USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 822 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 40 HIS HD1 : A 40 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD NoAdj-H: B 40 HIS HD1 : B 40 HIS ND1 : B 150 ZNZN :(H bumps) 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 -34:sc= -21.3! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 13 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.013) USER MOD Single : A 15 MET CE :methyl 170:sc= -0.0295 (180deg=-0.382) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -126:sc= -4.3! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.16) USER MOD Single : A 46 THR OG1 : rot 84:sc= 0.113 USER MOD Single : A 48 ASN : amide:sc= 0.519 K(o=0.52,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -128:sc= 1.16 (180deg=-0.283) USER MOD Single : B 3 TYR OH : rot -49:sc= -10.9! USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.9!) USER MOD Single : B 13 GLN : amide:sc= -0.0384 X(o=-0.038,f=-0.38) USER MOD Single : B 15 MET CE :methyl 178:sc= 0 (180deg=-0.0095) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 166:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00581) USER MOD Single : B 39 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.22) USER MOD Single : B 46 THR OG1 : rot 72:sc= 1.05 USER MOD Single : B 48 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.829 -18.418 0.267 1.00 0.00 N ATOM 2 CA MET A 1 -4.326 -17.838 -1.010 1.00 0.00 C ATOM 3 C MET A 1 -3.179 -17.237 -1.824 1.00 0.00 C ATOM 4 O MET A 1 -2.789 -16.086 -1.620 1.00 0.00 O ATOM 5 CB MET A 1 -5.445 -16.797 -0.793 1.00 0.00 C ATOM 6 CG MET A 1 -6.798 -17.432 -0.454 1.00 0.00 C ATOM 7 SD MET A 1 -7.431 -18.546 -1.743 1.00 0.00 S ATOM 8 CE MET A 1 -9.055 -18.936 -1.040 1.00 0.00 C ATOM 0 H1 MET A 1 -4.627 -18.819 0.800 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.138 -19.168 0.062 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.374 -17.673 0.833 1.00 0.00 H new ATOM 0 HA MET A 1 -4.762 -18.661 -1.577 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.155 -16.123 0.013 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.550 -16.192 -1.693 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.704 -17.988 0.479 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.527 -16.640 -0.281 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.586 -19.615 -1.706 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.926 -19.410 -0.067 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.631 -18.018 -0.923 1.00 0.00 H new ATOM 20 N ASP A 2 -2.641 -18.005 -2.773 1.00 0.00 N ATOM 21 CA ASP A 2 -1.506 -17.642 -3.645 1.00 0.00 C ATOM 22 C ASP A 2 -1.910 -16.704 -4.813 1.00 0.00 C ATOM 23 O ASP A 2 -1.589 -16.950 -5.978 1.00 0.00 O ATOM 24 CB ASP A 2 -0.837 -18.947 -4.116 1.00 0.00 C ATOM 25 CG ASP A 2 0.534 -18.726 -4.784 1.00 0.00 C ATOM 26 OD1 ASP A 2 1.364 -17.967 -4.229 1.00 0.00 O ATOM 27 OD2 ASP A 2 0.812 -19.365 -5.829 1.00 0.00 O ATOM 0 H ASP A 2 -2.996 -18.941 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.786 -17.051 -3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.713 -19.612 -3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.499 -19.452 -4.820 1.00 0.00 H new ATOM 32 N TYR A 3 -2.665 -15.642 -4.504 1.00 0.00 N ATOM 33 CA TYR A 3 -3.159 -14.639 -5.464 1.00 0.00 C ATOM 34 C TYR A 3 -3.142 -13.226 -4.857 1.00 0.00 C ATOM 35 O TYR A 3 -2.565 -12.313 -5.447 1.00 0.00 O ATOM 36 CB TYR A 3 -4.585 -15.018 -5.935 1.00 0.00 C ATOM 37 CG TYR A 3 -4.862 -15.019 -7.430 1.00 0.00 C ATOM 38 CD1 TYR A 3 -3.943 -15.574 -8.345 1.00 0.00 C ATOM 39 CD2 TYR A 3 -6.114 -14.564 -7.892 1.00 0.00 C ATOM 40 CE1 TYR A 3 -4.263 -15.651 -9.714 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.445 -14.659 -9.257 1.00 0.00 C ATOM 42 CZ TYR A 3 -5.518 -15.200 -10.173 1.00 0.00 C ATOM 43 OH TYR A 3 -5.839 -15.311 -11.489 1.00 0.00 O ATOM 0 H TYR A 3 -2.960 -15.448 -3.547 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.492 -14.631 -6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.810 -16.013 -5.552 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.287 -14.329 -5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.990 -15.941 -7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.822 -14.141 -7.195 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.547 -16.056 -10.413 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.409 -14.318 -9.603 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.034 -15.187 -12.034 1.00 0.00 H new ATOM 53 N LEU A 4 -3.704 -13.053 -3.649 1.00 0.00 N ATOM 54 CA LEU A 4 -3.826 -11.769 -2.975 1.00 0.00 C ATOM 55 C LEU A 4 -2.790 -11.520 -1.864 1.00 0.00 C ATOM 56 O LEU A 4 -2.494 -10.360 -1.585 1.00 0.00 O ATOM 57 CB LEU A 4 -5.273 -11.591 -2.502 1.00 0.00 C ATOM 58 CG LEU A 4 -5.809 -12.659 -1.539 1.00 0.00 C ATOM 59 CD1 LEU A 4 -6.630 -12.029 -0.412 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.706 -13.660 -2.271 1.00 0.00 C ATOM 0 H LEU A 4 -4.092 -13.826 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.586 -10.994 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.357 -10.619 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.919 -11.566 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.940 -13.169 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.996 -12.811 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.004 -11.337 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.476 -11.489 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.072 -14.405 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.552 -13.134 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.134 -14.154 -3.056 1.00 0.00 H new ATOM 72 N ARG A 5 -2.157 -12.552 -1.283 1.00 0.00 N ATOM 73 CA ARG A 5 -1.041 -12.347 -0.330 1.00 0.00 C ATOM 74 C ARG A 5 0.143 -11.622 -0.976 1.00 0.00 C ATOM 75 O ARG A 5 0.731 -10.738 -0.360 1.00 0.00 O ATOM 76 CB ARG A 5 -0.584 -13.672 0.302 1.00 0.00 C ATOM 77 CG ARG A 5 -1.669 -14.290 1.199 1.00 0.00 C ATOM 78 CD ARG A 5 -1.158 -15.523 1.961 1.00 0.00 C ATOM 79 NE ARG A 5 -0.349 -15.151 3.142 1.00 0.00 N ATOM 80 CZ ARG A 5 0.961 -15.240 3.305 1.00 0.00 C ATOM 81 NH1 ARG A 5 1.762 -15.645 2.361 1.00 0.00 N ATOM 82 NH2 ARG A 5 1.498 -14.914 4.446 1.00 0.00 N ATOM 0 H ARG A 5 -2.392 -13.530 -1.451 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.426 -11.707 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.321 -14.377 -0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.318 -13.501 0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.018 -13.543 1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.526 -14.572 0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.006 -16.129 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.559 -16.140 1.291 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.870 -14.777 3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.385 -15.909 1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.766 -15.698 2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.909 -14.590 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.508 -14.982 4.572 1.00 0.00 H new ATOM 96 N GLU A 6 0.434 -11.932 -2.241 1.00 0.00 N ATOM 97 CA GLU A 6 1.415 -11.251 -3.076 1.00 0.00 C ATOM 98 C GLU A 6 1.086 -9.770 -3.330 1.00 0.00 C ATOM 99 O GLU A 6 2.002 -8.973 -3.524 1.00 0.00 O ATOM 100 CB GLU A 6 1.491 -12.020 -4.400 1.00 0.00 C ATOM 101 CG GLU A 6 2.536 -13.142 -4.361 1.00 0.00 C ATOM 102 CD GLU A 6 2.794 -13.719 -5.770 1.00 0.00 C ATOM 103 OE1 GLU A 6 1.879 -14.345 -6.355 1.00 0.00 O ATOM 104 OE2 GLU A 6 3.921 -13.551 -6.295 1.00 0.00 O ATOM 0 H GLU A 6 -0.030 -12.698 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 6 2.372 -11.244 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.513 -12.445 -4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.734 -11.328 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.468 -12.759 -3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.195 -13.937 -3.697 1.00 0.00 H new ATOM 111 N LEU A 7 -0.197 -9.388 -3.294 1.00 0.00 N ATOM 112 CA LEU A 7 -0.633 -7.992 -3.396 1.00 0.00 C ATOM 113 C LEU A 7 -0.509 -7.276 -2.045 1.00 0.00 C ATOM 114 O LEU A 7 0.037 -6.180 -1.965 1.00 0.00 O ATOM 115 CB LEU A 7 -2.074 -7.928 -3.929 1.00 0.00 C ATOM 116 CG LEU A 7 -2.334 -8.621 -5.276 1.00 0.00 C ATOM 117 CD1 LEU A 7 -3.803 -8.449 -5.664 1.00 0.00 C ATOM 118 CD2 LEU A 7 -1.464 -8.075 -6.406 1.00 0.00 C ATOM 0 H LEU A 7 -0.969 -10.047 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 7 0.019 -7.474 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.734 -8.371 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.357 -6.880 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.081 -9.673 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.987 -8.941 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.436 -8.896 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.034 -7.387 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.694 -8.604 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.663 -7.011 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.412 -8.219 -6.158 1.00 0.00 H new ATOM 130 N TYR A 8 -0.964 -7.910 -0.965 1.00 0.00 N ATOM 131 CA TYR A 8 -0.854 -7.405 0.410 1.00 0.00 C ATOM 132 C TYR A 8 0.589 -7.049 0.782 1.00 0.00 C ATOM 133 O TYR A 8 0.880 -5.926 1.199 1.00 0.00 O ATOM 134 CB TYR A 8 -1.427 -8.460 1.363 1.00 0.00 C ATOM 135 CG TYR A 8 -2.128 -7.880 2.579 1.00 0.00 C ATOM 136 CD1 TYR A 8 -1.380 -7.349 3.648 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.536 -7.854 2.630 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.037 -6.783 4.757 1.00 0.00 C ATOM 139 CE2 TYR A 8 -4.198 -7.286 3.734 1.00 0.00 C ATOM 140 CZ TYR A 8 -3.448 -6.744 4.802 1.00 0.00 C ATOM 141 OH TYR A 8 -4.076 -6.184 5.873 1.00 0.00 O ATOM 0 H TYR A 8 -1.433 -8.814 -1.020 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.424 -6.480 0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.131 -9.086 0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.618 -9.109 1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.301 -7.376 3.617 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.110 -8.273 1.817 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.461 -6.378 5.575 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.277 -7.264 3.765 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.046 -6.237 5.747 1.00 0.00 H new ATOM 151 N LYS A 9 1.504 -7.988 0.525 1.00 0.00 N ATOM 152 CA LYS A 9 2.962 -7.817 0.695 1.00 0.00 C ATOM 153 C LYS A 9 3.651 -6.995 -0.410 1.00 0.00 C ATOM 154 O LYS A 9 4.878 -6.925 -0.444 1.00 0.00 O ATOM 155 CB LYS A 9 3.612 -9.183 0.969 1.00 0.00 C ATOM 156 CG LYS A 9 3.950 -9.998 -0.287 1.00 0.00 C ATOM 157 CD LYS A 9 4.086 -11.482 0.079 1.00 0.00 C ATOM 158 CE LYS A 9 4.761 -12.320 -1.016 1.00 0.00 C ATOM 159 NZ LYS A 9 6.231 -12.086 -1.081 1.00 0.00 N ATOM 0 H LYS A 9 1.251 -8.915 0.184 1.00 0.00 H new ATOM 0 HA LYS A 9 3.118 -7.187 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.527 -9.026 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.941 -9.770 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.169 -9.869 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.879 -9.636 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.662 -11.570 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.096 -11.891 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.571 -13.377 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.314 -12.081 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.643 -12.673 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.414 -11.083 -1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.663 -12.339 -0.170 1.00 0.00 H new ATOM 173 N LEU A 10 2.872 -6.332 -1.267 1.00 0.00 N ATOM 174 CA LEU A 10 3.275 -5.224 -2.125 1.00 0.00 C ATOM 175 C LEU A 10 2.760 -3.909 -1.519 1.00 0.00 C ATOM 176 O LEU A 10 3.514 -2.947 -1.430 1.00 0.00 O ATOM 177 CB LEU A 10 2.769 -5.541 -3.556 1.00 0.00 C ATOM 178 CG LEU A 10 2.002 -4.419 -4.271 1.00 0.00 C ATOM 179 CD1 LEU A 10 2.931 -3.476 -5.024 1.00 0.00 C ATOM 180 CD2 LEU A 10 0.889 -4.972 -5.153 1.00 0.00 C ATOM 0 H LEU A 10 1.887 -6.570 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 10 4.356 -5.099 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.628 -5.813 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.123 -6.418 -3.504 1.00 0.00 H new ATOM 0 HG LEU A 10 1.521 -3.817 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.343 -2.700 -5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.628 -3.016 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.488 -4.037 