USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 37 TYR OH : rot 21:sc= 1.22 USER MOD Set 1.2: B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0604 (180deg=-0.459) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.169 (180deg=-0.31) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 0.036 (180deg=-0.101) USER MOD Single : A 3 SER OG : rot 34:sc= 0.399 USER MOD Single : A 4 THR OG1 : rot 28:sc= -1.68 USER MOD Single : A 9 LYS NZ :NH3+ -131:sc= 0.724 (180deg=0.00151) USER MOD Single : A 25 THR OG1 : rot 58:sc= 0.659 USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= 1.34 (180deg=1.12) USER MOD Single : A 37 TYR OH : rot 25:sc= 1.26 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 129:sc= 1.31 (180deg=0.438) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 52 MET CE :methyl 158:sc= -0.148 (180deg=-0.766) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : B 1 MET CE :methyl 161:sc= -0.0857 (180deg=-0.534) USER MOD Single : B 1 MET N :NH3+ -166:sc= -0.0473 (180deg=-0.317) USER MOD Single : B 2 LYS NZ :NH3+ 155:sc= 0.687 (180deg=-0.428!) USER MOD Single : B 3 SER OG : rot 180:sc= -0.0371 USER MOD Single : B 4 THR OG1 : rot 49:sc= -1.01 USER MOD Single : B 9 LYS NZ :NH3+ -127:sc= 1.29 (180deg=-0.378) USER MOD Single : B 25 THR OG1 : rot 54:sc= 0.631 USER MOD Single : B 31 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.15) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ -131:sc= 1.02 (180deg=-0.0115) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : B 52 MET CE :methyl 159:sc= -0.271 (180deg=-0.912) USER MOD Single : B 53 THR OG1 : rot 46:sc= 0.426 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.442 14.488 5.864 1.00 1.54 N ATOM 2 CA MET A 1 5.748 13.802 6.014 1.00 0.91 C ATOM 3 C MET A 1 5.610 12.603 6.958 1.00 0.89 C ATOM 4 O MET A 1 6.593 12.065 7.464 1.00 1.68 O ATOM 5 CB MET A 1 6.804 14.792 6.528 1.00 1.24 C ATOM 6 CG MET A 1 8.236 14.297 6.387 1.00 1.65 C ATOM 7 SD MET A 1 9.456 15.554 6.823 1.00 2.37 S ATOM 8 CE MET A 1 9.029 15.857 8.536 1.00 2.99 C ATOM 0 H1 MET A 1 4.583 15.405 5.394 1.00 1.54 H new ATOM 0 H2 MET A 1 3.805 13.899 5.291 1.00 1.54 H new ATOM 0 H3 MET A 1 4.021 14.642 6.802 1.00 1.54 H new ATOM 0 HA MET A 1 6.072 13.431 5.042 1.00 0.91 H new ATOM 0 HB2 MET A 1 6.700 15.732 5.986 1.00 1.24 H new ATOM 0 HB3 MET A 1 6.606 15.006 7.578 1.00 1.24 H new ATOM 0 HG2 MET A 1 8.378 13.423 7.023 1.00 1.65 H new ATOM 0 HG3 MET A 1 8.405 13.974 5.360 1.00 1.65 H new ATOM 0 HE1 MET A 1 9.854 16.368 9.032 1.00 2.99 H new ATOM 0 HE2 MET A 1 8.136 16.480 8.584 1.00 2.99 H new ATOM 0 HE3 MET A 1 8.837 14.908 9.036 1.00 2.99 H new ATOM 20 N LYS A 2 4.369 12.196 7.188 1.00 0.70 N ATOM 21 CA LYS A 2 4.056 11.015 7.976 1.00 0.49 C ATOM 22 C LYS A 2 2.789 10.391 7.378 1.00 0.38 C ATOM 23 O LYS A 2 2.696 10.239 6.161 1.00 0.43 O ATOM 24 CB LYS A 2 3.855 11.412 9.448 1.00 0.61 C ATOM 25 CG LYS A 2 3.627 10.243 10.402 1.00 1.19 C ATOM 26 CD LYS A 2 2.578 10.594 11.450 1.00 1.30 C ATOM 27 CE LYS A 2 1.874 9.352 11.982 1.00 1.32 C ATOM 28 NZ LYS A 2 2.742 8.523 12.865 1.00 1.86 N ATOM 0 H LYS A 2 3.546 12.681 6.830 1.00 0.70 H new ATOM 0 HA LYS A 2 4.868 10.288 7.948 1.00 0.49 H new ATOM 0 HB2 LYS A 2 4.730 11.969 9.782 1.00 0.61 H new ATOM 0 HB3 LYS A 2 3.002 12.088 9.514 1.00 0.61 H new ATOM 0 HG2 LYS A 2 3.306 9.366 9.839 1.00 1.19 H new ATOM 0 HG3 LYS A 2 4.564 9.981 10.893 1.00 1.19 H new ATOM 0 HD2 LYS A 2 3.052 11.125 12.275 1.00 1.30 H new ATOM 0 HD3 LYS A 2 1.842 11.271 11.016 1.00 1.30 H new ATOM 0 HE2 LYS A 2 0.985 9.654 12.536 1.00 1.32 H new ATOM 0 HE3 LYS A 2 1.535 8.746 11.142 1.00 1.32 H new ATOM 0 HZ1 LYS A 2 2.266 7.622 13.072 1.00 