 0.00 C ATOM 1273 CG GLU B 20 -2.554 21.154 4.603 1.00 0.00 C ATOM 1274 CD GLU B 20 -3.787 21.668 5.375 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -4.629 22.384 4.780 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -3.918 21.368 6.587 1.00 0.00 O ATOM 0 H GLU B 20 -4.218 17.937 3.080 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.352 20.814 2.717 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.315 19.143 4.629 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.884 19.352 3.640 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.715 21.044 5.290 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -2.260 21.891 3.855 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.336 18.967 0.909 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.655 18.906 -0.377 1.00 0.00 C ATOM 1285 C ALA B 21 -2.520 19.521 -1.485 1.00 0.00 C ATOM 1286 O ALA B 21 -1.996 20.282 -2.286 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.259 17.462 -0.704 1.00 0.00 C ATOM 0 H ALA B 21 -2.405 18.063 1.375 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.741 19.497 -0.315 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.751 17.433 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.591 17.084 0.070 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -2.153 16.840 -0.746 1.00 0.00 H new ATOM 1293 N SER B 22 -3.839 19.291 -1.501 1.00 0.00 N ATOM 1294 CA SER B 22 -4.758 19.924 -2.461 1.00 0.00 C ATOM 1295 C SER B 22 -4.736 21.465 -2.428 1.00 0.00 C ATOM 1296 O SER B 22 -4.951 22.089 -3.470 1.00 0.00 O ATOM 1297 CB SER B 22 -6.182 19.394 -2.254 1.00 0.00 C ATOM 1298 OG SER B 22 -7.022 19.740 -3.345 1.00 0.00 O ATOM 0 H SER B 22 -4.302 18.659 -0.848 1.00 0.00 H new ATOM 0 HA SER B 22 -4.402 19.649 -3.454 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.157 18.310 -2.141 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.594 19.802 -1.331 1.00 0.00 H new ATOM 0 HG SER B 22 -7.923 19.389 -3.188 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.434 22.109 -1.289 1.00 0.00 N ATOM 1305 CA GLU B 23 -4.187 23.563 -1.260 1.00 0.00 C ATOM 1306 C GLU B 23 -2.805 23.917 -1.837 1.00 0.00 C ATOM 1307 O GLU B 23 -2.683 24.762 -2.727 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.305 24.073 0.183 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.381 25.604 0.253 1.00 0.00 C ATOM 1310 CD GLU B 23 -4.509 26.094 1.709 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -3.467 26.335 2.368 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -5.652 26.265 2.198 1.00 0.00 O ATOM 0 H GLU B 23 -4.355 21.651 -0.381 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.936 24.048 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -5.194 23.645 0.646 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.447 23.727 0.760 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -3.489 26.035 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -5.235 25.954 -0.327 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.759 23.236 -1.352 1.00 0.00 N ATOM 1320 CA LYS B 24 -0.353 23.448 -1.759 1.00 0.00 C ATOM 1321 C LYS B 24 -0.063 23.082 -3.229 1.00 0.00 C ATOM 1322 O LYS B 24 0.914 23.557 -3.807 1.00 0.00 O ATOM 1323 CB LYS B 24 0.563 22.661 -0.799 1.00 0.00 C ATOM 1324 CG LYS B 24 1.921 23.339 -0.536 1.00 0.00 C ATOM 1325 CD LYS B 24 1.810 24.531 0.429 1.00 0.00 C ATOM 1326 CE LYS B 24 3.202 25.092 0.746 1.00 0.00 C ATOM 1327 NZ LYS B 24 3.136 26.194 1.742 1.00 0.00 N ATOM 0 H LYS B 24 -1.863 22.504 -0.649 1.00 0.00 H new ATOM 0 HA LYS B 24 -0.150 24.517 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.046 22.525 0.151 1.00 0.00 H new ATOM 0 HB3 LYS B 24 0.738 21.668 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS B 24 2.615 22.606 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS B 24 2.342 23.680 -1.482 1.00 0.00 H new ATOM 0 HD2 LYS B 24 1.189 25.310 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS B 24 1.319 24.217 1.350 1.00 0.00 H new ATOM 0 HE2 LYS B 24 3.838 24.293 1.128 1.00 0.00 H new ATOM 0 HE3 LYS B 24 3.665 25.457 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 4.095 26.548 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 2.549 26.966 1.