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.369 -4.148 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.317 -5.631 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.184 -5.533 -4.540 1.00 0.00 H new ATOM 192 N GLU A 11 1.490 -3.848 -1.107 1.00 0.00 N ATOM 193 CA GLU A 11 0.812 -2.581 -0.806 1.00 0.00 C ATOM 194 C GLU A 11 1.264 -2.035 0.558 1.00 0.00 C ATOM 195 O GLU A 11 1.566 -0.847 0.669 1.00 0.00 O ATOM 196 CB GLU A 11 -0.717 -2.778 -0.886 1.00 0.00 C ATOM 197 CG GLU A 11 -1.252 -3.118 -2.301 1.00 0.00 C ATOM 198 CD GLU A 11 -1.591 -1.894 -3.156 1.00 0.00 C ATOM 199 OE1 GLU A 11 -2.666 -1.273 -3.118 1.00 0.00 O ATOM 200 OE2 GLU A 11 -0.891 -1.366 -4.038 1.00 0.00 O ATOM 0 H GLU A 11 0.904 -4.672 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 11 1.088 -1.833 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.003 -3.577 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.206 -1.869 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.507 -3.717 -2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.145 -3.735 -2.201 1.00 0.00 H new ATOM 207 N GLN A 12 1.430 -2.904 1.567 1.00 0.00 N ATOM 208 CA GLN A 12 2.079 -2.571 2.840 1.00 0.00 C ATOM 209 C GLN A 12 3.583 -2.278 2.668 1.00 0.00 C ATOM 210 O GLN A 12 4.111 -1.344 3.270 1.00 0.00 O ATOM 211 CB GLN A 12 1.850 -3.728 3.831 1.00 0.00 C ATOM 212 CG GLN A 12 0.919 -3.329 4.982 1.00 0.00 C ATOM 213 CD GLN A 12 1.554 -2.454 6.067 1.00 0.00 C ATOM 214 OE1 GLN A 12 2.751 -2.207 6.116 1.00 0.00 O ATOM 215 NE2 GLN A 12 0.767 -1.956 6.998 1.00 0.00 N ATOM 0 H GLN A 12 1.112 -3.872 1.519 1.00 0.00 H new ATOM 0 HA GLN A 12 1.633 -1.656 3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.424 -4.580 3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.808 -4.052 4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.062 -2.799 4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.536 -4.237 5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.234 -2.149 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.159 -1.377 7.741 1.00 0.00 H new ATOM 224 N GLN A 13 4.273 -3.037 1.809 1.00 0.00 N ATOM 225 CA GLN A 13 5.710 -2.880 1.537 1.00 0.00 C ATOM 226 C GLN A 13 6.049 -1.548 0.849 1.00 0.00 C ATOM 227 O GLN A 13 6.969 -0.848 1.269 1.00 0.00 O ATOM 228 CB GLN A 13 6.207 -4.072 0.719 1.00 0.00 C ATOM 229 CG GLN A 13 7.164 -4.987 1.498 1.00 0.00 C ATOM 230 CD GLN A 13 8.499 -4.318 1.836 1.00 0.00 C ATOM 231 OE1 GLN A 13 9.176 -3.746 0.992 1.00 0.00 O ATOM 232 NE2 GLN A 13 8.935 -4.360 3.078 1.00 0.00 N ATOM 0 H GLN A 13 3.843 -3.791 1.273 1.00 0.00 H new ATOM 0 HA GLN A 13 6.228 -2.856 2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.350 -4.656 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.713 -3.705 -0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.681 -5.305 2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.354 -5.886 0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.385 -4.832 3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.823 -3.921 3.322 1.00 0.00 H new ATOM 241 N ALA A 14 5.277 -1.159 -0.167 1.00 0.00 N ATOM 242 CA ALA A 14 5.393 0.143 -0.814 1.00 0.00 C ATOM 243 C ALA A 14 5.025 1.277 0.160 1.00 0.00 C ATOM 244 O ALA A 14 5.770 2.245 0.274 1.00 0.00 O ATOM 245 CB ALA A 14 4.512 0.142 -2.068 1.00 0.00 C ATOM 0 H ALA A 14 4.546 -1.748 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 14 6.426 0.324 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.586 1.109 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.847 -0.642 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.476 -0.042 -1.784 1.00 0.00 H new ATOM 251 N MET A 15 3.937 1.133 0.929 1.00 0.00 N ATOM 252 CA MET A 15 3.525 2.086 1.971 1.00 0.00 C ATOM 253 C MET A 15 4.618 2.352 3.009 1.00 0.00 C ATOM 254 O MET A 15 4.940 3.512 3.260 1.00 0.00 O ATOM 255 CB MET A 15 2.229 1.561 2.623 1.00 0.00 C ATOM 256 CG MET A 15 1.797 2.240 3.929 1.00 0.00 C ATOM 257 SD MET A 15 1.558 4.034 3.885 1.00 0.00 S ATOM 258 CE MET A 15 0.389 4.165 2.511 1.00 0.00 C ATOM 0 H MET A 15 3.306 0.336 0.843 1.00 0.00 H new ATOM 0 HA MET A 15 3.342 3.054 1.505 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.419 1.662 1.901 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.352 0.495 2.817 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.863 1.782 4.256 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.545 2.017 4.690 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.001 5.181 2.461 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.897 3.925 1.577 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.434 3.467 2.666 1.00 0.00 H new ATOM 268 N LYS A 16 5.254 1.302 3.543 1.00 0.00 N ATOM 269 CA LYS A 16 6.411 1.392 4.451 1.00 0.00 C ATOM 270 C LYS A 16 7.503 2.339 3.959 1.00 0.00 C ATOM 271 O LYS A 16 8.125 3.023 4.768 1.00 0.00 O ATOM 272 CB LYS A 16 7.024 -0.010 4.615 1.00 0.00 C ATOM 273 CG LYS A 16 6.623 -0.729 5.915 1.00 0.00 C ATOM 274 CD LYS A 16 7.567 -0.459 7.102 1.00 0.00 C ATOM 275 CE LYS A 16 7.621 1.012 7.537 1.00 0.00 C ATOM 276 NZ LYS A 16 8.548 1.212 8.685 1.00 0.00 N ATOM 0 H LYS A 16 4.973 0.340 3.352 1.00 0.00 H new ATOM 0 HA LYS A 16 6.039 1.791 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.726 -0.626 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.110 0.075 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.614 -0.422 6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.590 -1.802 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.250 -1.066 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.572 -0.785 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.943 1.628 6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.621 1.347 7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.559 2.217 8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.227 0.643 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.507 0.916 8.413 1.00 0.00 H new ATOM 290 N LEU A 17 7.741 2.365 2.650 1.00 0.00 N ATOM 291 CA LEU A 17 8.816 3.114 2.029 1.00 0.00 C ATOM 292 C LEU A 17 8.357 4.507 1.634 1.00 0.00 C ATOM 293 O LEU A 17 9.009 5.488 1.984 1.00 0.00 O ATOM 294 CB LEU A 17 9.258 2.341 0.785 1.00 0.00 C ATOM 295 CG LEU A 17 9.848 0.969 1.105 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.945 0.135 -0.172 1.00 0.00 C ATOM 297 CD2 LEU A 17 11.224 1.045 1.762 1.00 0.00 C ATOM 0 H LEU A 17 7.172 1.849 1.978 1.00 0.00 H new ATOM 0 HA LEU A 17 9.640 3.228 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.403 2.215 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.998 2.930 0.244 1.00 0.00 H new ATOM 0 HG LEU A 17 9.174 0.500 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.367 -0.842 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.951 0.008 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.587 0.644 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.587 0.037 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.919 1.554 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.150 1.598 2.698 1.00 0.00 H new ATOM 309 N TYR A 18 7.207 4.596 0.965 1.00 0.00 N ATOM 310 CA TYR A 18 6.592 5.846 0.557 1.00 0.00 C ATOM 311 C TYR A 18 6.352 6.764 1.759 1.00 0.00 C ATOM 312 O TYR A 18 6.643 7.956 1.689 1.00 0.00 O ATOM 313 CB TYR A 18 5.262 5.533 -0.143 1.00 0.00 C ATOM 314 CG TYR A 18 5.287 5.053 -1.587 1.00 0.00 C ATOM 315 CD1 TYR A 18 6.111 5.674 -2.550 1.00 0.00 C ATOM 316 CD2 TYR A 18 4.358 4.075 -1.998 1.00 0.00 C ATOM 317 CE1 TYR A 18 5.999 5.326 -3.910 1.00 0.00 C ATOM 318 CE2 TYR A 18 4.248 3.722 -3.356 1.00 0.00 C ATOM 319 CZ TYR A 18 5.064 4.355 -4.319 1.00 0.00 C ATOM 320 OH TYR A 18 4.934 4.061 -5.639 1.00 0.00 O ATOM 0 H TYR A 18 6.668 3.775 0.688 1.00 0.00 H new ATOM 0 HA TYR A 18 7.263 6.367 -0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.749 4.774 0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.650 6.434 -0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.830 6.419 -2.243 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.727 3.594 -1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 18 6.632 5.805 -4.642 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.539 2.967 -3.662 1.00 0.00 H new ATOM 0 HH TYR A 18 3.995 4.155 -5.904 1.00 0.00 H new ATOM 330 N ARG A 19 5.874 6.221 2.886 1.00 0.00 N ATOM 331 CA ARG A 19 5.627 6.998 4.113 1.00 0.00 C ATOM 332 C ARG A 19 6.929 7.518 4.719 1.00 0.00 C ATOM 333 O ARG A 19 6.964 8.655 5.183 1.00 0.00 O ATOM 334 CB ARG A 19 4.750 6.212 5.114 1.00 0.00 C ATOM 335 CG ARG A 19 5.465 5.088 5.887 1.00 0.00 C ATOM 336 CD ARG A 19 5.965 5.522 7.277 1.00 0.00 C ATOM 337 NE ARG A 19 5.008 5.144 8.338 1.00 0.00 N ATOM 338 CZ ARG A 19 4.941 5.618 9.570 1.00 0.00 C ATOM 339 NH1 ARG A 19 5.637 6.636 9.983 1.00 0.00 N ATOM 340 NH2 ARG A 19 4.150 5.057 10.440 1.00 0.00 N ATOM 0 H ARG A 19 5.647 5.231 2.975 1.00 0.00 H new ATOM 0 HA ARG A 19 5.051 7.883 3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.333 6.916 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.911 5.778 4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.783 4.246 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.312 4.735 5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.933 5.062 7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.117 6.601 7.290 1.00 0.00 H new ATOM 0 HE ARG A 19 4.319 4.434 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.275 7.111 9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.545 6.960 10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.583 4.253 10.170 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.097 5.422 11.391 1.00 0.00 H new ATOM 354 N GLU A 20 8.016 6.743 4.641 1.00 0.00 N ATOM 355 CA GLU A 20 9.321 7.189 5.132 1.00 0.00 C ATOM 356 C GLU A 20 9.876 8.301 4.237 1.00 0.00 C ATOM 357 O GLU A 20 10.271 9.357 4.718 1.00 0.00 O ATOM 358 CB GLU A 20 10.286 5.999 5.128 1.00 0.00 C ATOM 359 CG GLU A 20 11.402 6.087 6.173 1.00 0.00 C ATOM 360 CD GLU A 20 10.872 5.894 7.611 1.00 0.00 C ATOM 361 OE1 GLU A 20 10.527 4.747 7.989 1.00 0.00 O ATOM 362 OE2 GLU A 20 10.823 6.886 8.376 1.00 0.00 O ATOM 0 H GLU A 20 8.016 5.804 4.242 1.00 0.00 H new ATOM 0 HA GLU A 20 9.210 7.579 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.717 5.085 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.737 5.915 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.156 5.329 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.894 7.057 6.096 1.00 0.00 H new ATOM 369 N ALA A 21 9.840 8.091 2.919 1.00 0.00 N ATOM 370 CA ALA A 21 10.234 9.092 1.927 1.00 0.00 C ATOM 371 C ALA A 21 9.389 10.382 2.025 1.00 0.00 C ATOM 372 O ALA A 21 9.938 11.478 1.931 1.00 0.00 O ATOM 373 CB ALA A 21 10.207 8.457 0.530 1.00 0.00 C ATOM 0 H ALA A 21 9.533 7.210 2.507 1.00 0.00 H new ATOM 0 HA ALA A 21 11.255 9.414 2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.500 9.199 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.902 7.618 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.200 8.102 0.311 1.00 0.00 H new ATOM 379 N SER A 22 8.087 10.292 2.321 1.00 0.00 N ATOM 380 CA SER A 22 7.237 11.453 2.632 1.00 0.00 C ATOM 381 C SER A 22 7.763 12.228 3.846 1.00 0.00 C ATOM 382 O SER A 22 7.960 13.439 3.782 1.00 0.00 O ATOM 383 CB SER A 22 5.797 10.997 2.896 1.00 0.00 C ATOM 384 OG SER A 22 4.878 12.048 2.649 1.00 0.00 O ATOM 0 H SER A 22 7.587 9.404 2.352 1.00 0.00 H new ATOM 0 HA SER A 22 7.258 12.119 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.559 10.144 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.702 10.661 3.928 1.00 0.00 H new ATOM 0 HG SER A 22 3.966 11.733 2.822 1.00 0.00 H new ATOM 390 N GLU A 23 8.085 11.517 4.927 1.00 0.00 N ATOM 391 CA GLU A 23 8.697 12.061 6.155 1.00 0.00 C ATOM 392 C GLU A 23 10.178 12.500 6.011 1.00 0.00 C ATOM 393 O GLU A 23 10.758 13.016 6.974 1.00 0.00 O ATOM 394 CB GLU A 23 8.535 11.042 7.299 1.00 0.00 C ATOM 395 CG GLU A 23 7.071 10.904 7.744 1.00 0.00 C ATOM 396 CD GLU A 23 6.936 9.884 8.890 1.00 0.00 C ATOM 397 OE1 GLU A 23 6.916 8.658 8.622 1.00 0.00 O ATOM 398 OE2 GLU A 23 6.830 10.301 10.069 1.00 0.00 O ATOM 0 H GLU A 23 7.924 10.511 4.981 1.00 0.00 H new ATOM 0 HA GLU A 23 8.160 12.983 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.908 10.071 6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.145 11.351 8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.693 11.873 8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.458 10.590 6.899 1.00 0.00 H new ATOM 405 N ARG A 24 10.797 12.337 4.832 1.00 0.00 N ATOM 406 CA ARG A 24 12.186 12.745 4.512 1.00 0.00 C ATOM 407 C ARG A 24 12.287 13.780 3.374 1.00 0.00 C ATOM 408 O ARG A 24 13.294 14.484 