1.86 H new ATOM 0 HZ2 LYS A 2 3.646 8.335 12.386 1.00 1.86 H new ATOM 0 HZ3 LYS A 2 2.920 9.033 13.754 1.00 1.86 H new ATOM 42 N SER A 3 1.829 10.024 8.210 1.00 0.32 N ATOM 43 CA SER A 3 0.530 9.625 7.738 1.00 0.24 C ATOM 44 C SER A 3 -0.145 10.767 7.035 1.00 0.25 C ATOM 45 O SER A 3 -0.253 11.870 7.570 1.00 0.41 O ATOM 46 CB SER A 3 -0.308 9.181 8.924 1.00 0.29 C ATOM 47 OG SER A 3 -0.431 10.225 9.876 1.00 1.15 O ATOM 0 H SER A 3 1.935 9.997 9.224 1.00 0.32 H new ATOM 0 HA SER A 3 0.639 8.802 7.031 1.00 0.24 H new ATOM 0 HB2 SER A 3 -1.297 8.877 8.582 1.00 0.29 H new ATOM 0 HB3 SER A 3 0.149 8.309 9.392 1.00 0.29 H new ATOM 0 HG SER A 3 -0.457 11.088 9.413 1.00 1.15 H new ATOM 53 N THR A 4 -0.595 10.497 5.841 1.00 0.20 N ATOM 54 CA THR A 4 -1.235 11.502 5.054 1.00 0.20 C ATOM 55 C THR A 4 -2.745 11.416 5.201 1.00 0.21 C ATOM 56 O THR A 4 -3.444 12.428 5.172 1.00 0.26 O ATOM 57 CB THR A 4 -0.831 11.346 3.587 1.00 0.19 C ATOM 58 OG1 THR A 4 -0.951 9.969 3.203 1.00 0.19 O ATOM 59 CG2 THR A 4 0.597 11.812 3.381 1.00 0.24 C ATOM 0 H THR A 4 -0.527 9.583 5.394 1.00 0.20 H new ATOM 0 HA THR A 4 -0.915 12.482 5.408 1.00 0.20 H new ATOM 0 HB THR A 4 -1.490 11.957 2.970 1.00 0.19 H new ATOM 0 HG1 THR A 4 -1.640 9.536 3.749 1.00 0.19 H new ATOM 0 HG21 THR A 4 0.870 11.695 2.332 1.00 0.24 H new ATOM 0 HG22 THR A 4 0.682 12.861 3.663 1.00 0.24 H new ATOM 0 HG23 THR A 4 1.267 11.215 3.999 1.00 0.24 H new ATOM 67 N GLY A 5 -3.244 10.199 5.392 1.00 0.19 N ATOM 68 CA GLY A 5 -4.676 9.985 5.389 1.00 0.22 C ATOM 69 C GLY A 5 -5.212 10.163 3.989 1.00 0.22 C ATOM 70 O GLY A 5 -6.330 10.625 3.778 1.00 0.36 O ATOM 0 H GLY A 5 -2.683 9.361 5.548 1.00 0.19 H new ATOM 0 HA2 GLY A 5 -4.905 8.983 5.752 1.00 0.22 H new ATOM 0 HA3 GLY A 5 -5.160 10.688 6.067 1.00 0.22 H new ATOM 74 N ILE A 6 -4.383 9.778 3.041 1.00 0.14 N ATOM 75 CA ILE A 6 -4.599 10.055 1.637 1.00 0.14 C ATOM 76 C ILE A 6 -5.077 8.795 0.928 1.00 0.12 C ATOM 77 O ILE A 6 -4.422 7.757 0.990 1.00 0.11 O ATOM 78 CB ILE A 6 -3.278 10.597 1.011 1.00 0.16 C ATOM 79 CG1 ILE A 6 -3.373 12.111 0.786 1.00 0.18 C ATOM 80 CG2 ILE A 6 -2.932 9.902 -0.302 1.00 0.17 C ATOM 81 CD1 ILE A 6 -3.578 12.915 2.049 1.00 0.19 C ATOM 0 H ILE A 6 -3.527 9.256 3.228 1.00 0.14 H new ATOM 0 HA ILE A 6 -5.372 10.815 1.520 1.00 0.14 H new ATOM 0 HB ILE A 6 -2.479 10.382 1.720 1.00 0.16 H new ATOM 0 HG12 ILE A 6 -2.461 12.452 0.296 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.197 12.314 0.102 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -2.004 10.314 -0.698 1.00 0.17 H new ATOM 0 HG22 ILE A 6 -2.808 8.833 -0.126 1.00 0.17 H new ATOM 0 HG23 ILE A 6 -3.736 10.061 -1.021 1.00 0.17 H new ATOM 0 HD11 ILE A 6 -3.634 13.975 1.801 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -4.505 12.605 2.531 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -2.742 12.745 2.728 1.00 0.19 H new ATOM 93 N VAL A 7 -6.232 8.866 0.286 1.00 0.13 N ATOM 94 CA VAL A 7 -6.768 7.690 -0.374 1.00 0.12 C ATOM 95 C VAL A 7 -6.306 7.630 -1.825 1.00 0.13 C ATOM 96 O VAL A 7 -6.113 8.662 -2.478 1.00 0.16 O ATOM 97 CB VAL A 7 -8.317 7.606 -0.321 1.00 0.15 C ATOM 98 CG1 VAL A 7 -8.859 8.199 0.964 1.00 0.22 C ATOM 99 CG2 VAL A 7 -8.977 8.251 -1.533 1.00 0.21 C ATOM 0 H VAL A 7 -6.805 9.707 0.209 1.00 0.13 H new ATOM 0 HA VAL A 7 -6.380 6.835 0.179 1.00 0.12 H new ATOM 0 HB VAL A 7 -8.570 6.546 -0.343 1.00 0.15 H new ATOM 0 HG11 VAL A 7 -9.946 8.124 0.969 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -8.454 7.653 1.816 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -8.567 9.247 1.033 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.060 8.165 -1.446 1.00 0.21 H new ATOM 0 HG22 VAL A 7 -8.699 9.304 -1.581 1.00 0.21 H new ATOM 0 HG23 VAL A 7 -8.644 7.746 -2.440 1.00 0.21 H new ATOM 109 N ARG A 8 -6.109 6.416 -2.309 1.00 0.12 N ATOM 110 CA ARG A 8 -5.736 6.179 -3.693 1.00 0.14 C ATOM 111 C ARG A 8 -6.505 4.992 -4.245 1.00 0.15 C ATOM 112 O ARG A 8 -6.937 4.123 -3.492 1.00 0.13 O ATOM 113 CB ARG A 8 -4.231 5.927 -3.812 1.00 0.14 C ATOM 114 CG ARG A 8 -3.384 7.144 -3.488 1.00 0.20 C ATOM 115 CD ARG A 8 -3.572 8.222 -4.536 1.00 0.32 C ATOM 116 NE ARG A 8 -2.754 9.406 -4.272 1.00 0.48 N ATOM 117 CZ ARG A 8 -2.233 10.174 -5.226 1.00 0.65 C ATOM 118 NH1 ARG A 8 -2.421 9.872 -6.504 1.00 1.60 N ATOM 119 NH2 ARG A 8 -1.516 11.243 -4.903 1.00 0.67 N ATOM 0 H ARG A 8 -6.203 5.566 -1.753 1.00 0.12 H new ATOM 0 HA ARG A 8 -5.986 7.068 -4.273 1.00 0.14 H new ATOM 0 HB2 ARG A 8 -3.953 5.113 -3.143 1.00 0.14 H new ATOM 0 HB3 ARG A 8 -4.005 5.597 -4.826 1.00 0.14 H new ATOM 0 HG2 ARG A 8 -3.657 7.532 -2.507 1.00 0.20 H new ATOM 0 HG3 ARG A 8 -2.333 6.859 -3.437 1.00 0.20 H new ATOM 0 HD2 ARG A 8 -3.318 7.820 -5.517 1.00 0.32 H new ATOM 0 HD3 ARG A 8 -4.623 8.510 -4.572 1.00 0.32 H new ATOM 0 HE ARG A 8 -2.572 9.657 -3.300 1.00 0.48 H new ATOM 0 HH11 ARG A 8 -2.967 9.049 -6.759 1.00 1.60 H new ATOM 0 HH12 ARG A 8 -2.020 10.463 -7.232 1.00 1.60 H new ATOM 0 HH21 ARG A 8 -1.363 11.477 -3.922 1.00 0.67 H new ATOM 0 HH22 ARG A 8 -1.118 11.830 -5.636 1.00 0.67 H new ATOM 133 N LYS A 9 -6.686 4.978 -5.551 1.00 0.18 N ATOM 134 CA LYS A 9 -7.361 3.875 -6.224 1.00 0.19 C ATOM 135 C LYS A 9 -6.393 2.720 -6.415 1.00 0.18 C ATOM 136 O LYS A 9 -5.183 2.928 -6.539 1.00 0.21 O ATOM 137 CB LYS A 9 -7.880 4.325 -7.592 1.00 0.23 C ATOM 138 CG LYS A 9 -8.721 5.590 -7.558 1.00 0.34 C ATOM 139 CD LYS A 9 -10.206 5.293 -7.680 1.00 0.43 C ATOM 140 CE LYS A 9 -10.777 4.657 -6.423 1.00 0.37 C ATOM 141 NZ LYS A 9 -12.259 4.582 -6.489 1.00 1.09 N ATOM 0 H LYS A 9 -6.374 5.722 -6.175 1.00 0.18 H new ATOM 0 HA LYS A 9 -8.201 3.555 -5.608 1.00 0.19 H new ATOM 0 HB2 LYS A 9 -7.030 4.486 -8.255 1.00 0.23 H new ATOM 0 HB3 LYS A 9 -8.474 3.520 -8.025 1.00 0.23 H new ATOM 0 HG2 LYS A 9 -8.534 6.124 -6.626 1.00 0.34 H new ATOM 0 HG3 LYS A 9 -8.416 6.250 -8.370 1.00 0.34 H new ATOM 0 HD2 LYS A 9 -10.742 6.218 -7.891 1.00 0.43 H new ATOM 0 HD3 LYS A 9 -10.372 4.628 -8.528 1.00 0.43 H new ATOM 0 HE2 LYS A 9 -10.364 3.656 -6.298 1.00 0.37 H new ATOM 0 HE3 LYS A 9 -10.477 5.237 -5.550 1.00 0.37 H new ATOM 0 HZ1 LYS A 9 -12.665 4.956 -5.608 1.00 1.09 H new ATOM 0 HZ2 LYS A 9 -12.600 5.146 -7.294 1.00 1.09 H new ATOM 0 HZ3 LYS A 9 -12.551 3.592 -6.612 1.00 1.09 H new ATOM 155 N VAL A 10 -6.927 1.512 -6.456 1.00 0.17 N ATOM 156 CA VAL A 10 -6.096 0.317 -6.566 1.00 0.17 C ATOM 157 C VAL A 10 -5.954 -0.108 -8.036 1.00 0.22 C ATOM 158 O VAL A 10 -5.532 -1.225 -8.353 1.00 0.25 O ATOM 159 CB VAL A 10 -6.675 -0.825 -5.694 1.00 0.19 C ATOM 160 CG1 VAL A 10 -5.752 -2.033 -5.647 1.00 0.22 C ATOM 161 CG2 VAL A 10 -6.937 -0.319 -4.288 1.00 0.20 C ATOM 0 H VAL A 10 -7.930 1.328 -6.415 1.00 0.17 H new ATOM 0 HA VAL A 10 -5.098 0.546 -6.193 1.00 0.17 H new ATOM 0 HB VAL A 10 -7.611 -1.145 -6.151 1.00 0.19 H new ATOM 0 HG11 VAL A 10 -6.199 -2.808 -5.024 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.605 -2.418 -6.656 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -4.790 -1.740 -5.227 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -7.344 -1.127 -3.680 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -6.004 0.031 -3.848 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -7.652 0.503 -4.324 1.00 0.20 H new ATOM 171 N ASP A 11 -6.297 0.817 -8.935 1.00 0.24 N ATOM 172 CA ASP A 11 -6.121 0.626 -10.367 1.00 0.35 C ATOM 173 C ASP A 11 -7.041 -0.491 -10.866 1.00 0.44 C ATOM 174 O ASP A 11 -8.154 -0.663 -10.378 1.00 0.77 O ATOM 175 CB ASP A 11 -4.641 0.314 -10.669 1.00 0.41 C ATOM 176 CG ASP A 11 -4.262 0.442 -12.131 1.00 0.49 C ATOM 177 OD1 ASP A 11 -4.033 1.577 -12.597 1.00 1.32 O ATOM 178 OD2 ASP A 11 -4.183 -0.599 -12.815 1.00 1.11 O ATOM 0 H ASP A 11 -6.704 1.718 -8.686 1.00 0.24 H new ATOM 0 HA ASP A 11 -6.392 1.540 -10.895 1.00 0.35 H new ATOM 0 HB2 ASP A 11 -4.013 0.985 -10.083 1.00 0.41 H new ATOM 0 HB3 ASP A 11 -4.420 -0.700 -10.336 1.00 0.41 H new ATOM 183 N GLU A 12 -6.585 -1.211 -11.858 1.00 0.34 N ATOM 184 CA GLU A 12 -7.301 -2.357 -12.395 1.00 0.38 C ATOM 185 C GLU A 12 -6.423 -3.579 -12.262 1.00 0.29 C ATOM 186 O GLU A 12 -6.870 -4.662 -11.895 1.00 0.35 O ATOM 187 CB GLU A 12 -7.640 -2.155 -13.877 1.00 0.58 C ATOM 188 CG GLU A 12 -6.975 -0.942 -14.502 1.00 0.72 C ATOM 189 CD GLU A 12 -7.860 0.290 -14.477 1.00 1.25 C ATOM 190 OE1 GLU A 12 -8.067 0.871 -13.390 1.00 2.06 O ATOM 191 OE2 GLU A 12 -8.368 0.674 -15.547 1.00 1.53 O ATOM 0 H GLU A 12 -5.698 -1.023 -12.326 1.00 0.34 H new ATOM 0 HA GLU A 12 -8.231 -2.478 -11.840 1.00 0.38 H new ATOM 0 HB2 GLU A 12 -7.344 -3.045 -14.432 1.00 0.58 H new ATOM 0 HB3 GLU A 12 -8.721 -2.059 -13.982 1.00 0.58 H new ATOM 0 HG2 GLU A 12 -6.047 -0.728 -13.972 1.00 0.72 H new ATOM 0 HG3 GLU A 12 -6.707 -1.171 -15.534 1.00 0.72 H new ATOM 198 N LEU A 13 -5.152 -3.381 -12.560 1.00 0.25 N ATOM 199 CA LEU A 13 -4.178 -4.457 -12.513 1.00 0.25 C ATOM 200 C LEU A 13 -3.852 -4.839 -11.068 1.00 0.26 C ATOM 201 O LEU A 13 -3.192 -5.845 -10.815 1.00 0.41 O ATOM 202 CB LEU A 13 -2.907 -4.058 -13.273 1.00 0.33 C ATOM 203 CG LEU A 13 -3.027 -4.026 -14.807 1.00 0.41 C ATOM 204 CD1 LEU A 13 -3.477 -5.377 -15.336 1.00 0.45 C ATOM 205 CD2 LEU A 13 -3.979 -2.929 -15.271 1.00 0.40 C ATOM 0 H LEU A 13 -4.768 -2.478 -12.839 1.00 0.25 H new ATOM 0 HA LEU A 13 -4.610 -5.332 -12.998 1.00 0.25 H new ATOM 0 HB2 LEU A 13 -2.596 -3.071 -12.931 1.00 0.33 H new ATOM 0 HB3 LEU A 13 -2.112 -4.753 -13.004 1.00 0.33 H new ATOM 0 HG LEU A 13 -2.039 -3.802 -15.210 1.00 0.41 H new ATOM 0 HD11 LEU A 13 -3.556 -5.334 -16.422 1.00 0.45 H new ATOM 0 HD12 LEU A 13 -2.750 -6.139 -15.055 1.00 0.45 H new ATOM 0 HD13 LEU A 13 -4.449 -5.629 -14.911 1.00 0.45 H new ATOM 0 HD21 LEU A 13 -4.039 -2.936 -16.359 1.00 0.40 H new ATOM 0 HD22 LEU A 13 -4.970 -3.105 -14.852 1.00 0.40 H new ATOM 0 HD23 LEU A 13 -3.610 -1.960 -14.934 1.00 0.40 H new ATOM 217 N GLY A 14 -4.304 -4.023 -10.125 1.00 0.19 N ATOM 218 CA GLY A 14 -4.188 -4.376 -8.720 1.00 0.18 C ATOM 219 C GLY A 14 -3.080 -3.635 -8.045 1.00 0.15 C ATOM 220 O GLY A 14 -2.687 -3.960 -6.936 1.00 0.18 O ATOM 0 H GLY A 14 -4.749 -3.123 -10.306 1.00 0.19 H new ATOM 0 HA2 GLY A 14 -5.129 -4.161 -8.214 1.00 0.18 H new ATOM 0 HA3 GLY A 14 -4.015 -5.448 -8.629 1.00 0.18 H new ATOM 224 N ARG A 15 -2.556 -2.647 -8.723 1.00 0.14 N ATOM 225 CA ARG A 15 -1.519 -1.834 -8.161 1.00 0.13 C ATOM 226 C ARG A 15 -2.058 -0.476 -7.715 1.00 0.14 C ATOM 227 O ARG A 15 -2.551 0.306 -8.523 1.00 0.17 O ATOM 228 CB ARG A 15 -0.369 -1.706 -9.156 1.00 0.13 C ATOM 229 CG ARG A 15 -0.776 -1.302 -10.552 1.00 0.23 C ATOM 230 CD ARG A 15 0.256 -1.779 -11.556 1.00 0.37 C ATOM 231 NE ARG A 15 0.073 -3.185 -11.915 1.00 0.86 N ATOM 232 CZ ARG A 15 0.804 -3.817 -12.836 1.00 1.03 C ATOM 233 NH1 ARG A 15 1.829 -3.206 -13.416 1.00 1.33 N ATOM 234 NH2 ARG A 15 0.531 -5.077 -13.150 1.00 1.58 N ATOM 0 H ARG A 15 -2.835 -2.388 -9.669 1.00 0.14 H new ATOM 0 HA ARG A 15 -1.133 -2.318 -7.263 1.00 0.13 H new ATOM 0 HB2 ARG A 15 0.342 -0.973 -8.774 1.00 0.13 H new ATOM 0 HB3 ARG A 15 0.154 -2.661 -9.208 1.00 0.13 H new ATOM 0 HG2 ARG A 