USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=20 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 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0649) USER MOD Set 1.2: B 3 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 137:sc= 1.07 (180deg=0.182) USER MOD Set 2.2: B 1 MET CE :methyl 179:sc= 0 (180deg=-0.00154) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.002) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 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=-0.023) USER MOD Single : A 13 GLN : amide:sc= -0.0607 X(o=-0.061,f=-0.061) USER MOD Single : A 15 MET CE :methyl 150:sc= -1.23 (180deg=-1.34) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -72:sc= 0.981 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.0583 K(o=0.058,f=-1.6) USER MOD Single : B 1 MET N :NH3+ 146:sc= 0.00728 (180deg=0) USER MOD Single : B 8 TYR OH : rot 30:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 15 MET CE :methyl -155:sc= -0.742 (180deg=-2.83!) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.17) USER MOD Single : B 27 ASN : amide:sc= -0.0603 K(o=-0.06,f=-5.7!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -74:sc= 0.984 USER MOD Single : B 35 GLN : amide:sc= 0.94 K(o=0.94,f=-0.98) 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 80:sc= 0.191 USER MOD Single : B 52 ASN : amide:sc= 0.135 K(o=0.13,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.099 22.281 3.356 1.00 0.00 N ATOM 2 CA MET A 1 8.089 22.708 1.931 1.00 0.00 C ATOM 3 C MET A 1 7.762 21.534 1.004 1.00 0.00 C ATOM 4 O MET A 1 6.701 21.535 0.384 1.00 0.00 O ATOM 5 CB MET A 1 9.390 23.438 1.535 1.00 0.00 C ATOM 6 CG MET A 1 9.317 24.019 0.114 1.00 0.00 C ATOM 7 SD MET A 1 10.707 25.089 -0.361 1.00 0.00 S ATOM 8 CE MET A 1 12.060 23.881 -0.443 1.00 0.00 C ATOM 0 H1 MET A 1 8.323 23.096 3.961 1.00 0.00 H new ATOM 0 H2 MET A 1 7.163 21.906 3.613 1.00 0.00 H new ATOM 0 H3 MET A 1 8.817 21.541 3.492 1.00 0.00 H new ATOM 0 HA MET A 1 7.289 23.438 1.810 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.585 24.242 2.245 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.229 22.745 1.600 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.257 23.194 -0.595 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.393 24.589 0.019 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.980 24.384 -0.741 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.198 23.423 0.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.815 23.110 -1.173 1.00 0.00 H new ATOM 20 N ASP A 2 8.644 20.533 0.896 1.00 0.00 N ATOM 21 CA ASP A 2 8.414 19.293 0.132 1.00 0.00 C ATOM 22 C ASP A 2 7.163 18.510 0.592 1.00 0.00 C ATOM 23 O ASP A 2 6.799 18.537 1.771 1.00 0.00 O ATOM 24 CB ASP A 2 9.673 18.416 0.207 1.00 0.00 C ATOM 25 CG ASP A 2 10.031 17.998 1.642 1.00 0.00 C ATOM 26 OD1 ASP A 2 10.579 18.830 2.403 1.00 0.00 O ATOM 27 OD2 ASP A 2 9.809 16.821 2.005 1.00 0.00 O ATOM 0 H ASP A 2 9.559 20.560 1.346 1.00 0.00 H new ATOM 0 HA ASP A 2 8.215 19.576 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.523 17.522 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.513 18.958 -0.228 1.00 0.00 H new ATOM 32 N TYR A 3 6.502 17.820 -0.348 1.00 0.00 N ATOM 33 CA TYR A 3 5.174 17.213 -0.137 1.00 0.00 C ATOM 34 C TYR A 3 4.903 15.957 -0.999 1.00 0.00 C ATOM 35 O TYR A 3 3.757 15.679 -1.350 1.00 0.00 O ATOM 36 CB TYR A 3 4.089 18.299 -0.308 1.00 0.00 C ATOM 37 CG TYR A 3 3.894 18.852 -1.713 1.00 0.00 C ATOM 38 CD1 TYR A 3 4.743 19.861 -2.210 1.00 0.00 C ATOM 39 CD2 TYR A 3 2.827 18.387 -2.509 1.00 0.00 C ATOM 40 CE1 TYR A 3 4.540 20.391 -3.499 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.624 18.909 -3.799 1.00 0.00 C ATOM 42 CZ TYR A 3 3.478 19.914 -4.300 1.00 0.00 C ATOM 43 OH TYR A 3 3.265 20.420 -5.546 1.00 0.00 O ATOM 0 H TYR A 3 6.874 17.664 -1.285 1.00 0.00 H new ATOM 0 HA TYR A 3 5.146 16.832 0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.138 17.887 0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.331 19.130 0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.554 20.230 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.163 17.626 -2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.196 21.162 -3.875 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.812 18.539 -4.408 1.00 0.00 H new ATOM 0 HH TYR A 3 2.493 19.974 -5.953 1.00 0.00 H new ATOM 53 N LEU A 4 5.943 15.178 -1.335 1.00 0.00 N ATOM 54 CA LEU A 4 5.822 13.956 -2.151 1.00 0.00 C ATOM 55 C LEU A 4 6.410 12.699 -1.489 1.00 0.00 C ATOM 56 O LEU A 4 5.682 11.722 -1.309 1.00 0.00 O ATOM 57 CB LEU A 4 6.307 14.224 -3.593 1.00 0.00 C ATOM 58 CG LEU A 4 7.812 14.532 -3.739 1.00 0.00 C ATOM 59 CD1 LEU A 4 8.600 13.322 -4.246 1.00 0.00 C ATOM 60 CD2 LEU A 4 8.055 15.687 -4.709 1.00 0.00 C ATOM 0 H LEU A 4 6.900 15.379 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 4 4.764 13.705 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.071 13.354 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.741 15.062 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 4 8.157 14.800 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.654 13.585 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.489 12.496 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.219 13.022 -5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.125 15.877 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.659 15.427 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.554 16.582 -4.341 1.00 0.00 H new ATOM 72 N ARG A 5 7.670 12.731 -1.028 1.00 0.00 N ATOM 73 CA ARG A 5 8.281 11.625 -0.259 1.00 0.00 C ATOM 74 C ARG A 5 7.580 11.370 1.079 1.00 0.00 C ATOM 75 O ARG A 5 7.515 10.229 1.525 1.00 0.00 O ATOM 76 CB ARG A 5 9.808 11.821 -0.129 1.00 0.00 C ATOM 77 CG ARG A 5 10.291 13.104 0.572 1.00 0.00 C ATOM 78 CD ARG A 5 10.437 12.983 2.095 1.00 0.00 C ATOM 79 NE ARG A 5 10.764 14.301 2.667 1.00 0.00 N ATOM 80 CZ ARG A 5 11.746 14.649 3.475 1.00 0.00 C ATOM 81 NH1 ARG A 5 12.600 13.798 3.974 1.00 0.00 N ATOM 82 NH2 ARG A 5 11.871 15.906 3.778 1.00 0.00 N ATOM 0 H ARG A 5 8.297 13.522 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 5 8.128 10.707 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.214 10.966 0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.239 11.799 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.253 13.393 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.591 13.909 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.512 12.606 2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.220 12.265 2.339 1.00 0.00 H new ATOM 0 HE ARG A 5 10.136 15.058 2.397 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.527 12.807 3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.341 14.124 4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.220 16.591 3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.620 16.208 4.401 1.00 0.00 H new ATOM 96 N GLU A 6 6.995 12.414 1.673 1.00 0.00 N ATOM 97 CA GLU A 6 6.161 12.332 2.879 1.00 0.00 C ATOM 98 C GLU A 6 4.952 11.405 2.666 1.00 0.00 C ATOM 99 O GLU A 6 4.765 10.429 3.394 1.00 0.00 O ATOM 100 CB GLU A 6 5.724 13.761 3.265 1.00 0.00 C ATOM 101 CG GLU A 6 4.972 13.851 4.602 1.00 0.00 C ATOM 102 CD GLU A 6 5.910 13.633 5.807 1.00 0.00 C ATOM 103 OE1 GLU A 6 6.102 12.470 6.232 1.00 0.00 O ATOM 104 OE2 GLU A 6 6.458 14.628 6.341 1.00 0.00 O ATOM 0 H GLU A 6 7.090 13.366 1.320 1.00 0.00 H new ATOM 0 HA GLU A 6 6.737 11.896 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.607 14.398 3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.087 14.160 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.496 14.828 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.177 13.106 4.622 1.00 0.00 H new ATOM 111 N LEU A 7 4.167 11.684 1.621 1.00 0.00 N ATOM 112 CA LEU A 7 2.982 10.925 1.237 1.00 0.00 C ATOM 113 C LEU A 7 3.317 9.483 0.837 1.00 0.00 C ATOM 114 O LEU A 7 2.671 8.571 1.333 1.00 0.00 O ATOM 115 CB LEU A 7 2.241 11.672 0.114 1.00 0.00 C ATOM 116 CG LEU A 7 1.377 12.827 0.649 1.00 0.00 C ATOM 117 CD1 LEU A 7 2.168 13.996 1.239 1.00 0.00 C ATOM 118 CD2 LEU A 7 0.479 13.364 -0.463 1.00 0.00 C ATOM 0 H LEU A 7 4.349 12.473 1.000 1.00 0.00 H new ATOM 0 HA LEU A 7 2.327 10.847 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.967 12.065 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.608 10.970 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 7 0.797 12.396 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.477 14.762 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.772 13.642 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.819 14.418 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.130 14.181 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.096 13.728 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.171 12.566 -0.823 1.00 0.00 H new ATOM 130 N TYR A 8 4.355 9.268 0.022 1.00 0.00 N ATOM 131 CA TYR A 8 4.901 7.948 -0.366 1.00 0.00 C ATOM 132 C TYR A 8 5.245 7.083 0.852 1.00 0.00 C ATOM 133 O TYR A 8 4.944 5.889 0.871 1.00 0.00 O ATOM 134 CB TYR A 8 6.198 8.234 -1.161 1.00 0.00 C ATOM 135 CG TYR A 8 6.631 7.325 -2.302 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.439 5.929 -2.270 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.342 7.903 -3.376 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.944 5.122 -3.311 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.843 7.100 -4.418 1.00 0.00 C ATOM 140 CZ TYR A 8 7.641 5.706 -4.392 1.00 0.00 C ATOM 141 OH TYR A 8 8.137 4.937 -5.400 1.00 0.00 O ATOM 0 H TYR A 8 4.866 10.039 -0.408 1.00 0.00 H new ATOM 0 HA TYR A 8 4.159 7.400 -0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.107 9.240 -1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.016 8.256 -0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.905 5.477 -1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.503 8.971 -3.398 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.797 4.052 -3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.382 7.552 -5.237 1.00 0.00 H new ATOM 0 HH TYR A 8 8.585 5.509 -6.058 1.00 0.00 H new ATOM 151 N LYS A 9 5.850 7.674 1.888 1.00 0.00 N ATOM 152 CA LYS A 9 6.201 6.950 3.119 1.00 0.00 C ATOM 153 C LYS A 9 4.991 6.428 3.878 1.00 0.00 C ATOM 154 O LYS A 9 4.932 5.234 4.154 1.00 0.00 O ATOM 155 CB LYS A 9 7.103 7.816 4.027 1.00 0.00 C ATOM 156 CG LYS A 9 8.548 7.306 4.116 1.00 0.00 C ATOM 157 CD LYS A 9 8.651 5.993 4.907 1.00 0.00 C ATOM 158 CE LYS A 9 10.125 5.630 5.130 1.00 0.00 C ATOM 159 NZ LYS A 9 10.274 4.404 5.959 1.00 0.00 N ATOM 0 H LYS A 9 6.109 8.660 1.900 1.00 0.00 H new ATOM 0 HA LYS A 9 6.761 6.068 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.109 8.839 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.674 7.847 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.941 7.155 3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.171 8.064 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.144 6.096 5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.148 5.192 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.611 5.478 4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.634 6.462 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.284 4.192 6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.832 4.557 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.810 3.604 5.483 1.00 0.00 H new ATOM 173 N LEU A 10 4.010 7.274 4.175 1.00 0.00 N ATOM 174 CA LEU A 10 2.763 6.852 4.810 1.00 0.00 C ATOM 175 C LEU A 10 1.917 5.922 3.911 1.00 0.00 C ATOM 176 O LEU A 10 1.299 4.978 4.403 1.00 0.00 O ATOM 177 CB LEU A 10 2.023 8.061 5.411 1.00 0.00 C ATOM 178 CG LEU A 10 1.638 9.194 4.446 1.00 0.00 C ATOM 179 CD1 LEU A 10 0.307 8.949 3.747 1.00 0.00 C ATOM 180 CD2 LEU A 10 1.490 10.508 5.207 1.00 0.00 C ATOM 0 H LEU A 10 4.056 8.275 3.982 1.00 0.00 H new ATOM 0 HA LEU A 10 3.000 6.211 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.112 7.698 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.648 8.484 6.198 1.00 0.00 H new ATOM 0 HG LEU A 10 2.437 9.235 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.088 9.782 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.364 8.026 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.485 8.863 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.217 11.302 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.712 10.405 5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.435 10.757 5.690 1.00 0.00 H new ATOM 192 N GLU A 11 1.993 6.103 2.588 1.00 0.00 N ATOM 193 CA GLU A 11 1.509 5.169 1.561 1.00 0.00 C ATOM 194 C GLU A 11 2.165 3.783 1.696 1.00 0.00 C ATOM 195 O GLU A 11 1.467 2.773 1.575 1.00 0.00 O ATOM 196 CB GLU A 11 1.731 5.809 0.164 1.00 0.00 C ATOM 197 CG GLU A 11 0.524 6.614 -0.352 1.00 0.00 C ATOM 198 CD GLU A 11 -0.638 5.763 -0.884 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.521 5.215 -0.203 1.00 0.00 O ATOM 200 OE2 GLU A 11 -0.967 5.642 -2.078 1.00 0.00 O ATOM 0 H GLU A 11 2.412 6.941 2.184 1.00 0.00 H new ATOM 0 HA GLU A 11 0.442 4.994 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.600 6.465 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.963 5.021 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.154 7.245 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.862 7.279 -1.146 1.00 0.00 H new ATOM 207 N GLN A 12 3.462 3.697 2.034 1.00 0.00 N ATOM 208 CA GLN A 12 4.142 2.420 2.235 1.00 0.00 C ATOM 209 C GLN A 12 4.058 1.849 3.657 1.00 0.00 C ATOM 210 O GLN A 12 4.128 0.634 3.829 1.00 0.00 O ATOM 211 CB GLN A 12 5.588 2.546 1.760 1.00 0.00 C ATOM 212 CG GLN A 12 5.609 2.589 0.228 1.00 0.00 C ATOM 213 CD GLN A 12 7.025 2.656 -0.344 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.898 3.371 0.134 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.322 1.903 -1.384 1.00 0.00 N ATOM 0 H GLN A 12 4.061 4.511 2.174 1.00 0.00 H new ATOM 0 HA GLN A 12 3.606 1.685 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.041 3.450 2.168 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.177 1.703 2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.106 1.704 -0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.043 3.455 -0.114 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.610 1.301 -1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.264 1.923 -1.776 1.00 0.00 H new ATOM 224 N GLN A 13 3.831 