3.296 1.00 0.00 O ATOM 409 CB ARG A 24 13.031 11.498 4.165 1.00 0.00 C ATOM 410 CG ARG A 24 13.819 10.859 5.323 1.00 0.00 C ATOM 411 CD ARG A 24 12.977 10.296 6.478 1.00 0.00 C ATOM 412 NE ARG A 24 12.913 11.213 7.631 1.00 0.00 N ATOM 413 CZ ARG A 24 13.619 11.146 8.746 1.00 0.00 C ATOM 414 NH1 ARG A 24 14.544 10.246 8.937 1.00 0.00 N ATOM 415 NH2 ARG A 24 13.406 11.998 9.706 1.00 0.00 N ATOM 0 H ARG A 24 10.330 11.900 4.038 1.00 0.00 H new ATOM 0 HA ARG A 24 12.574 13.236 5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.367 10.742 3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.738 11.772 3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.431 10.053 4.919 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.502 11.606 5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.967 10.095 6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.398 9.343 6.799 1.00 0.00 H new ATOM 0 HE ARG A 24 12.250 11.985 7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.745 9.559 8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.066 10.229 9.813 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.693 12.719 9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.952 11.944 10.566 1.00 0.00 H new ATOM 429 N VAL A 25 11.268 13.891 2.512 1.00 0.00 N ATOM 430 CA VAL A 25 11.298 14.678 1.256 1.00 0.00 C ATOM 431 C VAL A 25 10.063 15.583 1.087 1.00 0.00 C ATOM 432 O VAL A 25 10.177 16.678 0.536 1.00 0.00 O ATOM 433 CB VAL A 25 11.457 13.747 0.031 1.00 0.00 C ATOM 434 CG1 VAL A 25 11.723 14.526 -1.263 1.00 0.00 C ATOM 435 CG2 VAL A 25 12.614 12.744 0.182 1.00 0.00 C ATOM 0 H VAL A 25 10.373 13.427 2.666 1.00 0.00 H new ATOM 0 HA VAL A 25 12.165 15.335 1.322 1.00 0.00 H new ATOM 0 HB VAL A 25 10.506 13.217 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.827 13.828 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.890 15.201 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.641 15.104 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.673 12.120 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.551 13.286 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.438 12.115 1.054 1.00 0.00 H new ATOM 445 N GLY A 26 8.896 15.184 1.607 1.00 0.00 N ATOM 446 CA GLY A 26 7.694 16.029 1.699 1.00 0.00 C ATOM 447 C GLY A 26 6.949 16.319 0.384 1.00 0.00 C ATOM 448 O GLY A 26 6.158 17.263 0.338 1.00 0.00 O ATOM 0 H GLY A 26 8.756 14.247 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.996 15.553 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.981 16.982 2.144 1.00 0.00 H new ATOM 452 N ASP A 27 7.191 15.558 -0.690 1.00 0.00 N ATOM 453 CA ASP A 27 6.517 15.749 -1.988 1.00 0.00 C ATOM 454 C ASP A 27 4.982 15.540 -1.897 1.00 0.00 C ATOM 455 O ASP A 27 4.536 14.511 -1.374 1.00 0.00 O ATOM 456 CB ASP A 27 7.125 14.809 -3.048 1.00 0.00 C ATOM 457 CG ASP A 27 8.040 15.572 -4.018 1.00 0.00 C ATOM 458 OD1 ASP A 27 7.509 16.251 -4.928 1.00 0.00 O ATOM 459 OD2 ASP A 27 9.282 15.501 -3.871 1.00 0.00 O ATOM 0 H ASP A 27 7.861 14.789 -0.687 1.00 0.00 H new ATOM 0 HA ASP A 27 6.680 16.785 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.693 14.021 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.325 14.323 -3.607 1.00 0.00 H new ATOM 464 N PRO A 28 4.148 16.455 -2.435 1.00 0.00 N ATOM 465 CA PRO A 28 2.689 16.354 -2.327 1.00 0.00 C ATOM 466 C PRO A 28 2.100 15.207 -3.163 1.00 0.00 C ATOM 467 O PRO A 28 1.124 14.583 -2.748 1.00 0.00 O ATOM 468 CB PRO A 28 2.152 17.721 -2.768 1.00 0.00 C ATOM 469 CG PRO A 28 3.231 18.249 -3.712 1.00 0.00 C ATOM 470 CD PRO A 28 4.521 17.689 -3.113 1.00 0.00 C ATOM 0 HA PRO A 28 2.394 16.113 -1.306 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.190 17.629 -3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.004 18.386 -1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.077 17.902 -4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.241 19.339 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.261 17.498 -3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.967 18.398 -2.415 1.00 0.00 H new ATOM 478 N VAL A 29 2.709 14.867 -4.307 1.00 0.00 N ATOM 479 CA VAL A 29 2.320 13.681 -5.095 1.00 0.00 C ATOM 480 C VAL A 29 2.647 12.370 -4.365 1.00 0.00 C ATOM 481 O VAL A 29 1.910 11.392 -4.478 1.00 0.00 O ATOM 482 CB VAL A 29 2.925 13.738 -6.512 1.00 0.00 C ATOM 483 CG1 VAL A 29 4.437 13.486 -6.567 1.00 0.00 C ATOM 484 CG2 VAL A 29 2.231 12.752 -7.451 1.00 0.00 C ATOM 0 H VAL A 29 3.479 15.399 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 29 1.236 13.697 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 29 2.756 14.764 -6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.778 13.545 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.953 14.239 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.655 12.495 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.680 12.816 -8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.346 11.739 -7.065 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.171 12.997 -7.516 1.00 0.00 H new ATOM 494 N LEU A 30 3.696 12.359 -3.534 1.00 0.00 N ATOM 495 CA LEU A 30 4.011 11.246 -2.640 1.00 0.00 C ATOM 496 C LEU A 30 2.931 11.097 -1.550 1.00 0.00 C ATOM 497 O LEU A 30 2.421 10.002 -1.334 1.00 0.00 O ATOM 498 CB LEU A 30 5.423 11.459 -2.056 1.00 0.00 C ATOM 499 CG LEU A 30 6.257 10.172 -2.001 1.00 0.00 C ATOM 500 CD1 LEU A 30 7.663 10.482 -1.484 1.00 0.00 C ATOM 501 CD2 LEU A 30 5.634 9.110 -1.103 1.00 0.00 C ATOM 0 H LEU A 30 4.356 13.134 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 30 4.012 10.307 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.950 12.200 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.335 11.870 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 30 6.295 9.779 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.248 9.563 -1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.147 11.195 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.597 10.909 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.264 8.221 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.548 9.497 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.644 8.852 -1.478 1.00 0.00 H new ATOM 513 N ALA A 31 2.492 12.201 -0.935 1.00 0.00 N ATOM 514 CA ALA A 31 1.351 12.193 -0.013 1.00 0.00 C ATOM 515 C ALA A 31 0.040 11.716 -0.682 1.00 0.00 C ATOM 516 O ALA A 31 -0.725 10.964 -0.072 1.00 0.00 O ATOM 517 CB ALA A 31 1.204 13.584 0.614 1.00 0.00 C ATOM 0 H ALA A 31 2.915 13.120 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 31 1.550 11.464 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.358 13.586 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.114 13.836 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.036 14.321 -0.171 1.00 0.00 H new ATOM 523 N LYS A 32 -0.202 12.081 -1.953 1.00 0.00 N ATOM 524 CA LYS A 32 -1.332 11.578 -2.761 1.00 0.00 C ATOM 525 C LYS A 32 -1.266 10.060 -2.984 1.00 0.00 C ATOM 526 O LYS A 32 -2.283 9.377 -2.873 1.00 0.00 O ATOM 527 CB LYS A 32 -1.387 12.347 -4.096 1.00 0.00 C ATOM 528 CG LYS A 32 -2.661 12.111 -4.927 1.00 0.00 C ATOM 529 CD LYS A 32 -3.915 12.730 -4.292 1.00 0.00 C ATOM 530 CE LYS A 32 -5.119 12.549 -5.226 1.00 0.00 C ATOM 531 NZ LYS A 32 -6.331 13.228 -4.696 1.00 0.00 N ATOM 0 H LYS A 32 0.389 12.743 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.254 11.756 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.298 13.413 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.522 12.066 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.521 12.530 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.814 11.039 -5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.116 12.259 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.750 13.790 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.879 12.949 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.324 11.486 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.124 13.085 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.574 12.829 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.143 14.246 -4.597 1.00 0.00 H new ATOM 545 N ILE A 33 -0.069 9.523 -3.228 1.00 0.00 N ATOM 546 CA ILE A 33 0.188 8.075 -3.334 1.00 0.00 C ATOM 547 C ILE A 33 -0.202 7.324 -2.045 1.00 0.00 C ATOM 548 O ILE A 33 -0.800 6.250 -2.130 1.00 0.00 O ATOM 549 CB ILE A 33 1.652 7.827 -3.768 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.734 8.039 -5.294 1.00 0.00 C ATOM 551 CG2 ILE A 33 2.190 6.441 -3.374 1.00 0.00 C ATOM 552 CD1 ILE A 33 3.165 8.076 -5.826 1.00 0.00 C ATOM 0 H ILE A 33 0.769 10.089 -3.361 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.455 7.661 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 33 2.289 8.535 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.189 7.238 -5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.235 8.973 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.221 6.342 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.151 6.330 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.579 5.668 -3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.148 8.228 -6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.708 8.894 -5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.662 7.132 -5.600 1.00 0.00 H new ATOM 564 N LEU A 34 0.082 7.877 -0.856 1.00 0.00 N ATOM 565 CA LEU A 34 -0.236 7.227 0.429 1.00 0.00 C ATOM 566 C LEU A 34 -1.739 6.979 0.630 1.00 0.00 C ATOM 567 O LEU A 34 -2.137 5.924 1.126 1.00 0.00 O ATOM 568 CB LEU A 34 0.269 8.064 1.623 1.00 0.00 C ATOM 569 CG LEU A 34 1.778 8.334 1.678 1.00 0.00 C ATOM 570 CD1 LEU A 34 2.117 9.193 2.896 1.00 0.00 C ATOM 571 CD2 LEU A 34 2.603 7.055 1.760 1.00 0.00 C ATOM 0 H LEU A 34 0.537 8.784 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 34 0.274 6.264 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.249 9.023 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.021 7.556 2.543 1.00 0.00 H new ATOM 0 HG LEU A 34 2.029 8.850 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.191 9.377 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.587 10.143 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.815 8.672 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.663 7.307 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.330 6.503 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.407 6.439 0.883 1.00 0.00 H new ATOM 583 N GLU A 35 -2.575 7.943 0.240 1.00 0.00 N ATOM 584 CA GLU A 35 -4.025 7.905 0.381 1.00 0.00 C ATOM 585 C GLU A 35 -4.653 6.736 -0.388 1.00 0.00 C ATOM 586 O GLU A 35 -5.602 6.110 0.088 1.00 0.00 O ATOM 587 CB GLU A 35 -4.552 9.239 -0.152 1.00 0.00 C ATOM 588 CG GLU A 35 -4.721 10.285 0.948 1.00 0.00 C ATOM 589 CD GLU A 35 -6.005 10.057 1.773 1.00 0.00 C ATOM 590 OE1 GLU A 35 -7.093 10.519 1.347 1.00 0.00 O ATOM 591 OE2 GLU A 35 -5.934 9.429 2.856 1.00 0.00 O ATOM 0 H GLU A 35 -2.244 8.802 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.292 7.755 1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.866 9.620 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.511 9.076 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.856 10.257 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.749 11.279 0.501 1.00 0.00 H new ATOM 598 N ASP A 36 -4.099 6.417 -1.560 1.00 0.00 N ATOM 599 CA ASP A 36 -4.527 5.294 -2.375 1.00 0.00 C ATOM 600 C ASP A 36 -4.192 3.944 -1.730 1.00 0.00 C ATOM 601 O ASP A 36 -5.085 3.117 -1.557 1.00 0.00 O ATOM 602 CB ASP A 36 -3.827 5.397 -3.735 1.00 0.00 C ATOM 603 CG ASP A 36 -4.273 6.566 -4.626 1.00 0.00 C ATOM 604 OD1 ASP A 36 -5.452 6.989 -4.567 1.00 0.00 O ATOM 605 OD2 ASP A 36 -3.426 7.022 -5.431 1.00 0.00 O ATOM 0 H ASP A 36 -3.328 6.945 -1.970 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.611 5.339 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.754 5.482 -3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.991 4.467 -4.279 1.00 0.00 H new ATOM 610 N GLU A 37 -2.933 3.702 -1.342 1.00 0.00 N ATOM 611 CA GLU A 37 -2.527 2.385 -0.822 1.00 0.00 C ATOM 612 C GLU A 37 -3.207 2.038 0.523 1.00 0.00 C ATOM 613 O GLU A 37 -3.439 0.862 0.808 1.00 0.00 O ATOM 614 CB GLU A 37 -0.995 2.260 -0.709 1.00 0.00 C ATOM 615 CG GLU A 37 -0.157 2.672 -1.938 1.00 0.00 C ATOM 616 CD GLU A 37 -0.353 1.851 -3.226 1.00 0.00 C ATOM 617 OE1 GLU A 37 -1.427 1.253 -3.488 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.553 1.837 -4.100 1.00 0.00 O ATOM 0 H GLU A 37 -2.183 4.392 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.873 1.655 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.669 2.863 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.758 1.223 -0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.378 