USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 918 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 44 HIS HD1 : A 44 HIS ND1 : A 54 ZNZN :(H bumps) USER MOD NoAdj-H: B 44 HIS HD1 : B 44 HIS ND1 : B 154 ZNZN :(H bumps) USER MOD Set 1.1: A 3 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 12 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Set 3.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 157:sc= -0.103 (180deg=-0.941) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 132:sc= -0.535 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.18) USER MOD Single : A 27 ASN : amide:sc= 0.115 K(o=0.11,f=-4.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -46:sc= 0.0105 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= 0.138 (180deg=0.013) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 80:sc= 0.952 USER MOD Single : A 52 ASN : amide:sc= 1.33 K(o=1.3,f=-2.7!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00688) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 15 MET CE :methyl 161:sc= -0.0188 (180deg=-0.48) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.0283 USER MOD Single : B 22 SER OG : rot 170:sc= -0.13 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= 0.00167 K(o=0.0017,f=-4!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -43:sc= 0.0145 USER MOD Single : B 35 GLN : amide:sc= 0.0557 K(o=0.056,f=-1.4) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 81:sc= 1.28 USER MOD Single : B 52 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.233 17.112 2.518 1.00 0.00 N ATOM 2 CA MET A 1 10.828 18.544 2.497 1.00 0.00 C ATOM 3 C MET A 1 9.533 18.780 1.707 1.00 0.00 C ATOM 4 O MET A 1 8.606 19.385 2.244 1.00 0.00 O ATOM 5 CB MET A 1 11.980 19.502 2.103 1.00 0.00 C ATOM 6 CG MET A 1 12.375 19.527 0.617 1.00 0.00 C ATOM 7 SD MET A 1 13.832 20.543 0.227 1.00 0.00 S ATOM 8 CE MET A 1 15.168 19.410 0.703 1.00 0.00 C ATOM 0 H1 MET A 1 12.112 17.008 3.064 1.00 0.00 H new ATOM 0 H2 MET A 1 10.482 16.545 2.960 1.00 0.00 H new ATOM 0 H3 MET A 1 11.389 16.781 1.544 1.00 0.00 H new ATOM 0 HA MET A 1 10.593 18.804 3.529 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.699 20.513 2.398 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.861 19.233 2.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.565 18.505 0.290 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.528 19.895 0.037 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.131 19.888 0.524 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.077 19.164 1.761 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.100 18.497 0.111 1.00 0.00 H new ATOM 20 N ASP A 2 9.435 18.322 0.450 1.00 0.00 N ATOM 21 CA ASP A 2 8.234 18.477 -0.391 1.00 0.00 C ATOM 22 C ASP A 2 7.114 17.459 -0.068 1.00 0.00 C ATOM 23 O ASP A 2 7.246 16.573 0.780 1.00 0.00 O ATOM 24 CB ASP A 2 8.640 18.417 -1.877 1.00 0.00 C ATOM 25 CG ASP A 2 9.555 19.588 -2.276 1.00 0.00 C ATOM 26 OD1 ASP A 2 9.098 20.755 -2.230 1.00 0.00 O ATOM 27 OD2 ASP A 2 10.727 19.340 -2.646 1.00 0.00 O ATOM 0 H ASP A 2 10.195 17.828 -0.018 1.00 0.00 H new ATOM 0 HA ASP A 2 7.803 19.453 -0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.151 17.475 -2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.744 18.430 -2.498 1.00 0.00 H new ATOM 32 N TYR A 3 5.991 17.591 -0.776 1.00 0.00 N ATOM 33 CA TYR A 3 4.669 17.019 -0.494 1.00 0.00 C ATOM 34 C TYR A 3 4.387 15.736 -1.304 1.00 0.00 C ATOM 35 O TYR A 3 3.263 15.503 -1.743 1.00 0.00 O ATOM 36 CB TYR A 3 3.624 18.133 -0.726 1.00 0.00 C ATOM 37 CG TYR A 3 3.656 18.774 -2.108 1.00 0.00 C ATOM 38 CD1 TYR A 3 4.582 19.800 -2.392 1.00 0.00 C ATOM 39 CD2 TYR A 3 2.761 18.349 -3.112 1.00 0.00 C ATOM 40 CE1 TYR A 3 4.637 20.372 -3.678 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.802 18.932 -4.394 1.00 0.00 C ATOM 42 CZ TYR A 3 3.743 19.943 -4.682 1.00 0.00 C ATOM 43 OH TYR A 3 3.789 20.510 -5.918 1.00 0.00 O ATOM 0 H TYR A 3 5.980 18.146 -1.632 1.00 0.00 H new ATOM 0 HA TYR A 3 4.619 16.685 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.630 17.718 -0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.774 18.912 0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.252 20.148 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.041 17.573 -2.897 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.364 21.140 -3.896 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.112 18.604 -5.158 1.00 0.00 H new ATOM 0 HH TYR A 3 3.108 20.100 -6.491 1.00 0.00 H new ATOM 53 N LEU A 4 5.415 14.901 -1.512 1.00 0.00 N ATOM 54 CA LEU A 4 5.305 13.619 -2.225 1.00 0.00 C ATOM 55 C LEU A 4 5.994 12.446 -1.508 1.00 0.00 C ATOM 56 O LEU A 4 5.305 11.496 -1.147 1.00 0.00 O ATOM 57 CB LEU A 4 5.712 13.802 -3.703 1.00 0.00 C ATOM 58 CG LEU A 4 7.196 14.159 -3.927 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.979 12.958 -4.462 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.374 15.323 -4.900 1.00 0.00 C ATOM 0 H LEU A 4 6.361 15.100 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 4 4.258 13.316 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.489 12.882 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.094 14.586 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 4 7.583 14.454 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.021 13.240 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.923 12.139 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.551 12.639 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.436 15.535 -5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.942 15.060 -5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.871 16.206 -4.506 1.00 0.00 H new ATOM 72 N ARG A 5 7.296 12.511 -1.182 1.00 0.00 N ATOM 73 CA ARG A 5 7.972 11.455 -0.395 1.00 0.00 C ATOM 74 C ARG A 5 7.371 11.312 1.009 1.00 0.00 C ATOM 75 O ARG A 5 7.253 10.203 1.526 1.00 0.00 O ATOM 76 CB ARG A 5 9.493 11.697 -0.394 1.00 0.00 C ATOM 77 CG ARG A 5 10.263 10.599 0.365 1.00 0.00 C ATOM 78 CD ARG A 5 11.763 10.598 0.034 1.00 0.00 C ATOM 79 NE ARG A 5 12.033 9.972 -1.278 1.00 0.00 N ATOM 80 CZ ARG A 5 13.216 9.794 -1.842 1.00 0.00 C ATOM 81 NH1 ARG A 5 14.316 10.239 -1.304 1.00 0.00 N ATOM 82 NH2 ARG A 5 13.317 9.149 -2.969 1.00 0.00 N ATOM 0 H ARG A 5 7.906 13.283 -1.450 1.00 0.00 H new ATOM 0 HA ARG A 5 7.799 10.490 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.851 11.743 -1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.704 12.665 0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.131 10.742 1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.839 9.626 0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.136 11.622 0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.307 10.062 0.812 1.00 0.00 H new ATOM 0 HE ARG A 5 11.223 9.643 -1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.283 10.744 -0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.211 10.083 -1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.481 8.778 -3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.232 9.015 -3.400 1.00 0.00 H new ATOM 96 N GLU A 6 6.891 12.420 1.573 1.00 0.00 N ATOM 97 CA GLU A 6 6.085 12.452 2.801 1.00 0.00 C ATOM 98 C GLU A 6 4.812 11.594 2.695 1.00 0.00 C ATOM 99 O GLU A 6 4.476 10.861 3.623 1.00 0.00 O ATOM 100 CB GLU A 6 5.733 13.922 3.106 1.00 0.00 C ATOM 101 CG GLU A 6 5.280 14.163 4.552 1.00 0.00 C ATOM 102 CD GLU A 6 6.456 14.047 5.546 1.00 0.00 C ATOM 103 OE1 GLU A 6 7.183 15.050 5.751 1.00 0.00 O ATOM 104 OE2 GLU A 6 6.665 12.956 6.128 1.00 0.00 O ATOM 0 H GLU A 6 7.054 13.347 1.181 1.00 0.00 H new ATOM 0 HA GLU A 6 6.669 12.022 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.603 14.545 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.942 14.245 2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.832 15.153 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.507 13.441 4.816 1.00 0.00 H new ATOM 111 N LEU A 7 4.132 11.633 1.544 1.00 0.00 N ATOM 112 CA LEU A 7 2.920 10.844 1.285 1.00 0.00 C ATOM 113 C LEU A 7 3.261 9.364 1.071 1.00 0.00 C ATOM 114 O LEU A 7 2.670 8.505 1.716 1.00 0.00 O ATOM 115 CB LEU A 7 2.150 11.398 0.068 1.00 0.00 C ATOM 116 CG LEU A 7 1.896 12.914 0.069 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.024 13.287 -1.127 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.197 13.397 1.337 1.00 0.00 C ATOM 0 H LEU A 7 4.410 12.219 0.757 1.00 0.00 H new ATOM 0 HA LEU A 7 2.280 10.924 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.704 11.142 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.189 10.888 0.008 1.00 0.00 H new ATOM 0 HG LEU A 7 2.873 13.395 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.845 14.362 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.532 13.005 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.072 12.760 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.044 14.475 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.232 12.899 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.814 13.163 2.204 1.00 0.00 H new ATOM 130 N TYR A 8 4.259 9.086 0.222 1.00 0.00 N ATOM 131 CA TYR A 8 4.829 7.765 -0.119 1.00 0.00 C ATOM 132 C TYR A 8 5.158 6.926 1.118 1.00 0.00 C ATOM 133 O TYR A 8 4.995 5.706 1.113 1.00 0.00 O ATOM 134 CB TYR A 8 6.147 8.039 -0.883 1.00 0.00 C ATOM 135 CG TYR A 8 6.605 7.125 -2.011 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.338 5.741 -2.013 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.411 7.675 -3.031 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.895 4.913 -3.009 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.939 6.855 -4.048 1.00 0.00 C ATOM 140 CZ TYR A 8 7.687 5.469 -4.036 1.00 0.00 C ATOM 141 OH TYR A 8 8.227 4.673 -4.999 1.00 0.00 O ATOM 0 H TYR A 8 4.730 9.834 -0.287 1.00 0.00 H new ATOM 0 HA TYR A 8 4.099 7.205 -0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.072 9.044 -1.297 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.947 8.058 -0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.705 5.314 -1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.625 8.734 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.715 3.848 -2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.537 7.289 -4.836 1.00 0.00 H new ATOM 0 HH TYR A 8 8.742 5.222 -5.627 1.00 0.00 H new ATOM 151 N LYS A 9 5.631 7.569 2.186 1.00 0.00 N ATOM 152 CA LYS A 9 5.964 6.902 3.448 1.00 0.00 C ATOM 153 C LYS A 9 4.745 6.358 4.190 1.00 0.00 C ATOM 154 O LYS A 9 4.672 5.151 4.408 1.00 0.00 O ATOM 155 CB LYS A 9 6.847 7.842 4.297 1.00 0.00 C ATOM 156 CG LYS A 9 8.316 7.879 3.832 1.00 0.00 C ATOM 157 CD LYS A 9 9.072 6.560 4.080 1.00 0.00 C ATOM 158 CE LYS A 9 10.541 6.627 3.636 1.00 0.00 C ATOM 159 NZ LYS A 9 11.376 7.464 4.540 1.00 0.00 N ATOM 0 H LYS A 9 5.796 8.576 2.201 1.00 0.00 H new ATOM 0 HA LYS A 9 6.540 6.003 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.435 8.850 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.810 7.522 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.346 8.111 2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.832 8.687 4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.028 6.315 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.571 5.753 3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.952 5.618 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.593 7.029 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.357 7.475 4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.004 8.435 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.352 7.068 5.501 1.00 0.00 H new ATOM 173 N LEU A 10 3.755 7.188 4.505 1.00 0.00 N ATOM 174 CA LEU A 10 2.472 6.740 5.046 1.00 0.00 C ATOM 175 C LEU A 10 1.717 5.789 4.095 1.00 0.00 C ATOM 176 O LEU A 10 1.111 4.815 4.542 1.00 0.00 O ATOM 177 CB LEU A 10 1.616 7.949 5.459 1.00 0.00 C ATOM 178 CG LEU A 10 2.217 8.686 6.675 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.105 9.868 6.295 1.00 0.00 C ATOM 180 CD2 LEU A 10 1.105 9.196 7.595 1.00 0.00 C ATOM 0 H LEU A 10 3.819 8.200 4.392 1.00 0.00 H new ATOM 0 HA LEU A 10 2.682 6.149 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.533 8.640 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.606 7.615 5.698 1.00 0.00 H new ATOM 0 HG LEU A 10 2.840 7.951 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.492 10.338 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.936 9.517 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.521 10.595 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.546 9.713 8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.465 9.885 7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.511 8.354 7.950 1.00 0.00 H new ATOM 192 N GLU A 11 1.829 6.007 2.783 1.00 0.00 N ATOM 193 CA GLU A 11 1.382 5.088 1.731 1.00 0.00 C ATOM 194 C GLU A 11 2.034 3.697 1.871 1.00 0.00 C ATOM 195 O GLU A 11 1.319 2.692 1.836 1.00 0.00 O ATOM 196 CB GLU A 11 1.652 5.761 0.364 1.00 0.00 C ATOM 197 CG GLU A 11 0.487 6.632 -0.143 1.00 0.00 C ATOM 198 CD GLU A 11 -0.734 5.842 -0.641 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.614 5.312 0.057 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.094 5.735 -1.826 1.00 0.00 O ATOM 0 H GLU A 11 2.248 6.858 2.409 1.00 0.00 H new ATOM 0 HA GLU A 11 0.312 4.898 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.546 6.379 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.864 4.988 -0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.170 7.296 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.849 7.264 -0.954 1.00 0.00 H new ATOM 207 N GLN A 12 3.349 3.591 2.126 1.00 0.00 N ATOM 208 CA GLN A 12 4.006 2.297 2.325 1.00 0.00 C ATOM 209 C GLN A 12 3.818 1.683 3.715 1.00 0.00 C ATOM 210 O GLN A 12 3.845 0.460 3.855 1.00 0.00 O ATOM 211 CB GLN A 12 5.488 2.432 1.989 1.00 0.00 C ATOM 212 CG GLN A 12 5.673 2.543 0.473 1.00 0.00 C ATOM 213 CD GLN A 12 7.141 2.732 0.106 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.812 1.837 -0.391 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.697 3.898 0.359 1.00 0.00 N ATOM 0 H GLN A 12 3.976 4.392 2.199 1.00 0.00 H new ATOM 0 HA GLN A 12 3.515 1.597 1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.902 3.313 2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.035 1.569 2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.288 1.644 -0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.090 3.383 0.094 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.143 4.648 