15 -1.751 -1.726 -10.792 1.00 0.23 H new ATOM 0 HG3 ARG A 15 -0.877 -0.218 -10.610 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.195 -1.166 -12.455 1.00 0.37 H new ATOM 0 HD3 ARG A 15 1.254 -1.639 -11.142 1.00 0.37 H new ATOM 0 HE ARG A 15 -0.655 -3.713 -11.434 1.00 0.86 H new ATOM 0 HH11 ARG A 15 2.063 -2.247 -13.159 1.00 1.33 H new ATOM 0 HH12 ARG A 15 2.383 -3.695 -14.119 1.00 1.33 H new ATOM 0 HH21 ARG A 15 -0.238 -5.563 -12.688 1.00 1.58 H new ATOM 0 HH22 ARG A 15 1.090 -5.560 -13.854 1.00 1.58 H new ATOM 248 N VAL A 16 -1.939 -0.201 -6.419 1.00 0.14 N ATOM 249 CA VAL A 16 -2.448 1.040 -5.850 1.00 0.14 C ATOM 250 C VAL A 16 -1.426 2.136 -6.068 1.00 0.12 C ATOM 251 O VAL A 16 -0.245 1.953 -5.778 1.00 0.12 O ATOM 252 CB VAL A 16 -2.747 0.915 -4.327 1.00 0.15 C ATOM 253 CG1 VAL A 16 -1.477 0.808 -3.498 1.00 0.15 C ATOM 254 CG2 VAL A 16 -3.601 2.079 -3.852 1.00 0.17 C ATOM 0 H VAL A 16 -1.494 -0.822 -5.744 1.00 0.14 H new ATOM 0 HA VAL A 16 -3.387 1.275 -6.351 1.00 0.14 H new ATOM 0 HB VAL A 16 -3.303 -0.012 -4.183 1.00 0.15 H new ATOM 0 HG11 VAL A 16 -1.737 0.723 -2.443 1.00 0.15 H new ATOM 0 HG12 VAL A 16 -0.915 -0.074 -3.805 1.00 0.15 H new ATOM 0 HG13 VAL A 16 -0.867 1.698 -3.650 1.00 0.15 H new ATOM 0 HG21 VAL A 16 -3.799 1.973 -2.785 1.00 0.17 H new ATOM 0 HG22 VAL A 16 -3.073 3.015 -4.032 1.00 0.17 H new ATOM 0 HG23 VAL A 16 -4.545 2.084 -4.397 1.00 0.17 H new ATOM 264 N VAL A 17 -1.857 3.263 -6.600 1.00 0.12 N ATOM 265 CA VAL A 17 -0.918 4.315 -6.924 1.00 0.11 C ATOM 266 C VAL A 17 -0.492 5.020 -5.653 1.00 0.10 C ATOM 267 O VAL A 17 -1.079 6.024 -5.252 1.00 0.12 O ATOM 268 CB VAL A 17 -1.496 5.335 -7.925 1.00 0.14 C ATOM 269 CG1 VAL A 17 -0.386 6.168 -8.548 1.00 0.16 C ATOM 270 CG2 VAL A 17 -2.323 4.637 -8.998 1.00 0.19 C ATOM 0 H VAL A 17 -2.833 3.471 -6.813 1.00 0.12 H new ATOM 0 HA VAL A 17 -0.056 3.851 -7.404 1.00 0.11 H new ATOM 0 HB VAL A 17 -2.157 6.008 -7.379 1.00 0.14 H new ATOM 0 HG11 VAL A 17 -0.817 6.881 -9.251 1.00 0.16 H new ATOM 0 HG12 VAL A 17 0.147 6.707 -7.765 1.00 0.16 H new ATOM 0 HG13 VAL A 17 0.308 5.513 -9.075 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -2.719 5.379 -9.692 1.00 0.19 H new ATOM 0 HG22 VAL A 17 -1.694 3.932 -9.541 1.00 0.19 H new ATOM 0 HG23 VAL A 17 -3.148 4.100 -8.530 1.00 0.19 H new ATOM 280 N ILE A 18 0.507 4.446 -5.000 1.00 0.10 N ATOM 281 CA ILE A 18 1.024 5.000 -3.781 1.00 0.10 C ATOM 282 C ILE A 18 1.746 6.300 -4.088 1.00 0.10 C ATOM 283 O ILE A 18 2.682 6.326 -4.890 1.00 0.11 O ATOM 284 CB ILE A 18 1.957 4.027 -3.029 1.00 0.12 C ATOM 285 CG1 ILE A 18 2.817 4.767 -1.997 1.00 0.15 C ATOM 286 CG2 ILE A 18 2.832 3.234 -3.983 1.00 0.14 C ATOM 287 CD1 ILE A 18 3.435 3.858 -0.958 1.00 0.20 C ATOM 0 H ILE A 18 0.971 3.591 -5.306 1.00 0.10 H new ATOM 0 HA ILE A 18 0.179 5.188 -3.119 1.00 0.10 H new ATOM 0 HB ILE A 18 1.319 3.320 -2.499 1.00 0.12 H new ATOM 0 HG12 ILE A 18 3.611 5.303 -2.516 1.00 0.15 H new ATOM 0 HG13 ILE A 18 2.203 5.514 -1.494 1.00 0.15 H new ATOM 0 HG21 ILE A 18 3.474 2.561 -3.414 1.00 0.14 H new ATOM 0 HG22 ILE A 18 2.202 2.652 -4.656 1.00 0.14 H new ATOM 0 HG23 ILE A 18 3.449 3.919 -4.565 1.00 0.14 H new ATOM 0 HD11 ILE A 18 4.029 4.451 -0.263 1.00 0.20 H new ATOM 0 HD12 ILE A 18 2.646 3.340 -0.412 1.00 0.20 H new ATOM 0 HD13 ILE A 18 4.076 3.126 -1.450 1.00 0.20 H new ATOM 299 N PRO A 19 1.302 7.398 -3.479 1.00 0.14 N ATOM 300 CA PRO A 19 1.829 8.722 -3.782 1.00 0.17 C ATOM 301 C PRO A 19 3.340 8.806 -3.639 1.00 0.18 C ATOM 302 O PRO A 19 3.928 8.204 -2.732 1.00 0.15 O ATOM 303 CB PRO A 19 1.159 9.616 -2.748 1.00 0.22 C ATOM 304 CG PRO A 19 -0.097 8.899 -2.398 1.00 0.22 C ATOM 305 CD PRO A 19 0.247 7.442 -2.451 