3.715 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.896 2.622 -1.662 1.00 0.00 H new ATOM 625 N GLU A 38 -3.580 3.043 1.326 1.00 0.00 N ATOM 626 CA GLU A 38 -4.332 2.877 2.584 1.00 0.00 C ATOM 627 C GLU A 38 -5.734 2.281 2.348 1.00 0.00 C ATOM 628 O GLU A 38 -6.104 1.275 2.952 1.00 0.00 O ATOM 629 CB GLU A 38 -4.424 4.246 3.284 1.00 0.00 C ATOM 630 CG GLU A 38 -4.703 4.181 4.794 1.00 0.00 C ATOM 631 CD GLU A 38 -6.141 3.760 5.166 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.115 4.337 4.623 1.00 0.00 O ATOM 633 OE2 GLU A 38 -6.304 2.883 6.050 1.00 0.00 O ATOM 0 H GLU A 38 -3.364 4.018 1.117 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.802 2.168 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.489 4.783 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.212 4.829 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.004 3.479 5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.501 5.160 5.230 1.00 0.00 H new ATOM 640 N LYS A 39 -6.508 2.865 1.429 1.00 0.00 N ATOM 641 CA LYS A 39 -7.797 2.386 0.954 1.00 0.00 C ATOM 642 C LYS A 39 -7.708 1.082 0.143 1.00 0.00 C ATOM 643 O LYS A 39 -8.540 0.194 0.336 1.00 0.00 O ATOM 644 CB LYS A 39 -8.340 3.571 0.144 1.00 0.00 C ATOM 645 CG LYS A 39 -9.598 3.325 -0.674 1.00 0.00 C ATOM 646 CD LYS A 39 -10.924 3.320 0.106 1.00 0.00 C ATOM 647 CE LYS A 39 -11.129 2.079 0.982 1.00 0.00 C ATOM 648 NZ LYS A 39 -12.407 2.148 1.735 1.00 0.00 N ATOM 0 H LYS A 39 -6.230 3.735 0.974 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.459 2.101 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.539 4.391 0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.555 3.907 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.659 4.090 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.495 2.366 -1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.966 4.208 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.750 3.393 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.122 1.186 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.298 1.985 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.415 1.416 2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.500 3.085 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.203 1.991 1.084 1.00 0.00 H new ATOM 662 N HIS A 40 -6.709 0.927 -0.735 1.00 0.00 N ATOM 663 CA HIS A 40 -6.552 -0.231 -1.620 1.00 0.00 C ATOM 664 C HIS A 40 -6.454 -1.570 -0.885 1.00 0.00 C ATOM 665 O HIS A 40 -6.922 -2.563 -1.413 1.00 0.00 O ATOM 666 CB HIS A 40 -5.257 -0.107 -2.432 1.00 0.00 C ATOM 667 CG HIS A 40 -5.201 0.805 -3.632 1.00 0.00 C ATOM 668 ND1 HIS A 40 -4.117 0.858 -4.532 1.00 0.00 N ATOM 669 CD2 HIS A 40 -6.185 1.654 -4.054 1.00 0.00 C ATOM 670 CE1 HIS A 40 -4.499 1.758 -5.468 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.724 2.244 -5.205 1.00 0.00 N ATOM 0 H HIS A 40 -5.970 1.621 -0.851 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.448 -0.227 -2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.474 0.213 -1.745 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.992 -1.108 -2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.138 1.827 -3.576 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.897 2.048 -6.317 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -6.226 2.933 -5.765 1.00 0.00 H new ATOM 679 N ILE A 41 -5.830 -1.612 0.293 1.00 0.00 N ATOM 680 CA ILE A 41 -5.507 -2.811 1.083 1.00 0.00 C ATOM 681 C ILE A 41 -6.714 -3.276 1.920 1.00 0.00 C ATOM 682 O ILE A 41 -6.822 -4.453 2.261 1.00 0.00 O ATOM 683 CB ILE A 41 -4.238 -2.545 1.934 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.460 -3.847 2.208 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.539 -1.800 3.243 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.114 -3.632 2.909 1.00 0.00 C ATOM 0 H ILE A 41 -5.515 -0.758 0.754 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.283 -3.639 0.411 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.607 -1.887 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.076 -4.505 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.288 -4.361 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.612 -1.644 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.994 -0.836 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.226 -2.391 3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.628 -4.595 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.477 -3.001 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.278 -3.147 3.871 1.00 0.00 H new ATOM 698 N GLU A 42 -7.671 -2.378 2.190 1.00 0.00 N ATOM 699 CA GLU A 42 -9.013 -2.748 2.648 1.00 0.00 C ATOM 700 C GLU A 42 -9.797 -3.399 1.495 1.00 0.00 C ATOM 701 O GLU A 42 -10.303 -4.512 1.649 1.00 0.00 O ATOM 702 CB GLU A 42 -9.737 -1.506 3.198 1.00 0.00 C ATOM 703 CG GLU A 42 -11.082 -1.864 3.842 1.00 0.00 C ATOM 704 CD GLU A 42 -11.771 -0.611 4.415 1.00 0.00 C ATOM 705 OE1 GLU A 42 -12.401 0.140 3.632 1.00 0.00 O ATOM 706 OE2 GLU A 42 -11.692 -0.373 5.644 1.00 0.00 O ATOM 0 H GLU A 42 -7.534 -1.372 2.096 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.940 -3.477 3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.102 -1.013 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.900 -0.794 2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.730 -2.333 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.926 -2.593 4.637 1.00 0.00 H new ATOM 713 N TRP A 43 -9.816 -2.762 0.312 1.00 0.00 N ATOM 714 CA TRP A 43 -10.375 -3.356 -0.912 1.00 0.00 C ATOM 715 C TRP A 43 -9.691 -4.682 -1.296 1.00 0.00 C ATOM 716 O TRP A 43 -10.358 -5.578 -1.815 1.00 0.00 O ATOM 717 CB TRP A 43 -10.291 -2.365 -2.087 1.00 0.00 C ATOM 718 CG TRP A 43 -11.112 -1.107 -2.034 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.224 -0.898 -1.290 1.00 0.00 C ATOM 720 CD2 TRP A 43 -10.948 0.103 -2.843 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.760 0.339 -1.592 1.00 0.00 N ATOM 722 CE2 TRP A 43 -12.031 0.988 -2.562 1.00 0.00 C ATOM 723 CE3 TRP A 43 -10.017 0.531 -3.816 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -12.197 2.215 -3.220 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -10.168 1.763 -4.482 1.00 0.00 C ATOM 726 CH2 TRP A 43 -11.257 2.604 -4.190 1.00 0.00 C ATOM 0 H TRP A 43 -9.444 -1.822 0.178 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.420 -3.578 -0.697 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.247 -2.073 -2.198 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.570 -2.903 -2.993 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.630 -1.593 -0.570 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.595 0.724 -1.150 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.173 -0.099 -4.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.036 2.853 -2.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.442 2.064 -5.223 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.370 3.544 -4.709 1.00 0.00 H new ATOM 737 N LEU A 44 -8.386 -4.833 -1.024 1.00 0.00 N ATOM 738 CA LEU A 44 -7.606 -6.032 -1.333 1.00 0.00 C ATOM 739 C LEU A 44 -8.190 -7.308 -0.709 1.00 0.00 C ATOM 740 O LEU A 44 -8.502 -8.260 -1.420 1.00 0.00 O ATOM 741 CB LEU A 44 -6.191 -5.737 -0.830 1.00 0.00 C ATOM 742 CG LEU A 44 -5.046 -6.552 -1.394 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.751 -6.014 -0.817 1.00 0.00 C ATOM 744 CD2 LEU A 44 -5.149 -8.049 -1.142 1.00 0.00 C ATOM 0 H LEU A 44 -7.834 -4.104 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.619 -6.237 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.980 -4.686 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.189 -5.865 0.252 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.082 -6.445 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.912 -6.587 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.637 -4.966 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.773 -6.101 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.287 -8.552 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.171 -8.237 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.063 -8.432 -1.596 1.00 0.00 H new ATOM 756 N GLU A 45 -8.381 -7.328 0.610 1.00 0.00 N ATOM 757 CA GLU A 45 -8.959 -8.487 1.310 1.00 0.00 C ATOM 758 C GLU A 45 -10.408 -8.761 0.867 1.00 0.00 C ATOM 759 O GLU A 45 -10.795 -9.905 0.617 1.00 0.00 O ATOM 760 CB GLU A 45 -8.880 -8.258 2.825 1.00 0.00 C ATOM 761 CG GLU A 45 -9.025 -9.574 3.599 1.00 0.00 C ATOM 762 CD GLU A 45 -8.804 -9.362 5.110 1.00 0.00 C ATOM 763 OE1 GLU A 45 -9.747 -8.922 5.812 1.00 0.00 O ATOM 764 OE2 GLU A 45 -7.688 -9.647 5.611 1.00 0.00 O ATOM 0 H GLU A 45 -8.143 -6.549 1.225 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.379 -9.372 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.927 -7.791 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.664 -7.566 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.018 -9.991 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.306 -10.301 3.222 1.00 0.00 H new ATOM 771 N THR A 46 -11.191 -7.696 0.677 1.00 0.00 N ATOM 772 CA THR A 46 -12.559 -7.749 0.124 1.00 0.00 C ATOM 773 C THR A 46 -12.638 -8.414 -1.262 1.00 0.00 C ATOM 774 O THR A 46 -13.683 -8.968 -1.605 1.00 0.00 O ATOM 775 CB THR A 46 -13.188 -6.343 0.107 1.00 0.00 C ATOM 776 OG1 THR A 46 -13.204 -5.807 1.414 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.634 -6.286 -0.390 1.00 0.00 C ATOM 0 H THR A 46 -10.891 -6.749 0.907 1.00 0.00 H new ATOM 0 HA THR A 46 -13.138 -8.389 0.790 1.00 0.00 H new ATOM 0 HB THR A 46 -12.565 -5.779 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.338 -5.390 1.607 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.987 -5.255 -0.365 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.682 -6.661 -1.412 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.264 -6.901 0.252 1.00 0.00 H new ATOM 785 N ILE A 47 -11.542 -8.467 -2.039 1.00 0.00 N ATOM 786 CA ILE A 47 -11.472 -9.191 -3.325 1.00 0.00 C ATOM 787 C ILE A 47 -11.543 -10.728 -3.207 1.00 0.00 C ATOM 788 O ILE A 47 -11.609 -11.440 -4.212 1.00 0.00 O ATOM 789 CB ILE A 47 -10.282 -8.667 -4.179 1.00 0.00 C ATOM 790 CG1 ILE A 47 -10.737 -8.281 -5.603 1.00 0.00 C ATOM 791 CG2 ILE A 47 -9.082 -9.629 -4.276 1.00 0.00 C ATOM 792 CD1 ILE A 47 -11.606 -7.016 -5.617 1.00 0.00 C ATOM 0 H ILE A 47 -10.668 -8.003 -1.790 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.388 -8.960 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.934 -7.787 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.860 -8.123 -6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.297 -9.108 -6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.303 -9.178 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.690 -9.823 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.403 -10.567 -4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.900 -6.788 -6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.498 -7.180 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.039 -6.180 -5.207 1.00 0.00 H new ATOM 804 N ASN A 48 -11.572 -11.246 -1.980 1.00 0.00 N ATOM 805 CA ASN A 48 -11.778 -12.664 -1.666 1.00 0.00 C ATOM 806 C ASN A 48 -12.663 -12.946 -0.424 1.00 0.00 C ATOM 807 O ASN A 48 -13.110 -14.081 -0.242 1.00 0.00 O ATOM 808 CB ASN A 48 -10.400 -13.346 -1.572 1.00 0.00 C ATOM 809 CG ASN A 48 -10.222 -14.433 -2.620 1.00 0.00 C ATOM 810 OD1 ASN A 48 -9.990 -15.595 -2.320 1.00 0.00 O ATOM 811 ND2 ASN A 48 -10.328 -14.091 -3.887 1.00 0.00 N ATOM 0 H ASN A 48 -11.449 -10.672 -1.146 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.362 -13.094 -2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.617 -12.597 -1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.278 -13.778 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.217 -14.795 -4.616 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.522 -13.122 -4.139 1.00 0.00 H new ATOM 818 N GLY A 49 -12.966 -11.918 0.374 1.00 0.00 N ATOM 819 CA GLY A 49 -13.883 -11.956 1.525 1.00 0.00 C ATOM 820 C GLY A 49 -13.427 -12.876 2.677 1.00 0.00 C ATOM 821 O GLY A 49 -12.235 -12.844 3.040 1.00 0.00 O ATOM 822 OXT GLY A 49 -14.294 -13.585 3.221 1.00 0.00 O ATOM 0 H GLY A 49 -12.562 -10.992 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.003 -10.944 1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.864 -12.284 1.181 1.00 0.00 H new TER 826 GLY A 49 ATOM 827 N MET B 1 18.513 10.140 -4.329 1.00 0.00 N ATOM 828 CA MET B 1 19.623 9.199 -4.637 1.00 0.00 C ATOM 829 C MET B 1 19.103 7.777 -4.892 1.00 0.00 C ATOM 830 O MET B 1 18.961 7.396 -6.052 1.00 0.00 O ATOM 831 CB MET B 1 20.817 9.287 -3.653 1.00 0.00 C ATOM 832 CG MET B 1 20.563 9.113 -2.142 