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.682 4.052 0.141 1.00 0.00 H new ATOM 224 N GLN A 13 3.557 2.496 4.734 1.00 0.00 N ATOM 225 CA GLN A 13 3.163 2.006 6.060 1.00 0.00 C ATOM 226 C GLN A 13 1.809 1.299 6.022 1.00 0.00 C ATOM 227 O GLN A 13 1.663 0.256 6.657 1.00 0.00 O ATOM 228 CB GLN A 13 3.114 3.165 7.073 1.00 0.00 C ATOM 229 CG GLN A 13 4.492 3.706 7.484 1.00 0.00 C ATOM 230 CD GLN A 13 5.172 2.815 8.520 1.00 0.00 C ATOM 231 OE1 GLN A 13 5.851 1.847 8.204 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.012 3.097 9.797 1.00 0.00 N ATOM 0 H GLN A 13 3.611 3.512 4.669 1.00 0.00 H new ATOM 0 HA GLN A 13 3.916 1.283 6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.529 3.980 6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.588 2.829 7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.127 3.786 6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.380 4.712 7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.449 3.901 10.075 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.451 2.512 10.507 1.00 0.00 H new ATOM 241 N ALA A 14 0.854 1.793 5.225 1.00 0.00 N ATOM 242 CA ALA A 14 -0.379 1.065 4.950 1.00 0.00 C ATOM 243 C ALA A 14 -0.061 -0.208 4.158 1.00 0.00 C ATOM 244 O ALA A 14 -0.528 -1.274 4.537 1.00 0.00 O ATOM 245 CB ALA A 14 -1.357 1.986 4.208 1.00 0.00 C ATOM 0 H ALA A 14 0.917 2.699 4.760 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.856 0.757 5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.280 1.445 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.577 2.856 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.909 2.312 3.269 1.00 0.00 H new ATOM 251 N MET A 15 0.795 -0.142 3.129 1.00 0.00 N ATOM 252 CA MET A 15 1.166 -1.335 2.338 1.00 0.00 C ATOM 253 C MET A 15 1.785 -2.454 3.190 1.00 0.00 C ATOM 254 O MET A 15 1.426 -3.616 3.006 1.00 0.00 O ATOM 255 CB MET A 15 2.132 -0.989 1.193 1.00 0.00 C ATOM 256 CG MET A 15 1.496 -0.112 0.107 1.00 0.00 C ATOM 257 SD MET A 15 1.726 -0.714 -1.591 1.00 0.00 S ATOM 258 CE MET A 15 0.796 -2.269 -1.486 1.00 0.00 C ATOM 0 H MET A 15 1.245 0.720 2.821 1.00 0.00 H new ATOM 0 HA MET A 15 0.227 -1.701 1.923 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.001 -0.474 1.603 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.493 -1.912 0.740 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.428 -0.029 0.306 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.913 0.892 0.181 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.478 -2.571 -2.484 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.431 -3.044 -1.057 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.080 -2.127 -0.854 1.00 0.00 H new ATOM 268 N LYS A 16 2.668 -2.145 4.150 1.00 0.00 N ATOM 269 CA LYS A 16 3.248 -3.168 5.036 1.00 0.00 C ATOM 270 C LYS A 16 2.277 -3.664 6.096 1.00 0.00 C ATOM 271 O LYS A 16 2.282 -4.852 6.418 1.00 0.00 O ATOM 272 CB LYS A 16 4.519 -2.643 5.691 1.00 0.00 C ATOM 273 CG LYS A 16 5.649 -2.670 4.657 1.00 0.00 C ATOM 274 CD LYS A 16 6.961 -2.153 5.233 1.00 0.00 C ATOM 275 CE LYS A 16 7.546 -3.072 6.315 1.00 0.00 C ATOM 276 NZ LYS A 16 8.842 -2.557 6.832 1.00 0.00 N ATOM 0 H LYS A 16 2.997 -1.197 4.334 1.00 0.00 H new ATOM 0 HA LYS A 16 3.486 -4.025 4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.365 -1.628 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.781 -3.256 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.787 -3.690 4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.367 -2.064 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.687 -2.043 4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.800 -1.161 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.837 -3.163 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.689 -4.072 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.207 -3.203 7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.526 -2.494 6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.700 -1.613 7.246 1.00 0.00 H new ATOM 290 N LEU A 17 1.389 -2.793 6.571 1.00 0.00 N ATOM 291 CA LEU A 17 0.232 -3.221 7.353 1.00 0.00 C ATOM 292 C LEU A 17 -0.636 -4.219 6.574 1.00 0.00 C ATOM 293 O LEU A 17 -1.033 -5.247 7.114 1.00 0.00 O ATOM 294 CB LEU A 17 -0.553 -1.970 7.782 1.00 0.00 C ATOM 295 CG LEU A 17 -0.260 -1.556 9.227 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.948 -0.227 9.515 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.762 -2.579 10.250 1.00 0.00 C ATOM 0 H LEU A 17 1.449 -1.785 6.427 1.00 0.00 H new ATOM 0 HA LEU A 17 0.563 -3.754 8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.306 -1.144 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.621 -2.160 7.672 1.00 0.00 H new ATOM 0 HG LEU A 17 0.823 -1.482 9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.743 0.074 10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.570 0.534 8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.024 -0.337 9.376 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.527 -2.233 11.256 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.841 -2.695 10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.276 -3.539 10.074 1.00 0.00 H new ATOM 309 N TYR A 18 -0.845 -3.963 5.283 1.00 0.00 N ATOM 310 CA TYR A 18 -1.552 -4.825 4.341 1.00 0.00 C ATOM 311 C TYR A 18 -0.850 -6.173 4.070 1.00 0.00 C ATOM 312 O TYR A 18 -1.541 -7.185 3.930 1.00 0.00 O ATOM 313 CB TYR A 18 -1.858 -3.996 3.072 1.00 0.00 C ATOM 314 CG TYR A 18 -3.186 -3.268 3.166 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.370 -4.008 3.343 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.235 -1.861 3.182 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.575 -3.353 3.655 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.431 -1.199 3.519 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.594 -1.950 3.791 1.00 0.00 C ATOM 320 OH TYR A 18 -6.739 -1.328 4.168 1.00 0.00 O ATOM 0 H TYR A 18 -0.508 -3.105 4.846 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.493 -5.147 4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.059 -3.271 2.913 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.868 -4.655 2.204 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.353 -5.083 3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.353 -1.288 2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.482 -3.923 3.790 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.458 -0.121 3.569 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.544 -0.694 4.889 1.00 0.00 H new ATOM 330 N ARG A 19 0.493 -6.247 4.092 1.00 0.00 N ATOM 331 CA ARG A 19 1.247 -7.524 4.060 1.00 0.00 C ATOM 332 C ARG A 19 0.963 -8.406 5.284 1.00 0.00 C ATOM 333 O ARG A 19 0.692 -9.596 5.147 1.00 0.00 O ATOM 334 CB ARG A 19 2.769 -7.283 3.976 1.00 0.00 C ATOM 335 CG ARG A 19 3.245 -6.610 2.680 1.00 0.00 C ATOM 336 CD ARG A 19 4.756 -6.350 2.750 1.00 0.00 C ATOM 337 NE ARG A 19 5.213 -5.484 1.644 1.00 0.00 N ATOM 338 CZ ARG A 19 6.429 -4.993 1.479 1.00 0.00 C ATOM 339 NH1 ARG A 19 7.408 -5.270 2.295 1.00 0.00 N ATOM 340 NH2 ARG A 19 6.690 -4.202 0.478 1.00 0.00 N ATOM 0 H ARG A 19 1.093 -5.423 4.133 1.00 0.00 H new ATOM 0 HA ARG A 19 0.904 -8.042 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.072 -6.666 4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.280 -8.240 4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.016 -7.246 1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.712 -5.671 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.001 -5.882 3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.291 -7.299 2.714 1.00 0.00 H new ATOM 0 HE ARG A 19 4.520 -5.240 0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.248 -5.885 3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.333 -4.872 2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.954 -3.958 -0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.631 -3.827 0.356 1.00 0.00 H new ATOM 354 N GLU A 20 1.011 -7.829 6.482 1.00 0.00 N ATOM 355 CA GLU A 20 0.818 -8.552 7.756 1.00 0.00 C ATOM 356 C GLU A 20 -0.650 -8.909 7.999 1.00 0.00 C ATOM 357 O GLU A 20 -0.975 -10.027 8.404 1.00 0.00 O ATOM 358 CB GLU A 20 1.359 -7.663 8.889 1.00 0.00 C ATOM 359 CG GLU A 20 2.108 -8.419 9.995 1.00 0.00 C ATOM 360 CD GLU A 20 1.177 -9.182 10.952 1.00 0.00 C ATOM 361 OE1 GLU A 20 0.279 -8.553 11.560 1.00 0.00 O ATOM 362 OE2 GLU A 20 1.374 -10.403 11.152 1.00 0.00 O ATOM 0 H GLU A 20 1.187 -6.832 6.607 1.00 0.00 H new ATOM 0 HA GLU A 20 1.359 -9.498 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.029 -6.918 8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.526 -7.122 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.802 -9.123 9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.705 -7.710 10.569 1.00 0.00 H new ATOM 369 N ALA A 21 -1.548 -7.991 7.648 1.00 0.00 N ATOM 370 CA ALA A 21 -2.982 -8.250 7.585 1.00 0.00 C ATOM 371 C ALA A 21 -3.327 -9.400 6.630 1.00 0.00 C ATOM 372 O ALA A 21 -4.208 -10.185 6.955 1.00 0.00 O ATOM 373 CB ALA A 21 -3.718 -6.976 7.189 1.00 0.00 C ATOM 0 H ALA A 21 -1.296 -7.035 7.397 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.307 -8.562 8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.789 -7.174 7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.524 -6.199 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.368 -6.643 6.212 1.00 0.00 H new ATOM 379 N SER A 22 -2.622 -9.562 5.503 1.00 0.00 N ATOM 380 CA SER A 22 -2.794 -10.723 4.614 1.00 0.00 C ATOM 381 C SER A 22 -2.455 -12.054 5.310 1.00 0.00 C ATOM 382 O SER A 22 -3.119 -13.062 5.060 1.00 0.00 O ATOM 383 CB SER A 22 -1.952 -10.550 3.343 1.00 0.00 C ATOM 384 OG SER A 22 -2.307 -11.505 2.354 1.00 0.00 O ATOM 0 H SER A 22 -1.919 -8.897 5.181 1.00 0.00 H new ATOM 0 HA SER A 22 -3.849 -10.767 4.343 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.091 -9.544 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.895 -10.653 3.588 1.00 0.00 H new ATOM 0 HG SER A 22 -1.755 -11.369 1.555 1.00 0.00 H new ATOM 390 N GLU A 23 -1.485 -12.073 6.237 1.00 0.00 N ATOM 391 CA GLU A 23 -1.176 -13.267 7.042 1.00 0.00 C ATOM 392 C GLU A 23 -2.280 -13.584 8.066 1.00 0.00 C ATOM 393 O GLU A 23 -2.702 -14.735 8.197 1.00 0.00 O ATOM 394 CB GLU A 23 0.175 -13.090 7.748 1.00 0.00 C ATOM 395 CG GLU A 23 0.817 -14.447 8.065 1.00 0.00 C ATOM 396 CD GLU A 23 2.206 -14.289 8.714 1.00 0.00 C ATOM 397 OE1 GLU A 23 3.178 -13.934 8.002 1.00 0.00 O ATOM 398 OE2 GLU A 23 2.347 -14.553 9.933 1.00 0.00 O ATOM 0 H GLU A 23 -0.896 -11.268 6.450 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.121 -14.115 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.845 -12.506 7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.035 -12.526 8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.166 -15.009 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.909 -15.028 7.147 1.00 0.00 H new ATOM 405 N LYS A 24 -2.796 -12.558 8.757 1.00 0.00 N ATOM 406 CA LYS A 24 -3.968 -12.672 9.655 1.00 0.00 C ATOM 407 C LYS A 24 -5.230 -13.124 8.905 1.00 0.00 C ATOM 408 O LYS A 24 -5.918 -14.045 9.344 1.00 0.00 O ATOM 409 CB LYS A 24 -4.215 -11.331 10.377 1.00 0.00 C ATOM 410 CG LYS A 24 -3.530 -11.212 11.749 1.00 0.00 C ATOM 411 CD LYS A 24 -2.009 -11.418 11.715 1.00 0.00 C ATOM 412 CE LYS A 24 -1.367 -11.226 13.096 1.00 0.00 C ATOM 413 NZ LYS A 24 -1.278 -9.793 13.476 1.00 0.00 N ATOM 0 H LYS A 24 -2.412 -11.614 8.712 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.744 -13.441 10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.866 -10.519 9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.289 -11.195 10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.742 -10.227 12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.969 -11.945 12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.788 -12.421 11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.565 -10.716 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.950 -11.764 13.844 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.368 -11.663 13.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.793 -9.706 14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.744 -9.274 12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.235 -9.394 13.552 1.00 0.00 H new ATOM 427 N ALA A 25 -5.489 -12.522 7.747 1.00 0.00 N ATOM 428 CA ALA A 25 -6.664 -12.708 6.897 1.00 0.00 C ATOM 429 C ALA A 25 -6.524 -13.853 5.870 1.00 0.00 C ATOM 430 O ALA A 25 -7.187 -13.813 4.835 1.00 0.00 O ATOM 431 CB ALA A 25 -6.939 -11.373 6.188 1.00 0.00 C ATOM 0 H ALA A 25 -4.839 -11.844 7.349 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.498 -13.005 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.812 -11.476 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.126 -10.598 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.074 -11.096 5.585 1.00 0.00 H new ATOM 437 N ARG A 26 -5.665 -14.856 6.115 1.00 0.00 N ATOM 438 CA ARG A 26 -5.362 -15.969 5.183 1.00 0.00 C ATOM 439 C ARG A 26 -6.572 -16.726 4.602 1.00 0.00 C ATOM 440 O ARG A 26 -6.448 -17.353 3.551 1.00 0.00 O ATOM 441 CB ARG A 26 -4.327 -16.934 5.800 1.00 0.00 C ATOM 442 CG ARG A 26 -4.822 -17.890 6.905 1.00 0.00 C ATOM 443 CD ARG A 26 -5.206 -17.197 8.219 1.00 0.00 C ATOM 444 NE ARG A 26 -5.503 -18.181 9.279 1.00 0.00 N ATOM 445 CZ ARG A 26 -5.249 -18.058 10.571 1.00 0.00 C ATOM 446 NH1 ARG A 26 -4.704 -16.985 11.073 1.00 0.00 N ATOM 447 NH2 ARG A 26 -5.542 -19.024 11.395 1.00 0.00 N ATOM 0 H ARG A 26 -5.145 -14.922 6.990 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.934 -15.478 4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.907 -17.537 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.512 -16.337 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.686 -18.440 6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.042 -18.623 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.392 -16.547 8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.076 -16.561 8.056 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.952 -19.048 8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.459 -16.205 10.464 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.523 -16.926 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.970 -19.881 11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.344 -18.923 12.390 1.00 0.00 H new ATOM 461 N ASN A 27 -7.734 -16.666 5.261 1.00 0.00 N ATOM 462 CA ASN A 27 -9.014 -17.157 4.742 1.00 0.00 C ATOM 463 C ASN A 27 -9.392 -16.455 3.407 