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 2.717 25.839 2.625 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.930 22.273 -3.839 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.810 21.670 -5.168 1.00 0.00 C ATOM 1343 C ALA B 25 -1.892 22.161 -6.147 1.00 0.00 C ATOM 1344 O ALA B 25 -2.284 21.430 -7.057 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.873 20.143 -5.022 1.00 0.00 C ATOM 0 H ALA B 25 -1.801 22.001 -3.383 1.00 0.00 H new ATOM 0 HA ALA B 25 0.146 21.976 -5.593 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -0.785 19.680 -6.005 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.055 19.804 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.824 19.860 -4.571 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.401 23.387 -5.959 1.00 0.00 N ATOM 1352 CA ARG B 26 -3.440 24.015 -6.800 1.00 0.00 C ATOM 1353 C ARG B 26 -3.176 24.009 -8.324 1.00 0.00 C ATOM 1354 O ARG B 26 -4.119 24.140 -9.104 1.00 0.00 O ATOM 1355 CB ARG B 26 -3.787 25.414 -6.243 1.00 0.00 C ATOM 1356 CG ARG B 26 -2.774 26.542 -6.525 1.00 0.00 C ATOM 1357 CD ARG B 26 -1.502 26.486 -5.663 1.00 0.00 C ATOM 1358 NE ARG B 26 -0.563 27.578 -6.000 1.00 0.00 N ATOM 1359 CZ ARG B 26 -0.596 28.832 -5.582 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -1.522 29.280 -4.781 1.00 0.00 N ATOM 1361 NH2 ARG B 26 0.316 29.675 -5.970 1.00 0.00 N ATOM 0 H ARG B 26 -2.094 23.990 -5.196 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.317 23.372 -6.725 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -4.752 25.713 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -3.910 25.329 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -2.488 26.502 -7.576 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -3.264 27.502 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -1.773 26.552 -4.609 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -1.008 25.525 -5.805 1.00 0.00 H new ATOM 0 HE ARG B 26 0.201 27.335 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -2.258 28.655 -4.453 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -1.510 30.255 -4.483 1.00 0.00 H new ATOM 0 HH21 ARG B 26 1.059 29.369 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG B 26 0.288 30.642 -5.646 1.00 0.00 H new ATOM 1375 N ASN B 27 -1.921 23.829 -8.750 1.00 0.00 N ATOM 1376 CA ASN B 27 -1.507 23.587 -10.141 1.00 0.00 C ATOM 1377 C ASN B 27 -2.157 22.303 -10.728 1.00 0.00 C ATOM 1378 O ASN B 27 -2.077 21.241 -10.100 1.00 0.00 O ATOM 1379 CB ASN B 27 0.033 23.513 -10.139 1.00 0.00 C ATOM 1380 CG ASN B 27 0.628 23.479 -11.537 1.00 0.00 C ATOM 1381 OD1 ASN B 27 0.516 24.421 -12.305 1.00 0.00 O ATOM 1382 ND2 ASN B 27 1.276 22.403 -11.918 1.00 0.00 N ATOM 0 H ASN B 27 -1.129 23.848 -8.108 1.00 0.00 H new ATOM 0 HA ASN B 27 -1.848 24.395 -10.789 1.00 0.00 H new ATOM 0 HB2 ASN B 27 0.432 24.373 -9.601 1.00 0.00 H new ATOM 0 HB3 ASN B 27 0.348 22.623 -9.594 1.00 0.00 H new ATOM 0 HD21 ASN B 27 1.683 22.357 -12.852 1.00 0.00 H new ATOM 0 HD22 ASN B 27 1.372 21.613 -11.280 1.00 0.00 H new ATOM 1389 N PRO B 28 -2.780 22.344 -11.927 1.00 0.00 N ATOM 1390 CA PRO B 28 -3.665 21.274 -12.401 1.00 0.00 C ATOM 1391 C PRO B 28 -2.952 19.946 -12.692 1.00 0.00 C ATOM 1392 O PRO B 28 -3.562 18.887 -12.543 1.00 0.00 O ATOM 1393 CB PRO B 28 -4.374 21.832 -13.639 1.00 0.00 C ATOM 1394 CG PRO B 28 -3.418 22.905 -14.154 1.00 0.00 C ATOM 1395 CD PRO B 28 -2.795 23.451 -12.871 1.00 0.00 C ATOM 0 HA PRO B 28 -4.371 21.008 -11.614 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.545 21.057 -14.386 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.348 22.252 -13.387 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -2.665 22.488 -14.823 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -3.944 23.681 -14.710 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -1.786 23.821 -13.054 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.375 24.288 -12.481 1.00 0.00 H new ATOM 1403 N GLU B 29 -1.660 19.973 -13.037 1.00 0.00 N ATOM 1404 CA GLU B 29 -0.841 18.763 -13.238 1.00 0.00 C ATOM 1405 C GLU B 29 -0.910 17.798 -12.046 1.00 0.00 C ATOM 1406 O GLU B 29 -1.137 16.597 -12.197 1.00 0.00 O ATOM 1407 CB GLU B 29 0.615 19.188 -13.484 1.00 0.00 C ATOM 1408 CG GLU B 29 1.489 18.043 -14.008 1.00 0.00 C ATOM 1409 CD GLU B 29 2.922 18.533 -14.288 1.00 0.00 C ATOM 1410 OE1 GLU B 29 3.757 18.546 -13.352 1.00 0.00 O ATOM 1411 OE2 GLU B 29 3.224 18.911 -15.447 1.00 0.00 O ATOM 0 H GLU B 29 -1.145 20.841 -13.187 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.239 18.227 -14.100 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.633 20.009 -14.200 1.00 0.00 H new ATOM 0 HB3 GLU B 29 1.040 19.567 -12.554 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.513 17.234 -13.278 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.054 