1.00 0.19 C ATOM 0 HA PRO A 19 1.627 9.002 -4.816 1.00 0.17 H new ATOM 0 HB2 PRO A 19 1.794 9.756 -1.873 1.00 0.22 H new ATOM 0 HB3 PRO A 19 0.952 10.606 -3.153 1.00 0.22 H new ATOM 0 HG2 PRO A 19 -0.448 9.184 -1.406 1.00 0.22 H new ATOM 0 HG3 PRO A 19 -0.895 9.140 -3.100 1.00 0.22 H new ATOM 0 HD2 PRO A 19 0.603 7.074 -1.489 1.00 0.19 H new ATOM 0 HD3 PRO A 19 -0.613 6.832 -2.727 1.00 0.19 H new ATOM 313 N ILE A 20 3.957 9.581 -4.521 1.00 0.24 N ATOM 314 CA ILE A 20 5.397 9.785 -4.487 1.00 0.27 C ATOM 315 C ILE A 20 5.801 10.378 -3.154 1.00 0.27 C ATOM 316 O ILE A 20 6.895 10.143 -2.664 1.00 0.26 O ATOM 317 CB ILE A 20 5.874 10.714 -5.624 1.00 0.39 C ATOM 318 CG1 ILE A 20 5.257 12.116 -5.498 1.00 0.47 C ATOM 319 CG2 ILE A 20 5.544 10.096 -6.968 1.00 0.44 C ATOM 320 CD1 ILE A 20 6.151 13.116 -4.789 1.00 0.51 C ATOM 0 H ILE A 20 3.479 10.080 -5.271 1.00 0.24 H new ATOM 0 HA ILE A 20 5.869 8.812 -4.625 1.00 0.27 H new ATOM 0 HB ILE A 20 6.955 10.827 -5.544 1.00 0.39 H new ATOM 0 HG12 ILE A 20 5.026 12.492 -6.495 1.00 0.47 H new ATOM 0 HG13 ILE A 20 4.313 12.040 -4.959 1.00 0.47 H new ATOM 0 HG21 ILE A 20 5.883 10.757 -7.766 1.00 0.44 H new ATOM 0 HG22 ILE A 20 6.045 9.132 -7.058 1.00 0.44 H new ATOM 0 HG23 ILE A 20 4.466 9.954 -7.048 1.00 0.44 H new ATOM 0 HD11 ILE A 20 5.648 14.082 -4.738 1.00 0.51 H new ATOM 0 HD12 ILE A 20 6.362 12.763 -3.779 1.00 0.51 H new ATOM 0 HD13 ILE A 20 7.086 13.222 -5.339 1.00 0.51 H new ATOM 332 N GLU A 21 4.876 11.121 -2.571 1.00 0.31 N ATOM 333 CA GLU A 21 5.114 11.846 -1.339 1.00 0.35 C ATOM 334 C GLU A 21 5.348 10.876 -0.194 1.00 0.31 C ATOM 335 O GLU A 21 6.273 11.029 0.609 1.00 0.32 O ATOM 336 CB GLU A 21 3.909 12.731 -1.031 1.00 0.42 C ATOM 337 CG GLU A 21 3.035 13.015 -2.251 1.00 0.62 C ATOM 338 CD GLU A 21 1.874 13.935 -1.935 1.00 0.61 C ATOM 339 OE1 GLU A 21 0.929 13.487 -1.255 1.00 1.17 O ATOM 340 OE2 GLU A 21 1.891 15.105 -2.374 1.00 1.33 O ATOM 0 H GLU A 21 3.933 11.238 -2.943 1.00 0.31 H new ATOM 0 HA GLU A 21 6.002 12.467 -1.456 1.00 0.35 H new ATOM 0 HB2 GLU A 21 3.302 12.251 -0.263 1.00 0.42 H new ATOM 0 HB3 GLU A 21 4.259 13.676 -0.616 1.00 0.42 H new ATOM 0 HG2 GLU A 21 3.646 13.463 -3.034 1.00 0.62 H new ATOM 0 HG3 GLU A 21 2.651 12.074 -2.645 1.00 0.62 H new ATOM 347 N LEU A 22 4.519 9.857 -0.133 1.00 0.28 N ATOM 348 CA LEU A 22 4.652 8.866 0.901 1.00 0.27 C ATOM 349 C LEU A 22 5.906 8.048 0.687 1.00 0.24 C ATOM 350 O LEU A 22 6.685 7.851 1.610 1.00 0.26 O ATOM 351 CB LEU A 22 3.423 7.981 0.962 1.00 0.27 C ATOM 352 CG LEU A 22 2.224 8.637 1.629 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.435 9.469 0.636 1.00 0.34 C ATOM 354 CD2 LEU A 22 1.348 7.590 2.282 1.00 0.32 C ATOM 0 H LEU A 22 3.751 9.697 -0.785 1.00 0.28 H new ATOM 0 HA LEU A 22 4.739 9.376 1.861 1.00 0.27 H new ATOM 0 HB2 LEU A 22 3.148 7.688 -0.051 1.00 0.27 H new ATOM 0 HB3 LEU A 22 3.672 7.067 1.502 1.00 0.27 H new ATOM 0 HG LEU A 22 2.588 9.311 2.405 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.584 9.926 1.140 1.00 0.34 H new ATOM 0 HD12 LEU A 22 2.076 10.249 0.225 1.00 0.34 H new ATOM 0 HD13 LEU A 22 1.078 8.830 -0.172 1.00 0.34 H new ATOM 0 HD21 LEU A 22 0.494 8.074 2.755 1.00 0.32 H new ATOM 0 HD22 LEU A 22 0.995 6.888 1.526 1.00 0.32 H new ATOM 0 HD23 LEU A 22 1.924 7.052 3.035 1.00 0.32 H new ATOM 366 N ARG A 23 6.146 7.631 -0.545 1.00 0.20 N ATOM 367 CA ARG A 23 7.340 6.855 -0.834 1.00 0.19 C ATOM 368 C ARG A 23 8.569 7.753 -0.742 1.00 0.19 C ATOM 369 O ARG A 23 9.699 7.288 -0.733 1.00 0.20 O ATOM 370 CB ARG A 23 7.220 6.140 -2.195 1.00 0.21 C ATOM 371 CG ARG A 23 7.192 7.033 -3.431 1.00 0.28 C ATOM 372 CD ARG A 23 8.594 7.425 -3.873 1.00 0.31 C ATOM 373 