1.00 0.00 C ATOM 464 O ASN A 27 -9.367 -15.220 3.340 1.00 0.00 O ATOM 465 CB ASN A 27 -10.069 -16.935 5.843 1.00 0.00 C ATOM 466 CG ASN A 27 -11.430 -17.512 5.484 1.00 0.00 C ATOM 467 OD1 ASN A 27 -12.050 -17.130 4.503 1.00 0.00 O ATOM 468 ND2 ASN A 27 -11.934 -18.455 6.245 1.00 0.00 N ATOM 0 H ASN A 27 -7.812 -16.264 6.195 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.952 -18.219 4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.720 -17.390 6.770 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.171 -15.866 6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.839 -18.865 6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.420 -18.777 7.065 1.00 0.00 H new ATOM 475 N PRO A 28 -9.781 -17.191 2.344 1.00 0.00 N ATOM 476 CA PRO A 28 -9.975 -16.625 1.005 1.00 0.00 C ATOM 477 C PRO A 28 -11.107 -15.588 0.913 1.00 0.00 C ATOM 478 O PRO A 28 -11.079 -14.730 0.031 1.00 0.00 O ATOM 479 CB PRO A 28 -10.207 -17.824 0.078 1.00 0.00 C ATOM 480 CG PRO A 28 -10.753 -18.905 1.009 1.00 0.00 C ATOM 481 CD PRO A 28 -10.031 -18.624 2.325 1.00 0.00 C ATOM 0 HA PRO A 28 -9.095 -16.050 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.915 -17.585 -0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.283 -18.141 -0.404 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.835 -18.833 1.119 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.536 -19.906 0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.640 -18.926 3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.098 -19.184 2.386 1.00 0.00 H new ATOM 489 N GLU A 29 -12.068 -15.606 1.843 1.00 0.00 N ATOM 490 CA GLU A 29 -13.180 -14.643 1.920 1.00 0.00 C ATOM 491 C GLU A 29 -12.714 -13.193 2.118 1.00 0.00 C ATOM 492 O GLU A 29 -13.350 -12.253 1.640 1.00 0.00 O ATOM 493 CB GLU A 29 -14.084 -15.042 3.096 1.00 0.00 C ATOM 494 CG GLU A 29 -15.542 -14.582 2.959 1.00 0.00 C ATOM 495 CD GLU A 29 -16.289 -15.345 1.847 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.803 -16.461 2.109 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.377 -14.833 0.704 1.00 0.00 O ATOM 0 H GLU A 29 -12.098 -16.307 2.583 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.711 -14.678 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.066 -16.127 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.669 -14.627 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.058 -14.728 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.566 -13.514 2.744 1.00 0.00 H new ATOM 504 N LYS A 30 -11.579 -13.032 2.806 1.00 0.00 N ATOM 505 CA LYS A 30 -10.946 -11.749 3.144 1.00 0.00 C ATOM 506 C LYS A 30 -9.621 -11.516 2.422 1.00 0.00 C ATOM 507 O LYS A 30 -9.378 -10.390 1.984 1.00 0.00 O ATOM 508 CB LYS A 30 -10.848 -11.620 4.674 1.00 0.00 C ATOM 509 CG LYS A 30 -10.579 -10.169 5.111 1.00 0.00 C ATOM 510 CD LYS A 30 -10.506 -10.001 6.637 1.00 0.00 C ATOM 511 CE LYS A 30 -11.834 -10.323 7.338 1.00 0.00 C ATOM 512 NZ LYS A 30 -11.738 -10.091 8.802 1.00 0.00 N ATOM 0 H LYS A 30 -11.050 -13.829 3.160 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.580 -10.943 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.775 -11.970 5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.050 -12.264 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.642 -9.831 4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.367 -9.526 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.725 -10.651 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.216 -8.977 6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.628 -9.704 6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.106 -11.361 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.649 -10.317 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.996 -10.700 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.502 -9.094 8.981 1.00 0.00 H new ATOM 526 N LYS A 31 -8.835 -12.565 2.153 1.00 0.00 N ATOM 527 CA LYS A 31 -7.660 -12.528 1.263 1.00 0.00 C ATOM 528 C LYS A 31 -7.976 -12.033 -0.155 1.00 0.00 C ATOM 529 O LYS A 31 -7.105 -11.466 -0.804 1.00 0.00 O ATOM 530 CB LYS A 31 -6.959 -13.900 1.291 1.00 0.00 C ATOM 531 CG LYS A 31 -5.547 -13.899 0.681 1.00 0.00 C ATOM 532 CD LYS A 31 -5.549 -14.417 -0.767 1.00 0.00 C ATOM 533 CE LYS A 31 -4.200 -14.208 -1.473 1.00 0.00 C ATOM 534 NZ LYS A 31 -3.103 -15.012 -0.868 1.00 0.00 N ATOM 0 H LYS A 31 -8.999 -13.487 2.556 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.967 -11.778 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.896 -14.242 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.575 -14.621 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.142 -12.887 0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.889 -14.520 1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.795 -15.479 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.332 -13.908 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.301 -14.473 -2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.934 -13.152 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.217 -14.833 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.985 -14.743 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.340 -16.023 -0.928 1.00 0.00 H new ATOM 548 N SER A 32 -9.230 -12.167 -0.595 1.00 0.00 N ATOM 549 CA SER A 32 -9.757 -11.662 -1.879 1.00 0.00 C ATOM 550 C SER A 32 -10.585 -10.360 -1.746 1.00 0.00 C ATOM 551 O SER A 32 -11.253 -9.919 -2.685 1.00 0.00 O ATOM 552 CB SER A 32 -10.547 -12.789 -2.564 1.00 0.00 C ATOM 553 OG SER A 32 -10.585 -12.606 -3.970 1.00 0.00 O ATOM 0 H SER A 32 -9.942 -12.650 -0.047 1.00 0.00 H new ATOM 0 HA SER A 32 -8.910 -11.375 -2.503 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.090 -13.751 -2.332 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.563 -12.816 -2.170 1.00 0.00 H new ATOM 0 HG SER A 32 -10.815 -11.675 -4.173 1.00 0.00 H new ATOM 559 N VAL A 33 -10.517 -9.696 -0.583 1.00 0.00 N ATOM 560 CA VAL A 33 -11.135 -8.380 -0.318 1.00 0.00 C ATOM 561 C VAL A 33 -10.069 -7.337 0.005 1.00 0.00 C ATOM 562 O VAL A 33 -10.072 -6.281 -0.631 1.00 0.00 O ATOM 563 CB VAL A 33 -12.205 -8.474 0.791 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.724 -7.105 1.254 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.415 -9.268 0.286 1.00 0.00 C ATOM 0 H VAL A 33 -10.017 -10.067 0.225 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.647 -8.057 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.715 -8.964 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.473 -7.244 2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.896 -6.516 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.173 -6.581 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.165 -9.329 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.842 -8.767 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.100 -10.273 0.006 1.00 0.00 H new ATOM 575 N LEU A 34 -9.087 -7.634 0.872 1.00 0.00 N ATOM 576 CA LEU A 34 -7.944 -6.732 1.045 1.00 0.00 C ATOM 577 C LEU A 34 -7.025 -6.704 -0.203 1.00 0.00 C ATOM 578 O LEU A 34 -6.248 -5.767 -0.377 1.00 0.00 O ATOM 579 CB LEU A 34 -7.268 -6.996 2.405 1.00 0.00 C ATOM 580 CG LEU A 34 -6.051 -7.915 2.361 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.306 -7.922 3.697 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.375 -9.363 2.032 1.00 0.00 C ATOM 0 H LEU A 34 -9.063 -8.473 1.451 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.283 -5.698 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.966 -6.040 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.006 -7.429 3.081 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.439 -7.500 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.445 -8.587 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.968 -6.912 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.974 -8.272 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.455 -9.948 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.052 -9.765 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.851 -9.416 1.053 1.00 0.00 H new ATOM 594 N GLN A 35 -7.156 -7.688 -1.107 1.00 0.00 N ATOM 595 CA GLN A 35 -6.413 -7.771 -2.370 1.00 0.00 C ATOM 596 C GLN A 35 -6.633 -6.553 -3.283 1.00 0.00 C ATOM 597 O GLN A 35 -5.684 -6.057 -3.892 1.00 0.00 O ATOM 598 CB GLN A 35 -6.827 -9.059 -3.115 1.00 0.00 C ATOM 599 CG GLN A 35 -5.632 -9.908 -3.575 1.00 0.00 C ATOM 600 CD GLN A 35 -4.824 -9.258 -4.699 1.00 0.00 C ATOM 601 OE1 GLN A 35 -5.348 -8.858 -5.730 1.00 0.00 O ATOM 602 NE2 GLN A 35 -3.520 -9.138 -4.557 1.00 0.00 N ATOM 0 H GLN A 35 -7.800 -8.468 -0.974 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.352 -7.788 -2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.460 -9.660 -2.462 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.428 -8.790 -3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.976 -10.090 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.994 -10.879 -3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.068 -9.466 -3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.963 -8.717 -5.300 1.00 0.00 H new ATOM 611 N LYS A 36 -7.872 -6.044 -3.369 1.00 0.00 N ATOM 612 CA LYS A 36 -8.194 -4.891 -4.228 1.00 0.00 C ATOM 613 C LYS A 36 -7.619 -3.579 -3.693 1.00 0.00 C ATOM 614 O LYS A 36 -7.152 -2.760 -4.482 1.00 0.00 O ATOM 615 CB LYS A 36 -9.713 -4.797 -4.471 1.00 0.00 C ATOM 616 CG LYS A 36 -10.222 -5.915 -5.406 1.00 0.00 C ATOM 617 CD LYS A 36 -11.011 -7.042 -4.721 1.00 0.00 C ATOM 618 CE LYS A 36 -12.401 -6.574 -4.270 1.00 0.00 C ATOM 619 NZ LYS A 36 -13.274 -7.730 -3.932 1.00 0.00 N ATOM 0 H LYS A 36 -8.670 -6.413 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.709 -5.060 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.237 -4.857 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.951 -3.826 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.855 -5.465 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.366 -6.354 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.116 -7.882 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.452 -7.404 -3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.304 -5.922 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.864 -5.985 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.986 -7.435 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.752 -8.067 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.696 -8.497 -3.534 1.00 0.00 H new ATOM 633 N ILE A 37 -7.557 -3.413 -2.368 1.00 0.00 N ATOM 634 CA ILE A 37 -6.808 -2.319 -1.727 1.00 0.00 C ATOM 635 C ILE A 37 -5.309 -2.484 -2.016 1.00 0.00 C ATOM 636 O ILE A 37 -4.686 -1.537 -2.483 1.00 0.00 O ATOM 637 CB ILE A 37 -7.065 -2.287 -0.200 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.549 -2.127 0.178 1.00 0.00 C ATOM 639 CG2 ILE A 37 -6.185 -1.198 0.440 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.865 -2.163 1.680 1.00 0.00 C ATOM 0 H ILE A 37 -8.024 -4.032 -1.706 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.153 -1.371 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.786 -3.262 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.907 -1.180 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.116 -2.918 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.363 -1.172 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.135 -1.421 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.433 -0.229 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.938 -2.041 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.547 -3.119 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.335 -1.354 2.183 1.00 0.00 H new ATOM 652 N LEU A 38 -4.730 -3.674 -1.814 1.00 0.00 N ATOM 653 CA LEU A 38 -3.320 -3.950 -2.128 1.00 0.00 C ATOM 654 C LEU A 38 -2.946 -3.553 -3.568 1.00 0.00 C ATOM 655 O LEU A 38 -1.928 -2.892 -3.778 1.00 0.00 O ATOM 656 CB LEU A 38 -3.013 -5.442 -1.868 1.00 0.00 C ATOM 657 CG LEU A 38 -2.478 -5.738 -0.458 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.529 -7.240 -0.175 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.022 -5.280 -0.324 1.00 0.00 C ATOM 0 H LEU A 38 -5.227 -4.476 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.706 -3.333 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.922 -6.022 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.283 -5.784 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.104 -5.198 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.147 -7.435 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.559 -7.589 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.917 -7.769 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.663 -5.499 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.406 -5.808 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.960 -4.207 -0.506 1.00 0.00 H new ATOM 671 N GLU A 39 -3.780 -3.899 -4.552 1.00 0.00 N ATOM 672 CA GLU A 39 -3.552 -3.533 -5.955 1.00 0.00 C ATOM 673 C GLU A 39 -3.707 -2.030 -6.227 1.00 0.00 C ATOM 674 O GLU A 39 -2.900 -1.443 -6.952 1.00 0.00 O ATOM 675 CB GLU A 39 -4.490 -4.369 -6.844 1.00 0.00 C ATOM 676 CG GLU A 39 -4.266 -4.141 -8.344 1.00 0.00 C ATOM 677 CD GLU A 39 -5.148 -5.084 -9.187 1.00 0.00 C ATOM 678 OE1 GLU A 39 -6.337 -4.761 -9.428 1.00 0.00 O ATOM 679 OE2 GLU A 39 -4.654 -6.149 -9.633 1.00 0.00 O ATOM 0 H GLU A 39 -4.631 -4.440 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.513 -3.757 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.347 -5.426 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.524 -4.128 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.493 -3.105 -8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.216 -4.306 -8.587 1.00 0.00 H new ATOM 686 N ASP A 40 -4.691 -1.382 -5.607 1.00 0.00 N ATOM 687 CA ASP A 40 -4.872 0.059 -5.650 1.00 0.00 C ATOM 688 C ASP A 40 -3.683 0.817 -5.034 1.00 0.00 C ATOM 689 O ASP A 40 -3.254 1.833 -5.579 1.00 0.00 O ATOM 690 CB ASP A 40 -6.163 0.360 -4.883 1.00 0.00 C ATOM 691 CG ASP A 40 -7.459 0.300 -5.709 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.440 0.038 -6.936 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.519 0.555 -5.092 1.00 0.00 O ATOM 0 H ASP A 40 -5.399 -1.860 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.932 0.396 -6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.247 -0.347 -4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.080 1.354 -4.444 1.00 0.00 H new ATOM 698 N GLU A 41 -3.105 0.323 -3.932 1.00 0.00 N ATOM 699 CA GLU A 41 -1.962 0.992 -3.294 1.00 