2.674 4.673 1.00 0.00 N ATOM 225 CA GLN A 13 3.538 2.207 6.039 1.00 0.00 C ATOM 226 C GLN A 13 2.189 1.485 6.123 1.00 0.00 C ATOM 227 O GLN A 13 2.085 0.488 6.838 1.00 0.00 O ATOM 228 CB GLN A 13 3.584 3.378 7.036 1.00 0.00 C ATOM 229 CG GLN A 13 5.007 3.892 7.311 1.00 0.00 C ATOM 230 CD GLN A 13 5.860 2.882 8.078 1.00 0.00 C ATOM 231 OE1 GLN A 13 5.745 2.719 9.285 1.00 0.00 O ATOM 232 NE2 GLN A 13 6.743 2.163 7.416 1.00 0.00 N ATOM 0 H GLN A 13 3.843 3.690 4.581 1.00 0.00 H new ATOM 0 HA GLN A 13 4.311 1.487 6.306 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.978 4.198 6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.132 3.063 7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.493 4.128 6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.950 4.820 7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.850 2.288 6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.319 1.482 7.910 1.00 0.00 H new ATOM 241 N ALA A 14 1.185 1.906 5.345 1.00 0.00 N ATOM 242 CA ALA A 14 -0.060 1.156 5.204 1.00 0.00 C ATOM 243 C ALA A 14 0.188 -0.166 4.468 1.00 0.00 C ATOM 244 O ALA A 14 -0.313 -1.192 4.902 1.00 0.00 O ATOM 245 CB ALA A 14 -1.088 2.034 4.477 1.00 0.00 C ATOM 0 H ALA A 14 1.215 2.769 4.802 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.455 0.900 6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.022 1.484 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.267 2.940 5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.706 2.302 3.492 1.00 0.00 H new ATOM 251 N MET A 15 1.016 -0.184 3.419 1.00 0.00 N ATOM 252 CA MET A 15 1.408 -1.414 2.700 1.00 0.00 C ATOM 253 C MET A 15 2.171 -2.406 3.583 1.00 0.00 C ATOM 254 O MET A 15 1.873 -3.596 3.543 1.00 0.00 O ATOM 255 CB MET A 15 2.251 -1.024 1.475 1.00 0.00 C ATOM 256 CG MET A 15 2.716 -2.229 0.645 1.00 0.00 C ATOM 257 SD MET A 15 2.518 -2.015 -1.140 1.00 0.00 S ATOM 258 CE MET A 15 0.713 -2.124 -1.162 1.00 0.00 C ATOM 0 H MET A 15 1.441 0.661 3.036 1.00 0.00 H new ATOM 0 HA MET A 15 0.497 -1.925 2.389 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.668 -0.358 0.839 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.124 -0.463 1.808 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.766 -2.423 0.863 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.157 -3.111 0.959 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.322 -1.525 -1.985 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.413 -3.163 -1.295 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.314 -1.749 -0.219 1.00 0.00 H new ATOM 268 N LYS A 16 3.108 -1.954 4.420 1.00 0.00 N ATOM 269 CA LYS A 16 3.782 -2.807 5.414 1.00 0.00 C ATOM 270 C LYS A 16 2.784 -3.426 6.389 1.00 0.00 C ATOM 271 O LYS A 16 2.830 -4.630 6.641 1.00 0.00 O ATOM 272 CB LYS A 16 4.796 -1.960 6.196 1.00 0.00 C ATOM 273 CG LYS A 16 6.034 -1.526 5.387 1.00 0.00 C ATOM 274 CD LYS A 16 7.285 -2.386 5.631 1.00 0.00 C ATOM 275 CE LYS A 16 7.111 -3.845 5.192 1.00 0.00 C ATOM 276 NZ LYS A 16 8.363 -4.622 5.397 1.00 0.00 N ATOM 0 H LYS A 16 3.425 -0.984 4.431 1.00 0.00 H new ATOM 0 HA LYS A 16 4.285 -3.617 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.292 -1.068 6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.128 -2.527 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.788 -1.556 4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.267 -0.489 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.128 -1.950 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.535 -2.360 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.299 -4.303 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.827 -3.880 4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.215 -5.605 5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.131 -4.197 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.619 -4.608 6.405 1.00 0.00 H new ATOM 290 N LEU A 17 1.850 -2.611 6.880 1.00 0.00 N ATOM 291 CA LEU A 17 0.721 -3.057 7.689 1.00 0.00 C ATOM 292 C LEU A 17 -0.141 -4.094 6.952 1.00 0.00 C ATOM 293 O LEU A 17 -0.381 -5.172 7.487 1.00 0.00 O ATOM 294 CB LEU A 17 -0.069 -1.809 8.122 1.00 0.00 C ATOM 295 CG LEU A 17 0.299 -1.345 9.540 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.317 0.026 9.787 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.196 -2.304 10.625 1.00 0.00 C ATOM 0 H LEU A 17 1.859 -1.603 6.722 1.00 0.00 H new ATOM 0 HA LEU A 17 1.076 -3.579 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.121 -1.000 7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.136 -2.025 8.079 1.00 0.00 H new ATOM 0 HG LEU A 17 1.387 -1.313 9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.061 0.364 10.791 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.070 0.736 9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.401 -0.039 9.691 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.093 -1.925 11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.282 -2.384 10.572 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.248 -3.288 10.471 1.00 0.00 H new ATOM 309 N TYR A 18 -0.521 -3.825 5.700 1.00 0.00 N ATOM 310 CA TYR A 18 -1.234 -4.759 4.823 1.00 0.00 C ATOM 311 C TYR A 18 -0.503 -6.090 4.586 1.00 0.00 C ATOM 312 O TYR A 18 -1.141 -7.143 4.627 1.00 0.00 O ATOM 313 CB TYR A 18 -1.549 -4.061 3.491 1.00 0.00 C ATOM 314 CG TYR A 18 -2.909 -3.400 3.464 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.069 -4.193 3.484 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.018 -2.001 3.484 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.336 -3.597 3.619 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.278 -1.404 3.664 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.437 -2.200 3.761 1.00 0.00 C ATOM 320 OH TYR A 18 -6.650 -1.625 3.972 1.00 0.00 O ATOM 0 H TYR A 18 -0.336 -2.926 5.255 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.155 -5.033 5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.784 -3.310 3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.493 -4.792 2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.987 -5.266 3.395 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.139 -1.386 3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.227 -4.208 3.614 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.358 -0.329 3.728 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.543 -0.654 4.049 1.00 0.00 H new ATOM 330 N ARG A 19 0.822 -6.082 4.372 1.00 0.00 N ATOM 331 CA ARG A 19 1.619 -7.300 4.119 1.00 0.00 C ATOM 332 C ARG A 19 1.675 -8.245 5.326 1.00 0.00 C ATOM 333 O ARG A 19 1.802 -9.455 5.143 1.00 0.00 O ATOM 334 CB ARG A 19 3.028 -6.905 3.642 1.00 0.00 C ATOM 335 CG ARG A 19 3.004 -6.343 2.208 1.00 0.00 C ATOM 336 CD ARG A 19 4.313 -5.635 1.832 1.00 0.00 C ATOM 337 NE ARG A 19 5.402 -6.592 1.542 1.00 0.00 N ATOM 338 CZ ARG A 19 5.862 -6.945 0.351 1.00 0.00 C ATOM 339 NH1 ARG A 19 5.366 -6.475 -0.759 1.00 0.00 N ATOM 340 NH2 ARG A 19 6.846 -7.791 0.251 1.00 0.00 N ATOM 0 H ARG A 19 1.377 -5.226 4.369 1.00 0.00 H new ATOM 0 HA ARG A 19 1.118 -7.864 3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.446 -6.160 4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.683 -7.775 3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.820 -7.156 1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.175 -5.643 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.145 -5.003 0.960 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.616 -4.978 2.647 1.00 0.00 H new ATOM 0 HE ARG A 19 5.849 -7.029 2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.594 -5.809 -0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.750 -6.773 -1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.267 -8.186 1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.196 -8.059 -0.669 1.00 0.00 H new ATOM 354 N GLU A 20 1.520 -7.721 6.542 1.00 0.00 N ATOM 355 CA GLU A 20 1.463 -8.510 7.784 1.00 0.00 C ATOM 356 C GLU A 20 0.038 -8.870 8.193 1.00 0.00 C ATOM 357 O GLU A 20 -0.239 -10.007 8.575 1.00 0.00 O ATOM 358 CB GLU A 20 2.111 -7.694 8.913 1.00 0.00 C ATOM 359 CG GLU A 20 2.741 -8.549 10.019 1.00 0.00 C ATOM 360 CD GLU A 20 4.032 -9.249 9.549 1.00 0.00 C ATOM 361 OE1 GLU A 20 5.120 -8.626 9.601 1.00 0.00 O ATOM 362 OE2 GLU A 20 3.970 -10.433 9.136 1.00 0.00 O ATOM 0 H GLU A 20 1.428 -6.717 6.700 1.00 0.00 H new ATOM 0 HA GLU A 20 1.995 -9.444 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.878 -7.048 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.357 -7.044 9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.964 -7.919 10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.023 -9.299 10.350 1.00 0.00 H new ATOM 369 N ALA A 21 -0.884 -7.924 8.041 1.00 0.00 N ATOM 370 CA ALA A 21 -2.321 -8.170 8.167 1.00 0.00 C ATOM 371 C ALA A 21 -2.798 -9.289 7.222 1.00 0.00 C ATOM 372 O ALA A 21 -3.678 -10.056 7.597 1.00 0.00 O ATOM 373 CB ALA A 21 -3.083 -6.869 7.922 1.00 0.00 C ATOM 0 H ALA A 21 -0.654 -6.954 7.825 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.525 -8.516 9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.154 -7.051 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.776 -6.124 8.656 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.864 -6.502 6.919 1.00 0.00 H new ATOM 379 N SER A 22 -2.174 -9.449 6.048 1.00 0.00 N ATOM 380 CA SER A 22 -2.382 -10.579 5.131 1.00 0.00 C ATOM 381 C SER A 22 -2.157 -11.949 5.788 1.00 0.00 C ATOM 382 O SER A 22 -2.891 -12.894 5.495 1.00 0.00 O ATOM 383 CB SER A 22 -1.474 -10.417 3.906 1.00 0.00 C ATOM 384 OG SER A 22 -1.813 -11.353 2.897 1.00 0.00 O ATOM 0 H SER A 22 -1.491 -8.777 5.699 1.00 0.00 H new ATOM 0 HA SER A 22 -3.429 -10.558 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.564 -9.404 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.433 -10.554 4.199 1.00 0.00 H new ATOM 0 HG SER A 22 -1.222 -11.230 2.125 1.00 0.00 H new ATOM 390 N GLU A 23 -1.211 -12.073 6.735 1.00 0.00 N ATOM 391 CA GLU A 23 -1.017 -13.323 7.493 1.00 0.00 C ATOM 392 C GLU A 23 -2.248 -13.705 8.337 1.00 0.00 C ATOM 393 O GLU A 23 -2.616 -14.877 8.428 1.00 0.00 O ATOM 394 CB GLU A 23 0.213 -13.175 8.400 1.00 0.00 C ATOM 395 CG GLU A 23 0.861 -14.509 8.794 1.00 0.00 C ATOM 396 CD GLU A 23 1.518 -15.221 7.592 1.00 0.00 C ATOM 397 OE1 GLU A 23 2.674 -14.883 7.237 1.00 0.00 O ATOM 398 OE2 GLU A 23 0.890 -16.133 7.002 1.00 0.00 O ATOM 0 H GLU A 23 -0.569 -11.324 6.994 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.868 -14.127 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.955 -12.559 7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.078 -12.642 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.613 -14.332 9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.106 -15.162 9.231 1.00 0.00 H new ATOM 405 N LYS A 24 -2.904 -12.702 8.935 1.00 0.00 N ATOM 406 CA LYS A 24 -4.115 -12.859 9.769 1.00 0.00 C ATOM 407 C LYS A 24 -5.420 -12.899 8.956 1.00 0.00 C ATOM 408 O LYS A 24 -6.337 -13.639 9.304 1.00 0.00 O ATOM 409 CB LYS A 24 -4.165 -11.727 10.817 1.00 0.00 C ATOM 410 CG LYS A 24 -3.014 -11.777 11.844 1.00 0.00 C ATOM 411 CD LYS A 24 -3.169 -12.926 12.857 1.00 0.00 C ATOM 412 CE LYS A 24 -1.902 -13.178 13.686 1.00 0.00 C ATOM 413 NZ LYS A 24 -1.548 -12.032 14.564 1.00 0.00 N ATOM 0 H LYS A 24 -2.603 -11.731 8.853 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.041 -13.828 10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.138 -10.767 10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.116 -11.778 11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.067 -11.889 11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.970 -10.829 12.380 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.996 -12.699 13.530 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.433 -13.839 12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.046 -14.068 14.299 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.069 -13.385 13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.268 -12.386 15.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.758 -11.503 14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.371 -11.404 14.663 1.00 0.00 H new ATOM 427 N ALA A 25 -5.482 -12.165 7.847 1.00 0.00 N ATOM 428 CA ALA A 25 -6.620 -12.073 6.926 1.00 0.00 C ATOM 429 C ALA A 25 -6.734 -13.241 5.928 1.00 0.00 C ATOM 430 O ALA A 25 -7.556 -13.170 5.016 1.00 0.00 O ATOM 431 CB ALA A 25 -6.488 -10.761 6.146 1.00 0.00 C ATOM 0 H ALA A 25 -4.698 -11.585 7.548 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.524 -12.114 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.323 -10.665 5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.496 -9.922 6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.551 -10.761 5.589 1.00 0.00 H new ATOM 437 N ARG A 26 -5.913 -14.294 6.050 1.00 0.00 N ATOM 438 CA ARG A 26 -5.764 -15.399 5.081 1.00 0.00 C ATOM 439 C ARG A 26 -7.045 -16.162 4.693 1.00 0.00 C ATOM 440 O ARG A 26 -7.033 -16.906 3.714 1.00 0.00 O ATOM 441 CB ARG A 26 -4.673 -16.340 5.612 1.00 0.00 C ATOM 442 CG ARG A 26 -5.133 -17.183 6.815 1.00 0.00 C ATOM 443 CD ARG A 26 -3.932 -17.726 7.598 1.00 0.00 C ATOM 444 NE ARG A 26 -4.102 -19.149 7.961 1.00 0.00 N ATOM 445 CZ ARG A 26 -3.818 -19.723 9.117 1.00 0.00 C ATOM 446 NH1 ARG A 26 -3.342 -19.059 10.133 1.00 0.00 N ATOM 447 NH2 ARG A 26 -4.010 -21.002 9.275 1.00 0.00 N ATOM 0 H ARG A 26 -5.306 -14.407 6.862 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.483 -14.943 4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.355 -17.006 4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.803 -15.751 5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.755 -16.576 7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.750 -18.012 6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.028 -17.610 7.000 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.793 -17.135 8.504 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.482 -19.758 7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.175 -18.056 10.054 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.137 -19.543 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.380 -21.561 8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.791 -21.444 10.168 1.00 0.00 H new ATOM 461 N ASN A 27 -8.139 -15.989 5.434 1.00 0.00 N ATOM 462 CA ASN A 27 -9.464 -16.493 5.127 1.00 0.00 C ATOM 463 C ASN A 27 -10.032 -15.788 3.873 1.00 0.00 