17.636 -14.921 1.00 0.00 H new ATOM 1418 N LYS B 30 -0.757 18.365 -10.851 1.00 0.00 N ATOM 1419 CA LYS B 30 -0.839 17.695 -9.550 1.00 0.00 C ATOM 1420 C LYS B 30 -2.289 17.528 -9.100 1.00 0.00 C ATOM 1421 O LYS B 30 -2.664 16.427 -8.690 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.004 18.520 -8.549 1.00 0.00 C ATOM 1423 CG LYS B 30 0.782 17.717 -7.501 1.00 0.00 C ATOM 1424 CD LYS B 30 -0.032 16.784 -6.600 1.00 0.00 C ATOM 1425 CE LYS B 30 0.982 16.136 -5.650 1.00 0.00 C ATOM 1426 NZ LYS B 30 0.324 15.484 -4.491 1.00 0.00 N ATOM 0 H LYS B 30 -0.561 19.362 -10.757 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.436 16.684 -9.614 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.701 19.131 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.673 19.204 -8.026 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.531 17.120 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.320 18.421 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.790 17.338 -6.046 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.555 16.030 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS B 30 1.569 15.397 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.678 16.894 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 1.047 15.059 -3.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -0.215 16.193 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.321 14.742 -4.830 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.123 18.570 -9.236 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.544 18.548 -8.832 1.00 0.00 C ATOM 1442 C LYS B 31 -5.409 17.504 -9.557 1.00 0.00 C ATOM 1443 O LYS B 31 -6.430 17.085 -9.011 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.141 19.966 -8.852 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.420 20.040 -7.998 1.00 0.00 C ATOM 1446 CD LYS B 31 -6.769 21.476 -7.593 1.00 0.00 C ATOM 1447 CE LYS B 31 -8.065 21.471 -6.772 1.00 0.00 C ATOM 1448 NZ LYS B 31 -8.395 22.824 -6.254 1.00 0.00 N ATOM 0 H LYS B 31 -2.830 19.463 -9.633 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.559 18.198 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.407 20.679 -8.476 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.368 20.254 -9.878 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.252 19.610 -8.556 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.291 19.434 -7.101 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.957 21.909 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.890 22.097 -8.481 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.886 21.108 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.964 20.777 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.277 22.780 -5.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.623 23.160 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.516 23.481 -7.051 1.00 0.00 H new ATOM 1462 N SER B 32 -4.960 16.997 -10.704 1.00 0.00 N ATOM 1463 CA SER B 32 -5.598 15.893 -11.448 1.00 0.00 C ATOM 1464 C SER B 32 -4.847 14.552 -11.363 1.00 0.00 C ATOM 1465 O SER B 32 -5.241 13.581 -12.011 1.00 0.00 O ATOM 1466 CB SER B 32 -5.824 16.299 -12.911 1.00 0.00 C ATOM 1467 OG SER B 32 -6.680 17.433 -12.988 1.00 0.00 O ATOM 0 H SER B 32 -4.118 17.348 -11.161 1.00 0.00 H new ATOM 0 HA SER B 32 -6.557 15.718 -10.959 1.00 0.00 H new ATOM 0 HB2 SER B 32 -4.868 16.525 -13.383 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.263 15.467 -13.462 1.00 0.00 H new ATOM 0 HG SER B 32 -6.812 17.680 -13.927 1.00 0.00 H new ATOM 1473 N VAL B 33 -3.810 14.465 -10.520 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.093 13.218 -10.180 1.00 0.00 C ATOM 1475 C VAL B 33 -3.445 12.770 -8.763 1.00 0.00 C ATOM 1476 O VAL B 33 -3.839 11.614 -8.585 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.568 13.381 -10.366 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.740 12.267 -9.706 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.227 13.373 -11.860 1.00 0.00 C ATOM 0 H VAL B 33 -3.432 15.281 -10.039 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.416 12.437 -10.868 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.313 14.325 -9.885 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.320 12.450 -9.880 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.935 12.255 -8.634 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.017 11.304 -10.136 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.151 13.488 -11.988 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.546 12.429 -12.301 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -1.741 14.197 -12.355 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.407 13.660 -7.758 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.821 13.284 -6.403 1.00 0.00 C ATOM 1491 C LEU B 34 -5.327 12.950 -6.312 1.00 0.00 C ATOM 1492 O LEU B 34 -5.728 12.181 -5.443 1.00 0.00 O ATOM 1493 CB LEU B 34 -3.296 14.319 -5.380 1.00 0.00 C ATOM 1494 CG LEU B 34 -4.291 15.413 -5.002 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.865 16.280 -3.816 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.569 16.376 -6.142 1.00 0.00 C ATOM 0 H LEU B 34 -3.099 14.627 -7.858 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.351 12.339 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.996 13.792 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.400 14.788 -5.787 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.178 14.838 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.632 17.029 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.736 15.652 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.923 16.777 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.283 17.131 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.640 16.861 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.983 15.828 -6.988 1.00 0.00 H new ATOM 1508 N GLN B 35 -6.161 13.471 -7.226 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.605 13.206 -7.261 1.00 0.00 C ATOM 1510 C GLN B 35 -7.925 11.732 -7.569 1.00 0.00 C ATOM 1511 O GLN B 35 -8.857 11.163 -6.999 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.251 14.148 -8.292 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.771 14.255 -8.133 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.399 15.226 -9.139 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -10.103 15.226 -10.328 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.301 16.090 -8.715 1.00 0.00 N ATOM 0 H GLN B 35 -5.846 14.095 -7.969 1.00 0.00 H new ATOM 0 HA GLN B 35 -8.021 13.399 -6.272 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.810 15.140 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -8.020 13.792 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -10.217 13.268 -8.258 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -10.005 14.584 -7.121 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.565 16.110 -7.730 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -11.735 16.738 -9.372 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.122 11.085 -8.425 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.270 9.663 -8.781 1.00 0.00 C ATOM 1527 C LYS B 36 -6.964 8.741 -7.600 1.00 0.00 C ATOM 1528 O LYS B 36 -7.706 7.795 -7.340 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.336 9.347 -9.973 1.00 0.00 C ATOM 1530 CG LYS B 36 -7.002 8.583 -11.124 1.00 0.00 C ATOM 1531 CD LYS B 36 -7.813 9.519 -12.033 1.00 0.00 C ATOM 1532 CE LYS B 36 -8.287 8.762 -13.281 1.00 0.00 C ATOM 1533 NZ LYS B 36 -8.940 9.674 -14.257 1.00 0.00 N ATOM 0 H LYS B 36 -6.340 11.539 -8.897 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.308 9.482 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.935 10.283 -10.361 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -5.490 8.764 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -6.239 8.075 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -7.657 7.812 -10.718 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -8.672 9.913 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -7.202 10.373 -12.326 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -7.437 8.270 -13.754 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -8.987 7.979 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -9.248 9.130 -15.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -9.765 10.125 -13.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -8.264 10.406 -14.554 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.907 9.062 -6.850 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.578 8.411 -5.577 1.00 0.00 C ATOM 1549 C ILE B 37 -6.701 8.676 -4.571 1.00 0.00 C ATOM 1550 O ILE B 37 -7.199 7.727 -3.982 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.214 8.933 -5.060 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -3.056 8.609 -6.026 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.956 8.420 -3.634 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.682 9.183 -5.658 1.00 0.00 C ATOM 0 H ILE B 37 -5.245 9.792 -7.113 