0.00 C ATOM 700 C GLU A 41 -0.683 0.806 -4.119 1.00 0.00 C ATOM 701 O GLU A 41 0.083 1.754 -4.295 1.00 0.00 O ATOM 702 CB GLU A 41 -1.713 0.510 -1.853 1.00 0.00 C ATOM 703 CG GLU A 41 -2.820 0.719 -0.803 1.00 0.00 C ATOM 704 CD GLU A 41 -3.359 2.141 -0.653 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.792 3.131 -1.184 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.411 2.318 0.015 1.00 0.00 O ATOM 0 H GLU A 41 -3.407 -0.532 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.222 2.050 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.493 -0.557 -1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.814 1.007 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.654 0.063 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.437 0.396 0.165 1.00 0.00 H new ATOM 713 N GLU A 42 -0.478 -0.376 -4.707 1.00 0.00 N ATOM 714 CA GLU A 42 0.611 -0.613 -5.662 1.00 0.00 C ATOM 715 C GLU A 42 0.549 0.357 -6.859 1.00 0.00 C ATOM 716 O GLU A 42 1.588 0.838 -7.323 1.00 0.00 O ATOM 717 CB GLU A 42 0.583 -2.084 -6.107 1.00 0.00 C ATOM 718 CG GLU A 42 1.797 -2.466 -6.962 1.00 0.00 C ATOM 719 CD GLU A 42 1.796 -3.973 -7.282 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.189 -4.381 -8.303 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.415 -4.761 -6.525 1.00 0.00 O ATOM 0 H GLU A 42 -1.061 -1.195 -4.535 1.00 0.00 H new ATOM 0 HA GLU A 42 1.563 -0.415 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.548 -2.725 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.329 -2.271 -6.674 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.787 -1.894 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.714 -2.203 -6.435 1.00 0.00 H new ATOM 728 N LYS A 43 -0.662 0.715 -7.315 1.00 0.00 N ATOM 729 CA LYS A 43 -0.869 1.721 -8.366 1.00 0.00 C ATOM 730 C LYS A 43 -0.468 3.129 -7.920 1.00 0.00 C ATOM 731 O LYS A 43 0.218 3.824 -8.666 1.00 0.00 O ATOM 732 CB LYS A 43 -2.329 1.687 -8.860 1.00 0.00 C ATOM 733 CG LYS A 43 -2.443 1.967 -10.367 1.00 0.00 C ATOM 734 CD LYS A 43 -1.990 0.771 -11.222 1.00 0.00 C ATOM 735 CE LYS A 43 -2.034 1.126 -12.713 1.00 0.00 C ATOM 736 NZ LYS A 43 -1.599 -0.018 -13.559 1.00 0.00 N ATOM 0 H LYS A 43 -1.530 0.311 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.211 1.463 -9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.762 0.711 -8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.913 2.425 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.476 2.214 -10.611 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.839 2.839 -10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.978 0.479 -10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.634 -0.087 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.047 1.419 -12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.391 1.985 -12.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.641 0.256 -14.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.624 -0.281 -13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.228 -0.830 -13.396 1.00 0.00 H new ATOM 750 N HIS A 44 -0.811 3.548 -6.697 1.00 0.00 N ATOM 751 CA HIS A 44 -0.400 4.815 -6.126 1.00 0.00 C ATOM 752 C HIS A 44 1.121 4.935 -6.016 1.00 0.00 C ATOM 753 O HIS A 44 1.671 5.975 -6.361 1.00 0.00 O ATOM 754 CB HIS A 44 -1.034 4.918 -4.740 1.00 0.00 C ATOM 755 CG HIS A 44 -2.539 4.891 -4.654 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.282 4.792 -3.461 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.389 4.944 -5.716 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.573 4.752 -3.871 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.655 4.837 -5.209 1.00 0.00 N ATOM 0 H HIS A 44 -1.396 2.995 -6.070 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.729 5.625 -6.777 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.649 4.099 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.688 5.844 -4.281 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.117 5.050 -6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.423 4.664 -3.210 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.516 4.824 -5.755 1.00 0.00 H new ATOM 767 N ILE A 45 1.803 3.868 -5.585 1.00 0.00 N ATOM 768 CA ILE A 45 3.269 3.801 -5.470 1.00 0.00 C ATOM 769 C ILE A 45 3.980 4.093 -6.811 1.00 0.00 C ATOM 770 O ILE A 45 4.994 4.794 -6.822 1.00 0.00 O ATOM 771 CB ILE A 45 3.658 2.446 -4.812 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.842 2.581 -3.281 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.949 1.826 -5.378 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.615 3.034 -2.482 1.00 0.00 C ATOM 0 H ILE A 45 1.342 3.004 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 45 3.626 4.597 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 45 2.821 1.788 -5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.167 1.617 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.650 3.289 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.154 0.884 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.827 1.643 -6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.781 2.512 -5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.870 3.090 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.296 4.016 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.805 2.318 -2.622 1.00 0.00 H new ATOM 786 N GLU A 46 3.440 3.643 -7.950 1.00 0.00 N ATOM 787 CA GLU A 46 3.965 3.982 -9.280 1.00 0.00 C ATOM 788 C GLU A 46 3.814 5.475 -9.617 1.00 0.00 C ATOM 789 O GLU A 46 4.726 6.094 -10.174 1.00 0.00 O ATOM 790 CB GLU A 46 3.235 3.144 -10.344 1.00 0.00 C ATOM 791 CG GLU A 46 3.638 1.665 -10.373 1.00 0.00 C ATOM 792 CD GLU A 46 5.023 1.464 -11.019 1.00 0.00 C ATOM 793 OE1 GLU A 46 5.102 1.338 -12.266 1.00 0.00 O ATOM 794 OE2 GLU A 46 6.043 1.425 -10.289 1.00 0.00 O ATOM 0 H GLU A 46 2.624 3.032 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 46 5.032 3.758 -9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.161 3.212 -10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.426 3.579 -11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.650 1.271 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.892 1.095 -10.927 1.00 0.00 H new ATOM 801 N TRP A 47 2.677 6.077 -9.261 1.00 0.00 N ATOM 802 CA TRP A 47 2.383 7.483 -9.515 1.00 0.00 C ATOM 803 C TRP A 47 3.206 8.402 -8.610 1.00 0.00 C ATOM 804 O TRP A 47 3.683 9.442 -9.051 1.00 0.00 O ATOM 805 CB TRP A 47 0.892 7.746 -9.262 1.00 0.00 C ATOM 806 CG TRP A 47 -0.144 6.904 -9.952 1.00 0.00 C ATOM 807 CD1 TRP A 47 0.030 6.099 -11.026 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.557 6.786 -9.601 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.165 5.468 -11.332 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.182 5.859 -10.484 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.372 7.379 -8.618 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.543 5.528 -10.379 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.742 7.072 -8.503 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.326 6.137 -9.379 1.00 0.00 C ATOM 0 H TRP A 47 1.922 5.588 -8.779 1.00 0.00 H new ATOM 0 HA TRP A 47 2.641 7.697 -10.552 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.723 7.654 -8.189 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.696 8.785 -9.528 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.958 5.968 -11.562 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.279 4.796 -12.091 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.934 8.090 -7.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.985 4.814 -11.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.343 7.552 -7.745 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.372 5.887 -9.284 1.00 0.00 H new ATOM 825 N LEU A 48 3.420 7.995 -7.359 1.00 0.00 N ATOM 826 CA LEU A 48 4.277 8.658 -6.380 1.00 0.00 C ATOM 827 C LEU A 48 5.687 8.916 -6.929 1.00 0.00 C ATOM 828 O LEU A 48 6.204 10.030 -6.864 1.00 0.00 O ATOM 829 CB LEU A 48 4.351 7.751 -5.135 1.00 0.00 C ATOM 830 CG LEU A 48 3.696 8.277 -3.861 1.00 0.00 C ATOM 831 CD1 LEU A 48 4.177 9.673 -3.473 1.00 0.00 C ATOM 832 CD2 LEU A 48 2.172 8.285 -3.929 1.00 0.00 C ATOM 0 H LEU A 48 2.979 7.155 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 48 3.854 9.632 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.891 6.795 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.401 7.553 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 48 4.009 7.570 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.674 9.990 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.254 9.654 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.947 10.373 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.768 8.670 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.848 8.921 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.810 7.270 -4.090 1.00 0.00 H new ATOM 844 N GLU A 49 6.288 7.881 -7.515 1.00 0.00 N ATOM 845 CA GLU A 49 7.603 7.980 -8.174 1.00 0.00 C ATOM 846 C GLU A 49 7.573 8.845 -9.443 1.00 0.00 C ATOM 847 O GLU A 49 8.474 9.635 -9.707 1.00 0.00 O ATOM 848 CB GLU A 49 8.096 6.576 -8.539 1.00 0.00 C ATOM 849 CG GLU A 49 9.606 6.497 -8.824 1.00 0.00 C ATOM 850 CD GLU A 49 10.496 6.776 -7.590 1.00 0.00 C ATOM 851 OE1 GLU A 49 10.681 7.961 -7.216 1.00 0.00 O ATOM 852 OE2 GLU A 49 11.061 5.813 -7.019 1.00 0.00 O ATOM 0 H GLU A 49 5.882 6.946 -7.550 1.00 0.00 H new ATOM 0 HA GLU A 49 8.278 8.461 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.854 5.894 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.552 6.228 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.841 5.505 -9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.855 7.212 -9.608 1.00 0.00 H new ATOM 859 N THR A 50 6.503 8.731 -10.223 1.00 0.00 N ATOM 860 CA THR A 50 6.228 9.566 -11.398 1.00 0.00 C ATOM 861 C THR A 50 6.093 11.062 -11.053 1.00 0.00 C ATOM 862 O THR A 50 6.462 11.927 -11.850 1.00 0.00 O ATOM 863 CB THR A 50 4.975 9.026 -12.105 1.00 0.00 C ATOM 864 OG1 THR A 50 5.153 7.676 -12.489 1.00 0.00 O ATOM 865 CG2 THR A 50 4.654 9.776 -13.382 1.00 0.00 C ATOM 0 H THR A 50 5.777 8.034 -10.054 1.00 0.00 H new ATOM 0 HA THR A 50 7.082 9.506 -12.072 1.00 0.00 H new ATOM 0 HB THR A 50 4.168 9.145 -11.382 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.015 7.094 -11.713 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.760 9.351 -13.838 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.480 10.827 -13.153 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.491 9.689 -14.075 1.00 0.00 H new ATOM 873 N ILE A 51 5.617 11.370 -9.844 1.00 0.00 N ATOM 874 CA ILE A 51 5.483 12.723 -9.267 1.00 0.00 C ATOM 875 C ILE A 51 6.810 13.269 -8.700 1.00 0.00 C ATOM 876 O ILE A 51 6.993 14.482 -8.573 1.00 0.00 O ATOM 877 CB ILE A 51 4.318 12.710 -8.235 1.00 0.00 C ATOM 878 CG1 ILE A 51 2.959 12.600 -8.970 1.00 0.00 C ATOM 879 CG2 ILE A 51 4.288 13.937 -7.306 1.00 0.00 C ATOM 880 CD1 ILE A 51 1.796 12.172 -8.063 1.00 0.00 C ATOM 0 H ILE A 51 5.295 10.647 -9.201 1.00 0.00 H new ATOM 0 HA ILE A 51 5.233 13.429 -10.059 1.00 0.00 H new ATOM 0 HB ILE A 51 4.494 11.840 -7.602 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.721 13.564 -9.420 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.055 11.883 -9.785 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.447 13.852 -6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.218 13.987 -6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.178 14.842 -7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.879 12.117 -8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.011 11.194 -7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.672 12.901 -7.262 1.00 0.00 H new ATOM 892 N ASN A 52 7.755 12.378 -8.409 1.00 0.00 N ATOM 893 CA ASN A 52 9.112 12.686 -7.937 1.00 0.00 C ATOM 894 C ASN A 52 9.995 13.323 -9.042 1.00 0.00 C ATOM 895 O ASN A 52 9.673 13.265 -10.235 1.00 0.00 O ATOM 896 CB ASN A 52 9.718 11.380 -7.374 1.00 0.00 C ATOM 897 CG ASN A 52 10.941 11.546 -6.490 1.00 0.00 C ATOM 898 OD1 ASN A 52 11.308 12.632 -6.061 1.00 0.00 O ATOM 899 ND2 ASN A 52 11.618 10.460 -6.200 1.00 0.00 N ATOM 0 H ASN A 52 7.593 11.375 -8.498 1.00 0.00 H new ATOM 0 HA ASN A 52 9.068 13.441 -7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.948 10.861 -6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.983 10.734 -8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.452 10.520 -5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.310 9.556 -6.559 1.00 0.00 H new ATOM 906 N GLY A 53 11.130 13.916 -8.649 1.00 0.00 N ATOM 907 CA GLY A 53 12.093 14.585 -9.540 1.00 0.00 C ATOM 908 C GLY A 53 13.339 15.076 -8.804 1.00 0.00 C ATOM 909 O GLY A 53 13.269 16.156 -8.177 1.00 0.00 O ATOM 910 OXT GLY A 53 14.376 14.379 -8.861 1.00 0.00 O ATOM 0 H GLY A 53 11.415 13.945 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.391 13.895 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.606 15.431 -10.024 1.00 0.00 H new TER 914 GLY A 53 ATOM 915 N MET B 1 -6.902 -10.723 19.040 1.00 0.00 N ATOM 916 CA MET B 1 -6.754 -10.581 17.568 1.00 0.00 C ATOM 917 C MET B 1 -7.407 -9.277 17.096 1.00 0.00 C ATOM 918 O MET B 1 -8.626 -9.131 17.161 1.00 0.00 O ATOM 919 CB MET B 1 -7.328 -11.810 16.829 1.00 0.00 C ATOM 920 CG MET B 1 -7.086 -11.767 15.311 1.00 0.00 C ATOM 921 SD MET B 1 -7.833 -13.134 14.370 1.00 0.00 S ATOM 922 CE MET B 1 -6.776 -14.524 14.863 1.00 0.00 C ATOM 0 H1 MET B 1 -6.456 -11.610 19.350 1.00 0.00 H new ATOM 0 H2 MET B 1 -6.442 -9.920 19.514 1.00 0.00 H new ATOM 0 H3 MET B 1 -7.912 -10.738 19.287 1.00 0.00 H new ATOM 0 HA MET B 1 -5.692 -10.533 17.326 1.00 0.00 H new ATOM 0 HB2 MET B 1 -6.878 -12.715 17.237 1.00 0.00 H new ATOM 0 HB3 MET B 1 -8.400 -11.873 17.019 1.00 0.00 H new ATOM 0 HG2 MET B 1 -7.474 -10.825 14.924 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.011 -11.767 15.130 1.00 0.00 H new ATOM 0 HE1 MET B 1 -7.114 -15.433 14.364 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.745 -14.316 14.578 1.00 0.00 H new ATOM 0 HE3 MET B 1 -6.834 -14.660 15.943 1.00 0.00 H new ATOM 934 N ASP B 2 -6.601 -8.322 16.620 1.00 0.00 N ATOM 935 CA ASP B 2 -7.047 -7.053 16.020 1.00 0.00 C ATOM 936 C ASP B 2 -6.016 -6.565 14.986 1.00 0.00 C ATOM 937 O ASP B 2 -4.815 -6.536 15.267 1.00 0.00 O ATOM 938 CB ASP B 2 -7.239 -5.993 17.121 1.00 0.00 C ATOM 939 CG ASP B 2 -7.561 -4.590 16.565 1.00 0.00 C ATOM 940 OD1 ASP B 2 -8.250 -4.482 15.522 1.00 0.00 O ATOM 941 OD2 ASP B 2 -7.120 -3.588 17.177 1.00 0.00 O ATOM 0 H ASP B 2 -5.585 -8.411 16.641 1.00 0.00 H new ATOM 0 HA ASP B 2 -7.999 -7.214 15.514 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -8.046 -6.308 17.783 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -6.334 -5.938 17.725 1.00 0.00 H new ATOM 946 N TYR B 3 -6.485 -6.206 13.788 1.00 0.00 N ATOM 947 CA TYR B 3 -5.648 -5.792 12.655 1.00 0.00 C ATOM 948 C TYR B 3 -6.403 -4.900 11.643 1.00 0.00 C ATOM 949 O TYR B 3 -6.164 -5.021 10.446 1.00 0.00 O ATOM 950 CB TYR B 3 -5.009 -7.043 12.002 1.00 0.00 C ATOM 951 CG TYR B 3 -5.966 -8.105 11.473 1.00 0.00 C ATOM 952 CD1 TYR B 3 -6.426 -9.130 12.324 1.00 0.00 C ATOM 953 CD2 TYR B 3 -6.368 -8.091 10.123 1.00 0.00 C ATOM 954 CE1 TYR B 3 -7.296 -10.124 11.832 1.00 0.00 C ATOM 955 CE2 TYR B 3 -7.252 -9.072 9.634 1.00 0.00 C ATOM 956 CZ TYR B 3 -7.714 -10.096 10.485 1.00 0.00 C ATOM 957 OH TYR B 3 -8.566 -11.044 10.007 1.00 0.00 O ATOM 0 H TYR B 3 -7.482 -6.194 13.572 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.847 -5.156 13.033 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.379 -6.711 11.177 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -4.353 -7.512 12.735 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -6.111 -9.154 13.357 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -5.996 -7.324 9.460 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -7.643 -10.909 12.488 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.577 -9.040 8.604 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.749 -10.872 9.060 1.00 0.00 H new ATOM 967 N LEU B 4 -7.339 -4.032 12.074 1.00 0.00 N ATOM 968 CA LEU B 4 -8.247 -3.316 11.149 1.00 0.00 C ATOM 969 C LEU B 4 -8.552 -1.834 11.402 1.00 0.00 C ATOM 970 O LEU B 4 -8.906 -1.124 10.462 1.00 0.00 O ATOM 971 CB LEU B 4 -9.544 -4.117 11.014 1.00 0.00 C ATOM 972 CG LEU B 4 -10.459 -4.129 12.252 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.553 -3.057 12.189 1.00 0.00 C ATOM 974 CD2 LEU B 4 -11.162 -5.482 12.384 1.00 0.00 C ATOM 0 H LEU B 4 -7.488 -3.808 13.058 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.675 -3.262 10.223 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.109 -3.717 10.172 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.288 -5.147 10.765 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.809 -3.930 13.104 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -12.168 -3.112 13.087 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -11.093 -2.071 12.124 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -12.177 -3.225 11.311 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.805 -5.474 13.264 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -11.766 -5.667 11.495 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.417 -6.271 12.487 1.00 0.00 H new ATOM 986 N ARG B 5 -8.368 -1.341 12.627 1.00 0.00 N ATOM 987 CA ARG B 5 -8.416 0.094 12.940 1.00 0.00 C ATOM 988 C ARG B 5 -7.045 0.677 12.629 1.00 0.00 C ATOM 989 O ARG B 5 -6.933 1.749 12.049 1.00 0.00 O ATOM 990 CB ARG B 5 -8.822 0.291 14.412 1.00 0.00 C ATOM 991 CG ARG B 5 -9.247 1.743 14.686 1.00 0.00 C ATOM 992 CD ARG B 5 -9.499 2.006 16.176 1.00 0.00 C ATOM 993 NE ARG B 5 -8.235 2.093 16.939 1.00 0.00 N ATOM 994 CZ ARG B 5 -8.073 2.584 18.155 1.00 0.00 C ATOM 995 NH1 ARG B 5 -9.069 3.043 18.859 1.00 0.00 N ATOM 996 NH2 ARG B 5 -6.888 2.637 18.690 1.00 0.00 N ATOM 0 H ARG B 5 -8.180 -1.928 13.439 1.00 0.00 H new ATOM 0 HA ARG B 5 -9.163 0.613 12.339 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -9.643 -0.383 14.658 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -7.987 0.026 15.060 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -8.472 2.420 14.326 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -10.153 1.967 14.122 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -10.058 2.934 16.292 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -10.117 1.208 16.587 1.00 0.00 H new ATOM 0 HE ARG B 5 -7.399 1.736 16.477 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -10.014 3.031 18.474 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -8.904 3.414 19.795 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -6.078 2.299 18.170 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -6.769 3.017 19.629 1.00 0.00 H new ATOM 1010 N GLU B 6 -6.014 -0.128 12.881 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.643 0.033 12.411 1.00 0.00 C ATOM 1012 C GLU B 6 -4.556 0.286 10.890 1.00 0.00 C ATOM 1013 O GLU B 6 -3.840 1.181 10.443 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.868 -1.231 12.846 1.00 0.00 C ATOM 1015 CG GLU B 6 -2.385 -0.915 13.064 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.634 -2.080 13.743 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -1.845 -3.260 13.373 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -0.824 -1.817 14.666 1.00 0.00 O ATOM 0 H GLU B 6 -6.123 -0.963 13.456 1.00 0.00 H new ATOM 0 HA GLU B 6 -4.198 0.923 12.855 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -4.298 -1.628 13.765 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.971 -2.005 12.086 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.918 -0.694 12.104 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.293 -0.019 13.678 1.00 0.00 H new ATOM 1025 N LEU B 7 -5.365 -0.440 10.103 1.00 0.00 N ATOM 1026 CA LEU B 7 -5.473 -0.316 8.636 1.00 0.00 C ATOM 1027 C LEU B 7 -6.371 0.831 8.148 1.00 0.00 C ATOM 1028 O LEU B 7 -6.536 0.988 6.946 1.00 0.00 O ATOM 1029 CB LEU B 7 -6.012 -1.626 8.030 1.00 0.00 C ATOM 1030 CG LEU B 7 -5.174 -2.878 8.295 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -5.797 -4.049 7.537 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -3.724 -2.712 7.860 1.00 0.00 C ATOM 0 H LEU B 7 -5.985 -1.156 10.481 1.00 0.00 H new ATOM 0 HA LEU B 7 -4.459 -0.095 8.303 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -7.017 -1.796 8.416 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -6.103 -1.495 6.952 1.00 0.00 H new ATOM 0 HG LEU B 7 -5.170 -3.059 9.370 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.211 -4.951 7.715 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -6.818 -4.205 7.884 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -5.807 -3.828 6.470 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.174 -3.629 8.070 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.686 -2.504 6.791 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -3.272 -1.884 8.407 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.956 1.622 9.044 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.926 2.681 8.730 1.00 0.00 C ATOM 1046 C TYR B 8 -7.421 4.024 9.201 1.00 0.00 C ATOM 1047 O TYR B 8 -7.466 4.995 8.465 1.00 0.00 O ATOM 1048 CB TYR B 8 -9.212 2.352 9.503 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.433 3.225 9.262 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -11.019 3.306 7.984 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.034 3.897 10.346 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -12.226 4.007 7.801 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.225 4.627 10.160 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.831 4.676 8.887 1.00 0.00 C ATOM 1055 OH TYR B 8 -13.988 5.368 8.697 1.00 0.00 O ATOM 0 H TYR B 8 -6.765 1.545 10.043 1.00 0.00 H new ATOM 0 HA TYR B 8 -8.090 2.728 7.654 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -9.487 1.323 9.272 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.980 2.389 10.567 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -10.541 2.829 7.141 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -10.579 3.852 11.324 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -12.691 4.033 6.826 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -12.674 5.149 10.992 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.272 5.769 9.545 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.884 4.058 10.412 1.00 0.00 N ATOM 1066 CA LYS B 9 -6.276 5.248 11.012 1.00 0.00 C ATOM 1067 C LYS B 9 -5.054 5.764 10.263 1.00 0.00 C ATOM 1068 O LYS B 9 -5.039 6.929 9.874 1.00 0.00 O ATOM 1069 CB LYS B 9 -6.002 4.975 12.505 1.00 0.00 C ATOM 1070 CG LYS B 9 -7.279 5.263 13.312 1.00 0.00 C ATOM 1071 CD LYS B 9 -7.054 5.158 14.826 1.00 0.00 C ATOM 1072 CE LYS B 9 -8.332 5.471 15.624 1.00 0.00 C ATOM 1073 NZ LYS B 9 -8.723 6.906 15.545 1.00 0.00 N ATOM 0 H LYS B 9 -6.856 3.242 11.023 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.988 6.069 10.928 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -5.693 3.940 12.647 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -5.184 5.603 12.858 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -7.640 6.263 13.070 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -8.059 4.562 13.014 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -6.710 4.153 15.072 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -6.264 5.847 15.123 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -9.149 4.855 15.249 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -8.180 5.197 16.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -9.560 7.071 16.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -7.937 7.499 15.880 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -8.946 7.151 14.559 1.00 0.00 H new ATOM 1087 N LEU B 10 -4.072 4.914 9.981 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.915 5.282 9.165 1.00 0.00 C ATOM 1089 C LEU B 10 -3.292 5.548 7.694 1.00 0.00 C ATOM 1090 O LEU B 10 -2.776 6.479 7.077 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.800 4.236 9.344 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.984 4.537 10.620 1.00 0.00 C ATOM 1093 CD1 LEU B 10 -0.273 3.294 11.143 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.078 5.606 10.356 1.00 0.00 C ATOM 0 H LEU B 10 -4.054 3.949 10.311 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.524 6.236 9.517 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.235 3.238 9.409 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.143 4.242 8.474 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.700 4.890 11.363 1.00 0.00 H new ATOM 0 HD11 LEU B 10 0.290 3.548 12.041 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -1.010 2.527 11.381 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.410 2.918 10.381 1.00 0.00 H new ATOM 0 HD21 LEU B 10 0.637 5.798 11.272 1.00 0.00 H new ATOM 0 HD22 LEU B 10 0.760 5.257 9.581 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -0.406 6.526 10.027 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.273 4.811 7.167 1.00 0.00 N ATOM 1107 CA GLU B 11 -4.957 5.098 5.898 1.00 0.00 C ATOM 1108 C GLU B 11 -5.631 6.489 5.892 1.00 0.00 C ATOM 1109 O GLU B 11 -5.512 7.216 4.903 1.00 0.00 O ATOM 1110 CB GLU B 11 -5.945 3.937 5.631 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.392 2.878 4.657 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.468 3.230 3.168 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -4.555 3.732 2.496 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.322 2.818 2.358 1.00 0.00 O ATOM 0 H GLU B 11 -4.626 3.971 7.624 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.235 5.152 5.083 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.194 3.456 6.577 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -6.872 4.344 5.227 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.350 2.688 4.912 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -5.935 1.947 4.818 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.267 6.929 6.990 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.911 8.235 7.079 1.00 0.00 C ATOM 1123 C GLN B 12 -5.954 9.386 7.378 1.00 0.00 C ATOM 1124 O GLN B 12 -6.206 10.505 6.946 1.00 0.00 O ATOM 1125 CB GLN B 12 -8.053 8.198 8.095 1.00 0.00 C ATOM 1126 CG GLN B 12 -9.275 7.521 7.465 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.518 7.566 8.355 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -10.460 7.596 9.577 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.697 7.610 7.770 1.00 0.00 N ATOM 0 H GLN B 12 -6.345 6.378 7.845 1.00 0.00 H new ATOM 0 HA GLN B 12 -7.310 8.440 6.086 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.743 7.655 8.987 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -8.307 9.210 8.410 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.500 8.005 6.514 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -9.032 6.482 7.244 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.763 7.586 6.752 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.545 7.668 8.334 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.832 9.129 8.045 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.753 10.112 8.204 1.00 0.00 C ATOM 1140 C GLN B 13 -3.104 10.464 6.863 1.00 0.00 C ATOM 1141 O GLN B 13 -2.807 11.636 6.631 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.685 9.617 9.194 1.00 0.00 C ATOM 1143 CG GLN B 13 -3.147 9.734 10.656 1.00 0.00 C ATOM 1144 CD GLN B 13 -2.051 9.384 11.666 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -1.029 8.784 11.364 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -2.213 9.762 12.918 1.00 0.00 N ATOM 0 H GLN B 13 -4.641 8.233 8.493 1.00 0.00 H new ATOM 0 HA GLN B 13 -4.208 11.016 8.608 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -2.442 8.577 8.974 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.770 10.194 9.057 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.491 10.752 10.841 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -4.001 9.075 10.814 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -3.057 10.264 13.194 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -1.494 9.553 13.611 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.964 9.499 5.947 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.537 9.778 4.580 1.00 0.00 C ATOM 1157 C ALA B 14 -3.608 10.603 3.854 1.00 0.00 C ATOM 1158 O ALA B 14 -3.274 11.611 3.243 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.234 8.456 3.862 1.00 0.00 C ATOM 0 H ALA B 14 -3.143 8.512 6.134 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.623 10.372 4.585 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.915 8.662 2.840 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.440 7.928 4.391 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.131 7.838 3.844 1.00 0.00 H new ATOM 1165 N MET B 15 -4.896 10.256 3.993 1.00 0.00 N ATOM 1166 CA MET B 15 -5.996 11.046 3.400 1.00 0.00 C ATOM 1167 C MET B 15 -6.033 12.492 3.913 1.00 0.00 C ATOM 1168 O MET B 15 -6.252 13.424 3.136 1.00 0.00 O ATOM 1169 CB MET B 15 -7.362 10.403 3.691 1.00 0.00 C ATOM 1170 CG MET B 15 -7.624 9.132 2.881 1.00 0.00 C ATOM 1171 SD MET B 15 -9.222 9.138 2.019 1.00 0.00 S ATOM 1172 CE MET B 15 -8.910 10.483 0.837 1.00 0.00 C ATOM 0 H MET B 15 -5.206 9.434 4.511 1.00 0.00 H new ATOM 0 HA MET B 15 -5.801 11.058 2.328 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.424 10.166 4.753 1.00 0.00 H new ATOM 0 HB3 MET B 15 -8.148 11.128 3.479 1.00 0.00 H new ATOM 0 HG2 MET B 15 -6.826 9.006 2.149 1.00 0.00 H new ATOM 0 HG3 MET B 15 -7.583 8.271 3.548 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.622 10.417 0.015 1.00 0.00 H new ATOM 0 HE2 MET B 15 -9.024 11.443 1.340 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.896 10.396 0.446 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.792 12.696 5.212 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.757 14.027 5.825 1.00 0.00 C ATOM 1184 C LYS B 16 -4.561 14.844 5.329 1.00 0.00 C ATOM 1185 O LYS B 16 -4.699 16.033 5.043 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.752 13.897 7.357 1.00 0.00 C ATOM 1187 CG LYS B 16 -6.785 14.834 8.012 1.00 0.00 C ATOM 1188 CD LYS B 16 -7.452 14.191 9.235 1.00 0.00 C ATOM 1189 CE LYS B 16 -8.354 12.983 8.909 1.00 0.00 C ATOM 1190 NZ LYS B 16 -9.583 13.373 8.163 1.00 0.00 N ATOM 0 H LYS B 16 -5.615 11.938 5.871 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.654 14.568 5.525 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -5.968 12.866 7.635 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.758 14.128 7.739 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -6.295 15.760 8.312 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -7.548 15.099 7.281 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -6.676 13.872 9.931 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -8.048 14.946 9.747 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -7.789 12.261 8.320 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -8.638 12.485 9.836 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -10.154 12.526 7.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -10.138 14.042 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -9.316 13.824 7.265 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.410 14.189 5.144 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.258 14.760 4.437 1.00 0.00 C ATOM 1206 C LEU B 17 -2.593 15.121 2.982 1.00 0.00 C ATOM 1207 O LEU B 17 -2.236 16.202 2.523 1.00 0.00 O ATOM 1208 CB LEU B 17 -1.065 13.782 4.509 1.00 0.00 C ATOM 1209 CG LEU B 17 0.112 14.347 5.320 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.186 13.276 5.482 1.00 0.00 C ATOM 1211 CD2 LEU B 17 0.762 15.567 4.661 1.00 0.00 C ATOM 0 H LEU B 17 -3.250 13.240 5.483 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.985 15.692 4.932 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.394 12.845 4.958 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.728 13.550 3.499 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.298 14.655 6.282 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.019 13.680 6.057 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.767 12.416 6.005 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.541 12.965 4.499 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.586 15.920 5.281 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.141 15.290 3.677 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.022 16.361 4.555 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.325 14.256 2.275 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.744 14.451 0.883 1.00 0.00 C ATOM 1225 C TYR B 18 -4.658 15.673 0.674 1.00 0.00 C ATOM 1226 O TYR B 18 -4.517 16.361 -0.341 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.368 13.140 0.358 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.391 12.274 -0.419 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.904 12.714 -1.662 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -2.924 11.061 0.121 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -1.888 11.994 -2.320 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -1.888 10.351 -0.514 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.344 10.839 -1.721 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.301 10.196 -2.309 1.00 0.00 O ATOM 0 H TYR B 18 -3.653 13.373 2.667 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.858 14.686 0.294 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.757 12.569 1.201 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.216 13.381 -0.282 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.310 13.607 -2.114 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.363 10.673 1.028 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.526 12.326 -3.282 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.511 9.437 -0.079 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.047 9.420 -1.766 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.525 16.016 1.642 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.285 17.287 1.642 1.00 0.00 C ATOM 1246 C ARG B 19 -5.371 18.519 1.597 1.00 0.00 C ATOM 1247 O ARG B 19 -5.622 19.448 0.834 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.229 17.318 2.864 1.00 0.00 C ATOM 1249 CG ARG B 19 -7.900 18.686 3.092 1.00 0.00 C ATOM 1250 CD ARG B 19 -8.878 18.649 4.274 1.00 0.00 C ATOM 1251 NE ARG B 19 -9.218 20.011 4.741 1.00 0.00 N ATOM 1252 CZ ARG B 19 -10.073 20.866 4.207 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -10.783 20.581 3.152 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -10.231 22.048 4.732 1.00 0.00 N ATOM 0 H ARG B 19 -5.722 15.423 2.448 1.00 0.00 H new ATOM 0 HA ARG B 19 -6.881 17.329 0.730 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -8.002 16.561 2.734 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -6.664 17.047 3.756 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -7.135 19.440 3.276 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.432 18.985 2.189 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -9.788 18.127 3.978 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -8.438 18.082 5.094 1.00 0.00 H new ATOM 0 HE ARG B 19 -8.732 20.330 5.579 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -10.690 19.668 2.706 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -11.432 21.271 2.772 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -9.694 22.315 5.557 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -10.891 22.706 4.318 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.313 18.536 2.405 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.405 19.687 2.547 1.00 0.00 C ATOM 1270 C GLU B 20 -2.351 19.744 1.438 1.00 0.00 C ATOM 1271 O GLU B 20 -2.050 20.815 0.912 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.721 19.588 3.921 1.00 0.00 C ATOM 1273 CG GLU B 20 -2.579 20.925 4.660 1.00 0.00 C ATOM 1274 CD GLU B 20 -1.505 21.851 4.055 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -0.308 21.471 4.038 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -1.845 22.987 3.646 1.00 0.00 O ATOM 0 H GLU B 20 -4.053 17.742 2.991 1.00 0.00 H new ATOM 0 HA GLU B 20 -3.990 20.603 2.465 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.290 18.900 4.547 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.730 19.154 3.789 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -3.539 21.440 4.650 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -2.333 20.730 5.704 1.00 0.00 H new ATOM 1283 N ALA B 21 -1.862 18.578 1.015 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.043 18.426 -0.186 1.00 0.00 C ATOM 1285 C ALA B 21 -1.736 19.004 -1.432 1.00 0.00 C ATOM 1286 O ALA B 21 -1.065 19.583 -2.283 1.00 0.00 O ATOM 1287 CB ALA B 21 -0.692 16.948 -0.374 1.00 0.00 C ATOM 0 H ALA B 21 -2.027 17.699 1.506 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.124 18.997 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.081 16.830 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.137 16.593 0.494 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.608 16.367 -0.481 1.00 0.00 H new ATOM 1293 N SER B 22 -3.071 18.934 -1.512 1.00 0.00 N ATOM 1294 CA SER B 22 -3.859 19.608 -2.557 1.00 0.00 C ATOM 1295 C SER B 22 -3.713 21.143 -2.578 1.00 0.00 C ATOM 1296 O SER B 22 -3.893 21.743 -3.637 1.00 0.00 O ATOM 1297 CB SER B 22 -5.339 19.222 -2.451 1.00 0.00 C ATOM 1298 OG SER B 22 -6.004 19.484 -3.676 1.00 0.00 O ATOM 0 H SER B 22 -3.640 18.406 -0.851 1.00 0.00 H new ATOM 0 HA SER B 22 -3.445 19.255 -3.502 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.429 18.165 -2.199 1.00 0.00 H new ATOM 0 HB3 SER B 22 -5.812 19.784 -1.645 1.00 0.00 H new ATOM 0 HG SER B 22 -6.900 19.089 -3.653 1.00 0.00 H new ATOM 1304 N GLU B 23 -3.364 21.810 -1.466 1.00 0.00 N ATOM 1305 CA GLU B 23 -3.066 23.258 -1.472 1.00 0.00 C ATOM 1306 C GLU B 23 -1.700 23.587 -2.086 1.00 0.00 C ATOM 1307 O GLU B 23 -1.565 24.578 -2.806 1.00 0.00 O ATOM 1308 CB GLU B 23 -3.144 23.821 -0.045 1.00 0.00 C ATOM 1309 CG GLU B 23 -3.581 25.293 -0.063 1.00 0.00 C ATOM 1310 CD GLU B 23 -3.716 25.873 1.359 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -4.770 25.659 2.008 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -2.792 26.588 1.819 1.00 0.00 O ATOM 0 H GLU B 23 -3.280 21.372 -0.549 1.00 0.00 H new ATOM 0 HA GLU B 23 -3.821 23.729 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -3.849 23.235 0.544 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.172 23.731 0.440 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.855 25.880 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -4.535 25.382 -0.583 1.00 0.00 H new ATOM 1319 N LYS B 24 -0.698 22.733 -1.859 1.00 0.00 N ATOM 1320 CA LYS B 24 0.594 22.790 -2.575 1.00 0.00 C ATOM 1321 C LYS B 24 0.463 22.376 -4.050 1.00 0.00 C ATOM 1322 O LYS B 24 1.059 23.004 -4.924 1.00 0.00 O ATOM 1323 CB LYS B 24 1.635 21.914 -1.858 1.00 0.00 C ATOM 1324 CG LYS B 24 2.105 22.451 -0.495 1.00 0.00 C ATOM 1325 CD LYS B 24 2.957 23.726 -0.620 1.00 0.00 C ATOM 1326 CE LYS B 24 3.514 24.137 0.748 1.00 0.00 C ATOM 1327 NZ LYS B 24 4.370 25.349 0.649 1.00 0.00 N ATOM 0 H LYS B 24 -0.753 21.979 -1.174 1.00 0.00 H new ATOM 0 HA LYS B 24 0.928 23.828 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS B 24 1.214 20.919 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS B 24 2.503 21.802 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS B 24 1.235 22.660 0.128 1.00 0.00 H new ATOM 0 HG3 LYS B 24 2.684 21.681 0.014 1.00 0.00 H new ATOM 0 HD2 LYS B 24 3.778 23.555 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS B 24 2.353 24.535 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS B 24 2.689 24.328 1.435 1.00 0.00 H new ATOM 0 HE3 LYS B 24 4.094 23.315 1.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 4.729 25.598 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 5.170 25.158 0.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 3.810 26.140 0.272 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.375 21.379 -4.337 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.694 20.855 -5.669 1.00 0.00 C ATOM 1343 C ALA B 25 -1.890 21.566 -6.347 1.00 0.00 C ATOM 1344 O ALA B 25 -2.595 20.963 -7.160 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.940 19.347 -5.535 1.00 0.00 C ATOM 0 H ALA B 25 -0.881 20.885 -3.602 1.00 0.00 H new ATOM 0 HA ALA B 25 0.152 21.052 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -1.180 18.929 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.043 18.865 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.772 19.173 -4.852 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.133 22.843 -6.014 1.00 0.00 N ATOM 1352 CA ARG B 26 -3.243 23.681 -6.521 1.00 0.00 C ATOM 1353 C ARG B 26 -3.382 23.706 -8.055 1.00 0.00 C ATOM 1354 O ARG B 26 -4.482 23.894 -8.574 1.00 0.00 O ATOM 1355 CB ARG B 26 -3.049 25.114 -5.978 1.00 0.00 C ATOM 1356 CG ARG B 26 -4.353 25.834 -5.605 1.00 0.00 C ATOM 1357 CD ARG B 26 -4.863 25.344 -4.244 1.00 0.00 C ATOM 1358 NE ARG B 26 -6.036 26.116 -3.785 1.00 0.00 N ATOM 1359 CZ ARG B 26 -6.031 27.252 -3.107 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -4.929 27.859 -2.765 1.00 0.00 N ATOM 1361 NH2 ARG B 26 -7.154 27.812 -2.757 1.00 0.00 N ATOM 0 H ARG B 26 -1.538 23.346 -5.356 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.171 23.234 -6.164 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -2.407 25.072 -5.098 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -2.524 25.705 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -4.185 26.910 -5.572 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -5.108 25.653 -6.370 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -5.127 24.289 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -4.064 25.424 -3.507 1.00 0.00 H new ATOM 0 HE ARG B 26 -6.951 25.730 -4.017 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -4.026 27.459 -3.020 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -4.970 28.734 -2.242 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -8.041 27.375 -3.006 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -7.146 28.688 -2.234 1.00 0.00 H new ATOM 1375 N ASN B 27 -2.270 23.527 -8.772 1.00 0.00 N ATOM 1376 CA ASN B 27 -2.195 23.474 -10.236 1.00 0.00 C ATOM 1377 C ASN B 27 -2.837 22.174 -10.783 1.00 0.00 C ATOM 1378 O ASN B 27 -2.502 21.088 -10.298 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.706 23.591 -10.621 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.489 23.641 -12.124 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.776 22.698 -12.844 1.00 0.00 O ATOM 1382 ND2 ASN B 27 0.001 24.739 -12.653 1.00 0.00 N ATOM 0 H ASN B 27 -1.358 23.410 -8.330 1.00 0.00 H new ATOM 0 HA ASN B 27 -2.759 24.294 -10.682 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -0.288 24.490 -10.168 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.161 22.742 -10.208 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.140 24.801 -13.662 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.242 25.529 -12.055 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.713 22.230 -11.810 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.524 21.087 -12.252 1.00 0.00 C ATOM 1391 C PRO B 28 -3.717 19.896 -12.791 1.00 0.00 C