C ATOM 464 O ASN A 27 -9.940 -14.562 3.788 1.00 0.00 O ATOM 465 CB ASN A 27 -10.296 -16.182 6.378 1.00 0.00 C ATOM 466 CG ASN A 27 -9.904 -17.030 7.579 1.00 0.00 C ATOM 467 OD1 ASN A 27 -9.052 -16.664 8.375 1.00 0.00 O ATOM 468 ND2 ASN A 27 -10.496 -18.193 7.744 1.00 0.00 N ATOM 0 H ASN A 27 -8.117 -15.465 6.309 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.468 -17.559 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.181 -15.128 6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -11.351 -16.343 6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.244 -18.786 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.208 -18.502 7.082 1.00 0.00 H new ATOM 475 N PRO A 28 -10.658 -16.498 2.912 1.00 0.00 N ATOM 476 CA PRO A 28 -10.969 -15.951 1.583 1.00 0.00 C ATOM 477 C PRO A 28 -11.898 -14.726 1.607 1.00 0.00 C ATOM 478 O PRO A 28 -11.782 -13.842 0.757 1.00 0.00 O ATOM 479 CB PRO A 28 -11.545 -17.121 0.777 1.00 0.00 C ATOM 480 CG PRO A 28 -12.043 -18.100 1.840 1.00 0.00 C ATOM 481 CD PRO A 28 -11.076 -17.886 3.001 1.00 0.00 C ATOM 0 HA PRO A 28 -10.066 -15.553 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.355 -16.795 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.787 -17.577 0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.072 -17.888 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.018 -19.129 1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.560 -18.089 3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.221 -18.558 2.928 1.00 0.00 H new ATOM 489 N GLU A 29 -12.757 -14.631 2.626 1.00 0.00 N ATOM 490 CA GLU A 29 -13.681 -13.514 2.881 1.00 0.00 C ATOM 491 C GLU A 29 -12.998 -12.144 3.051 1.00 0.00 C ATOM 492 O GLU A 29 -13.573 -11.107 2.719 1.00 0.00 O ATOM 493 CB GLU A 29 -14.478 -13.848 4.153 1.00 0.00 C ATOM 494 CG GLU A 29 -15.927 -13.344 4.129 1.00 0.00 C ATOM 495 CD GLU A 29 -16.790 -14.120 3.113 1.00 0.00 C ATOM 496 OE1 GLU A 29 -17.247 -15.245 3.431 1.00 0.00 O ATOM 497 OE2 GLU A 29 -17.028 -13.608 1.992 1.00 0.00 O ATOM 0 H GLU A 29 -12.833 -15.364 3.331 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.317 -13.414 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.482 -14.929 4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.968 -13.416 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.362 -13.442 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.938 -12.283 3.879 1.00 0.00 H new ATOM 504 N LYS A 30 -11.758 -12.156 3.556 1.00 0.00 N ATOM 505 CA LYS A 30 -10.862 -10.996 3.690 1.00 0.00 C ATOM 506 C LYS A 30 -9.724 -11.029 2.673 1.00 0.00 C ATOM 507 O LYS A 30 -9.411 -9.993 2.088 1.00 0.00 O ATOM 508 CB LYS A 30 -10.268 -10.900 5.108 1.00 0.00 C ATOM 509 CG LYS A 30 -11.191 -10.415 6.235 1.00 0.00 C ATOM 510 CD LYS A 30 -12.311 -11.394 6.616 1.00 0.00 C ATOM 511 CE LYS A 30 -12.987 -11.010 7.941 1.00 0.00 C ATOM 512 NZ LYS A 30 -12.115 -11.269 9.120 1.00 0.00 N ATOM 0 H LYS A 30 -11.330 -13.016 3.899 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.477 -10.117 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.893 -11.886 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.408 -10.232 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.587 -10.214 7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.641 -9.469 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.057 -11.417 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.900 -12.400 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.255 -9.954 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.915 -11.572 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.660 -11.123 9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.769 -12.249 9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.306 -10.616 9.104 1.00 0.00 H new ATOM 526 N LYS A 31 -9.140 -12.201 2.414 1.00 0.00 N ATOM 527 CA LYS A 31 -7.999 -12.417 1.505 1.00 0.00 C ATOM 528 C LYS A 31 -8.233 -11.943 0.067 1.00 0.00 C ATOM 529 O LYS A 31 -7.284 -11.543 -0.601 1.00 0.00 O ATOM 530 CB LYS A 31 -7.548 -13.884 1.604 1.00 0.00 C ATOM 531 CG LYS A 31 -6.167 -14.170 0.991 1.00 0.00 C ATOM 532 CD LYS A 31 -6.290 -14.762 -0.418 1.00 0.00 C ATOM 533 CE LYS A 31 -4.896 -14.991 -1.015 1.00 0.00 C ATOM 534 NZ LYS A 31 -4.969 -15.616 -2.361 1.00 0.00 N ATOM 0 H LYS A 31 -9.459 -13.067 2.848 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.183 -11.775 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.533 -14.176 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.288 -14.513 1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.588 -13.248 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.620 -14.862 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.837 -15.704 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.861 -14.088 -1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.369 -14.039 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.315 -15.629 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.007 -15.755 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.449 -16.536 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.501 -14.995 -3.004 1.00 0.00 H new ATOM 548 N SER A 32 -9.487 -11.905 -0.380 1.00 0.00 N ATOM 549 CA SER A 32 -9.892 -11.367 -1.694 1.00 0.00 C ATOM 550 C SER A 32 -10.445 -9.933 -1.662 1.00 0.00 C ATOM 551 O SER A 32 -10.793 -9.375 -2.705 1.00 0.00 O ATOM 552 CB SER A 32 -10.879 -12.325 -2.373 1.00 0.00 C ATOM 553 OG SER A 32 -12.104 -12.402 -1.657 1.00 0.00 O ATOM 0 H SER A 32 -10.274 -12.253 0.168 1.00 0.00 H new ATOM 0 HA SER A 32 -8.977 -11.297 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.072 -11.989 -3.392 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.434 -13.318 -2.444 1.00 0.00 H new ATOM 0 HG SER A 32 -11.967 -12.906 -0.828 1.00 0.00 H new ATOM 559 N VAL A 33 -10.459 -9.304 -0.483 1.00 0.00 N ATOM 560 CA VAL A 33 -10.882 -7.908 -0.260 1.00 0.00 C ATOM 561 C VAL A 33 -9.668 -7.021 0.011 1.00 0.00 C ATOM 562 O VAL A 33 -9.523 -5.992 -0.656 1.00 0.00 O ATOM 563 CB VAL A 33 -11.916 -7.805 0.881 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.337 -6.353 1.152 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.184 -8.596 0.538 1.00 0.00 C ATOM 0 H VAL A 33 -10.166 -9.766 0.378 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.370 -7.554 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.430 -8.214 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.065 -6.331 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.462 -5.767 1.434 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.783 -5.929 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.899 -8.510 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.626 -8.196 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.929 -9.645 0.388 1.00 0.00 H new ATOM 575 N LEU A 34 -8.732 -7.425 0.887 1.00 0.00 N ATOM 576 CA LEU A 34 -7.486 -6.675 1.061 1.00 0.00 C ATOM 577 C LEU A 34 -6.607 -6.717 -0.210 1.00 0.00 C ATOM 578 O LEU A 34 -5.853 -5.781 -0.454 1.00 0.00 O ATOM 579 CB LEU A 34 -6.794 -7.059 2.387 1.00 0.00 C ATOM 580 CG LEU A 34 -5.709 -8.122 2.276 1.00 0.00 C ATOM 581 CD1 LEU A 34 -4.878 -8.236 3.553 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.253 -9.507 1.989 1.00 0.00 C ATOM 0 H LEU A 34 -8.816 -8.254 1.475 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.710 -5.614 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.355 -6.161 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.554 -7.412 3.084 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.096 -7.784 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.118 -9.007 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.395 -7.281 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.527 -8.502 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.427 -10.216 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.925 -9.808 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.798 -9.495 1.045 1.00 0.00 H new ATOM 594 N GLN A 35 -6.756 -7.742 -1.065 1.00 0.00 N ATOM 595 CA GLN A 35 -6.079 -7.847 -2.365 1.00 0.00 C ATOM 596 C GLN A 35 -6.412 -6.679 -3.315 1.00 0.00 C ATOM 597 O GLN A 35 -5.556 -6.242 -4.086 1.00 0.00 O ATOM 598 CB GLN A 35 -6.444 -9.203 -2.988 1.00 0.00 C ATOM 599 CG GLN A 35 -5.717 -9.495 -4.311 1.00 0.00 C ATOM 600 CD GLN A 35 -5.988 -10.910 -4.828 1.00 0.00 C ATOM 601 OE1 GLN A 35 -7.088 -11.443 -4.749 1.00 0.00 O ATOM 602 NE2 GLN A 35 -4.997 -11.582 -5.376 1.00 0.00 N ATOM 0 H GLN A 35 -7.364 -8.537 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.003 -7.784 -2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.212 -9.994 -2.275 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.520 -9.235 -3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.031 -8.771 -5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.644 -9.362 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.073 -11.157 -5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.153 -12.528 -5.725 1.00 0.00 H new ATOM 611 N LYS A 36 -7.637 -6.142 -3.252 1.00 0.00 N ATOM 612 CA LYS A 36 -8.089 -5.049 -4.127 1.00 0.00 C ATOM 613 C LYS A 36 -7.506 -3.694 -3.710 1.00 0.00 C ATOM 614 O LYS A 36 -7.011 -2.954 -4.560 1.00 0.00 O ATOM 615 CB LYS A 36 -9.628 -5.057 -4.142 1.00 0.00 C ATOM 616 CG LYS A 36 -10.218 -4.234 -5.294 1.00 0.00 C ATOM 617 CD LYS A 36 -11.750 -4.331 -5.280 1.00 0.00 C ATOM 618 CE LYS A 36 -12.356 -3.504 -6.419 1.00 0.00 C ATOM 619 NZ LYS A 36 -13.839 -3.610 -6.437 1.00 0.00 N ATOM 0 H LYS A 36 -8.347 -6.454 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.720 -5.210 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.980 -6.086 -4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.998 -4.664 -3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.911 -3.192 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.831 -4.597 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.054 -5.373 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.133 -3.977 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.066 -2.459 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.954 -3.846 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.218 -3.039 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.114 -4.604 -6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.223 -3.261 -5.536 1.00 0.00 H new ATOM 633 N ILE A 37 -7.463 -3.416 -2.403 1.00 0.00 N ATOM 634 CA ILE A 37 -6.679 -2.307 -1.833 1.00 0.00 C ATOM 635 C ILE A 37 -5.189 -2.497 -2.145 1.00 0.00 C ATOM 636 O ILE A 37 -4.562 -1.550 -2.602 1.00 0.00 O ATOM 637 CB ILE A 37 -6.914 -2.224 -0.308 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.267 -1.620 0.104 1.00 0.00 C ATOM 639 CG2 ILE A 37 -5.824 -1.400 0.400 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.944 -2.406 1.234 1.00 0.00 C ATOM 0 H ILE A 37 -7.973 -3.955 -1.704 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.006 -1.370 -2.284 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.891 -3.269 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.118 -0.588 0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.928 -1.594 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.029 -1.368 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.851 -1.862 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.818 -0.386 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.895 -1.936 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.121 -3.431 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.298 -2.410 2.112 1.00 0.00 H new ATOM 652 N LEU A 38 -4.613 -3.692 -1.961 1.00 0.00 N ATOM 653 CA LEU A 38 -3.205 -3.963 -2.290 1.00 0.00 C ATOM 654 C LEU A 38 -2.875 -3.612 -3.751 1.00 0.00 C ATOM 655 O LEU A 38 -1.848 -2.982 -4.005 1.00 0.00 O ATOM 656 CB LEU A 38 -2.859 -5.438 -1.999 1.00 0.00 C ATOM 657 CG LEU A 38 -2.534 -5.767 -0.530 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.428 -7.282 -0.344 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.199 -5.150 -0.114 1.00 0.00 C ATOM 0 H LEU A 38 -5.108 -4.498 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.593 -3.321 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.698 -6.059 -2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.004 -5.720 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.336 -5.358 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.198 -7.505 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.375 -7.749 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.635 -7.672 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.993 -5.397 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.403 -5.545 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.248 -4.067 -0.227 1.00 0.00 H new ATOM 671 N GLU A 39 -3.743 -3.959 -4.707 1.00 0.00 N ATOM 672 CA GLU A 39 -3.526 -3.627 -6.121 1.00 0.00 C ATOM 673 C GLU A 39 -3.686 -2.130 -6.423 1.00 0.00 C ATOM 674 O GLU A 39 -2.894 -1.560 -7.175 1.00 0.00 O ATOM 675 CB GLU A 39 -4.460 -4.488 -6.988 1.00 0.00 C ATOM 676 CG GLU A 39 -4.202 -4.331 -8.493 1.00 0.00 C ATOM 677 CD GLU A 39 -5.081 -5.301 -9.306 1.00 0.00 C ATOM 678 OE1 GLU A 39 -6.215 -4.926 -9.692 1.00 0.00 O ATOM 679 OE2 GLU A 39 -4.639 -6.445 -9.580 1.00 0.00 O ATOM 0 H GLU A 39 -4.606 -4.472 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.489 -3.855 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.338 -5.535 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.494 -4.220 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.409 -3.305 -8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.150 -4.520 -8.707 1.00 0.00 H new ATOM 686 N ASP A 40 -4.648 -1.465 -5.788 1.00 0.00 N ATOM 687 CA ASP A 40 -4.805 -0.021 -5.824 1.00 0.00 C ATOM 688 C ASP A 40 -3.599 0.710 -5.203 1.00 0.00 C ATOM 689 O ASP A 40 -3.127 1.700 -5.759 1.00 0.00 O ATOM 690 CB ASP A 40 -6.089 0.289 -5.048 1.00 0.00 C ATOM 691 CG ASP A 40 -7.390 0.221 -5.863 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.378 -0.036 -7.092 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.448 0.455 -5.235 1.00 0.00 O ATOM 0 H ASP A 40 -5.356 -1.931 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.863 0.329 -6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.166 -0.410 -4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.001 1.288 -4.620 1.00 0.00 H new ATOM 698 N GLU A 41 -3.054 0.214 -4.085 1.00 0.00 N ATOM 699 CA GLU A 41 -1.899 0.839 -3.426 1.00 0.00 C ATOM 700 C GLU A 41 -0.623 0.621 -4.259 1.00 0.00 C ATOM 701 O GLU A 41 0.191 1.535 -4.392 1.00 0.00 O ATOM 702 CB GLU A 41 -1.693 0.350 -1.969 1.00 0.00 C ATOM 703 CG GLU A 41 -2.741 0.666 -0.868 1.00 0.00 C ATOM 704 CD GLU A 41 -3.309 2.089 -0.856 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.714 3.046 -1.412 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.394 2.309 -0.257 1.00 0.00 O ATOM 0 H GLU A 41 -3.397 -0.624 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.112 1.906 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.586 -0.734 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.739 0.753 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.571 -0.032 -0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.285 0.472 0.103 1.00 0.00 H new ATOM 713 N GLU A 42 -0.472 -0.538 -4.908 1.00 0.00 N ATOM 714 CA GLU A 42 0.585 -0.773 -5.900 1.00 0.00 C ATOM 715 C GLU A 42 0.497 0.207 -7.085 1.00 0.00 C ATOM 716 O GLU A 42 1.520 0.747 -7.513 1.00 0.00 O ATOM 717 CB GLU A 42 0.543 -2.239 -6.365 1.00 0.00 C ATOM 718 CG GLU A 42 1.709 -2.596 -7.297 1.00 0.00 C ATOM 719 CD GLU A 42 1.697 -4.097 -7.644 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.033 -4.490 -8.636 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.363 -4.895 -6.941 1.00 0.00 O ATOM 0 H GLU A 42 -1.081 -1.343 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 42 1.548 -0.585 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.566 -2.893 -5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.399 -2.426 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.642 -2.007 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.654 -2.337 -6.819 1.00 0.00 H new ATOM 728 N LYS A 43 -0.715 0.505 -7.575 1.00 0.00 N ATOM 729 CA LYS A 43 -0.932 1.495 -8.644 1.00 0.00 C ATOM 730 C LYS A 43 -0.500 2.902 -8.220 1.00 0.00 C ATOM 731 O LYS A 43 0.149 3.595 -9.001 1.00 0.00 O ATOM 732 CB LYS A 43 -2.399 1.488 -9.118 1.00 0.00 C ATOM 733 CG LYS A 43 -2.541 1.626 -10.641 1.00 0.00 C ATOM 734 CD LYS A 43 -2.184 0.329 -11.387 1.00 0.00 C ATOM 735 CE LYS A 43 -2.423 0.502 -12.892 1.00 0.00 C ATOM 736 NZ LYS A 43 -2.139 -0.752 -13.640 1.00 0.00 N ATOM 0 H LYS A 43 -1.574 0.067 -7.242 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.301 1.203 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.874 0.561 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.935 2.304 -8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.565 1.910 -10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.896 2.432 -10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.141 0.071 -11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.788 -0.495 -11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.456 0.803 -13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.790 1.304 -13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.311 -0.598 -14.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.146 -1.025 -13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.761 -1.511 -13.295 1.00 0.00 H new ATOM 750 N HIS A 44 -0.770 3.318 -6.977 1.00 0.00 N ATOM 751 CA HIS A 44 -0.303 4.573 -6.428 1.00 0.00 C ATOM 752 C HIS A 44 1.221 4.628 -6.376 1.00 0.00 C ATOM 753 O HIS A 44 1.799 5.624 -6.793 1.00 0.00 O ATOM 754 CB HIS A 44 -0.903 4.711 -5.029 1.00 0.00 C ATOM 755 CG HIS A 44 -2.407 4.720 -4.933 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.152 4.639 -3.739 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.259 4.770 -5.995 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.442 4.603 -4.152 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.524 4.675 -5.490 1.00 0.00 N ATOM 0 H HIS A 44 -1.330 2.773 -6.321 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.619 5.400 -7.064 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.528 3.891 -4.416 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.529 5.635 -4.588 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.986 4.866 -7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.293 4.526 -3.491 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.385 4.661 -6.037 1.00 0.00 H new ATOM 767 N ILE A 45 1.872 3.550 -5.927 1.00 0.00 N ATOM 768 CA ILE A 45 3.336 3.419 -5.901 1.00 0.00 C ATOM 769 C ILE A 45 3.957 3.551 -7.308 1.00 0.00 C ATOM 770 O ILE A 45 4.977 4.227 -7.447 1.00 0.00 O ATOM 771 CB ILE A 45 3.729 2.119 -5.144 1.00 0.00 C ATOM 772 CG1 ILE A 45 4.015 2.396 -3.648 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.967 1.413 -5.725 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.811 2.843 -2.810 1.00 0.00 C ATOM 0 H ILE A 45 1.389 2.728 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 45 3.765 4.252 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 45 2.865 1.466 -5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.428 1.491 -3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.786 3.164 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.179 0.515 -5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.776 1.138 -6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.824 2.085 -5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.126 3.008 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.407 3.769 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.043 2.070 -2.835 1.00 0.00 H new ATOM 786 N GLU A 46 3.344 3.002 -8.364 1.00 0.00 N ATOM 787 CA GLU A 46 3.808 3.192 -9.746 1.00 0.00 C ATOM 788 C GLU A 46 3.798 4.668 -10.178 1.00 0.00 C ATOM 789 O GLU A 46 4.749 5.148 -10.798 1.00 0.00 O ATOM 790 CB GLU A 46 2.931 2.374 -10.708 1.00 0.00 C ATOM 791 CG GLU A 46 3.153 0.859 -10.658 1.00 0.00 C ATOM 792 CD GLU A 46 4.500 0.452 -11.284 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.581 0.325 -12.531 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.487 0.243 -10.537 1.00 0.00 O ATOM 0 H GLU A 46 2.514 2.414 -8.286 1.00 0.00 H new ATOM 0 HA GLU A 46 4.841 2.847 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.884 2.580 -10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.114 2.719 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.118 0.522 -9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.342 0.356 -11.185 1.00 0.00 H new ATOM 801 N TRP A 47 2.742 5.408 -9.829 1.00 0.00 N ATOM 802 CA TRP A 47 2.604 6.823 -10.157 1.00 0.00 C ATOM 803 C TRP A 47 3.524 7.697 -9.292 1.00 0.00 C ATOM 804 O TRP A 47 4.173 8.605 -9.800 1.00 0.00 O ATOM 805 CB TRP A 47 1.140 7.233 -9.954 1.00 0.00 C ATOM 806 CG TRP A 47 0.057 6.410 -10.596 1.00 0.00 C ATOM 807 CD1 TRP A 47 0.174 5.569 -11.651 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.343 6.322 -10.186 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.042 4.955 -11.896 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.015 5.380 -11.016 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.105 6.944 -9.179 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.369 5.055 -10.837 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.469 6.639 -8.990 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.095 5.681 -9.807 1.00 0.00 C ATOM 0 H TRP A 47 1.951 5.034 -9.305 1.00 0.00 H new ATOM 0 HA TRP A 47 2.898 6.974 -11.196 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.949 7.249 -8.881 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.032 8.257 -10.313 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.079 5.403 -12.216 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.199 4.272 -12.637 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.634 7.672 -8.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.848 4.333 -11.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.033 7.141 -8.218 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.132 5.426 -9.644 1.00 0.00 H new ATOM 825 N LEU A 48 3.640 7.386 -8.000 1.00 0.00 N ATOM 826 CA LEU A 48 4.576 7.996 -7.054 1.00 0.00 C ATOM 827 C LEU A 48 6.032 7.892 -7.527 1.00 0.00 C ATOM 828 O LEU A 48 6.789 8.854 -7.419 1.00 0.00 O ATOM 829 CB LEU A 48 4.378 7.307 -5.693 1.00 0.00 C ATOM 830 CG LEU A 48 3.184 7.853 -4.897 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.851 6.905 -3.744 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.477 9.233 -4.304 1.00 0.00 C ATOM 0 H LEU A 48 3.058 6.670 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 48 4.369 9.063 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.239 6.238 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.285 7.425 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 48 2.347 7.935 -5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.003 7.298 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.599 5.922 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.714 6.818 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.607 9.583 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.333 9.166 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.701 9.934 -5.108 1.00 0.00 H new ATOM 844 N GLU A 49 6.408 6.763 -8.126 1.00 0.00 N ATOM 845 CA GLU A 49 7.718 6.584 -8.766 1.00 0.00 C ATOM 846 C GLU A 49 7.901 7.491 -9.987 1.00 0.00 C ATOM 847 O GLU A 49 8.948 8.120 -10.142 1.00 0.00 O ATOM 848 CB GLU A 49 7.900 5.120 -9.194 1.00 0.00 C ATOM 849 CG GLU A 49 9.383 4.750 -9.314 1.00 0.00 C ATOM 850 CD GLU A 49 9.568 3.291 -9.772 1.00 0.00 C ATOM 851 OE1 GLU A 49 9.561 3.031 -11.000 1.00 0.00 O ATOM 852 OE2 GLU A 49 9.752 2.395 -8.910 1.00 0.00 O ATOM 0 H GLU A 49 5.810 5.938 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 49 8.472 6.860 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.418 4.465 -8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.404 4.955 -10.151 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.869 5.419 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.874 4.895 -8.352 1.00 0.00 H new ATOM 859 N THR A 50 6.872 7.602 -10.835 1.00 0.00 N ATOM 860 CA THR A 50 6.887 8.535 -11.982 1.00 0.00 C ATOM 861 C THR A 50 6.926 10.016 -11.560 1.00 0.00 C ATOM 862 O THR A 50 7.455 10.862 -12.287 1.00 0.00 O ATOM 863 CB THR A 50 5.758 8.209 -12.987 1.00 0.00 C ATOM 864 OG1 THR A 50 6.325 8.046 -14.271 1.00 0.00 O ATOM 865 CG2 THR A 50 4.633 9.238 -13.136 1.00 0.00 C ATOM 0 H THR A 50 6.013 7.058 -10.753 1.00 0.00 H new ATOM 0 HA THR A 50 7.828 8.378 -12.508 1.00 0.00 H new ATOM 0 HB THR A 50 5.295 7.314 -12.572 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.618 7.837 -14.917 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.911 8.883 -13.871 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.136 9.375 -12.176 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.051 10.189 -13.467 1.00 0.00 H new ATOM 873 N ILE A 51 6.419 10.331 -10.361 1.00 0.00 N ATOM 874 CA ILE A 51 6.443 11.666 -9.734 1.00 0.00 C ATOM 875 C ILE A 51 7.790 11.996 -9.069 1.00 0.00 C ATOM 876 O ILE A 51 8.188 13.162 -8.987 1.00 0.00 O ATOM 877 CB ILE A 51 5.236 11.800 -8.765 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.917 11.885 -9.573 1.00 0.00 C ATOM 879 CG2 ILE A 51 5.335 13.013 -7.818 1.00 0.00 C ATOM 880 CD1 ILE A 51 2.658 11.604 -8.742 1.00 0.00 C ATOM 0 H ILE A 51 5.960 9.635 -9.773 1.00 0.00 H new ATOM 0 HA ILE A 51 6.340 12.416 -10.518 1.00 0.00 H new ATOM 0 HB ILE A 51 5.248 10.908 -8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.835 12.879 -10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.962 11.174 -10.398 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.458 13.042 -7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.234 12.925 -7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.383 13.930 -8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.777 11.683 -9.379 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.715 10.599 -8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.587 12.330 -7.932 1.00 0.00 H new ATOM 892 N ASN A 52 8.508 10.971 -8.624 1.00 0.00 N ATOM 893 CA ASN A 52 9.825 11.081 -7.989 1.00 0.00 C ATOM 894 C ASN A 52 10.924 11.555 -8.976 1.00 0.00 C ATOM 895 O ASN A 52 10.802 11.397 -10.196 1.00 0.00 O ATOM 896 CB ASN A 52 10.167 9.727 -7.334 1.00 0.00 C ATOM 897 CG ASN A 52 11.378 9.782 -6.413 1.00 0.00 C ATOM 898 OD1 ASN A 52 11.694 10.799 -5.811 1.00 0.00 O ATOM 899 ND2 ASN A 52 12.103 8.696 -6.279 1.00 0.00 N ATOM 0 H ASN A 52 8.183 10.007 -8.696 1.00 0.00 H new ATOM 0 HA ASN A 52 9.787 11.853 -7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.304 9.380 -6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.350 8.991 -8.117 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.925 8.703 -5.675 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.844 7.845 -6.779 1.00 0.00 H new ATOM 906 N GLY A 53 12.018 12.114 -8.443 1.00 0.00 N ATOM 907 CA GLY A 53 13.167 12.634 -9.204 1.00 0.00 C ATOM 908 C GLY A 53 14.283 13.166 -8.305 1.00 0.00 C ATOM 909 O GLY A 53 14.120 14.276 -7.752 1.00 0.00 O ATOM 910 OXT GLY A 53 15.310 12.469 -8.158 1.00 0.00 O ATOM 0 H GLY A 53 12.134 12.222 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.565 11.842 -9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.828 13.432 -9.865 1.00 0.00 H new TER 914 GLY A 53 ATOM 915 N MET B 1 -6.087 -9.868 19.631 1.00 0.00 N ATOM 916 CA MET B 1 -5.297 -9.274 18.521 1.00 0.00 C ATOM 917 C MET B 1 -6.230 -8.860 17.381 1.00 0.00 C ATOM 918 O MET B 1 -7.117 -9.625 17.005 1.00 0.00 O ATOM 919 CB MET B 1 -4.190 -10.242 18.050 1.00 0.00 C ATOM 920 CG MET B 1 -3.222 -9.633 17.022 1.00 0.00 C ATOM 921 SD MET B 1 -3.750 -9.716 15.284 1.00 0.00 S ATOM 922 CE MET B 1 -2.478 -8.662 14.535 1.00 0.00 C ATOM 0 H1 MET B 1 -5.532 -10.619 20.089 1.00 0.00 H new ATOM 0 H2 MET B 1 -6.314 -9.131 20.329 1.00 0.00 H new ATOM 0 H3 MET B 1 -6.969 -10.270 19.253 1.00 0.00 H new ATOM 0 HA MET B 1 -4.793 -8.377 18.881 1.00 0.00 H new ATOM 0 HB2 MET B 1 -3.620 -10.575 18.917 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.656 -11.126 17.616 1.00 0.00 H new ATOM 0 HG2 MET B 1 -3.058 -8.587 17.282 1.00 0.00 H new ATOM 0 HG3 MET B 1 -2.261 -10.139 17.114 1.00 0.00 H new ATOM 0 HE1 MET B 1 -2.635 -8.612 13.458 1.00 0.00 H new ATOM 0 HE2 MET B 1 -2.541 -7.659 14.958 1.00 0.00 H new ATOM 0 HE3 MET B 1 -1.492 -9.080 14.739 1.00 0.00 H new ATOM 934 N ASP B 2 -6.042 -7.654 16.833 1.00 0.00 N ATOM 935 CA ASP B 2 -6.842 -7.090 15.731 1.00 0.00 C ATOM 936 C ASP B 2 -5.945 -6.442 14.658 1.00 0.00 C ATOM 937 O ASP B 2 -4.815 -6.033 14.939 