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.491 7.333 -5.716 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.261 10.021 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.965 7.525 -6.100 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.325 8.974 -7.017 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.995 8.793 -3.281 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.747 8.772 -2.972 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.943 7.330 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.951 8.888 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.741 10.271 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.376 8.799 -4.685 1.00 0.00 H new ATOM 1566 N LEU B 38 -7.175 9.916 -4.417 1.00 0.00 N ATOM 1567 CA LEU B 38 -8.288 10.232 -3.516 1.00 0.00 C ATOM 1568 C LEU B 38 -9.558 9.417 -3.803 1.00 0.00 C ATOM 1569 O LEU B 38 -10.188 8.948 -2.853 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.587 11.741 -3.552 1.00 0.00 C ATOM 1571 CG LEU B 38 -7.681 12.576 -2.633 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -7.889 14.065 -2.917 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -8.020 12.315 -1.163 1.00 0.00 C ATOM 0 H LEU B 38 -6.800 10.726 -4.911 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.969 9.947 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.479 12.099 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.626 11.903 -3.266 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.646 12.292 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.245 14.653 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.640 14.275 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.931 14.328 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.369 12.915 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -9.059 12.586 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.874 11.259 -0.938 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.921 9.182 -5.071 1.00 0.00 N ATOM 1586 CA GLU B 39 -11.085 8.340 -5.379 1.00 0.00 C ATOM 1587 C GLU B 39 -10.878 6.858 -5.038 1.00 0.00 C ATOM 1588 O GLU B 39 -11.819 6.176 -4.628 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.490 8.500 -6.853 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.188 9.839 -7.126 1.00 0.00 C ATOM 1591 CD GLU B 39 -12.607 9.952 -8.605 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -13.624 9.330 -9.001 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -11.936 10.675 -9.383 1.00 0.00 O ATOM 0 H GLU B 39 -9.436 9.555 -5.887 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.893 8.691 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.603 8.421 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -12.154 7.683 -7.135 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -13.066 9.932 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.519 10.661 -6.870 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.645 6.370 -5.138 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.236 5.054 -4.675 1.00 0.00 C ATOM 1602 C ASP B 40 -9.185 4.963 -3.135 1.00 0.00 C ATOM 1603 O ASP B 40 -9.593 3.951 -2.566 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.854 4.791 -5.292 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.867 4.065 -6.650 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -8.939 3.849 -7.264 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.751 3.727 -7.106 1.00 0.00 O ATOM 0 H ASP B 40 -8.881 6.899 -5.558 1.00 0.00 H new ATOM 0 HA ASP B 40 -9.962 4.302 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.341 5.745 -5.414 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.267 4.201 -4.589 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.733 6.010 -2.434 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.581 5.968 -0.969 1.00 0.00 C ATOM 1614 C GLU B 41 -9.943 6.057 -0.269 1.00 0.00 C ATOM 1615 O GLU B 41 -10.186 5.346 0.703 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.648 7.067 -0.412 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.170 7.077 -0.853 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.384 5.775 -0.686 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.858 4.797 -0.052 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.236 5.688 -1.201 1.00 0.00 O ATOM 0 H GLU B 41 -8.465 6.899 -2.856 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.114 5.007 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -8.079 8.032 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.668 6.998 0.676 