ATOM 1392 O PRO B 28 -4.204 18.766 -12.753 1.00 0.00 O ATOM 1393 CB PRO B 28 -5.502 21.647 -13.293 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.790 22.884 -13.832 1.00 0.00 C ATOM 1395 CD PRO B 28 -4.025 23.400 -12.616 1.00 0.00 C ATOM 0 HA PRO B 28 -5.041 20.655 -11.395 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.702 20.924 -14.084 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.462 21.902 -12.844 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -4.119 22.637 -14.655 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.496 23.624 -14.208 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -3.115 23.918 -12.919 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.626 24.113 -12.052 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.470 20.114 -13.219 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.537 19.069 -13.673 1.00 0.00 C ATOM 1405 C GLU B 29 -1.221 18.029 -12.589 1.00 0.00 C ATOM 1406 O GLU B 29 -0.960 16.862 -12.885 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.231 19.739 -14.123 1.00 0.00 C ATOM 1408 CG GLU B 29 0.522 18.976 -15.220 1.00 0.00 C ATOM 1409 CD GLU B 29 -0.210 19.041 -16.576 1.00 0.00 C ATOM 1410 OE1 GLU B 29 -0.021 20.028 -17.328 1.00 0.00 O ATOM 1411 OE2 GLU B 29 -0.973 18.100 -16.908 1.00 0.00 O ATOM 0 H GLU B 29 -2.066 21.050 -13.262 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.018 18.536 -14.493 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.456 20.743 -14.483 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.424 19.850 -13.259 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.524 19.392 -15.329 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.640 17.934 -14.921 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.292 18.465 -11.326 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.214 17.628 -10.122 1.00 0.00 C ATOM 1420 C LYS B 30 -2.553 17.484 -9.398 1.00 0.00 C ATOM 1421 O LYS B 30 -2.851 16.379 -8.944 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.105 18.121 -9.176 1.00 0.00 C ATOM 1423 CG LYS B 30 1.298 17.896 -9.763 1.00 0.00 C ATOM 1424 CD LYS B 30 2.388 18.263 -8.744 1.00 0.00 C ATOM 1425 CE LYS B 30 3.777 17.955 -9.318 1.00 0.00 C ATOM 1426 NZ LYS B 30 4.863 18.276 -8.352 1.00 0.00 N ATOM 0 H LYS B 30 -1.411 19.454 -11.105 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.952 16.625 -10.460 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.247 19.183 -8.974 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.186 17.601 -8.221 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.409 16.853 -10.059 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.420 18.498 -10.664 1.00 0.00 H new ATOM 0 HD2 LYS B 30 2.318 19.321 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS B 30 2.236 17.704 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS B 30 3.832 16.900 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.926 18.527 -10.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 5.785 18.053 -8.779 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 4.827 19.288 -8.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 4.737 17.712 -7.488 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.407 18.516 -9.364 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.760 18.466 -8.775 1.00 0.00 C ATOM 1442 C LYS B 31 -5.619 17.328 -9.339 1.00 0.00 C ATOM 1443 O LYS B 31 -6.324 16.655 -8.596 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.458 19.841 -8.883 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.219 20.283 -7.622 1.00 0.00 C ATOM 1446 CD LYS B 31 -7.275 19.272 -7.160 1.00 0.00 C ATOM 1447 CE LYS B 31 -8.206 19.898 -6.115 1.00 0.00 C ATOM 1448 NZ LYS B 31 -9.145 18.896 -5.549 1.00 0.00 N ATOM 0 H LYS B 31 -3.175 19.430 -9.752 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.639 18.237 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.708 20.595 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.156 19.813 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -5.505 20.445 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.704 21.240 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.858 18.931 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.785 18.394 -6.738 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.612 20.335 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.772 20.711 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -9.759 19.354 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.729 18.498 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.605 18.133 -5.092 1.00 0.00 H new ATOM 1462 N SER B 32 -5.486 17.046 -10.631 1.00 0.00 N ATOM 1463 CA SER B 32 -6.202 15.959 -11.325 1.00 0.00 C ATOM 1464 C SER B 32 -5.442 14.618 -11.350 1.00 0.00 C ATOM 1465 O SER B 32 -5.873 13.657 -11.989 1.00 0.00 O ATOM 1466 CB SER B 32 -6.576 16.434 -12.739 1.00 0.00 C ATOM 1467 OG SER B 32 -7.713 15.741 -13.231 1.00 0.00 O ATOM 0 H SER B 32 -4.866 17.573 -11.246 1.00 0.00 H new ATOM 0 HA SER B 32 -7.105 15.743 -10.754 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.778 17.505 -12.724 1.00 0.00 H new ATOM 0 HB3 SER B 32 -5.733 16.279 -13.412 1.00 0.00 H new ATOM 0 HG SER B 32 -7.631 14.787 -13.021 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.330 14.519 -10.611 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.542 13.286 -10.428 1.00 0.00 C ATOM 1475 C VAL B 33 -3.608 12.821 -8.974 1.00 0.00 C ATOM 1476 O VAL B 33 -3.934 11.656 -8.740 1.00 0.00 O ATOM 1477 CB VAL B 33 -2.083 13.471 -10.897 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -1.229 12.220 -10.656 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -2.034 13.775 -12.399 1.00 0.00 C ATOM 0 H VAL B 33 -3.939 15.316 -10.108 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.981 12.508 -11.053 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.682 14.300 -10.314 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -0.212 12.402 -11.003 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.213 11.990 -9.591 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.654 11.378 -11.203 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.997 13.902 -12.711 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -2.481 12.949 -12.952 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.589 14.690 -12.603 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.419 13.706 -7.983 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.627 13.333 -6.588 1.00 0.00 C ATOM 1491 C LEU B 34 -5.120 13.070 -6.292 1.00 0.00 C ATOM 1492 O LEU B 34 -5.409 12.211 -5.464 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.866 14.290 -5.643 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.686 15.415 -5.020 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -2.939 16.089 -3.867 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.059 16.511 -6.001 1.00 0.00 C ATOM 0 H LEU B 34 -3.126 14.673 -8.126 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.172 12.365 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.427 13.700 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.040 14.735 -6.198 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.592 14.921 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.556 16.885 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.724 15.352 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.004 16.511 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.641 17.276 -5.487 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.152 16.958 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.652 16.087 -6.812 1.00 0.00 H new ATOM 1508 N GLN B 35 -6.074 13.679 -7.023 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.507 13.359 -6.883 1.00 0.00 C ATOM 1510 C GLN B 35 -7.800 11.866 -7.103 1.00 0.00 C ATOM 1511 O GLN B 35 -8.650 11.308 -6.411 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.339 14.250 -7.826 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.869 14.092 -7.716 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.465 12.853 -8.400 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -9.938 12.310 -9.362 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.597 12.371 -7.928 1.00 0.00 N ATOM 0 H GLN B 35 -5.876 14.398 -7.719 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.799 13.572 -5.855 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -8.085 15.292 -7.631 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -8.043 14.037 -8.853 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -10.137 14.065 -6.660 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -10.338 14.979 -8.141 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -12.046 12.815 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.025 11.554 -8.364 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.076 11.197 -8.012 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.248 9.760 -8.275 1.00 0.00 C ATOM 1527 C LYS B 36 -6.817 8.903 -7.087 1.00 0.00 C ATOM 1528 O LYS B 36 -7.499 7.934 -6.759 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.475 9.345 -9.542 1.00 0.00 C ATOM 1530 CG LYS B 36 -6.895 10.138 -10.791 1.00 0.00 C ATOM 1531 CD LYS B 36 -6.118 9.663 -12.028 1.00 0.00 C ATOM 1532 CE LYS B 36 -6.405 10.523 -13.268 1.00 0.00 C ATOM 1533 NZ LYS B 36 -7.810 10.395 -13.742 1.00 0.00 N ATOM 0 H LYS B 36 -6.355 11.636 -8.585 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.312 9.587 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.408 9.485 -9.372 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -6.632 8.282 -9.724 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -7.965 10.018 -10.960 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -6.715 11.201 -10.629 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -5.050 9.686 -11.813 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -6.378 8.626 -12.241 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -6.198 11.568 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -5.727 10.234 -14.071 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -7.950 10.995 -14.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -8.004 9.404 -13.990 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -8.460 10.697 -12.988 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.739 9.296 -6.400 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.341 8.703 -5.117 1.00 0.00 C ATOM 1549 C ILE B 37 -6.415 8.994 -4.062 1.00 0.00 C ATOM 1550 O ILE B 37 -6.884 8.040 -3.459 1.00 0.00 O ATOM 1551 CB ILE B 37 -3.951 9.210 -4.662 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -2.832 8.877 -5.663 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.638 8.674 -3.253 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.433 9.394 -5.299 1.00 0.00 C ATOM 0 H ILE B 37 -5.115 10.037 -6.719 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.255 7.624 -5.244 1.00 0.00 H new ATOM 0 HB ILE B 37 -3.991 10.299 -4.626 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.781 7.794 -5.774 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.107 9.285 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.659 9.033 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.397 9.025 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.637 7.584 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.724 9.102 -6.074 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.456 10.481 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.124 8.967 -4.345 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.878 10.239 -3.860 1.00 0.00 N ATOM 1567 CA LEU B 38 -7.981 10.507 -2.922 1.00 0.00 C ATOM 1568 C LEU B 38 -9.229 9.649 -3.199 1.00 0.00 C ATOM 1569 O LEU B 38 -9.842 9.155 -2.256 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.376 11.997 -2.897 1.00 0.00 C ATOM 1571 CG LEU B 38 -7.458 12.886 -2.038 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -6.308 13.497 -2.834 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -8.251 14.038 -1.418 1.00 0.00 C ATOM 0 H LEU B 38 -6.510 11.067 -4.328 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.592 10.229 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.377 12.377 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.397 12.083 -2.524 1.00 0.00 H new ATOM 0 HG LEU B 38 -7.047 12.230 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -5.696 14.113 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.696 12.701 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -6.709 14.114 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.585 14.655 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.690 14.645 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -9.044 13.636 -0.787 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.597 9.435 -4.464 1.00 0.00 N ATOM 1586 CA GLU B 39 -10.768 8.629 -4.821 1.00 0.00 C ATOM 1587 C GLU B 39 -10.570 7.132 -4.544 1.00 0.00 C ATOM 1588 O GLU B 39 -11.461 6.470 -4.009 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.112 8.903 -6.293 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.464 8.333 -6.734 1.00 0.00 C ATOM 1591 CD GLU B 39 -12.754 8.680 -8.210 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -12.859 9.885 -8.548 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -12.892 7.748 -9.041 1.00 0.00 O ATOM 0 H GLU B 39 -9.095 9.813 -5.267 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.604 8.922 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.111 9.980 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.329 8.481 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.467 7.251 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.256 8.733 -6.100 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.377 6.613 -4.825 1.00 0.00 N ATOM 1601 CA ASP B 40 -8.937 5.284 -4.437 1.00 0.00 C ATOM 1602 C ASP B 40 -8.868 5.117 -2.909 1.00 0.00 C ATOM 1603 O ASP B 40 -9.297 4.092 -2.381 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.548 5.097 -5.060 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.536 4.565 -6.503 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -8.603 4.305 -7.112 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.408 4.392 -7.021 1.00 0.00 O ATOM 0 H ASP B 40 -8.669 7.128 -5.348 1.00 0.00 H new ATOM 0 HA ASP B 40 -9.646 4.534 -4.787 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.028 6.055 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -6.977 4.411 -4.434 