1.00 0.00 O ATOM 938 CB ASP B 2 -7.807 -6.020 16.267 1.00 0.00 C ATOM 939 CG ASP B 2 -8.765 -6.512 17.360 1.00 0.00 C ATOM 940 OD1 ASP B 2 -9.622 -7.385 17.082 1.00 0.00 O ATOM 941 OD2 ASP B 2 -8.706 -5.960 18.484 1.00 0.00 O ATOM 0 H ASP B 2 -5.308 -7.022 17.151 1.00 0.00 H new ATOM 0 HA ASP B 2 -7.399 -7.913 15.282 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -7.223 -5.188 16.662 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -8.395 -5.631 15.436 1.00 0.00 H new ATOM 946 N TYR B 3 -6.464 -6.317 13.432 1.00 0.00 N ATOM 947 CA TYR B 3 -5.713 -5.859 12.250 1.00 0.00 C ATOM 948 C TYR B 3 -6.562 -5.043 11.255 1.00 0.00 C ATOM 949 O TYR B 3 -6.217 -4.962 10.079 1.00 0.00 O ATOM 950 CB TYR B 3 -5.047 -7.088 11.589 1.00 0.00 C ATOM 951 CG TYR B 3 -6.001 -8.182 11.119 1.00 0.00 C ATOM 952 CD1 TYR B 3 -6.548 -8.145 9.819 1.00 0.00 C ATOM 953 CD2 TYR B 3 -6.345 -9.241 11.985 1.00 0.00 C ATOM 954 CE1 TYR B 3 -7.456 -9.137 9.400 1.00 0.00 C ATOM 955 CE2 TYR B 3 -7.249 -10.240 11.566 1.00 0.00 C ATOM 956 CZ TYR B 3 -7.813 -10.186 10.272 1.00 0.00 C ATOM 957 OH TYR B 3 -8.705 -11.132 9.863 1.00 0.00 O ATOM 0 H TYR B 3 -7.439 -6.535 13.225 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.947 -5.157 12.579 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.464 -6.747 10.733 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -4.345 -7.524 12.299 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -6.269 -7.352 9.141 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -5.914 -9.287 12.974 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -7.880 -9.094 8.408 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.510 -11.047 12.235 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.842 -11.785 10.581 1.00 0.00 H new ATOM 967 N LEU B 4 -7.656 -4.410 11.707 1.00 0.00 N ATOM 968 CA LEU B 4 -8.535 -3.604 10.846 1.00 0.00 C ATOM 969 C LEU B 4 -8.507 -2.101 11.164 1.00 0.00 C ATOM 970 O LEU B 4 -8.269 -1.313 10.256 1.00 0.00 O ATOM 971 CB LEU B 4 -9.934 -4.246 10.752 1.00 0.00 C ATOM 972 CG LEU B 4 -10.783 -4.160 12.031 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.754 -2.977 11.985 1.00 0.00 C ATOM 974 CD2 LEU B 4 -11.608 -5.430 12.237 1.00 0.00 C ATOM 0 H LEU B 4 -7.956 -4.443 12.681 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.132 -3.623 9.834 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.481 -3.768 9.939 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.817 -5.296 10.483 1.00 0.00 H new ATOM 0 HG LEU B 4 -10.080 -4.031 12.854 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -12.337 -2.949 12.906 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -11.192 -2.049 11.883 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -12.425 -3.090 11.134 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -12.197 -5.337 13.150 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -12.276 -5.572 11.387 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.941 -6.288 12.321 1.00 0.00 H new ATOM 986 N ARG B 5 -8.633 -1.681 12.433 1.00 0.00 N ATOM 987 CA ARG B 5 -8.519 -0.259 12.840 1.00 0.00 C ATOM 988 C ARG B 5 -7.137 0.342 12.561 1.00 0.00 C ATOM 989 O ARG B 5 -7.025 1.512 12.199 1.00 0.00 O ATOM 990 CB ARG B 5 -8.949 -0.081 14.310 1.00 0.00 C ATOM 991 CG ARG B 5 -8.124 -0.887 15.331 1.00 0.00 C ATOM 992 CD ARG B 5 -8.629 -0.636 16.756 1.00 0.00 C ATOM 993 NE ARG B 5 -7.918 -1.490 17.731 1.00 0.00 N ATOM 994 CZ ARG B 5 -8.261 -2.704 18.125 1.00 0.00 C ATOM 995 NH1 ARG B 5 -9.369 -3.283 17.765 1.00 0.00 N ATOM 996 NH2 ARG B 5 -7.490 -3.414 18.890 1.00 0.00 N ATOM 0 H ARG B 5 -8.817 -2.314 13.212 1.00 0.00 H new ATOM 0 HA ARG B 5 -9.207 0.309 12.214 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -8.884 0.976 14.566 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -9.996 -0.368 14.404 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -8.188 -1.950 15.099 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -7.073 -0.608 15.258 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -8.487 0.413 17.016 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -9.699 -0.835 16.806 1.00 0.00 H new ATOM 0 HE ARG B 5 -7.071 -1.100 18.144 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -10.021 -2.798 17.149 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -9.585 -4.222 18.098 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -6.595 -3.038 19.202 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -7.779 -4.348 19.179 1.00 0.00 H new ATOM 1010 N GLU B 6 -6.091 -0.478 12.656 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.707 -0.104 12.337 1.00 0.00 C ATOM 1012 C GLU B 6 -4.567 0.303 10.855 1.00 0.00 C ATOM 1013 O GLU B 6 -4.085 1.390 10.528 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.804 -1.299 12.709 1.00 0.00 C ATOM 1015 CG GLU B 6 -2.331 -0.915 12.874 1.00 0.00 C ATOM 1016 CD GLU B 6 -2.086 -0.098 14.160 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -1.856 -0.705 15.234 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -2.121 1.155 14.106 1.00 0.00 O ATOM 0 H GLU B 6 -6.181 -1.446 12.964 1.00 0.00 H new ATOM 0 HA GLU B 6 -4.402 0.771 12.911 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -4.163 -1.742 13.638 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.889 -2.064 11.937 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.721 -1.818 12.897 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.009 -0.335 12.009 1.00 0.00 H new ATOM 1025 N LEU B 7 -5.105 -0.537 9.968 1.00 0.00 N ATOM 1026 CA LEU B 7 -5.256 -0.368 8.524 1.00 0.00 C ATOM 1027 C LEU B 7 -6.318 0.673 8.098 1.00 0.00 C ATOM 1028 O LEU B 7 -6.636 0.763 6.915 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.576 -1.769 7.962 1.00 0.00 C ATOM 1030 CG LEU B 7 -4.329 -2.649 7.782 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -3.554 -3.006 9.053 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -4.714 -3.951 7.084 1.00 0.00 C ATOM 0 H LEU B 7 -5.480 -1.435 10.272 1.00 0.00 H new ATOM 0 HA LEU B 7 -4.332 0.042 8.117 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.274 -2.271 8.632 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -6.079 -1.662 7.001 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.656 -2.029 7.190 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.698 -3.629 8.794 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -3.206 -2.093 9.535 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.206 -3.551 9.736 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.827 -4.572 6.958 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -5.448 -4.484 7.688 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.142 -3.727 6.107 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.855 1.472 9.023 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.944 2.439 8.790 1.00 0.00 C ATOM 1046 C TYR B 8 -7.517 3.840 9.225 1.00 0.00 C ATOM 1047 O TYR B 8 -7.686 4.807 8.487 1.00 0.00 O ATOM 1048 CB TYR B 8 -9.142 1.988 9.654 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.564 2.394 9.305 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.868 3.478 8.455 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.613 1.669 9.910 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -12.212 3.830 8.221 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.955 2.015 9.671 1.00 0.00 C ATOM 1054 CZ TYR B 8 -13.259 3.100 8.825 1.00 0.00 C ATOM 1055 OH TYR B 8 -14.556 3.441 8.608 1.00 0.00 O ATOM 0 H TYR B 8 -6.536 1.467 9.992 1.00 0.00 H new ATOM 0 HA TYR B 8 -8.200 2.471 7.731 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -9.121 0.899 9.683 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.952 2.338 10.669 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -10.072 4.037 7.985 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.383 0.840 10.563 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -12.443 4.664 7.575 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.750 1.451 10.135 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.645 3.841 7.718 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.913 3.949 10.411 1.00 0.00 N ATOM 1066 CA LYS B 9 -6.478 5.228 10.986 1.00 0.00 C ATOM 1067 C LYS B 9 -5.356 5.895 10.196 1.00 0.00 C ATOM 1068 O LYS B 9 -5.480 7.062 9.833 1.00 0.00 O ATOM 1069 CB LYS B 9 -6.100 4.992 12.464 1.00 0.00 C ATOM 1070 CG LYS B 9 -5.916 6.288 13.273 1.00 0.00 C ATOM 1071 CD LYS B 9 -7.225 7.055 13.547 1.00 0.00 C ATOM 1072 CE LYS B 9 -7.830 6.789 14.937 1.00 0.00 C ATOM 1073 NZ LYS B 9 -8.357 5.407 15.096 1.00 0.00 N ATOM 0 H LYS B 9 -6.710 3.146 11.006 1.00 0.00 H new ATOM 0 HA LYS B 9 -7.304 5.937 10.928 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -6.875 4.388 12.935 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -5.176 4.415 12.505 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -5.445 6.044 14.225 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -5.230 6.943 12.736 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -7.036 8.123 13.443 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -7.958 6.786 12.786 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -7.070 6.970 15.697 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -8.636 7.500 15.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -8.750 5.293 16.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -9.104 5.237 14.392 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -7.586 4.723 14.955 1.00 0.00 H new ATOM 1087 N LEU B 10 -4.310 5.147 9.852 1.00 0.00 N ATOM 1088 CA LEU B 10 -3.251 5.599 8.953 1.00 0.00 C ATOM 1089 C LEU B 10 -3.784 5.871 7.537 1.00 0.00 C ATOM 1090 O LEU B 10 -3.417 6.861 6.910 1.00 0.00 O ATOM 1091 CB LEU B 10 -2.105 4.572 8.945 1.00 0.00 C ATOM 1092 CG LEU B 10 -1.283 4.575 10.249 1.00 0.00 C ATOM 1093 CD1 LEU B 10 -0.404 3.330 10.303 1.00 0.00 C ATOM 1094 CD2 LEU B 10 -0.372 5.801 10.356 1.00 0.00 C ATOM 0 H LEU B 10 -4.172 4.196 10.195 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.863 6.548 9.322 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.518 3.576 8.785 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.443 4.781 8.105 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.994 4.595 11.075 1.00 0.00 H new ATOM 0 HD11 LEU B 10 0.176 3.334 11.226 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -1.032 2.440 10.273 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.273 3.325 9.449 1.00 0.00 H new ATOM 0 HD21 LEU B 10 0.187 5.759 11.291 1.00 0.00 H new ATOM 0 HD22 LEU B 10 0.324 5.811 9.517 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -0.978 6.707 10.336 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.719 5.041 7.073 1.00 0.00 N ATOM 1107 CA GLU B 11 -5.499 5.244 5.850 1.00 0.00 C ATOM 1108 C GLU B 11 -6.279 6.584 5.850 1.00 0.00 C ATOM 1109 O GLU B 11 -6.340 7.238 4.808 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.382 3.985 5.657 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.769 2.962 4.684 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.835 3.331 3.200 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -6.790 3.106 2.438 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -4.874 3.634 2.472 1.00 0.00 O ATOM 0 H GLU B 11 -4.963 4.177 7.556 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.842 5.349 4.986 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.541 3.508 6.624 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -7.361 4.288 5.287 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.724 2.812 4.955 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.275 2.007 4.824 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.786 7.069 6.996 1.00 0.00 N ATOM 1122 CA GLN B 12 -7.457 8.373 7.101 1.00 0.00 C ATOM 1123 C GLN B 12 -6.541 9.560 7.361 1.00 0.00 C ATOM 1124 O GLN B 12 -6.777 10.650 6.852 1.00 0.00 O ATOM 1125 CB GLN B 12 -8.525 8.288 8.188 1.00 0.00 C ATOM 1126 CG GLN B 12 -9.700 7.474 7.652 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.828 7.319 8.673 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -10.622 7.005 9.838 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -12.067 7.547 8.286 1.00 0.00 N ATOM 0 H GLN B 12 -6.741 6.563 7.880 1.00 0.00 H new ATOM 0 HA GLN B 12 -7.890 8.569 6.120 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -8.117 7.819 9.084 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -8.855 9.287 8.473 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -10.091 7.956 6.756 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -9.347 6.487 7.355 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -12.259 7.810 7.319 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.834 7.461 8.953 1.00 0.00 H new ATOM 1138 N GLN B 13 -5.458 9.363 8.090 1.00 0.00 N ATOM 1139 CA GLN B 13 -4.381 10.320 8.250 1.00 0.00 C ATOM 1140 C GLN B 13 -3.702 10.637 6.909 1.00 0.00 C ATOM 1141 O GLN B 13 -3.399 11.800 6.652 1.00 0.00 O ATOM 1142 CB GLN B 13 -3.423 9.721 9.289 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.330 10.710 9.675 1.00 0.00 C ATOM 1144 CD GLN B 13 -1.357 10.170 10.726 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -1.663 9.306 11.537 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -0.134 10.660 10.755 1.00 0.00 N ATOM 0 H GLN B 13 -5.299 8.498 8.607 1.00 0.00 H new ATOM 0 HA GLN B 13 -4.750 11.284 8.600 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -3.983 9.431 10.178 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -2.970 8.814 8.888 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -1.770 10.986 8.782 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -2.793 11.620 10.055 1.00 0.00 H new ATOM 0 HE21 GLN B 13 0.143 11.381 10.088 1.00 0.00 H new ATOM 0 HE22 GLN B 13 0.536 10.318 11.444 1.00 0.00 H new ATOM 1155 N ALA B 14 -3.556 9.652 6.015 1.00 0.00 N ATOM 1156 CA ALA B 14 -3.121 9.873 4.640 1.00 0.00 C ATOM 1157 C ALA B 14 -4.154 10.712 3.888 1.00 0.00 C ATOM 1158 O ALA B 14 -3.796 11.700 3.262 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.937 8.508 3.955 1.00 0.00 C ATOM 0 H ALA B 14 -3.739 8.672 6.232 1.00 0.00 H new ATOM 0 HA ALA B 14 -2.175 10.415 4.634 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.612 8.658 2.926 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -2.185 7.930 4.492 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.883 7.967 3.961 