NE ARG A 23 8.683 7.666 -5.314 1.00 0.70 N ATOM 374 CZ ARG A 23 9.754 8.194 -5.908 1.00 0.89 C ATOM 375 NH1 ARG A 23 10.795 8.580 -5.177 1.00 0.91 N ATOM 376 NH2 ARG A 23 9.793 8.321 -7.229 1.00 1.38 N ATOM 0 H ARG A 23 5.543 7.812 -1.347 1.00 0.20 H new ATOM 0 HA ARG A 23 7.452 6.067 -0.089 1.00 0.19 H new ATOM 0 HB2 ARG A 23 8.057 5.448 -2.292 1.00 0.21 H new ATOM 0 HB3 ARG A 23 6.310 5.540 -2.186 1.00 0.21 H new ATOM 0 HG2 ARG A 23 6.686 6.513 -4.244 1.00 0.28 H new ATOM 0 HG3 ARG A 23 6.613 7.932 -3.218 1.00 0.28 H new ATOM 0 HD2 ARG A 23 8.902 8.324 -3.338 1.00 0.31 H new ATOM 0 HD3 ARG A 23 9.292 6.635 -3.597 1.00 0.31 H new ATOM 0 HE ARG A 23 7.883 7.417 -5.895 1.00 0.70 H new ATOM 0 HH11 ARG A 23 10.774 8.472 -4.163 1.00 0.91 H new ATOM 0 HH12 ARG A 23 11.615 8.984 -5.630 1.00 0.91 H new ATOM 0 HH21 ARG A 23 9.001 8.014 -7.794 1.00 1.38 H new ATOM 0 HH22 ARG A 23 10.614 8.725 -7.678 1.00 1.38 H new ATOM 390 N ARG A 24 8.313 9.047 -0.654 1.00 0.22 N ATOM 391 CA ARG A 24 9.334 10.041 -0.377 1.00 0.25 C ATOM 392 C ARG A 24 9.582 10.088 1.121 1.00 0.26 C ATOM 393 O ARG A 24 10.692 10.355 1.578 1.00 0.30 O ATOM 394 CB ARG A 24 8.841 11.386 -0.901 1.00 0.32 C ATOM 395 CG ARG A 24 9.737 12.578 -0.631 1.00 0.35 C ATOM 396 CD ARG A 24 9.495 13.169 0.747 1.00 0.69 C ATOM 397 NE ARG A 24 9.662 14.619 0.754 1.00 0.77 N ATOM 398 CZ ARG A 24 9.941 15.341 1.835 1.00 1.12 C ATOM 399 NH1 ARG A 24 10.253 14.749 2.982 1.00 1.94 N ATOM 400 NH2 ARG A 24 9.949 16.664 1.754 1.00 1.19 N ATOM 0 H ARG A 24 7.380 9.441 -0.774 1.00 0.22 H new ATOM 0 HA ARG A 24 10.274 9.793 -0.869 1.00 0.25 H new ATOM 0 HB2 ARG A 24 8.697 11.302 -1.978 1.00 0.32 H new ATOM 0 HB3 ARG A 24 7.863 11.586 -0.464 1.00 0.32 H new ATOM 0 HG2 ARG A 24 10.780 12.275 -0.718 1.00 0.35 H new ATOM 0 HG3 ARG A 24 9.563 13.342 -1.389 1.00 0.35 H new ATOM 0 HD2 ARG A 24 8.487 12.918 1.078 1.00 0.69 H new ATOM 0 HD3 ARG A 24 10.186 12.720 1.461 1.00 0.69 H new ATOM 0 HE ARG A 24 9.557 15.113 -0.132 1.00 0.77 H new ATOM 0 HH11 ARG A 24 10.280 13.731 3.040 1.00 1.94 H new ATOM 0 HH12 ARG A 24 10.465 15.312 3.805 1.00 1.94 H new ATOM 0 HH21 ARG A 24 9.742 17.122 0.866 1.00 1.19 H new ATOM 0 HH22 ARG A 24 10.162 17.224 2.579 1.00 1.19 H new ATOM 414 N THR A 25 8.533 9.795 1.879 1.00 0.28 N ATOM 415 CA THR A 25 8.609 9.778 3.324 1.00 0.34 C ATOM 416 C THR A 25 9.502 8.634 3.781 1.00 0.32 C ATOM 417 O THR A 25 10.331 8.787 4.680 1.00 0.36 O ATOM 418 CB THR A 25 7.208 9.639 3.947 1.00 0.39 C ATOM 419 OG1 THR A 25 6.369 10.719 3.506 1.00 0.43 O ATOM 420 CG2 THR A 25 7.288 9.636 5.462 1.00 0.48 C ATOM 0 H THR A 25 7.612 9.564 1.506 1.00 0.28 H new ATOM 0 HA THR A 25 9.037 10.723 3.658 1.00 0.34 H new ATOM 0 HB THR A 25 6.780 8.690 3.623 1.00 0.39 H new ATOM 0 HG1 THR A 25 6.321 10.717 2.527 1.00 0.43 H new ATOM 0 HG21 THR A 25 6.286 9.537 5.879 1.00 0.48 H new ATOM 0 HG22 THR A 25 7.903 8.799 5.792 1.00 0.48 H new ATOM 0 HG23 THR A 25 7.733 10.570 5.805 1.00 0.48 H new ATOM 428 N LEU A 26 9.343 7.490 3.135 1.00 0.29 N ATOM 429 CA LEU A 26 10.190 6.341 3.422 1.00 0.32 C ATOM 430 C LEU A 26 11.462 6.407 2.586 1.00 0.30 C ATOM 431 O LEU A 26 12.413 5.660 2.815 1.00 0.38 O ATOM 432 CB LEU A 26 9.457 5.028 3.152 1.00 0.38 C ATOM 433 CG LEU A 26 8.095 4.861 3.836 1.00 0.47 C ATOM 434 CD1 LEU A 26 8.092 5.477 5.227 1.00 0.58 C ATOM 435 CD2 LEU A 26 6.982 5.435 2.990 1.00 0.56 C ATOM 0 H LEU A 26 8.640 7.331 2.413 1.00 0.29 H new ATOM 0 HA LEU A 26 10.450 6.372 4.480 1.00 0.32 H new ATOM 0 HB2 LEU A 26 9.314 4.930 2.076 1.00 0.38 H new ATOM 0 HB3 LEU A 26 10.101 4.206 3.464 1.00 0.38 H new ATOM 0 HG LEU A 26 7.916 3.791 3.946 1.00 0.47 H new ATOM 0 HD11 LEU A 26 7.111 