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -6.133 7.362 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.655 7.857 -0.293 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.870 6.861 -0.791 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.252 6.899 -0.300 1.00 0.00 C ATOM 1629 C GLU B 42 -12.946 5.526 -0.435 1.00 0.00 C ATOM 1630 O GLU B 42 -13.714 5.127 0.447 1.00 0.00 O ATOM 1631 CB GLU B 42 -13.013 8.017 -1.030 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.368 8.318 -0.379 1.00 0.00 C ATOM 1633 CD GLU B 42 -15.031 9.550 -1.024 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.737 9.398 -2.052 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -14.866 10.680 -0.501 1.00 0.00 O ATOM 0 H GLU B 42 -10.687 7.502 -1.563 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.249 7.122 0.767 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.406 8.922 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -13.168 7.729 -2.070 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -15.024 7.453 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.232 8.491 0.688 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.613 4.757 -1.486 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.077 3.372 -1.665 1.00 0.00 C ATOM 1644 C LYS B 43 -12.512 2.433 -0.595 1.00 0.00 C ATOM 1645 O LYS B 43 -13.267 1.653 -0.018 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.728 2.867 -3.080 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.790 1.916 -3.649 1.00 0.00 C ATOM 1648 CD LYS B 43 -15.041 2.658 -4.149 1.00 0.00 C ATOM 1649 CE LYS B 43 -16.056 1.656 -4.712 1.00 0.00 C ATOM 1650 NZ LYS B 43 -17.247 2.343 -5.279 1.00 0.00 N ATOM 0 H LYS B 43 -12.009 5.083 -2.241 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.161 3.371 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.615 3.721 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.766 2.355 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.358 1.345 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.080 1.199 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.490 3.222 -3.332 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.763 3.378 -4.919 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -15.581 1.052 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.371 0.973 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -17.912 1.635 -5.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -17.714 2.900 -4.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -16.949 2.976 -6.049 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.221 2.535 -0.257 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.600 1.785 0.815 1.00 0.00 C ATOM 1666 C HIS B 44 -11.243 2.086 2.169 1.00 0.00 C ATOM 1667 O HIS B 44 -11.495 1.160 2.932 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.116 2.155 0.837 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.306 1.856 -0.401 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -6.977 2.268 -0.622 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.752 1.160 -1.484 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.689 1.815 -1.867 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.735 1.164 -2.398 1.00 0.00 N ATOM 0 H HIS B 44 -10.574 3.159 -0.739 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.735 0.718 0.637 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.038 3.223 1.040 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.652 1.636 1.676 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.720 0.696 -1.598 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.742 1.959 -2.366 1.00 0.00 H new ATOM 0 HE2 HIS B 44 -7.766 0.743 -3.327 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.557 3.358 2.447 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.236 3.794 3.676 1.00 0.00 C ATOM 1683 C ILE B 45 -13.621 3.129 3.840 1.00 0.00 C ATOM 1684 O ILE B 45 -13.940 2.653 4.931 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.254 5.347 3.739 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -11.056 5.894 4.554 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.541 5.923 4.356 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.669 5.656 3.947 1.00 0.00 C ATOM 0 H ILE B 45 -11.343 4.128 1.813 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.674 3.451 4.545 1.00 0.00 H new ATOM 0 HB ILE B 45 -12.194 5.666 2.698 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -11.193 6.967 4.689 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -11.080 