1.00 0.00 H new ATOM 1165 N MET B 15 -5.437 10.363 4.004 1.00 0.00 N ATOM 1166 CA MET B 15 -6.551 11.090 3.367 1.00 0.00 C ATOM 1167 C MET B 15 -6.633 12.556 3.840 1.00 0.00 C ATOM 1168 O MET B 15 -6.826 13.456 3.020 1.00 0.00 O ATOM 1169 CB MET B 15 -7.852 10.315 3.663 1.00 0.00 C ATOM 1170 CG MET B 15 -9.174 10.927 3.183 1.00 0.00 C ATOM 1171 SD MET B 15 -9.710 10.481 1.515 1.00 0.00 S ATOM 1172 CE MET B 15 -8.531 11.432 0.533 1.00 0.00 C ATOM 0 H MET B 15 -5.742 9.557 4.550 1.00 0.00 H new ATOM 0 HA MET B 15 -6.388 11.142 2.291 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.760 9.324 3.218 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.920 10.175 4.742 1.00 0.00 H new ATOM 0 HG2 MET B 15 -9.958 10.637 3.882 1.00 0.00 H new ATOM 0 HG3 MET B 15 -9.086 12.012 3.235 1.00 0.00 H new ATOM 0 HE1 MET B 15 -8.958 11.638 -0.448 1.00 0.00 H new ATOM 0 HE2 MET B 15 -8.312 12.372 1.038 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.611 10.860 0.415 1.00 0.00 H new ATOM 1182 N LYS B 16 -6.417 12.823 5.137 1.00 0.00 N ATOM 1183 CA LYS B 16 -6.335 14.180 5.702 1.00 0.00 C ATOM 1184 C LYS B 16 -5.137 14.943 5.145 1.00 0.00 C ATOM 1185 O LYS B 16 -5.287 16.090 4.724 1.00 0.00 O ATOM 1186 CB LYS B 16 -6.251 14.101 7.239 1.00 0.00 C ATOM 1187 CG LYS B 16 -7.524 13.552 7.916 1.00 0.00 C ATOM 1188 CD LYS B 16 -8.340 14.613 8.668 1.00 0.00 C ATOM 1189 CE LYS B 16 -8.905 15.694 7.737 1.00 0.00 C ATOM 1190 NZ LYS B 16 -9.720 16.680 8.496 1.00 0.00 N ATOM 0 H LYS B 16 -6.292 12.090 5.835 1.00 0.00 H new ATOM 0 HA LYS B 16 -7.236 14.723 5.417 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -5.406 13.469 7.513 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -6.045 15.097 7.632 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -8.157 13.092 7.157 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -7.241 12.764 8.614 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -9.161 14.128 9.195 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -7.710 15.083 9.423 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -8.087 16.206 7.231 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -9.517 15.229 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -10.090 17.400 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -10.513 16.192 8.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -9.127 17.139 9.217 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.970 14.296 5.076 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.783 14.881 4.449 1.00 0.00 C ATOM 1206 C LEU B 17 -2.977 15.149 2.948 1.00 0.00 C ATOM 1207 O LEU B 17 -2.567 16.197 2.464 1.00 0.00 O ATOM 1208 CB LEU B 17 -1.539 14.014 4.751 1.00 0.00 C ATOM 1209 CG LEU B 17 -0.528 14.803 5.600 1.00 0.00 C ATOM 1210 CD1 LEU B 17 0.633 13.920 6.043 1.00 0.00 C ATOM 1211 CD2 LEU B 17 0.075 16.006 4.865 1.00 0.00 C ATOM 0 H LEU B 17 -3.822 13.359 5.450 1.00 0.00 H new ATOM 0 HA LEU B 17 -2.618 15.864 4.890 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.838 13.109 5.279 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -1.072 13.699 3.818 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.103 15.158 6.455 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.330 14.508 6.641 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.253 13.091 6.640 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.148 13.529 5.166 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.779 16.518 5.521 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.596 15.663 3.971 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.721 16.694 4.580 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.678 14.265 2.233 1.00 0.00 N ATOM 1224 CA TYR B 18 -4.068 14.417 0.830 1.00 0.00 C ATOM 1225 C TYR B 18 -4.969 15.637 0.582 1.00 0.00 C ATOM 1226 O TYR B 18 -4.790 16.320 -0.431 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.705 13.104 0.324 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.711 12.209 -0.396 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -3.119 12.645 -1.599 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.322 10.979 0.168 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -2.082 11.896 -2.188 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.270 10.237 -0.404 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.627 10.713 -1.569 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.572 10.038 -2.101 1.00 0.00 O ATOM 0 H TYR B 18 -4.003 13.386 2.634 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.165 14.614 0.252 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -5.130 12.562 1.169 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.529 13.341 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.461 13.555 -2.070 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.832 10.603 1.043 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.635 12.227 -3.114 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.956 9.307 0.046 1.00 0.00 H new ATOM 0 HH TYR B 18 -0.382 9.246 -1.556 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.884 15.975 1.506 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.721 17.187 1.396 1.00 0.00 C ATOM 1246 C ARG B 19 -5.896 18.482 1.442 1.00 0.00 C ATOM 1247 O ARG B 19 -6.137 19.397 0.657 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.811 17.168 2.483 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.932 18.171 2.167 1.00 0.00 C ATOM 1250 CD ARG B 19 -10.017 18.171 3.249 1.00 0.00 C ATOM 1251 NE ARG B 19 -11.151 19.036 2.856 1.00 0.00 N ATOM 1252 CZ ARG B 19 -11.912 19.782 3.638 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -11.728 19.863 4.926 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -12.893 20.473 3.132 1.00 0.00 N ATOM 0 H ARG B 19 -6.065 15.423 2.344 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.199 17.175 0.417 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -8.230 16.165 2.564 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.368 17.407 3.450 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -8.509 19.172 2.076 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -9.379 17.925 1.204 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -10.371 17.154 3.416 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -9.597 18.521 4.192 1.00 0.00 H new ATOM 0 HE ARG B 19 -11.373 19.060 1.861 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -10.973 19.338 5.367 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -12.339 20.451 5.492 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -13.076 20.440 2.129 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -13.478 21.048 3.739 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.897 18.555 2.320 1.00 0.00 N ATOM 1269 CA GLU B 20 -4.000 19.715 2.456 1.00 0.00 C ATOM 1270 C GLU B 20 -2.929 19.751 1.357 1.00 0.00 C ATOM 1271 O GLU B 20 -2.633 20.802 0.793 1.00 0.00 O ATOM 1272 CB GLU B 20 -3.340 19.650 3.843 1.00 0.00 C ATOM 1273 CG GLU B 20 -3.281 20.999 4.574 1.00 0.00 C ATOM 1274 CD GLU B 20 -2.387 22.043 3.878 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -1.190 21.754 3.642 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -2.865 23.173 3.616 1.00 0.00 O ATOM 0 H GLU B 20 -4.680 17.800 2.971 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.586 20.628 2.350 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.887 18.938 4.461 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -2.327 19.264 3.733 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -4.291 21.399 4.661 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -2.914 20.837 5.587 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.403 18.584 0.983 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.520 18.427 -0.169 1.00 0.00 C ATOM 1285 C ALA B 21 -2.186 18.887 -1.476 1.00 0.00 C ATOM 1286 O ALA B 21 -1.504 19.466 -2.316 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.040 16.977 -0.262 1.00 0.00 C ATOM 0 H ALA B 21 -2.582 17.711 1.479 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.654 19.073 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.382 16.866 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.497 16.715 0.646 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -1.899 16.316 -0.375 1.00 0.00 H new ATOM 1293 N SER B 22 -3.506 18.721 -1.635 1.00 0.00 N ATOM 1294 CA SER B 22 -4.268 19.312 -2.751 1.00 0.00 C ATOM 1295 C SER B 22 -4.224 20.851 -2.766 1.00 0.00 C ATOM 1296 O SER B 22 -4.185 21.459 -3.836 1.00 0.00 O ATOM 1297 CB SER B 22 -5.716 18.814 -2.715 1.00 0.00 C ATOM 1298 OG SER B 22 -6.389 19.140 -3.920 1.00 0.00 O ATOM 0 H SER B 22 -4.079 18.173 -0.994 1.00 0.00 H new ATOM 0 HA SER B 22 -3.789 18.984 -3.674 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.731 17.734 -2.565 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.238 19.260 -1.869 1.00 0.00 H new ATOM 0 HG SER B 22 -7.312 18.812 -3.878 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.161 21.503 -1.597 1.00 0.00 N ATOM 1305 CA GLU B 23 -3.986 22.961 -1.493 1.00 0.00 C ATOM 1306 C GLU B 23 -2.574 23.408 -1.911 1.00 0.00 C ATOM 1307 O GLU B 23 -2.416 24.409 -2.613 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.266 23.418 -0.052 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.668 24.894 0.064 1.00 0.00 C ATOM 1310 CD GLU B 23 -6.073 25.164 -0.510 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -7.076 25.001 0.228 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -6.187 25.552 -1.698 1.00 0.00 O ATOM 0 H GLU B 23 -4.230 21.034 -0.694 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.696 23.425 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -5.061 22.801 0.367 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.376 23.245 0.553 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -4.642 25.194 1.112 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -3.938 25.510 -0.462 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.543 22.646 -1.521 1.00 0.00 N ATOM 1320 CA LYS B 24 -0.156 22.848 -1.992 1.00 0.00 C ATOM 1321 C LYS B 24 -0.020 22.604 -3.503 1.00 0.00 C ATOM 1322 O LYS B 24 0.534 23.435 -4.222 1.00 0.00 O ATOM 1323 CB LYS B 24 0.825 21.951 -1.216 1.00 0.00 C ATOM 1324 CG LYS B 24 0.945 22.318 0.273 1.00 0.00 C ATOM 1325 CD LYS B 24 2.112 21.547 0.906 1.00 0.00 C ATOM 1326 CE LYS B 24 2.402 21.959 2.355 1.00 0.00 C ATOM 1327 NZ LYS B 24 1.482 21.318 3.329 1.00 0.00 N ATOM 0 H LYS B 24 -1.642 21.869 -0.868 1.00 0.00 H new ATOM 0 HA LYS B 24 0.096 23.891 -1.801 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.502 20.914 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS B 24 1.810 22.017 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS B 24 1.105 23.391 0.381 1.00 0.00 H new ATOM 0 HG3 LYS B 24 0.016 22.080 0.792 1.00 0.00 H new ATOM 0 HD2 LYS B 24 1.891 20.480 0.877 1.00 0.00 H new ATOM 0 HD3 LYS B 24 3.008 21.703 0.306 1.00 0.00 H new ATOM 0 HE2 LYS B 24 3.430 21.695 2.605 1.00 0.00 H new ATOM 0 HE3 LYS B 24 2.321 23.042 2.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 1.711 21.644 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 0.501 21.576 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 1.589 20.285 3.279 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.592 21.505 -3.993 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.621 21.057 -5.388 1.00 0.00 C ATOM 1343 C ALA B 25 -1.615 21.837 -6.280 1.00 0.00 C ATOM 1344 O ALA B 25 -2.208 21.263 -7.193 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.946 19.556 -5.388 1.00 0.00 C ATOM 0 H ALA B 25 -1.085 20.855 -3.381 1.00 0.00 H new ATOM 0 HA ALA B 25 0.357 21.253 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -0.975 19.190 -6.414 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.178 19.017 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.916 19.394 -4.917 1.00 0.00 H new ATOM 1351 N ARG B 26 -1.837 23.134 -6.022 1.00 0.00 N ATOM 1352 CA ARG B 26 -2.829 23.984 -6.711 1.00 0.00 C ATOM 1353 C ARG B 26 -2.703 24.046 -8.247 1.00 0.00 C ATOM 1354 O ARG B 26 -3.684 24.338 -8.929 1.00 0.00 O ATOM 1355 CB ARG B 26 -2.793 25.370 -6.051 1.00 0.00 C ATOM 1356 CG ARG B 26 -1.503 26.152 -6.365 1.00 0.00 C ATOM 1357 CD ARG B 26 -1.022 26.950 -5.152 1.00 0.00 C ATOM 1358 NE ARG B 26 0.086 27.856 -5.519 1.00 0.00 N ATOM 1359 CZ ARG B 26 0.901 28.492 -4.695 1.00 0.00 C ATOM 1360 NH1 ARG B 26 0.798 28.391 -3.399 1.00 0.00 N ATOM 1361 NH2 ARG B 26 1.847 29.253 -5.165 1.00 0.00 N ATOM 0 H ARG B 26 -1.316 23.640 -5.306 1.00 0.00 H new ATOM 0 HA ARG B 26 -3.808 23.521 -6.586 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -3.653 25.949 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -2.888 25.255 -4.971 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -0.723 25.458 -6.678 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -1.681 26.829 -7.200 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -1.849 27.529 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -0.693 26.266 -4.370 1.00 0.00 H new ATOM 0 HE ARG B 26 0.239 28.007 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG B 26 0.070 27.806 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG B 26 1.446 28.897 -2.795 1.00 0.00 H new ATOM 0 HH21 ARG B 26 1.962 29.360 -6.173 1.00 0.00 H new ATOM 0 HH22 ARG B 26 2.473 29.742 -4.525 1.00 0.00 H new ATOM 1375 N ASN B 27 -1.521 23.739 -8.789 1.00 0.00 N ATOM 1376 CA ASN B 27 -1.269 23.509 -10.217 1.00 0.00 C ATOM 1377 C ASN B 27 -2.086 22.300 -10.739 1.00 0.00 C ATOM 1378 O ASN B 27 -1.848 21.181 -10.274 1.00 0.00 O ATOM 1379 CB ASN B 27 0.250 23.283 -10.376 1.00 0.00 C ATOM 1380 CG ASN B 27 0.695 22.893 -11.778 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.053 22.917 -12.742 1.00 0.00 O ATOM 1382 ND2 ASN B 27 1.933 22.486 -11.935 1.00 0.00 N ATOM 0 H ASN B 27 -0.678 23.640 -8.223 1.00 0.00 H new ATOM 0 HA ASN B 27 -1.586 24.366 -10.810 1.00 0.00 H new ATOM 0 HB2 ASN B 27 0.771 24.195 -10.086 1.00 0.00 H new ATOM 0 HB3 ASN B 27 0.562 22.503 -9.681 1.00 0.00 H new ATOM 0 HD21 ASN B 27 2.261 22.194 -12.856 1.00 0.00 H new ATOM 0 HD22 ASN B 27 2.567 22.462 -11.136 1.00 0.00 H new ATOM 1389 N PRO B 28 -2.993 22.458 -11.727 1.00 0.00 N ATOM 1390 CA PRO B 28 -3.879 21.380 -12.187 1.00 0.00 C ATOM 1391 C PRO B 28 -3.144 20.179 -12.802 1.00 0.00 C ATOM 1392 O PRO B 28 -3.696 19.079 -12.831 1.00 