1.00 0.00 C ATOM 833 SD MET B 1 19.579 10.409 -1.333 1.00 0.00 S ATOM 834 CE MET B 1 19.741 9.892 0.399 1.00 0.00 C ATOM 0 H1 MET B 1 18.580 10.971 -4.951 1.00 0.00 H new ATOM 0 H2 MET B 1 17.601 9.664 -4.484 1.00 0.00 H new ATOM 0 H3 MET B 1 18.581 10.444 -3.337 1.00 0.00 H new ATOM 0 HA MET B 1 20.061 9.529 -5.579 1.00 0.00 H new ATOM 0 HB2 MET B 1 21.544 8.532 -3.952 1.00 0.00 H new ATOM 0 HB3 MET B 1 21.289 10.259 -3.796 1.00 0.00 H new ATOM 0 HG2 MET B 1 20.062 8.157 -1.988 1.00 0.00 H new ATOM 0 HG3 MET B 1 21.528 9.052 -1.638 1.00 0.00 H new ATOM 0 HE1 MET B 1 19.192 10.584 1.038 1.00 0.00 H new ATOM 0 HE2 MET B 1 19.335 8.888 0.518 1.00 0.00 H new ATOM 0 HE3 MET B 1 20.794 9.893 0.682 1.00 0.00 H new ATOM 846 N ASP B 2 18.768 6.999 -3.856 1.00 0.00 N ATOM 847 CA ASP B 2 18.251 5.624 -3.961 1.00 0.00 C ATOM 848 C ASP B 2 17.141 5.397 -2.922 1.00 0.00 C ATOM 849 O ASP B 2 17.400 5.044 -1.768 1.00 0.00 O ATOM 850 CB ASP B 2 19.388 4.596 -3.815 1.00 0.00 C ATOM 851 CG ASP B 2 20.075 4.306 -5.158 1.00 0.00 C ATOM 852 OD1 ASP B 2 19.450 3.620 -6.003 1.00 0.00 O ATOM 853 OD2 ASP B 2 21.234 4.738 -5.361 1.00 0.00 O ATOM 0 H ASP B 2 18.851 7.316 -2.890 1.00 0.00 H new ATOM 0 HA ASP B 2 17.819 5.485 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP B 2 20.125 4.969 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP B 2 18.988 3.669 -3.404 1.00 0.00 H new ATOM 858 N TYR B 3 15.896 5.652 -3.335 1.00 0.00 N ATOM 859 CA TYR B 3 14.697 5.490 -2.501 1.00 0.00 C ATOM 860 C TYR B 3 13.478 5.089 -3.347 1.00 0.00 C ATOM 861 O TYR B 3 12.898 4.016 -3.175 1.00 0.00 O ATOM 862 CB TYR B 3 14.449 6.811 -1.748 1.00 0.00 C ATOM 863 CG TYR B 3 13.632 6.641 -0.494 1.00 0.00 C ATOM 864 CD1 TYR B 3 14.251 6.135 0.664 1.00 0.00 C ATOM 865 CD2 TYR B 3 12.276 7.013 -0.477 1.00 0.00 C ATOM 866 CE1 TYR B 3 13.515 6.016 1.855 1.00 0.00 C ATOM 867 CE2 TYR B 3 11.540 6.897 0.714 1.00 0.00 C ATOM 868 CZ TYR B 3 12.162 6.406 1.882 1.00 0.00 C ATOM 869 OH TYR B 3 11.469 6.311 3.042 1.00 0.00 O ATOM 0 H TYR B 3 15.687 5.983 -4.277 1.00 0.00 H new ATOM 0 HA TYR B 3 14.854 4.684 -1.784 1.00 0.00 H new ATOM 0 HB2 TYR B 3 15.409 7.259 -1.490 1.00 0.00 H new ATOM 0 HB3 TYR B 3 13.940 7.509 -2.412 1.00 0.00 H new ATOM 0 HD1 TYR B 3 15.289 5.839 0.637 1.00 0.00 H new ATOM 0 HD2 TYR B 3 11.803 7.386 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR B 3 13.985 5.627 2.746 1.00 0.00 H new ATOM 0 HE2 TYR B 3 10.499 7.183 0.736 1.00 0.00 H new ATOM 0 HH TYR B 3 11.604 5.422 3.432 1.00 0.00 H new ATOM 879 N LEU B 4 13.164 5.906 -4.357 1.00 0.00 N ATOM 880 CA LEU B 4 12.161 5.653 -5.387 1.00 0.00 C ATOM 881 C LEU B 4 12.436 4.407 -6.246 1.00 0.00 C ATOM 882 O LEU B 4 11.507 3.849 -6.816 1.00 0.00 O ATOM 883 CB LEU B 4 12.054 6.944 -6.217 1.00 0.00 C ATOM 884 CG LEU B 4 13.275 7.198 -7.122 1.00 0.00 C ATOM 885 CD1 LEU B 4 13.073 6.676 -8.545 1.00 0.00 C ATOM 886 CD2 LEU B 4 13.613 8.685 -7.205 1.00 0.00 C ATOM 0 H LEU B 4 13.628 6.806 -4.481 1.00 0.00 H new ATOM 0 HA LEU B 4 11.208 5.411 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.158 6.895 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU B 4 11.930 7.791 -5.542 1.00 0.00 H new ATOM 0 HG LEU B 4 14.096 6.652 -6.658 1.00 0.00 H new ATOM 0 HD11 LEU B 4 13.964 6.882 -9.138 1.00 0.00 H new ATOM 0 HD12 LEU B 4 12.897 5.601 -8.517 1.00 0.00 H new ATOM 0 HD13 LEU B 4 12.214 7.173 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU B 4 14.479 8.826 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU B 4 12.762 9.229 -7.615 1.00 0.00 H new ATOM 0 HD23 LEU B 4 13.839 9.063 -6.208 1.00 0.00 H new ATOM 898 N ARG B 5 13.684 3.933 -6.344 1.00 0.00 N ATOM 899 CA ARG B 5 14.013 2.701 -7.077 1.00 0.00 C ATOM 900 C ARG B 5 13.381 1.460 -6.442 1.00 0.00 C ATOM 901 O ARG B 5 12.814 0.643 -7.162 1.00 0.00 O ATOM 902 CB ARG B 5 15.546 2.615 -7.211 1.00 0.00 C ATOM 903 CG ARG B 5 16.039 1.307 -7.843 1.00 0.00 C ATOM 904 CD ARG B 5 17.535 1.362 -8.188 1.00 0.00 C ATOM 905 NE ARG B 5 17.773 2.079 -9.458 1.00 0.00 N ATOM 906 CZ ARG B 5 18.384 3.235 -9.651 1.00 0.00 C ATOM 907 NH1 ARG B 5 18.917 3.942 -8.697 1.00 0.00 N ATOM 908 NH2 ARG B 5 18.473 3.722 -10.856 1.00 0.00 N ATOM 0 H ARG B 5 14.492 4.389 -5.920 1.00 0.00 H new ATOM 0 HA ARG B 5 13.580 2.736 -8.077 1.00 0.00 H new ATOM 0 HB2 ARG B 5 15.897 3.453 -7.813 1.00 0.00 H new ATOM 0 HB3 ARG B 5 15.994 2.722 -6.223 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.856 0.481 -7.156 1.00 0.00 H new ATOM 0 HG3 ARG B 5 15.466 1.103 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG B 5 18.077 1.857 -7.382 1.00 0.00 H new ATOM 0 HD3 ARG B 5 17.930 0.349 -8.262 1.00 0.00 H new ATOM 0 HE ARG B 5 17.419 1.621 -10.298 1.00 0.00 H new ATOM 0 HH11 ARG B 5 18.877 3.611 -7.733 1.00 0.00 H new ATOM 0 HH12 ARG B 5 19.375 4.827 -8.913 1.00 0.00 H new ATOM 0 HH21 ARG B 5 18.073 3.212 -11.643 1.00 0.00 H new ATOM 0 HH22 ARG B 5 18.943 4.614 -11.012 1.00 0.00 H new ATOM 922 N GLU B 6 13.391 1.337 -5.116 1.00 0.00 N ATOM 923 CA GLU B 6 12.684 0.285 -4.402 1.00 0.00 C ATOM 924 C GLU B 6 11.159 0.423 -4.535 1.00 0.00 C ATOM 925 O GLU B 6 10.470 -0.585 -4.676 1.00 0.00 O ATOM 926 CB GLU B 6 13.125 0.359 -2.938 1.00 0.00 C ATOM 927 CG GLU B 6 14.420 -0.424 -2.696 1.00 0.00 C ATOM 928 CD GLU B 6 14.769 -0.478 -1.196 1.00 0.00 C ATOM 929 OE1 GLU B 6 15.464 0.438 -0.695 1.00 0.00 O ATOM 930 OE2 GLU B 6 14.364 -1.450 -0.510 1.00 0.00 O ATOM 0 H GLU B 6 13.898 1.975 -4.503 1.00 0.00 H new ATOM 0 HA GLU B 6 12.930 -0.687 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.271 1.401 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.335 -0.037 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU B 6 14.313 -1.437 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.238 0.042 -3.245 1.00 0.00 H new ATOM 937 N LEU B 7 10.632 1.654 -4.568 1.00 0.00 N ATOM 938 CA LEU B 7 9.220 1.920 -4.875 1.00 0.00 C ATOM 939 C LEU B 7 8.847 1.448 -6.282 1.00 0.00 C ATOM 940 O LEU B 7 7.901 0.683 -6.427 1.00 0.00 O ATOM 941 CB LEU B 7 8.918 3.419 -4.705 1.00 0.00 C ATOM 942 CG LEU B 7 8.946 3.931 -3.262 1.00 0.00 C ATOM 943 CD1 LEU B 7 8.970 5.459 -3.160 1.00 0.00 C ATOM 944 CD2 LEU B 7 7.682 3.452 -2.575 1.00 0.00 C ATOM 0 H LEU B 7 11.175 2.497 -4.382 1.00 0.00 H new ATOM 0 HA LEU B 7 8.610 1.352 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.642 3.987 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.935 3.625 -5.128 1.00 0.00 H new ATOM 0 HG LEU B 7 9.858 3.552 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU B 7 8.989 5.753 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU B 7 9.859 5.843 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.079 5.869 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.674 3.802 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.811 3.846 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.651 2.363 -2.589 1.00 0.00 H new ATOM 956 N TYR B 8 9.599 1.830 -7.314 1.00 0.00 N ATOM 957 CA TYR B 8 9.431 1.317 -8.682 1.00 0.00 C ATOM 958 C TYR B 8 9.437 -0.209 -8.751 1.00 0.00 C ATOM 959 O TYR B 8 8.493 -0.824 -9.251 1.00 0.00 O ATOM 960 CB TYR B 8 10.530 1.907 -9.571 1.00 0.00 C ATOM 961 CG TYR B 8 10.138 2.082 -11.028 1.00 0.00 C ATOM 962 CD1 TYR B 8 10.078 0.967 -11.889 1.00 0.00 C ATOM 963 CD2 TYR B 8 9.830 3.364 -11.526 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.712 1.135 -13.239 1.00 0.00 C ATOM 965 CE2 TYR B 8 9.448 3.533 -12.869 1.00 0.00 C ATOM 966 CZ TYR B 8 9.384 2.419 -13.731 1.00 0.00 C ATOM 967 OH TYR B 8 9.008 2.590 -15.029 1.00 0.00 O ATOM 0 H TYR B 8 10.352 2.512 -7.227 1.00 0.00 H new ATOM 0 HA TYR B 8 8.450 1.628 -9.040 1.00 0.00 H new ATOM 0 HB2 TYR B 8 10.824 2.876 -9.168 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.407 1.262 -9.519 1.00 0.00 H new ATOM 0 HD1 TYR B 8 10.313 -0.018 -11.513 1.00 0.00 H new ATOM 0 HD2 TYR B 8 9.888 4.222 -10.872 1.00 0.00 H new ATOM 0 HE1 TYR B 8 9.682 0.281 -13.899 1.00 0.00 H new ATOM 0 HE2 TYR B 8 9.203 4.517 -13.240 1.00 0.00 H new ATOM 0 HH TYR B 8 8.819 3.538 -15.193 1.00 0.00 H new ATOM 977 N LYS B 9 10.472 -0.822 -8.175 1.00 0.00 N ATOM 978 CA LYS B 9 10.604 -2.290 -8.062 1.00 0.00 C ATOM 979 C LYS B 9 9.590 -2.968 -7.116 1.00 0.00 C ATOM 980 O LYS B 9 9.619 -4.191 -6.974 1.00 0.00 O ATOM 981 CB LYS B 9 12.068 -2.699 -7.782 1.00 0.00 C ATOM 982 CG LYS B 9 12.947 -2.761 -9.050 1.00 0.00 C ATOM 983 CD LYS B 9 13.447 -1.397 -9.553 1.00 0.00 C ATOM 984 CE LYS B 9 14.359 -1.514 -10.784 1.00 0.00 C ATOM 985 NZ LYS B 9 13.605 -1.804 -12.034 1.00 0.00 N ATOM 0 H LYS B 9 11.256 -0.314 -7.766 1.00 0.00 H new ATOM 0 HA LYS B 9 10.330 -2.684 -9.040 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.507 -1.989 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.077 -3.675 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.809 -3.396 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.378 -3.240 -9.847 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.590 -0.770 -9.799 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.989 -0.896 -8.751 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.916 -0.585 -10.908 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.091 -2.304 -10.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 14.269 -1.872 -12.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.094 -2.704 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.925 -1.038 -12.214 1.00 0.00 H new ATOM 999 N LEU B 10 8.637 -2.218 -6.556 1.00 0.00 N ATOM 1000 CA LEU B 10 7.394 -2.733 -5.967 1.00 0.00 C ATOM 1001 C LEU B 10 6.177 -2.410 -6.849 1.00 0.00 C ATOM 1002 O LEU B 10 5.450 -3.320 -7.232 1.00 0.00 O ATOM 1003 CB LEU B 10 7.199 -2.118 -4.564 1.00 0.00 C ATOM 1004 CG LEU B 10 8.142 -2.629 -3.463 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.035 -1.701 -2.249 1.00 0.00 C ATOM 1006 CD2 LEU B 10 7.773 -4.047 -3.022 1.00 0.00 C ATOM 0 H LEU B 10 8.710 -1.202 -6.497 1.00 0.00 H new ATOM 0 HA LEU B 10 7.475 -3.817 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.319 -1.038 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.172 -2.302 -4.249 1.00 0.00 H new ATOM 0 HG LEU B 10 9.156 -2.642 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU B 10 8.700 -2.054 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.320 -0.689 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.008 -1.698 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU B 10 8.460 -4.376 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU B 10 6.754 -4.054 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU B 10 7.841 -4.722 -3.875 1.00 0.00 H new ATOM 1018 N GLU B 11 5.949 -1.144 -7.203 1.00 0.00 N ATOM 1019 CA GLU B 11 4.721 -0.670 -7.863 1.00 0.00 C ATOM 1020 C GLU B 11 4.571 -1.234 -9.292 1.00 0.00 C ATOM 1021 O GLU B 11 3.462 -1.553 -9.718 1.00 0.00 O ATOM 1022 CB GLU B 11 4.717 0.873 -7.874 1.00 0.00 C ATOM 1023 CG GLU B 11 4.671 1.538 -6.478 1.00 0.00 C ATOM 1024 CD GLU B 11 3.259 1.934 -6.026 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.308 1.167 -5.808 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.844 3.098 -5.854 1.00 0.00 O ATOM 0 H GLU B 11 6.626 -0.399 -7.037 1.00 0.00 H new ATOM 0 HA GLU B 11 3.864 -1.035 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.609 1.220 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU B 11 3.858 1.215 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.098 0.853 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.302 2.427 -6.489 1.00 0.00 H new ATOM 1033 N GLN B 12 5.673 -1.428 -10.027 1.00 0.00 N ATOM 1034 CA GLN B 12 5.677 -2.068 -11.347 1.00 0.00 C ATOM 1035 C GLN B 12 5.652 -3.597 -11.283 1.00 0.00 C ATOM 1036 O GLN B 12 4.992 -4.242 -12.101 1.00 0.00 O ATOM 1037 CB GLN B 12 6.921 -1.597 -12.110 1.00 0.00 C ATOM 1038 CG GLN B 12 6.515 -0.894 -13.397 1.00 0.00 C ATOM 1039 CD GLN B 12 6.161 -1.842 -14.546 1.00 0.00 C ATOM 1040 OE1 GLN B 12 6.814 -2.847 -14.796 1.00 0.00 O ATOM 1041 NE2 GLN B 12 5.112 -1.566 -15.292 1.00 0.00 N ATOM 0 H GLN B 12 6.601 -1.140 -9.716 1.00 0.00 H new ATOM 0 HA GLN B 12 4.762 -1.773 -11.860 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.504 -0.920 -11.486 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.560 -2.450 -12.339 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.657 -0.253 -13.193 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.330 -0.244 -13.715 1.00 0.00 H new ATOM 0 HE21 GLN B 12 4.555 -0.734 -15.100 1.00 0.00 H new ATOM 0 HE22 GLN B 12 4.857 -2.185 -16.062 1.00 0.00 H new ATOM 1050 N GLN B 13 6.310 -4.173 -10.273 1.00 0.00 N ATOM 1051 CA GLN B 13 6.171 -5.585 -9.913 1.00 0.00 C ATOM 1052 C GLN B 13 4.694 -5.929 -9.663 1.00 0.00 C ATOM 1053 O GLN B 13 4.165 -6.884 -10.230 1.00 0.00 O ATOM 1054 CB GLN B 13 7.072 -5.883 -8.712 1.00 0.00 C ATOM 1055 CG GLN B 13 8.328 -6.692 -9.082 1.00 0.00 C ATOM 1056 CD GLN B 13 8.068 -8.150 -9.470 1.00 0.00 C ATOM 1057 OE1 GLN B 13 6.970 -8.684 -9.378 1.00 0.00 O ATOM 1058 NE2 GLN B 13 9.080 -8.860 -9.925 1.00 0.00 N ATOM 0 H GLN B 13 6.962 -3.665 -9.676 1.00 0.00 H new ATOM 0 HA GLN B 13 6.496 -6.224 -10.734 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.376 -4.943 -8.252 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.500 -6.433 -7.965 1.00 0.00 H new ATOM 0 HG2 GLN B 13 8.830 -6.195 -9.912 1.00 0.00 H new ATOM 0 HG3 GLN B 13 9.016 -6.674 -8.236 1.00 0.00 H new ATOM 0 HE21 GLN B 13 10.004 -8.435 -10.010 1.00 0.00 H new ATOM 0 HE22 GLN B 13 8.940 -9.834 -10.192 1.00 0.00 H new ATOM 1067 N ALA B 14 3.997 -5.069 -8.917 1.00 0.00 N ATOM 1068 CA ALA B 14 2.556 -5.124 -8.737 1.00 0.00 C ATOM 1069 C ALA B 14 1.787 -4.942 -10.050 1.00 0.00 C ATOM 1070 O ALA B 14 0.919 -5.753 -10.340 1.00 0.00 O ATOM 1071 CB ALA B 14 2.146 -4.065 -7.719 1.00 0.00 C ATOM 0 H ALA B 14 4.435 -4.299 -8.412 1.00 0.00 H new ATOM 0 HA ALA B 14 2.298 -6.118 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.066 -4.097 -7.576 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.644 -4.261 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.435 -3.079 -8.083 1.00 0.00 H new ATOM 1077 N MET B 15 2.101 -3.933 -10.873 1.00 0.00 N ATOM 1078 CA MET B 15 1.386 -3.676 -12.136 1.00 0.00 C ATOM 1079 C MET B 15 1.354 -4.895 -13.077 1.00 0.00 C ATOM 1080 O MET B 15 0.307 -5.220 -13.646 1.00 0.00 O ATOM 1081 CB MET B 15 1.981 -2.442 -12.831 1.00 0.00 C ATOM 1082 CG MET B 15 1.173 -2.005 -14.062 1.00 0.00 C ATOM 1083 SD MET B 15 -0.611 -1.737 -13.818 1.00 0.00 S ATOM 1084 CE MET B 15 -0.594 -0.438 -12.554 1.00 0.00 C ATOM 0 H MET B 15 2.855 -3.272 -10.686 1.00 0.00 H new ATOM 0 HA MET B 15 0.344 -3.477 -11.884 1.00 0.00 H new ATOM 0 HB2 MET B 15 2.026 -1.617 -12.120 1.00 0.00 H new ATOM 0 HB3 MET B 15 3.006 -2.659 -13.133 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.607 -1.080 -14.443 1.00 0.00 H new ATOM 0 HG3 MET B 15 1.300 -2.760 -14.838 1.00 0.00 H new ATOM 0 HE1 MET B 15 -1.617 -0.141 -12.324 1.00 0.00 H new ATOM 0 HE2 MET B 15 -0.114 -0.815 -11.651 1.00 0.00 H new ATOM 0 HE3 MET B 15 -0.040 0.424 -12.926 1.00 0.00 H new ATOM 1094 N LYS B 16 2.470 -5.628 -13.188 1.00 0.00 N ATOM 1095 CA LYS B 16 2.557 -6.873 -13.972 1.00 0.00 C ATOM 1096 C LYS B 16 1.647 -7.990 -13.453 1.00 0.00 C ATOM 1097 O LYS B 16 1.099 -8.750 -14.247 1.00 0.00 O ATOM 1098 CB LYS B 16 4.018 -7.340 -14.014 1.00 0.00 C ATOM 1099 CG LYS B 16 4.823 -6.471 -14.991 1.00 0.00 C ATOM 1100 CD LYS B 16 6.312 -6.826 -14.971 1.00 0.00 C ATOM 1101 CE LYS B 16 7.031 -6.017 -16.057 1.00 0.00 C ATOM 1102 NZ LYS B 16 8.500 -6.235 -16.027 1.00 0.00 N ATOM 0 H LYS B 16 3.347 -5.373 -12.733 1.00 0.00 H new ATOM 0 HA LYS B 16 2.201 -6.648 -14.977 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.455 -7.281 -13.017 1.00 0.00 H new ATOM 0 HB3 LYS B 16 4.065 -8.385 -14.321 1.00 0.00 H new ATOM 0 HG2 LYS B 16 4.432 -6.600 -16.000 1.00 0.00 H new ATOM 0 HG3 LYS B 16 4.696 -5.420 -14.732 1.00 0.00 H new ATOM 0 HD2 LYS B 16 6.739 -6.606 -13.992 1.00 0.00 H new ATOM 0 HD3 LYS B 16 6.447 -7.894 -15.145 1.00 0.00 H new ATOM 0 HE2 LYS B 16 6.642 -6.297 -17.036 1.00 0.00 H new ATOM 0 HE3 LYS B 16 6.818 -4.957 -15.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 8.950 -5.671 -16.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 8.875 -5.944 -15.102 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 8.705 -7.243 -16.182 1.00 0.00 H new ATOM 1116 N LEU B 17 1.445 -8.072 -12.139 1.00 0.00 N ATOM 1117 CA LEU B 17 0.549 -9.020 -11.483 1.00 0.00 C ATOM 1118 C LEU B 17 -0.897 -8.557 -11.511 1.00 0.00 C ATOM 1119 O LEU B 17 -1.816 -9.369 -11.573 1.00 0.00 O ATOM 1120 CB LEU B 17 0.972 -9.136 -10.024 1.00 0.00 C ATOM 1121 CG LEU B 17 2.376 -9.714 -9.912 1.00 0.00 C ATOM 1122 CD1 LEU B 17 2.847 -9.540 -8.476 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.419 -11.176 -10.354 1.00 0.00 C ATOM 0 H LEU B 17 1.919 -7.456 -11.478 1.00 0.00 H new ATOM 0 HA LEU B 17 0.615 -9.970 -12.013 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.940 -8.154 -9.552 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.268 -9.771 -9.486 1.00 0.00 H new ATOM 0 HG LEU B 17 3.050 -9.180 -10.582 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.853 -9.947 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.857 -8.480 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.170 -10.068 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.437 -11.555 -10.260 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.753 -11.766 -9.725 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.098 -11.252 -11.393 1.00 0.00 H new ATOM 1135 N TYR B 18 -1.087 -7.245 -11.489 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.385 -6.622 -11.581 1.00 0.00 C ATOM 1137 C TYR B 18 -3.020 -6.871 -12.952 1.00 0.00 C ATOM 1138 O TYR B 18 -4.200 -7.231 -12.975 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.282 -5.139 -11.215 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.385 -4.793 -9.730 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.434 -5.308 -8.940 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.454 -3.911 -9.141 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.523 -4.990 -7.568 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.543 -3.588 -7.772 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.569 -4.136 -6.976 1.00 0.00 C ATOM 1146 OH TYR B 18 -2.631 -3.823 -5.650 1.00 0.00 O ATOM 0 H TYR B 18 -0.322 -6.576 -11.405 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.060 -7.079 -10.857 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.330 -4.761 -11.588 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.068 -4.602 -11.746 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.176 -5.952 -9.389 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.668 -3.481 -9.744 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.323 -5.401 -6.970 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.821 -2.917 -7.330 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.782 -3.422 -5.369 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.277 -6.824 -14.080 1.00 0.00 N ATOM 1157 CA ARG B 19 -2.848 -7.361 -15.336 1.00 0.00 C ATOM 1158 C ARG B 19 -3.044 -8.893 -15.352 1.00 0.00 C ATOM 1159 O ARG B 19 -3.876 -9.383 -16.112 1.00 0.00 O ATOM 1160 CB ARG B 19 -2.068 -6.853 -16.555 1.00 0.00 C ATOM 1161 CG ARG B 19 -0.634 -7.386 -16.642 1.00 0.00 C ATOM 1162 CD ARG B 19 0.038 -6.872 -17.915 1.00 0.00 C ATOM 1163 NE ARG B 19 1.366 -7.485 -18.103 1.00 0.00 N ATOM 1164 CZ ARG B 19 2.211 -7.227 -19.084 1.00 0.00 C ATOM 1165 NH1 ARG B 19 1.960 -6.325 -19.994 1.00 0.00 N ATOM 1166 NH2 ARG B 19 3.334 -7.878 -19.175 1.00 0.00 N ATOM 0 H ARG B 19 -1.333 -6.443 -14.150 1.00 0.00 H new ATOM 0 HA ARG B 19 -3.863 -6.967 -15.393 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -2.605 -7.135 -17.461 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -2.039 -5.764 -16.527 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.066 -7.069 -15.767 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -0.642 -8.476 -16.639 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.592 -7.093 -18.776 1.00 0.00 H new ATOM 0 HD3 ARG B 19 0.139 -5.788 -17.863 1.00 0.00 H new ATOM 0 HE ARG B 19 1.659 -8.173 -17.410 1.00 0.00 H new ATOM 0 HH11 ARG B 19 1.089 -5.795 -19.960 1.00 0.00 H new ATOM 0 HH12 ARG B 19 2.635 -6.150 -20.739 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.566 -8.593 -18.486 1.00 0.00 H new ATOM 0 HH22 ARG B 19 3.982 -7.673 -19.936 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.317 -9.651 -14.523 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.366 -11.127 -14.481 1.00 0.00 C ATOM 1182 C GLU B 20 -3.584 -11.670 -13.713 1.00 0.00 C ATOM 1183 O GLU B 20 -4.451 -12.320 -14.294 1.00 0.00 O ATOM 1184 CB GLU B 20 -1.074 -11.668 -13.834 1.00 0.00 C ATOM 1185 CG GLU B 20 -0.755 -13.125 -14.198 1.00 0.00 C ATOM 1186 CD GLU B 20 -0.297 -13.277 -15.662 1.00 0.00 C ATOM 1187 OE1 GLU B 20 0.919 -13.135 -15.941 1.00 0.00 O ATOM 1188 OE2 GLU B 20 -1.146 -13.555 -16.543 1.00 0.00 O ATOM 0 H GLU B 20 -1.664 -9.253 -13.848 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.458 -11.469 -15.512 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.238 -11.038 -14.136 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.161 -11.586 -12.751 1.00 0.00 H new ATOM 0 HG2 GLU B 20 0.025 -13.500 -13.535 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -1.639 -13.741 -14.031 1.00 0.00 H new ATOM 1195 N ALA B 21 -3.664 -11.391 -12.409 1.00 0.00 N ATOM 1196 CA ALA B 21 -4.715 -11.914 -11.521 1.00 0.00 C ATOM 1197 C ALA B 21 -6.130 -11.423 -11.895 1.00 0.00 C ATOM 1198 O ALA B 21 -7.108 -12.122 -11.625 1.00 0.00 O ATOM 1199 CB ALA B 21 -4.357 -11.627 -10.052 1.00 0.00 C ATOM 0 H ALA B 21 -2.994 -10.788 -11.931 1.00 0.00 H new ATOM 0 HA ALA B 21 -4.753 -12.995 -11.658 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -5.141 -12.018 -9.403 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.410 -12.108 -9.808 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -4.266 -10.551 -9.903 1.00 0.00 H new ATOM 1205 N SER B 22 -6.256 -10.289 -12.596 1.00 0.00 N ATOM 1206 CA SER B 22 -7.525 -9.822 -13.185 1.00 0.00 C ATOM 1207 C SER B 22 -8.197 -10.884 -14.063 1.00 0.00 C ATOM 1208 O SER B 22 -9.395 -11.140 -13.943 1.00 0.00 O ATOM 1209 CB SER B 22 -7.264 -8.581 -14.037 1.00 0.00 C ATOM 1210 OG SER B 22 -8.452 -7.821 -14.174 1.00 0.00 O ATOM 0 H SER B 22 -5.473 -9.660 -12.774 1.00 0.00 H new ATOM 0 HA SER B 22 -8.197 -9.599 -12.356 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.486 -7.972 -13.577 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.898 -8.877 -15.020 1.00 0.00 H new ATOM 0 HG SER B 22 -8.272 -7.028 -14.720 1.00 0.00 H new ATOM 1216 N GLU B 23 -7.398 -11.574 -14.881 1.00 0.00 N ATOM 1217 CA GLU B 23 -7.830 -12.660 -15.785 1.00 0.00 C ATOM 1218 C GLU B 23 -8.318 -13.938 -15.063 1.00 0.00 C ATOM 1219 O GLU B 23 -8.856 -14.841 -15.712 1.00 0.00 O ATOM 1220 CB GLU B 23 -6.687 -13.025 -16.755 1.00 0.00 C ATOM 1221 CG GLU B 23 -6.213 -11.877 -17.658 1.00 0.00 C ATOM 1222 CD GLU B 23 -7.246 -11.547 -18.758 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -8.143 -10.702 -18.526 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -7.162 -12.132 -19.865 1.00 0.00 O ATOM 0 H GLU B 23 -6.396 -11.391 -14.939 1.00 0.00 H new ATOM 0 HA GLU B 23 -8.691 -12.267 -16.325 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -5.838 -13.385 -16.174 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -7.015 -13.852 -17.385 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -6.032 -10.989 -17.052 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -5.264 -12.147 -18.120 1.00 0.00 H new ATOM 1231 N ARG B 24 -8.158 -14.024 -13.732 1.00 0.00 N ATOM 1232 CA ARG B 24 -8.514 -15.186 -12.891 1.00 0.00 C ATOM 1233 C ARG B 24 -9.453 -14.854 -11.720 1.00 0.00 C ATOM 1234 O ARG B 24 -10.109 -15.760 -11.205 1.00 0.00 O ATOM 1235 CB ARG B 24 -7.215 -15.868 -12.403 1.00 0.00 C ATOM 1236 CG ARG B 24 -6.947 -17.212 -13.102 1.00 0.00 C ATOM 1237 CD ARG B 24 -7.815 -18.356 -12.555 1.00 0.00 C ATOM 1238 NE ARG B 24 -7.380 -18.774 -11.205 1.00 0.00 N ATOM 1239 CZ ARG B 24 -7.994 -19.620 -10.399 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -9.124 -20.189 -10.713 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -7.473 -19.921 -9.243 1.00 0.00 N ATOM 0 H ARG B 24 -7.762 -13.257 -13.188 1.00 0.00 H new ATOM 0 HA ARG B 24 -9.089 -15.872 -13.513 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -6.372 -15.199 -12.577 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.277 -16.030 -11.327 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -7.131 -17.103 -14.171 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -5.895 -17.473 -12.985 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -8.857 -18.038 -12.519 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -7.765 -19.208 -13.234 1.00 0.00 H new ATOM 0 HE ARG B 24 -6.512 -18.365 -10.859 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -9.565 -19.986 -11.610 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -9.567 -20.837 -10.062 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -6.588 -19.502 -8.958 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -7.951 -20.575 -8.623 