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.378 6.124 -2.178 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.244 6.044 -0.717 1.00 0.00 C ATOM 1614 C GLU B 41 -9.628 6.103 -0.049 1.00 0.00 C ATOM 1615 O GLU B 41 -9.894 5.353 0.889 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.315 7.130 -0.122 1.00 0.00 C ATOM 1617 CG GLU B 41 -5.804 7.181 -0.464 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.051 5.854 -0.388 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.552 4.862 0.191 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -3.909 5.754 -0.910 1.00 0.00 O ATOM 0 H GLU B 41 -8.066 7.010 -2.576 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.772 5.085 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.736 8.095 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.392 7.053 0.963 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.694 7.580 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.323 7.887 0.213 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.555 6.906 -0.575 1.00 0.00 N ATOM 1628 CA GLU B 42 -11.956 6.905 -0.139 1.00 0.00 C ATOM 1629 C GLU B 42 -12.635 5.544 -0.376 1.00 0.00 C ATOM 1630 O GLU B 42 -13.404 5.088 0.473 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.712 8.056 -0.822 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.123 8.243 -0.251 1.00 0.00 C ATOM 1633 CD GLU B 42 -14.791 9.506 -0.827 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.413 9.429 -1.915 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -14.715 10.586 -0.190 1.00 0.00 O ATOM 0 H GLU B 42 -10.357 7.577 -1.317 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.982 7.067 0.939 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.148 8.981 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.778 7.860 -1.892 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.731 7.368 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.072 8.318 0.835 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.307 4.847 -1.476 1.00 0.00 N ATOM 1643 CA LYS B 43 -12.785 3.478 -1.735 1.00 0.00 C ATOM 1644 C LYS B 43 -12.252 2.474 -0.709 1.00 0.00 C ATOM 1645 O LYS B 43 -13.012 1.631 -0.240 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.438 3.029 -3.170 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.574 2.249 -3.849 1.00 0.00 C ATOM 1648 CD LYS B 43 -14.719 3.164 -4.315 1.00 0.00 C ATOM 1649 CE LYS B 43 -15.784 2.345 -5.053 1.00 0.00 C ATOM 1650 NZ LYS B 43 -16.870 3.210 -5.586 1.00 0.00 N ATOM 0 H LYS B 43 -11.703 5.216 -2.211 1.00 0.00 H new ATOM 0 HA LYS B 43 -13.870 3.499 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.198 3.906 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.543 2.407 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.176 1.705 -4.706 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -13.966 1.506 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.166 3.666 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.329 3.942 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -15.319 1.798 -5.873 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.208 1.604 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -17.572 2.622 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -17.330 3.713 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -16.468 3.901 -6.252 1.00 0.00 H new ATOM 1664 N HIS B 44 -10.986 2.578 -0.287 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.428 1.774 0.779 1.00 0.00 C ATOM 1666 C HIS B 44 -11.148 2.032 2.095 1.00 0.00 C ATOM 1667 O HIS B 44 -11.571 1.084 2.744 1.00 0.00 O ATOM 1668 CB HIS B 44 -8.947 2.128 0.900 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.095 1.908 -0.320 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -6.775 2.368 -0.486 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.498 1.260 -1.447 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.452 2.000 -1.749 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.469 1.352 -2.337 1.00 0.00 N ATOM 0 H HIS B 44 -10.320 3.237 -0.690 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.551 0.715 0.550 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -8.871 3.178 1.183 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.524 1.546 1.719 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.447 0.769 -1.605 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.501 2.202 -2.220 1.00 0.00 H new ATOM 0 HE2 HIS B 44 -7.472 0.989 -3.290 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.341 3.303 2.460 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.079 3.725 3.657 1.00 0.00 C ATOM 1683 C ILE B 45 -13.519 3.190 3.650 1.00 0.00 C ATOM 1684 O ILE B 45 -13.968 2.706 4.687 1.00 0.00 O ATOM 1685 CB ILE B 45 -11.991 5.273 3.795 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.827 5.719 4.709 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.274 5.939 4.326 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.423 5.332 4.237 1.00 0.00 C ATOM 0 H ILE B 45 -10.980 4.088 1.918 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.620 3.290 4.545 1.00 0.00 H new ATOM 0 HB ILE B 45 -11.826 5.604 2.770 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -10.868 6.803 4.815 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.986 5.295 5.701 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.125 7.017 4.391 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.101 5.727 3.648 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.506 5.545 5.315 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.686 5.695 4.953 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.351 4.247 4.160 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.231 5.778 3.261 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.224 3.185 2.510 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.538 2.545 2.389 1.00 0.00 C ATOM 1702 C GLU B 46 -15.494 1.072 2.790 1.00 0.00 C ATOM 1703 O GLU B 46 -16.320 0.628 3.587 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.070 2.655 0.950 1.00 0.00 C ATOM 1705 CG GLU B 46 -16.816 3.949 0.635 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.177 4.025 1.357 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.172 3.455 0.846 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.267 4.666 2.433 1.00 0.00 O ATOM 0 H GLU B 46 -13.899 3.624 1.649 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.206 3.072 3.070 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.231 2.560 0.260 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -16.736 1.814 0.760 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.203 4.801 0.928 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -16.972 4.024 -0.441 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.527 0.313 2.276 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.408 -1.117 2.534 1.00 0.00 C ATOM 1717 C TRP B 47 -13.932 -1.406 3.959 1.00 0.00 C ATOM 1718 O TRP B 47 -14.427 -2.322 4.604 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.422 -1.729 1.533 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.609 -1.478 0.063 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -14.759 -1.167 -0.581 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.578 -1.510 -0.971 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.493 -0.958 -1.925 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.164 -1.176 -2.225 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.197 -1.790 -0.965 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.412 -1.115 -3.410 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.427 -1.744 -2.144 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.034 -1.399 -3.366 1.00 0.00 C ATOM 0 H TRP B 47 -13.798 0.679 1.663 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.397 -1.562 2.419 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.425 -1.378 1.800 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.431 -2.808 1.684 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -15.732 -1.093 -0.119 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.195 -0.677 -2.610 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -10.716 -2.047 -0.032 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -12.886 -0.853 -4.344 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.372 -1.973 -2.110 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -10.443 -1.352 -4.269 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.004 -0.602 4.471 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.476 -0.653 5.833 1.00 0.00 C ATOM 1741 C LEU B 48 -13.561 -0.407 6.885 1.00 0.00 C ATOM 1742 O LEU B 48 -13.691 -1.179 7.835 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.366 0.408 5.920 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.028 -0.058 5.321 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.123 1.143 5.059 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.312 -1.017 6.274 1.00 0.00 C ATOM 0 H LEU B 48 -12.577 0.142 3.919 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.085 -1.648 6.045 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.693 1.309 5.402 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.213 0.679 6.965 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.241 -0.574 4.385 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.179 0.801 4.635 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.611 1.821 4.359 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -8.932 1.666 5.996 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.368 -1.334 5.830 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.117 -0.512 7.220 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -9.940 -1.890 6.452 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.389 0.619 6.686 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.573 0.862 7.519 1.00 0.00 C ATOM 1760 C GLU B 49 -16.612 -0.247 7.325 1.00 0.00 C ATOM 1761 O GLU B 49 -17.230 -0.696 8.290 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.185 2.232 7.176 1.00 0.00 C ATOM 1763 CG GLU B 49 -16.761 2.981 8.386 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.005 2.313 9.006 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.058 2.232 8.327 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -17.948 1.923 10.198 1.00 0.00 O ATOM 0 H GLU B 49 -14.260 1.306 5.944 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.266 0.861 8.565 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -15.421 2.853 6.708 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -16.976 2.091 6.439 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -15.988 3.064 9.150 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.020 3.995 8.082 1.00 0.00 H new ATOM 1773 N THR B 50 -16.755 -0.753 6.095 1.00 0.00 N ATOM 1774 CA THR B 50 -17.642 -1.897 5.821 1.00 0.00 C ATOM 1775 C THR B 50 -17.216 -3.187 6.547 1.00 0.00 C ATOM 1776 O THR B 50 -18.066 -3.970 6.978 1.00 0.00 O ATOM 1777 CB THR B 50 -17.771 -2.101 4.307 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.451 -1.010 3.727 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.561 -3.333 3.921 1.00 0.00 C ATOM 0 H THR B 50 -16.271 -0.392 5.273 1.00 0.00 H new ATOM 0 HA THR B 50 -18.624 -1.657 6.229 1.00 0.00 H new ATOM 0 HB THR B 50 -16.747 -2.204 3.949 1.00 0.00 H new ATOM 0 HG1 THR B 50 -17.827 -0.264 3.603 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.609 -3.409 2.835 1.00 0.00 H new ATOM 0 HG22 THR B 50 -18.073 -4.220 4.326 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.571 -3.259 4.324 1.00 0.00 H new ATOM 1787 N ILE B 51 -15.910 -3.396 6.725 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.310 -4.552 7.421 1.00 0.00 C ATOM 1789 C ILE B 51 -15.341 -4.427 8.953 1.00 0.00 C ATOM 1790 O ILE B 51 -15.351 -5.432 9.668 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.895 -4.847 6.835 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -13.935 -5.999 5.805 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -12.826 -5.240 7.863 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -14.774 -5.704 4.564 1.00 0.00 C ATOM 0 H ILE B 51 -15.208 -2.743 6.377 1.00 0.00 H new ATOM 0 HA ILE B 51 -15.932 -5.426 7.228 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.617 -3.892 6.389 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -12.916 -6.228 5.494 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.328 -6.892 6.291 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -11.880 -5.423 7.353 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.699 -4.432 8.583 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -13.138 -6.145 8.385 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -14.748 -6.564 3.894 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -15.804 -5.506 4.860 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -14.370 -4.832 4.050 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.400 -3.199 9.456 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.511 -2.893 10.885 1.00 0.00 C ATOM 1808 C ASN B 52 -16.867 -3.357 11.471 1.00 0.00 C ATOM 1809 O ASN B 52 -17.909 -3.270 10.811 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.276 -1.384 11.072 1.00 0.00 C ATOM 1811 CG ASN B 52 -15.184 -0.964 12.530 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.715 -1.694 13.391 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -15.636 0.225 12.858 1.00 0.00 N ATOM 0 H ASN B 52 -15.372 -2.365 8.870 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.754 -3.446 11.441 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -14.356 -1.101 10.561 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -16.087 -0.835 10.594 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -15.595 0.536 13.828 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -16.028 0.837 12.142 1.00 0.00 H new ATOM 1820 N GLY B 53 -16.862 -3.837 12.722 1.00 0.00 N ATOM 1821 CA GLY B 53 -18.049 -4.330 13.445 1.00 0.00 C ATOM 1822 C GLY B 53 -17.697 -5.162 14.678 1.00 0.00 C ATOM 1823 O GLY B 53 -17.117 -4.597 15.631 1.00 0.00 O ATOM 1824 OXT GLY B 53 -18.004 -6.375 14.681 1.00 0.00 O ATOM 0 H GLY B 53 -16.009 -3.896 13.278 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -18.660 -3.481 13.750 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -18.655 -4.932 12.768 1.00 0.00 H new TER 1828 GLY B 53 HETATM 1829 ZN ZN A 54 -2.672 4.891 -1.448 1.00 0.00 ZN HETATM 1830 ZN ZN B 154 -5.430 3.232 0.887 1.00 0.00 ZN