0.00 O ATOM 1393 CB PRO B 28 -4.856 22.031 -13.172 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.093 23.248 -13.687 1.00 0.00 C ATOM 1395 CD PRO B 28 -3.256 23.674 -12.483 1.00 0.00 C ATOM 0 HA PRO B 28 -4.397 20.940 -11.335 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.120 21.351 -13.982 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.786 22.319 -12.682 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.467 22.997 -14.543 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.769 24.041 -14.007 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.326 24.144 -12.801 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.790 24.404 -11.875 1.00 0.00 H new ATOM 1403 N GLU B 29 -1.884 20.347 -13.221 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.014 19.250 -13.681 1.00 0.00 C ATOM 1405 C GLU B 29 -0.804 18.157 -12.618 1.00 0.00 C ATOM 1406 O GLU B 29 -0.685 16.974 -12.937 1.00 0.00 O ATOM 1407 CB GLU B 29 0.345 19.845 -14.085 1.00 0.00 C ATOM 1408 CG GLU B 29 1.078 19.050 -15.173 1.00 0.00 C ATOM 1409 CD GLU B 29 0.391 19.180 -16.549 1.00 0.00 C ATOM 1410 OE1 GLU B 29 0.624 20.192 -17.255 1.00 0.00 O ATOM 1411 OE2 GLU B 29 -0.378 18.269 -16.939 1.00 0.00 O ATOM 0 H GLU B 29 -1.431 21.260 -13.252 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.505 18.769 -14.527 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.193 20.866 -14.436 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.981 19.903 -13.202 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.107 19.402 -15.247 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.120 17.999 -14.887 1.00 0.00 H new ATOM 1418 N LYS B 30 -0.785 18.569 -11.346 1.00 0.00 N ATOM 1419 CA LYS B 30 -0.788 17.721 -10.144 1.00 0.00 C ATOM 1420 C LYS B 30 -2.181 17.587 -9.523 1.00 0.00 C ATOM 1421 O LYS B 30 -2.537 16.481 -9.114 1.00 0.00 O ATOM 1422 CB LYS B 30 0.210 18.262 -9.101 1.00 0.00 C ATOM 1423 CG LYS B 30 1.651 17.723 -9.174 1.00 0.00 C ATOM 1424 CD LYS B 30 2.408 17.929 -10.495 1.00 0.00 C ATOM 1425 CE LYS B 30 2.259 16.720 -11.429 1.00 0.00 C ATOM 1426 NZ LYS B 30 3.122 16.842 -12.634 1.00 0.00 N ATOM 0 H LYS B 30 -0.766 19.562 -11.112 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.479 16.724 -10.459 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.248 19.347 -9.198 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.184 18.044 -8.108 1.00 0.00 H new ATOM 0 HG2 LYS B 30 2.228 18.191 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.624 16.654 -8.963 1.00 0.00 H new ATOM 0 HD2 LYS B 30 2.033 18.823 -10.994 1.00 0.00 H new ATOM 0 HD3 LYS B 30 3.464 18.100 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.517 15.809 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.218 16.624 -11.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.993 16.006 -13.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.859 17.697 -13.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 4.118 16.908 -12.342 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.000 18.649 -9.504 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.367 18.648 -8.933 1.00 0.00 C ATOM 1442 C LYS B 31 -5.387 17.737 -9.638 1.00 0.00 C ATOM 1443 O LYS B 31 -6.513 17.608 -9.166 1.00 0.00 O ATOM 1444 CB LYS B 31 -4.908 20.085 -8.793 1.00 0.00 C ATOM 1445 CG LYS B 31 -5.606 20.267 -7.436 1.00 0.00 C ATOM 1446 CD LYS B 31 -6.237 21.657 -7.326 1.00 0.00 C ATOM 1447 CE LYS B 31 -6.898 21.805 -5.949 1.00 0.00 C ATOM 1448 NZ LYS B 31 -7.547 23.132 -5.784 1.00 0.00 N ATOM 0 H LYS B 31 -2.731 19.553 -9.891 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.248 18.201 -7.946 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.090 20.799 -8.886 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.609 20.296 -9.601 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.375 19.504 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -4.885 20.126 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.477 22.426 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.977 21.797 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.641 21.019 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.148 21.669 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -7.981 23.191 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.834 23.882 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.281 23.252 -6.511 1.00 0.00 H new ATOM 1462 N SER B 32 -4.995 17.068 -10.723 1.00 0.00 N ATOM 1463 CA SER B 32 -5.769 16.007 -11.394 1.00 0.00 C ATOM 1464 C SER B 32 -5.065 14.638 -11.398 1.00 0.00 C ATOM 1465 O SER B 32 -5.551 13.688 -12.014 1.00 0.00 O ATOM 1466 CB SER B 32 -6.151 16.459 -12.810 1.00 0.00 C ATOM 1467 OG SER B 32 -5.001 16.688 -13.609 1.00 0.00 O ATOM 0 H SER B 32 -4.101 17.251 -11.179 1.00 0.00 H new ATOM 0 HA SER B 32 -6.677 15.853 -10.811 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.777 15.700 -13.279 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.745 17.371 -12.754 1.00 0.00 H new ATOM 0 HG SER B 32 -4.575 17.527 -13.336 1.00 0.00 H new ATOM 1473 N VAL B 33 -3.962 14.509 -10.647 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.196 13.264 -10.453 1.00 0.00 C ATOM 1475 C VAL B 33 -3.264 12.817 -8.992 1.00 0.00 C ATOM 1476 O VAL B 33 -3.639 11.671 -8.739 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.737 13.424 -10.932 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.922 12.139 -10.732 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.682 13.773 -12.425 1.00 0.00 C ATOM 0 H VAL B 33 -3.562 15.297 -10.138 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.650 12.484 -11.064 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.311 14.228 -10.332 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.098 12.297 -11.083 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.906 11.879 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.378 11.327 -11.298 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.643 13.880 -12.736 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -2.153 12.977 -13.002 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.211 14.710 -12.599 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.027 13.706 -8.011 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.261 13.360 -6.606 1.00 0.00 C ATOM 1491 C LEU B 34 -4.766 13.226 -6.285 1.00 0.00 C ATOM 1492 O LEU B 34 -5.135 12.540 -5.335 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.448 14.282 -5.675 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.209 15.467 -5.085 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -2.443 16.060 -3.906 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -3.490 16.579 -6.086 1.00 0.00 C ATOM 0 H LEU B 34 -2.680 14.653 -8.165 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.876 12.359 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.054 13.682 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.592 14.664 -6.230 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.170 15.063 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.000 16.903 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.318 15.300 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.464 16.400 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.033 17.385 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.548 16.963 -6.477 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.090 16.187 -6.907 1.00 0.00 H new ATOM 1508 N GLN B 35 -5.651 13.828 -7.095 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.104 13.729 -6.915 1.00 0.00 C ATOM 1510 C GLN B 35 -7.620 12.297 -7.136 1.00 0.00 C ATOM 1511 O GLN B 35 -8.503 11.840 -6.409 1.00 0.00 O ATOM 1512 CB GLN B 35 -7.772 14.767 -7.831 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.248 15.075 -7.519 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.262 14.047 -8.022 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -10.004 13.228 -8.896 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.468 14.072 -7.499 1.00 0.00 N ATOM 0 H GLN B 35 -5.376 14.398 -7.895 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.368 13.955 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.205 15.696 -7.772 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -7.702 14.416 -8.860 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -9.360 15.169 -6.439 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -9.497 16.044 -7.951 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.694 14.749 -6.771 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.177 13.414 -7.821 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.019 11.548 -8.069 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.361 10.141 -8.324 1.00 0.00 C ATOM 1527 C LYS B 36 -6.961 9.225 -7.162 1.00 0.00 C ATOM 1528 O LYS B 36 -7.733 8.344 -6.790 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.718 9.718 -9.656 1.00 0.00 C ATOM 1530 CG LYS B 36 -7.344 8.445 -10.241 1.00 0.00 C ATOM 1531 CD LYS B 36 -6.696 8.108 -11.595 1.00 0.00 C ATOM 1532 CE LYS B 36 -7.295 6.852 -12.245 1.00 0.00 C ATOM 1533 NZ LYS B 36 -8.670 7.083 -12.764 1.00 0.00 N ATOM 0 H LYS B 36 -6.277 11.902 -8.673 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.444 10.041 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -6.817 10.530 -10.376 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -5.651 9.556 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -7.210 7.614 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -8.418 8.584 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -6.817 8.954 -12.271 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -5.625 7.963 -11.454 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -6.651 6.527 -13.062 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -7.316 6.043 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -9.031 6.207 -13.193 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -9.293 7.368 -11.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -8.648 7.836 -13.481 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.815 9.493 -6.523 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.445 8.871 -5.240 1.00 0.00 C ATOM 1549 C ILE B 37 -6.474 9.249 -4.168 1.00 0.00 C ATOM 1550 O ILE B 37 -6.963 8.361 -3.479 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.026 9.294 -4.779 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -2.912 8.962 -5.786 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.736 8.695 -3.391 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.513 9.485 -5.427 1.00 0.00 C ATOM 0 H ILE B 37 -5.117 10.146 -6.879 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.437 7.791 -5.384 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.023 10.382 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.858 7.879 -5.896 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.193 9.368 -6.758 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.739 8.993 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.473 9.060 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.790 7.608 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.806 9.195 -6.204 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.540 10.572 -5.349 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.199 9.060 -4.473 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.850 10.528 -4.026 1.00 0.00 N ATOM 1567 CA LEU B 38 -7.819 10.941 -3.008 1.00 0.00 C ATOM 1568 C LEU B 38 -9.169 10.204 -3.163 1.00 0.00 C ATOM 1569 O LEU B 38 -9.708 9.716 -2.168 1.00 0.00 O ATOM 1570 CB LEU B 38 -7.829 12.482 -2.850 1.00 0.00 C ATOM 1571 CG LEU B 38 -9.113 13.207 -3.262 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -10.266 13.121 -2.256 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -8.841 14.707 -3.437 1.00 0.00 C ATOM 0 H LEU B 38 -6.497 11.291 -4.603 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.508 10.604 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.625 12.718 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -7.005 12.890 -3.436 1.00 0.00 H new ATOM 0 HG LEU B 38 -9.411 12.700 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -11.127 13.666 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -10.537 12.077 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -9.955 13.559 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -9.761 15.212 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.482 15.124 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -8.086 14.852 -4.210 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.672 10.006 -4.388 1.00 0.00 N ATOM 1586 CA GLU B 39 -10.888 9.206 -4.601 1.00 0.00 C ATOM 1587 C GLU B 39 -10.707 7.713 -4.297 1.00 0.00 C ATOM 1588 O GLU B 39 -11.599 7.087 -3.723 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.399 9.367 -6.040 1.00 0.00 C ATOM 1590 CG GLU B 39 -11.994 10.754 -6.312 1.00 0.00 C ATOM 1591 CD GLU B 39 -12.628 10.886 -7.717 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -12.534 9.958 -8.558 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -13.249 11.943 -7.987 1.00 0.00 O ATOM 0 H GLU B 39 -9.261 10.385 -5.241 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.619 9.593 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.578 9.187 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -12.155 8.608 -6.238 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.751 10.971 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.211 11.505 -6.203 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.552 7.141 -4.630 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.193 5.775 -4.291 1.00 0.00 C ATOM 1602 C ASP B 40 -9.085 5.559 -2.771 1.00 0.00 C ATOM 1603 O ASP B 40 -9.515 4.522 -2.271 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.852 5.491 -4.974 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.931 4.996 -6.427 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.035 4.806 -6.993 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.835 4.774 -6.991 1.00 0.00 O ATOM 0 H ASP B 40 -8.827 7.629 -5.155 1.00 0.00 H new ATOM 0 HA ASP B 40 -9.970 5.092 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.255 6.403 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.317 4.746 -4.385 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.560 6.533 -2.014 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.441 