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.562 -13.579 -11.338 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.425 -13.089 -10.241 1.00 0.00 C ATOM 1257 C VAL B 25 -11.611 -12.264 -10.764 1.00 0.00 C ATOM 1258 O VAL B 25 -12.731 -12.428 -10.279 1.00 0.00 O ATOM 1259 CB VAL B 25 -9.588 -12.284 -9.226 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -10.417 -11.733 -8.062 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -8.470 -13.143 -8.619 1.00 0.00 C ATOM 0 H VAL B 25 -9.039 -12.830 -11.793 1.00 0.00 H new ATOM 0 HA VAL B 25 -10.848 -13.957 -9.735 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.178 -11.452 -9.799 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -9.769 -11.177 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -11.191 -11.070 -8.448 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -10.882 -12.559 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -7.898 -12.547 -7.908 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -8.907 -13.999 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -7.809 -13.494 -9.412 1.00 0.00 H new ATOM 1271 N GLY B 26 -11.400 -11.420 -11.782 1.00 0.00 N ATOM 1272 CA GLY B 26 -12.451 -10.693 -12.513 1.00 0.00 C ATOM 1273 C GLY B 26 -13.234 -9.609 -11.748 1.00 0.00 C ATOM 1274 O GLY B 26 -14.158 -9.027 -12.320 1.00 0.00 O ATOM 0 H GLY B 26 -10.464 -11.216 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -11.992 -10.224 -13.383 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.168 -11.425 -12.886 1.00 0.00 H new ATOM 1278 N ASP B 27 -12.914 -9.325 -10.481 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.615 -8.309 -9.676 1.00 0.00 C ATOM 1280 C ASP B 27 -13.403 -6.871 -10.206 1.00 0.00 C ATOM 1281 O ASP B 27 -12.298 -6.526 -10.639 1.00 0.00 O ATOM 1282 CB ASP B 27 -13.178 -8.396 -8.202 1.00 0.00 C ATOM 1283 CG ASP B 27 -14.010 -9.424 -7.414 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -15.242 -9.227 -7.289 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -13.437 -10.411 -6.897 1.00 0.00 O ATOM 0 H ASP B 27 -12.159 -9.793 -9.980 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.680 -8.527 -9.757 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.124 -8.668 -8.152 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.277 -7.416 -7.736 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.422 -5.989 -10.137 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.328 -4.634 -10.677 1.00 0.00 C ATOM 1292 C PRO B 28 -13.403 -3.719 -9.862 1.00 0.00 C ATOM 1293 O PRO B 28 -12.710 -2.885 -10.442 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.769 -4.110 -10.714 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.469 -4.890 -9.602 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.766 -6.245 -9.632 1.00 0.00 C ATOM 0 HA PRO B 28 -13.874 -4.646 -11.668 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.809 -3.036 -10.535 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.235 -4.289 -11.683 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.358 -4.400 -8.635 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.538 -4.987 -9.789 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.731 -6.689 -8.637 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.298 -6.946 -10.275 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.333 -3.876 -8.532 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.459 -3.041 -7.681 1.00 0.00 C ATOM 1306 C VAL B 29 -10.966 -3.369 -7.855 1.00 0.00 C ATOM 1307 O VAL B 29 -10.125 -2.482 -7.724 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.925 -3.063 -6.209 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -12.639 -4.378 -5.480 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -12.314 -1.914 -5.400 1.00 0.00 C ATOM 0 H VAL B 29 -13.871 -4.574 -8.018 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.560 -2.012 -8.025 1.00 0.00 H new ATOM 0 HB VAL B 29 -14.007 -2.947 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.997 -4.310 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -13.150 -5.195 -5.989 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.566 -4.567 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.667 -1.966 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -11.227 -1.996 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -12.612 -0.962 -5.838 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.615 -4.599 -8.256 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.260 -4.998 -8.622 1.00 0.00 C ATOM 1322 C LEU B 30 -8.813 -4.277 -9.906 1.00 0.00 C ATOM 1323 O LEU B 30 -7.736 -3.681 -9.960 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.317 -6.527 -8.789 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.054 -7.174 -9.350 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -6.828 -6.948 -8.466 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -8.267 -8.680 -9.511 1.00 0.00 C ATOM 0 H LEU B 30 -11.289 -5.361 -8.335 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.523 -4.724 -7.867 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -9.532 -6.973 -7.818 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -10.152 -6.773 -9.445 1.00 0.00 H new ATOM 0 HG LEU B 30 -7.865 -6.701 -10.314 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -5.961 -7.431 -8.916 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -6.639 -5.879 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -7.008 -7.373 -7.479 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -7.361 -9.135 -9.912 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -8.496 -9.121 -8.541 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -9.096 -8.859 -10.195 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.687 -4.272 -10.913 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.511 -3.482 -12.135 1.00 0.00 C ATOM 1341 C ALA B 31 -9.473 -1.958 -11.868 1.00 0.00 C ATOM 1342 O ALA B 31 -8.714 -1.232 -12.514 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.615 -3.861 -13.128 1.00 0.00 C ATOM 0 H ALA B 31 -10.546 -4.821 -10.904 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.537 -3.719 -12.563 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.497 -3.280 -14.043 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.546 -4.924 -13.361 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.589 -3.649 -12.687 1.00 0.00 H new ATOM 1349 N LYS B 32 -10.241 -1.459 -10.888 1.00 0.00 N ATOM 1350 CA LYS B 32 -10.215 -0.045 -10.468 1.00 0.00 C ATOM 1351 C LYS B 32 -8.908 0.363 -9.770 1.00 0.00 C ATOM 1352 O LYS B 32 -8.488 1.513 -9.886 1.00 0.00 O ATOM 1353 CB LYS B 32 -11.452 0.257 -9.606 1.00 0.00 C ATOM 1354 CG LYS B 32 -11.703 1.766 -9.471 1.00 0.00 C ATOM 1355 CD LYS B 32 -13.080 2.039 -8.849 1.00 0.00 C ATOM 1356 CE LYS B 32 -13.358 3.540 -8.673 1.00 0.00 C ATOM 1357 NZ LYS B 32 -13.478 4.257 -9.973 1.00 0.00 N ATOM 0 H LYS B 32 -10.903 -2.027 -10.359 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.250 0.568 -11.369 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -12.327 -0.218 -10.049 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -11.319 -0.179 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -10.925 2.214 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -11.642 2.238 -10.452 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -13.854 1.601 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -13.142 1.545 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -14.278 3.671 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -12.555 3.988 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -13.699 5.258 -9.798 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -12.580 4.186 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -14.239 3.828 -10.537 1.00 0.00 H new ATOM 1371 N ILE B 33 -8.223 -0.569 -9.104 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.892 -0.324 -8.527 1.00 0.00 C ATOM 1373 C ILE B 33 -5.842 -0.106 -9.616 1.00 0.00 C ATOM 1374 O ILE B 33 -5.245 0.957 -9.621 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.520 -1.420 -7.506 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.362 -1.172 -6.236 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -5.018 -1.429 -7.162 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.329 -2.345 -5.262 1.00 0.00 C ATOM 0 H ILE B 33 -8.571 -1.515 -8.948 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.922 0.609 -7.964 1.00 0.00 H new ATOM 0 HB ILE B 33 -6.733 -2.397 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.995 -0.278 -5.732 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.395 -0.975 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -4.815 -2.220 -6.440 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.438 -1.607 -8.068 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.737 -0.466 -6.735 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -7.939 -2.111 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -7.723 -3.236 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.302 -2.528 -4.948 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.642 -1.015 -10.575 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.667 -0.838 -11.680 1.00 0.00 C ATOM 1392 C LEU B 34 -4.926 0.383 -12.589 1.00 0.00 C ATOM 1393 O LEU B 34 -4.019 0.809 -13.298 1.00 0.00 O ATOM 1394 CB LEU B 34 -4.485 -2.180 -12.403 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.684 -2.721 -13.198 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -5.786 -2.119 -14.601 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -5.569 -4.237 -13.356 1.00 0.00 C ATOM 0 H LEU B 34 -6.148 -1.900 -10.616 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.704 -0.562 -11.250 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.643 -2.083 -13.088 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.207 -2.928 -11.661 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.573 -2.443 -12.631 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.651 -2.538 -15.115 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.898 -1.037 -14.526 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.882 -2.352 -15.163 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.424 -4.610 -13.921 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.649 -4.479 -13.888 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.552 -4.705 -12.372 1.00 0.00 H new ATOM 1409 N GLU B 35 -6.108 1.004 -12.528 1.00 0.00 N ATOM 1410 CA GLU B 35 -6.406 2.304 -13.118 1.00 0.00 C ATOM 1411 C GLU B 35 -5.823 3.496 -12.319 1.00 0.00 C ATOM 1412 O GLU B 35 -5.291 4.433 -12.916 1.00 0.00 O ATOM 1413 CB GLU B 35 -7.929 2.393 -13.184 1.00 0.00 C ATOM 1414 CG GLU B 35 -8.496 1.734 -14.443 1.00 0.00 C ATOM 1415 CD GLU B 35 -8.329 2.624 -15.691 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -9.141 3.562 -15.884 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -7.395 2.386 -16.493 1.00 0.00 O ATOM 0 H GLU B 35 -6.910 0.596 -12.048 1.00 0.00 H new ATOM 0 HA GLU B 35 -5.939 2.375 -14.100 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.357 1.915 -12.303 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -8.231 3.440 -13.157 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -7.995 0.780 -14.609 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -9.553 1.517 -14.293 1.00 0.00 H new ATOM 1424 N ASP B 36 -5.877 3.470 -10.981 1.00 0.00 N ATOM 1425 CA ASP B 36 -5.248 4.453 -10.084 1.00 0.00 C ATOM 1426 C ASP B 36 -3.731 4.229 -9.956 1.00 0.00 C ATOM 1427 O ASP B 36 -2.918 5.147 -10.063 1.00 0.00 O ATOM 1428 CB ASP B 36 -5.870 4.276 -8.686 1.00 0.00 C ATOM 1429 CG ASP B 36 -7.271 4.890 -8.510 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -7.630 5.857 -9.223 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -8.003 4.422 -7.605 1.00 0.00 O ATOM 0 H ASP B 36 -6.377 2.739 -10.474 1.00 0.00 H new ATOM 0 HA ASP B 36 -5.414 5.449 -10.493 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.927 3.210 -8.463 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -5.201 4.720 -7.949 1.00 0.00 H new ATOM 1436 N GLU B 37 -3.357 2.969 -9.753 1.00 0.00 N ATOM 1437 CA GLU B 37 -2.010 2.429 -9.579 1.00 0.00 C ATOM 1438 C GLU B 37 -1.157 2.544 -10.870 1.00 0.00 C ATOM 1439 O GLU B 37 0.045 2.282 -10.853 1.00 0.00 O ATOM 1440 CB GLU B 37 -2.204 0.974 -9.101 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.099 0.323 -8.283 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.980 0.925 -6.870 1.00 0.00 C ATOM 1443 OE1 GLU B 37 -1.714 0.543 -5.917 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -0.129 1.820 -6.641 1.00 0.00 O ATOM 0 H GLU B 37 -4.056 2.228 -9.701 1.00 0.00 H new ATOM 0 HA GLU B 37 -1.441 3.000 