5.442 5.546 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.483 7.011 4.368 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.400 5.611 3.762 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.652 5.555 5.376 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.908 6.080 4.602 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.498 4.585 3.839 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.613 6.133 2.969 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.420 3.014 2.770 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.706 2.298 2.791 1.00 0.00 C ATOM 1702 C GLU B 46 -15.557 0.810 3.140 1.00 0.00 C ATOM 1703 O GLU B 46 -16.349 0.259 3.911 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.386 2.416 1.415 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.144 3.727 1.199 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.457 3.765 2.007 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.485 3.227 1.527 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.475 4.340 3.124 1.00 0.00 O ATOM 0 H GLU B 46 -14.193 3.416 1.861 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.311 2.762 3.570 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.628 2.316 0.638 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.080 1.584 1.293 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.512 4.565 1.492 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.365 3.849 0.139 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.531 0.155 2.594 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.251 -1.255 2.827 1.00 0.00 C ATOM 1717 C TRP B 47 -13.694 -1.489 4.232 1.00 0.00 C ATOM 1718 O TRP B 47 -14.015 -2.482 4.877 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.230 -1.738 1.791 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.504 -1.572 0.320 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -14.683 -1.279 -0.282 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.531 -1.672 -0.765 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.498 -1.179 -1.652 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.181 -1.400 -2.003 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.152 -1.961 -0.817 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.489 -1.388 -3.225 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.441 -1.963 -2.033 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.107 -1.659 -3.236 1.00 0.00 C ATOM 0 H TRP B 47 -13.862 0.601 1.967 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.184 -1.812 2.735 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.290 -1.230 2.003 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.066 -2.800 1.971 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -15.625 -1.144 0.229 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.242 -0.968 -2.318 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -10.627 -2.187 0.099 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.011 -1.173 -4.146 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.387 -2.197 -2.043 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -10.559 -1.634 -4.166 1.00 0.00 H new ATOM 1739 N LEU B 48 -12.904 -0.552 4.747 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.371 -0.574 6.105 1.00 0.00 C ATOM 1741 C LEU B 48 -13.467 -0.629 7.173 1.00 0.00 C ATOM 1742 O LEU B 48 -13.454 -1.473 8.067 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.513 0.685 6.296 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.067 0.406 6.668 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.953 -0.536 7.862 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.242 -0.145 5.506 1.00 0.00 C ATOM 0 H LEU B 48 -12.608 0.267 4.216 1.00 0.00 H new ATOM 0 HA LEU B 48 -11.779 -1.481 6.229 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.533 1.267 5.375 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.963 1.303 7.073 1.00 0.00 H new ATOM 0 HG LEU B 48 -9.655 1.378 6.940 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.901 -0.707 8.092 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -10.445 -0.090 8.726 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -10.431 -1.486 7.623 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.219 -0.323 5.838 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.680 -1.082 5.161 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -9.238 0.576 4.689 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.462 0.238 7.026 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.683 