6.396 -0.554 1.00 0.00 C ATOM 1614 C GLU B 41 -9.812 6.514 0.122 1.00 0.00 C ATOM 1615 O GLU B 41 -10.135 5.723 1.008 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.451 7.401 0.070 1.00 0.00 C ATOM 1617 CG GLU B 41 -5.979 7.346 -0.392 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.286 5.982 -0.312 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.820 5.003 0.266 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.154 5.832 -0.846 1.00 0.00 O ATOM 0 H GLU B 41 -8.213 7.418 -2.384 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.037 5.400 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.826 8.406 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.468 7.260 1.151 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.933 7.692 -1.425 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.407 8.055 0.207 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.667 7.426 -0.347 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.063 7.519 0.098 1.00 0.00 C ATOM 1629 C GLU B 42 -12.827 6.195 -0.109 1.00 0.00 C ATOM 1630 O GLU B 42 -13.639 5.808 0.737 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.744 8.697 -0.618 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.145 8.991 -0.067 1.00 0.00 C ATOM 1633 CD GLU B 42 -14.744 10.252 -0.717 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.296 10.158 -1.842 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -14.689 11.345 -0.101 1.00 0.00 O ATOM 0 H GLU B 42 -10.412 8.123 -1.047 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.078 7.704 1.172 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.123 9.587 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.815 8.478 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.798 8.138 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.093 9.125 1.014 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.525 5.456 -1.187 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.101 4.130 -1.461 1.00 0.00 C ATOM 1644 C LYS B 43 -12.667 3.069 -0.443 1.00 0.00 C ATOM 1645 O LYS B 43 -13.504 2.293 0.012 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.749 3.692 -2.898 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.891 2.939 -3.594 1.00 0.00 C ATOM 1648 CD LYS B 43 -15.044 3.865 -4.019 1.00 0.00 C ATOM 1649 CE LYS B 43 -16.120 3.061 -4.760 1.00 0.00 C ATOM 1650 NZ LYS B 43 -17.239 3.930 -5.210 1.00 0.00 N ATOM 0 H LYS B 43 -11.866 5.766 -1.902 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.183 4.220 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.490 4.572 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.865 3.055 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.500 2.427 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.276 2.171 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.477 4.345 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.665 4.659 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -15.675 2.564 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -16.506 2.279 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -17.948 3.354 -5.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -17.679 4.384 -4.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -16.874 4.661 -5.854 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.396 3.045 -0.027 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.870 2.113 0.952 1.00 0.00 C ATOM 1666 C HIS B 44 -11.526 2.268 2.322 1.00 0.00 C ATOM 1667 O HIS B 44 -11.866 1.267 2.948 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.370 2.385 1.055 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.557 2.165 -0.195 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -7.201 2.509 -0.363 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -9.019 1.565 -1.328 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.915 2.126 -1.631 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.985 1.574 -2.222 1.00 0.00 N ATOM 0 H HIS B 44 -10.693 3.695 -0.377 1.00 0.00 H new ATOM 0 HA HIS B 44 -11.080 1.093 0.631 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.232 3.418 1.374 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.962 1.751 1.843 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -10.008 1.162 -1.488 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.952 2.249 -2.104 1.00 0.00 H new ATOM 0 HE2 HIS B 44 -8.021 1.220 -3.178 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.754 3.508 2.764 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.433 3.835 4.027 1.00 0.00 C ATOM 1683 C ILE B 45 -13.827 3.181 4.120 1.00 0.00 C ATOM 1684 O ILE B 45 -14.190 2.660 5.176 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.449 5.381 4.186 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -11.220 5.893 4.970 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.708 5.924 4.884 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.853 5.676 4.314 1.00 0.00 C ATOM 0 H ILE B 45 -11.465 4.335 2.242 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.885 3.413 4.870 1.00 0.00 H new ATOM 0 HB ILE B 45 -12.434 5.751 3.161 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -11.348 6.961 5.146 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -11.211 5.408 5.946 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.644 7.010 4.957 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.591 5.651 4.306 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.782 5.497 5.884 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -9.072 6.077 4.960 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.687 4.609 4.163 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.826 6.187 3.351 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.589 3.133 3.021 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.899 2.476 2.966 1.00 0.00 C ATOM 1702 C GLU B 46 -15.813 0.947 3.138 1.00 0.00 C ATOM 1703 O GLU B 46 -16.670 0.339 3.783 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.569 2.821 1.625 1.00 0.00 C ATOM 1705 CG GLU B 46 -16.973 4.296 1.478 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.148 4.669 2.403 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.317 4.366 2.057 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -17.916 5.280 3.474 1.00 0.00 O ATOM 0 H GLU B 46 -14.310 3.554 2.135 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.493 2.846 3.802 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.888 2.561 0.815 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.457 2.200 1.506 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.117 4.931 1.706 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.250 4.494 0.443 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.769 0.315 2.595 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.535 -1.126 2.688 1.00 0.00 C ATOM 1717 C TRP B 47 -13.977 -1.532 4.060 1.00 0.00 C ATOM 1718 O TRP B 47 -14.376 -2.551 4.620 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.547 -1.530 1.588 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.836 -1.126 0.166 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.002 -0.660 -0.340 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.901 -1.124 -0.954 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.831 -0.317 -1.671 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.547 -0.580 -2.101 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.561 -1.524 -1.106 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.877 -0.404 -3.323 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.873 -1.364 -2.323 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.523 -0.779 -3.426 1.00 0.00 C ATOM 0 H TRP B 47 -14.047 0.804 2.066 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.488 -1.640 2.562 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.572 -1.122 1.855 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.455 -2.616 1.610 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -15.926 -0.569 0.211 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.563 0.080 -2.260 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.046 -1.966 -0.266 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.394 0.014 -4.174 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.847 -1.690 -2.411 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -10.985 -0.618 -4.349 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.110 -0.704 4.643 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.623 -0.819 6.021 1.00 0.00 C ATOM 1741 C LEU B 48 -13.774 -0.931 7.028 1.00 0.00 C ATOM 1742 O LEU B 48 -13.809 -1.839 7.856 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.777 0.437 6.322 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.270 0.233 6.455 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.895 -0.835 7.484 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.606 -0.090 5.121 1.00 0.00 C ATOM 0 H LEU B 48 -12.712 0.096 4.151 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.029 -1.728 6.119 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.953 1.164 5.529 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -12.143 0.880 7.248 1.00 0.00 H new ATOM 0 HG LEU B 48 -9.892 1.191 6.812 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.810 -0.931 7.530 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -10.276 -0.546 8.464 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -10.332 -1.790 7.193 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.535 -0.226 5.271 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -10.034 -1.006 4.714 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -9.773 0.730 4.423 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.761 -0.050 6.897 1.00 0.00 N ATOM 1759 CA GLU B 49 -16.017 -0.078 7.664 1.00 0.00 C ATOM 1760 C GLU B 49 -16.830 -1.372 7.521 1.00 0.00 C ATOM 1761 O GLU B 49 -17.582 -1.743 8.422 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.911 1.082 7.203 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.644 1.740 8.378 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.570 2.882 7.910 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.655 2.595 7.348 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -18.243 4.074 8.134 1.00 0.00 O ATOM 0 H GLU B 49 -14.715 0.727 6.238 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.721 0.000 8.710 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.303 1.828 6.691 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.640 0.714 6.481 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.232 0.989 8.906 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -16.915 2.131 9.088 1.00 0.00 H new ATOM 1773 N THR B 50 -16.687 -2.061 6.388 1.00 0.00 N ATOM 1774 CA THR B 50 -17.381 -3.311 6.078 1.00 0.00 C ATOM 1775 C THR B 50 -16.649 -4.513 6.686 1.00 0.00 C ATOM 1776 O THR B 50 -17.273 -5.510 7.054 1.00 0.00 O ATOM 1777 CB THR B 50 -17.517 -3.421 4.552 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.280 -2.344 4.041 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.222 -4.689 4.120 1.00 0.00 C ATOM 0 H THR B 50 -16.066 -1.755 5.639 1.00 0.00 H new ATOM 0 HA THR B 50 -18.376 -3.310 6.522 1.00 0.00 H new ATOM 0 HB THR B 50 -16.498 -3.415 4.166 1.00 0.00 H new ATOM 0 HG1 THR B 50 -17.715 -1.546 3.974 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.291 -4.715 3.032 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.659 -5.555 4.469 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.224 -4.712 4.547 1.00 0.00 H new ATOM 1787 N ILE B 51 -15.331 -4.391 6.859 1.00 0.00 N ATOM 1788 CA ILE B 51 -14.485 -5.311 7.636 1.00 0.00 C ATOM 1789 C ILE B 51 -14.630 -5.118 9.156 1.00 0.00 C ATOM 1790 O ILE B 51 -14.501 -6.070 9.928 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.021 -5.221 7.129 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -12.889 -5.633 5.640 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -12.053 -6.069 7.973 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -13.487 -6.998 5.264 1.00 0.00 C ATOM 0 H ILE B 51 -14.801 -3.622 6.449 1.00 0.00 H new ATOM 0 HA ILE B 51 -14.831 -6.331 7.468 1.00 0.00 H new ATOM 0 HB ILE B 51 -12.746 -4.171 7.231 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.367 -4.868 5.028 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -11.831 -5.637 5.377 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -11.043 -5.971 7.576 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.072 -5.723 9.006 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -12.358 -7.115 7.935 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.337 -7.180 4.200 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -12.995 -7.782 5.840 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -14.554 -7.001 5.485 1.00 0.00 H new ATOM 1806 N ASN B 52 -14.972 -3.905 9.579 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.336 -3.567 10.961 1.00 0.00 C ATOM 1808 C ASN B 52 -16.702 -4.176 11.378 1.00 0.00 C ATOM 1809 O ASN B 52 -17.518 -4.561 10.533 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.302 -2.030 11.113 1.00 0.00 C ATOM 1811 CG ASN B 52 -15.345 -1.551 12.558 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.986 -2.253 13.493 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -15.800 -0.343 12.796 1.00 0.00 N ATOM 0 H ASN B 52 -15.006 -3.100 8.953 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.611 -4.010 11.644 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -14.397 -1.648 10.641 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -16.147 -1.603 10.574 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -15.852 0.003 13.754 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -16.102 0.250 12.023 1.00 0.00 H new ATOM 1820 N GLY B 53 -16.966 -4.242 12.690 1.00 0.00 N ATOM 1821 CA GLY B 53 -18.205 -4.770 13.285 1.00 0.00 C ATOM 1822 C GLY B 53 -18.218 -4.680 14.810 1.00 0.00 C ATOM 1823 O GLY B 53 -18.861 -3.751 15.345 1.00 0.00 O ATOM 1824 OXT GLY B 53 -17.581 -5.540 15.458 1.00 0.00 O ATOM 0 H GLY B 53 -16.301 -3.918 13.392 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -19.057 -4.219 12.886 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -18.331 -5.811 12.986 1.00 0.00 H new TER 1828 GLY B 53 HETATM 1829 ZN ZN A 54 -2.552 4.795 -1.725 1.00 0.00 ZN HETATM 1830 ZN ZN B 154 -5.763 3.348 0.926 1.00 0.00 ZN