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.118 0.939 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -2.371 0.355 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -1.292 -0.747 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -0.149 0.438 -8.805 1.00 0.00 H new ATOM 1451 N GLU B 38 -1.754 2.982 -11.984 1.00 0.00 N ATOM 1452 CA GLU B 38 -1.063 3.453 -13.195 1.00 0.00 C ATOM 1453 C GLU B 38 -0.284 4.753 -12.935 1.00 0.00 C ATOM 1454 O GLU B 38 0.921 4.833 -13.176 1.00 0.00 O ATOM 1455 CB GLU B 38 -2.114 3.709 -14.289 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.496 4.049 -15.652 1.00 0.00 C ATOM 1457 CD GLU B 38 -2.585 4.409 -16.681 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -3.141 5.532 -16.601 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -2.876 3.586 -17.584 1.00 0.00 O ATOM 0 H GLU B 38 -2.769 3.021 -12.073 1.00 0.00 H new ATOM 0 HA GLU B 38 -0.350 2.689 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.744 2.825 -14.393 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -2.762 4.528 -13.977 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.804 4.884 -15.543 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -0.916 3.200 -16.014 1.00 0.00 H new ATOM 1466 N LYS B 39 -0.966 5.780 -12.409 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.375 7.110 -12.139 1.00 0.00 C ATOM 1468 C LYS B 39 0.775 7.027 -11.129 1.00 0.00 C ATOM 1469 O LYS B 39 1.759 7.756 -11.235 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.463 8.091 -11.661 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.265 8.759 -12.792 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.072 7.788 -13.664 1.00 0.00 C ATOM 1473 CE LYS B 39 -3.868 8.560 -14.721 1.00 0.00 C ATOM 1474 NZ LYS B 39 -4.644 7.637 -15.587 1.00 0.00 N ATOM 0 H LYS B 39 -1.952 5.716 -12.155 1.00 0.00 H new ATOM 0 HA LYS B 39 0.046 7.485 -13.072 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -2.155 7.557 -11.010 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -0.993 8.868 -11.058 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -2.948 9.487 -12.354 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -1.576 9.312 -13.430 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -2.400 7.080 -14.150 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -3.751 7.206 -13.040 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -4.545 9.259 -14.231 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -3.187 9.151 -15.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -5.078 8.174 -16.365 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -4.009 6.912 -15.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -5.389 7.178 -15.025 1.00 0.00 H new ATOM 1488 N HIS B 40 0.691 6.050 -10.226 1.00 0.00 N ATOM 1489 CA HIS B 40 1.696 5.653 -9.233 1.00 0.00 C ATOM 1490 C HIS B 40 3.059 5.193 -9.787 1.00 0.00 C ATOM 1491 O HIS B 40 3.941 4.904 -8.985 1.00 0.00 O ATOM 1492 CB HIS B 40 1.098 4.523 -8.387 1.00 0.00 C ATOM 1493 CG HIS B 40 0.180 4.958 -7.277 1.00 0.00 C ATOM 1494 ND1 HIS B 40 0.244 4.488 -5.957 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.880 5.806 -7.406 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -0.777 5.112 -5.322 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.464 5.895 -6.168 1.00 0.00 N ATOM 0 H HIS B 40 -0.145 5.469 -10.163 1.00 0.00 H new ATOM 0 HA HIS B 40 1.921 6.554 -8.663 1.00 0.00 H new ATOM 0 HB2 HIS B 40 0.549 3.851 -9.047 1.00 0.00 H new ATOM 0 HB3 HIS B 40 1.915 3.946 -7.954 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -1.198 6.309 -8.307 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.008 4.995 -4.273 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -2.280 6.459 -5.931 1.00 0.00 H new ATOM 1505 N ILE B 41 3.262 5.125 -11.108 1.00 0.00 N ATOM 1506 CA ILE B 41 4.562 4.822 -11.743 1.00 0.00 C ATOM 1507 C ILE B 41 5.082 6.002 -12.589 1.00 0.00 C ATOM 1508 O ILE B 41 6.289 6.225 -12.667 1.00 0.00 O ATOM 1509 CB ILE B 41 4.474 3.504 -12.562 1.00 0.00 C ATOM 1510 CG1 ILE B 41 5.819 2.749 -12.543 1.00 0.00 C ATOM 1511 CG2 ILE B 41 4.054 3.700 -14.030 1.00 0.00 C ATOM 1512 CD1 ILE B 41 5.969 1.899 -11.280 1.00 0.00 C ATOM 0 H ILE B 41 2.515 5.281 -11.785 1.00 0.00 H new ATOM 0 HA ILE B 41 5.296 4.672 -10.951 1.00 0.00 H new ATOM 0 HB ILE B 41 3.693 2.925 -12.069 1.00 0.00 H new ATOM 0 HG12 ILE B 41 5.891 2.110 -13.423 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.639 3.464 -12.601 1.00 0.00 H new ATOM 0 HG21 ILE B 41 4.017 2.732 -14.530 1.00 0.00 H new ATOM 0 HG22 ILE B 41 3.069 4.166 -14.068 1.00 0.00 H new ATOM 0 HG23 ILE B 41 4.778 4.341 -14.533 1.00 0.00 H new ATOM 0 HD11 ILE B 41 6.928 1.382 -11.301 1.00 0.00 H new ATOM 0 HD12 ILE B 41 5.923 2.542 -10.401 1.00 0.00 H new ATOM 0 HD13 ILE B 41 5.163 1.167 -11.236 1.00 0.00 H new ATOM 1524 N GLU B 42 4.190 6.809 -13.172 1.00 0.00 N ATOM 1525 CA GLU B 42 4.559 8.034 -13.898 1.00 0.00 C ATOM 1526 C GLU B 42 4.977 9.146 -12.922 1.00 0.00 C ATOM 1527 O GLU B 42 6.030 9.767 -13.082 1.00 0.00 O ATOM 1528 CB GLU B 42 3.377 8.473 -14.779 1.00 0.00 C ATOM 1529 CG GLU B 42 3.768 9.600 -15.739 1.00 0.00 C ATOM 1530 CD GLU B 42 2.590 9.971 -16.672 1.00 0.00 C ATOM 1531 OE1 GLU B 42 2.383 9.277 -17.695 1.00 0.00 O ATOM 1532 OE2 GLU B 42 1.881 10.964 -16.390 1.00 0.00 O ATOM 0 H GLU B 42 3.186 6.632 -13.155 1.00 0.00 H new ATOM 0 HA GLU B 42 5.419 7.832 -14.537 1.00 0.00 H new ATOM 0 HB2 GLU B 42 3.013 7.619 -15.351 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.555 8.805 -14.145 1.00 0.00 H new ATOM 0 HG2 GLU B 42 4.075 10.477 -15.169 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.626 9.292 -16.336 1.00 0.00 H new ATOM 1539 N TRP B 43 4.202 9.343 -11.851 1.00 0.00 N ATOM 1540 CA TRP B 43 4.561 10.226 -10.736 1.00 0.00 C ATOM 1541 C TRP B 43 5.797 9.726 -9.969 1.00 0.00 C ATOM 1542 O TRP B 43 6.559 10.527 -9.430 1.00 0.00 O ATOM 1543 CB TRP B 43 3.351 10.370 -9.804 1.00 0.00 C ATOM 1544 CG TRP B 43 2.120 10.993 -10.405 1.00 0.00 C ATOM 1545 CD1 TRP B 43 2.083 11.808 -11.487 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.732 10.888 -9.949 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.786 12.210 -11.731 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.088 11.690 -10.799 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.085 10.216 -8.888 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.471 11.830 -10.601 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -1.302 10.352 -8.674 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -2.079 11.158 -9.526 1.00 0.00 C ATOM 0 H TRP B 43 3.297 8.888 -11.732 1.00 0.00 H new ATOM 0 HA TRP B 43 4.830 11.201 -11.141 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.087 9.381 -9.430 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.651 10.967 -8.942 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.942 12.100 -12.072 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.508 12.816 -12.503 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.664 9.586 -8.228 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.060 12.445 -11.265 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.771 9.834 -7.851 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.140 11.260 -9.355 1.00 0.00 H new ATOM 1563 N LEU B 44 6.032 8.411 -9.974 1.00 0.00 N ATOM 1564 CA LEU B 44 7.234 7.767 -9.429 1.00 0.00 C ATOM 1565 C LEU B 44 8.507 8.204 -10.174 1.00 0.00 C ATOM 1566 O LEU B 44 9.426 8.758 -9.579 1.00 0.00 O ATOM 1567 CB LEU B 44 7.031 6.249 -9.543 1.00 0.00 C ATOM 1568 CG LEU B 44 7.581 5.424 -8.391 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.288 3.958 -8.626 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.061 5.646 -8.129 1.00 0.00 C ATOM 0 H LEU B 44 5.371 7.743 -10.370 1.00 0.00 H new ATOM 0 HA LEU B 44 7.372 8.064 -8.389 1.00 0.00 H new ATOM 0 HB2 LEU B 44 5.963 6.049 -9.632 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.498 5.907 -10.467 1.00 0.00 H new ATOM 0 HG LEU B 44 7.072 5.765 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.684 3.370 -7.798 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.210 3.809 -8.694 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.758 3.637 -9.556 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.380 5.023 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.632 5.380 -9.019 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.234 6.695 -7.887 1.00 0.00 H new ATOM 1582 N GLU B 45 8.527 8.017 -11.493 1.00 0.00 N ATOM 1583 CA GLU B 45 9.591 8.510 -12.389 1.00 0.00 C ATOM 1584 C GLU B 45 9.765 10.037 -12.295 1.00 0.00 C ATOM 1585 O GLU B 45 10.879 10.553 -12.365 1.00 0.00 O ATOM 1586 CB GLU B 45 9.248 8.104 -13.831 1.00 0.00 C ATOM 1587 CG GLU B 45 10.438 8.146 -14.803 1.00 0.00 C ATOM 1588 CD GLU B 45 11.341 6.887 -14.740 1.00 0.00 C ATOM 1589 OE1 GLU B 45 11.757 6.470 -13.635 1.00 0.00 O ATOM 1590 OE2 GLU B 45 11.662 6.326 -15.816 1.00 0.00 O ATOM 0 H GLU B 45 7.792 7.509 -11.986 1.00 0.00 H new ATOM 0 HA GLU B 45 10.536 8.063 -12.082 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.836 7.095 -13.823 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.466 8.764 -14.205 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.061 8.261 -15.819 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.042 9.027 -14.585 1.00 0.00 H new ATOM 1597 N THR B 46 8.667 10.769 -12.088 1.00 0.00 N ATOM 1598 CA THR B 46 8.688 12.226 -11.844 1.00 0.00 C ATOM 1599 C THR B 46 9.381 12.610 -10.521 1.00 0.00 C ATOM 1600 O THR B 46 10.012 13.667 -10.450 1.00 0.00 O ATOM 1601 CB THR B 46 7.269 12.820 -11.905 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.652 12.512 -13.139 1.00 0.00 O ATOM 1603 CG2 THR B 46 7.232 14.346 -11.795 1.00 0.00 C ATOM 0 H THR B 46 7.728 10.370 -12.084 1.00 0.00 H new ATOM 0 HA THR B 46 9.286 12.658 -12.647 1.00 0.00 H new ATOM 0 HB THR B 46 6.753 12.379 -11.052 1.00 0.00 H new ATOM 0 HG1 THR B 46 6.420 11.560 -13.160 1.00 0.00 H new ATOM 0 HG21 THR B 46 6.199 14.690 -11.846 1.00 0.00 H new ATOM 0 HG22 THR B 46 7.670 14.653 -10.845 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.801 14.784 -12.615 1.00 0.00 H new ATOM 1611 N ILE B 47 9.338 11.762 -9.481 1.00 0.00 N ATOM 1612 CA ILE B 47 9.908 12.052 -8.145 1.00 0.00 C ATOM 1613 C ILE B 47 11.451 12.064 -8.090 1.00 0.00 C ATOM 1614 O ILE B 47 12.046 12.428 -7.075 1.00 0.00 O ATOM 1615 CB ILE B 47 9.243 11.149 -7.065 1.00 0.00 C ATOM 1616 CG1 ILE B 47 8.788 11.949 -5.823 1.00 0.00 C ATOM 1617 CG2 ILE B 47 10.110 9.970 -6.589 1.00 0.00 C ATOM 1618 CD1 ILE B 47 7.588 12.869 -6.093 1.00 0.00 C ATOM 0 H ILE B 47 8.902 10.842 -9.540 1.00 0.00 H new ATOM 0 HA ILE B 47 9.656 13.087 -7.912 1.00 0.00 H new ATOM 0 HB ILE B 47 8.378 10.737 -7.586 1.00 0.00 H new ATOM 0 HG12 ILE B 47 8.529 11.252 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE B 47 9.623 12.550 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.565 9.398 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.345 9.326 -7.436 1.00 0.00 H new ATOM 0 HG23 ILE B 47 11.035 10.350 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE B 47 7.323 13.399 -5.178 1.00 0.00 H new ATOM 0 HD12 ILE B 47 7.849 13.590 -6.868 1.00 0.00 H new ATOM 0 HD13 ILE B 47 6.739 12.272 -6.425 1.00 0.00 H new ATOM 1630 N ASN B 48 12.100 11.721 -9.204 1.00 0.00 N ATOM 1631 CA ASN B 48 13.556 11.768 -9.409 1.00 0.00 C ATOM 1632 C ASN B 48 14.199 13.166 -9.263 1.00 0.00 C ATOM 1633 O ASN B 48 15.420 13.260 -9.098 1.00 0.00 O ATOM 1634 CB ASN B 48 13.885 11.158 -10.789 1.00 0.00 C ATOM 1635 CG ASN B 48 14.265 9.692 -10.721 1.00 0.00 C ATOM 1636 OD1 ASN B 48 13.483 8.804 -11.018 1.00 0.00 O ATOM 1637 ND2 ASN B 48 15.491 9.394 -10.348 1.00 0.00 N ATOM 0 H ASN B 48 11.604 11.386 -10.030 1.00 0.00 H new ATOM 0 HA ASN B 48 13.997 11.184 -8.602 1.00 0.00 H new ATOM 0 HB2 ASN B 48 13.022 11.272 -11.444 1.00 0.00 H new ATOM 0 HB3 ASN B 48 14.704 11.718 -11.240 1.00 0.00 H new ATOM 0 HD21 ASN B 48 15.789 8.419 -10.307 1.00 0.00 H new ATOM 0 HD22 ASN B 48 16.144 10.138 -10.100 1.00 0.00 H new ATOM 1644 N GLY B 49 13.403 14.239 -9.317 1.00 0.00 N ATOM 1645 CA GLY B 49 13.846 15.634 -9.165 1.00 0.00 C ATOM 1646 C GLY B 49 12.752 16.653 -9.480 1.00 0.00 C ATOM 1647 O GLY B 49 11.975 16.992 -8.561 1.00 0.00 O ATOM 1648 OXT GLY B 49 12.690 17.113 -10.642 1.00 0.00 O ATOM 0 H GLY B 49 12.398 14.160 -9.473 1.00 0.00 H new ATOM 0 HA2 GLY B 49 14.193 15.788 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY B 49 14.698 15.811 -9.822 1.00 0.00 H new TER 1652 GLY B 49 HETATM 1653 ZN ZN A 50 -2.228 -0.062 -4.408 1.00 0.00 ZN HETATM 1654 ZN ZN B 150 1.100 2.598 -5.596 1.00 0.00 ZN