0.257 7.857 1.00 0.00 C ATOM 1760 C GLU B 49 -16.539 -1.012 7.724 1.00 0.00 C ATOM 1761 O GLU B 49 -17.367 -1.318 8.581 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.533 1.474 7.449 1.00 0.00 C ATOM 1763 CG GLU B 49 -16.959 2.374 8.617 1.00 0.00 C ATOM 1764 CD GLU B 49 -17.994 1.712 9.547 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.196 1.656 9.184 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -17.619 1.292 10.669 1.00 0.00 O ATOM 0 H GLU B 49 -14.452 0.968 6.313 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.361 0.312 8.897 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -15.968 2.072 6.733 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.427 1.121 6.934 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -16.078 2.645 9.199 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.376 3.300 8.221 1.00 0.00 H new ATOM 1773 N THR B 50 -16.321 -1.760 6.648 1.00 0.00 N ATOM 1774 CA THR B 50 -17.018 -3.010 6.336 1.00 0.00 C ATOM 1775 C THR B 50 -16.278 -4.219 6.920 1.00 0.00 C ATOM 1776 O THR B 50 -16.898 -5.197 7.342 1.00 0.00 O ATOM 1777 CB THR B 50 -17.197 -3.108 4.814 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.061 -2.086 4.353 1.00 0.00 O ATOM 1779 CG2 THR B 50 -17.791 -4.427 4.370 1.00 0.00 C ATOM 0 H THR B 50 -15.630 -1.507 5.942 1.00 0.00 H new ATOM 0 HA THR B 50 -18.004 -3.011 6.801 1.00 0.00 H new ATOM 0 HB THR B 50 -16.196 -3.011 4.394 1.00 0.00 H new ATOM 0 HG1 THR B 50 -17.544 -1.270 4.188 1.00 0.00 H new ATOM 0 HG21 THR B 50 -17.892 -4.434 3.285 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.137 -5.243 4.678 1.00 0.00 H new ATOM 0 HG23 THR B 50 -18.772 -4.556 4.827 1.00 0.00 H new ATOM 1787 N ILE B 51 -14.950 -4.121 7.017 1.00 0.00 N ATOM 1788 CA ILE B 51 -14.074 -5.043 7.756 1.00 0.00 C ATOM 1789 C ILE B 51 -14.261 -4.905 9.275 1.00 0.00 C ATOM 1790 O ILE B 51 -14.135 -5.879 10.021 1.00 0.00 O ATOM 1791 CB ILE B 51 -12.603 -4.839 7.310 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -12.407 -5.195 5.814 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -11.610 -5.677 8.137 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -11.181 -4.514 5.190 1.00 0.00 C ATOM 0 H ILE B 51 -14.431 -3.368 6.566 1.00 0.00 H new ATOM 0 HA ILE B 51 -14.354 -6.069 7.516 1.00 0.00 H new ATOM 0 HB ILE B 51 -12.396 -3.782 7.474 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -12.305 -6.276 5.714 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -13.299 -4.906 5.258 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -10.596 -5.495 7.781 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -11.682 -5.395 9.187 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -11.848 -6.735 8.028 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -11.098 -4.803 4.142 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -11.291 -3.432 5.260 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -10.282 -4.823 5.724 1.00 0.00 H new ATOM 1806 N ASN B 52 -14.606 -3.702 9.723 1.00 0.00 N ATOM 1807 CA ASN B 52 -14.919 -3.400 11.123 1.00 0.00 C ATOM 1808 C ASN B 52 -16.157 -4.197 11.615 1.00 0.00 C ATOM 1809 O ASN B 52 -17.140 -4.351 10.882 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.070 -1.870 11.270 1.00 0.00 C ATOM 1811 CG ASN B 52 -14.954 -1.363 12.702 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -15.207 -2.055 13.675 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -14.527 -0.134 12.886 1.00 0.00 N ATOM 0 H ASN B 52 -14.679 -2.889 9.112 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.105 -3.724 11.771 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -14.309 -1.381 10.661 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -16.039 -1.572 10.869 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -14.411 0.229 13.832 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -14.311 0.457 12.083 1.00 0.00 H new ATOM 1820 N GLY B 53 -16.113 -4.706 12.855 1.00 0.00 N ATOM 1821 CA GLY B 53 -17.137 -5.568 13.473 1.00 0.00 C ATOM 1822 C GLY B 53 -16.961 -5.706 14.986 1.00 0.00 C ATOM 1823 O GLY B 53 -17.877 -5.289 15.731 1.00 0.00 O ATOM 1824 OXT GLY B 53 -15.912 -6.236 15.413 1.00 0.00 O ATOM 0 H GLY B 53 -15.331 -4.522 13.483 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -18.125 -5.159 13.263 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -17.097 -6.557 13.016 1.00 0.00 H new TER 1828 GLY B 53 HETATM 1829 ZN ZN A 54 -2.789 5.037 -1.214 1.00 0.00 ZN HETATM 1830 ZN ZN B 154 -5.670 3.206 0.750 1.00 0.00 ZN