5.341 5.683 1.00 0.58 H new ATOM 0 HD12 LEU A 26 8.849 4.991 5.842 1.00 0.58 H new ATOM 0 HD13 LEU A 26 8.313 6.542 5.154 1.00 0.58 H new ATOM 0 HD21 LEU A 26 6.029 5.301 3.502 1.00 0.56 H new ATOM 0 HD22 LEU A 26 7.160 6.498 2.827 1.00 0.56 H new ATOM 0 HD23 LEU A 26 6.953 4.921 2.029 1.00 0.56 H new ATOM 447 N GLY A 27 11.459 7.309 1.612 1.00 0.24 N ATOM 448 CA GLY A 27 12.612 7.507 0.752 1.00 0.26 C ATOM 449 C GLY A 27 12.844 6.346 -0.195 1.00 0.30 C ATOM 450 O GLY A 27 13.958 6.135 -0.675 1.00 0.42 O ATOM 0 H GLY A 27 10.667 7.915 1.400 1.00 0.24 H new ATOM 0 HA2 GLY A 27 12.475 8.420 0.173 1.00 0.26 H new ATOM 0 HA3 GLY A 27 13.499 7.650 1.369 1.00 0.26 H new ATOM 454 N ILE A 28 11.788 5.594 -0.457 1.00 0.28 N ATOM 455 CA ILE A 28 11.831 4.511 -1.422 1.00 0.32 C ATOM 456 C ILE A 28 11.501 5.045 -2.815 1.00 0.26 C ATOM 457 O ILE A 28 11.627 6.244 -3.079 1.00 0.29 O ATOM 458 CB ILE A 28 10.835 3.398 -1.050 1.00 0.38 C ATOM 459 CG1 ILE A 28 9.404 3.901 -1.179 1.00 0.41 C ATOM 460 CG2 ILE A 28 11.103 2.901 0.360 1.00 0.70 C ATOM 461 CD1 ILE A 28 8.378 2.811 -1.031 1.00 0.49 C ATOM 0 H ILE A 28 10.880 5.717 -0.008 1.00 0.28 H new ATOM 0 HA ILE A 28 12.837 4.091 -1.416 1.00 0.32 H new ATOM 0 HB ILE A 28 10.969 2.565 -1.740 1.00 0.38 H new ATOM 0 HG12 ILE A 28 9.225 4.665 -0.423 1.00 0.41 H new ATOM 0 HG13 ILE A 28 9.280 4.379 -2.151 1.00 0.41 H new ATOM 0 HG21 ILE A 28 10.391 2.114 0.610 1.00 0.70 H new ATOM 0 HG22 ILE A 28 12.117 2.506 0.420 1.00 0.70 H new ATOM 0 HG23 ILE A 28 10.993 3.726 1.064 1.00 0.70 H new ATOM 0 HD11 ILE A 28 7.379 3.235 -1.133 1.00 0.49 H new ATOM 0 HD12 ILE A 28 8.533 2.058 -1.804 1.00 0.49 H new ATOM 0 HD13 ILE A 28 8.477 2.349 -0.049 1.00 0.49 H new ATOM 473 N ALA A 29 11.058 4.164 -3.691 1.00 0.23 N ATOM 474 CA ALA A 29 10.731 4.539 -5.052 1.00 0.25 C ATOM 475 C ALA A 29 9.847 3.487 -5.677 1.00 0.25 C ATOM 476 O ALA A 29 9.449 2.533 -5.015 1.00 0.28 O ATOM 477 CB ALA A 29 11.999 4.730 -5.873 1.00 0.31 C ATOM 0 H ALA A 29 10.916 3.176 -3.481 1.00 0.23 H new ATOM 0 HA ALA A 29 10.192 5.486 -5.036 1.00 0.25 H new ATOM 0 HB1 ALA A 29 11.734 5.011 -6.892 1.00 0.31 H new ATOM 0 HB2 ALA A 29 12.607 5.517 -5.426 1.00 0.31 H new ATOM 0 HB3 ALA A 29 12.566 3.799 -5.889 1.00 0.31 H new ATOM 483 N GLU A 30 9.558 3.653 -6.951 1.00 0.24 N ATOM 484 CA GLU A 30 8.661 2.765 -7.655 1.00 0.26 C ATOM 485 C GLU A 30 9.394 1.496 -8.050 1.00 0.24 C ATOM 486 O GLU A 30 8.817 0.415 -8.142 1.00 0.26 O ATOM 487 CB GLU A 30 8.087 3.487 -8.875 1.00 0.35 C ATOM 488 CG GLU A 30 9.142 4.188 -9.723 1.00 0.44 C ATOM 489 CD GLU A 30 9.588 5.519 -9.151 1.00 1.17 C ATOM 490 OE1 GLU A 30 8.788 6.476 -9.152 1.00 1.68 O ATOM 491 OE2 GLU A 30 10.744 5.600 -8.683 1.00 2.00 O ATOM 0 H GLU A 30 9.938 4.406 -7.525 1.00 0.24 H new ATOM 0 HA GLU A 30 7.833 2.480 -7.006 1.00 0.26 H new ATOM 0 HB2 GLU A 30 7.554 2.766 -9.496 1.00 0.35 H new ATOM 0 HB3 GLU A 30 7.355 4.222 -8.540 1.00 0.35 H new ATOM 0 HG2 GLU A 30 10.009 3.535 -9.823 1.00 0.44 H new ATOM 0 HG3 GLU A 30 8.745 4.347 -10.726 1.00 0.44 H new ATOM 498 N LYS A 31 10.688 1.633 -8.234 1.00 0.25 N ATOM 499 CA LYS A 31 11.536 0.510 -8.575 1.00 0.25 C ATOM 500 C LYS A 31 11.860 -0.287 -7.321 1.00 0.23 C ATOM 501 O LYS A 31 12.540 -1.312 -7.378 1.00 0.28 O ATOM 502 CB LYS A 31 12.819 1.021 -9.217 1.00 0.30 C ATOM 503 CG LYS A 31 12.589 2.171 -10.185 1.00 0.41 C ATOM 504 CD LYS A 31 12.275 1.701 -11.597 1.00 0.50 C ATOM 505 CE LYS A 31 10.863 1.158 -11.723 1.00 0.44 C ATOM 506 NZ LYS A 31 10.522 0.850 -13.136 1.00 0.67 N ATOM 0 H LYS A 31 11.182 2.522 -8.152 1.00 0.25 H new ATOM 0 HA LYS A 31 11.017 -0.139 -9.281 1.00 0.25 H new ATOM 0 HB2 LYS A 31 13.505 1.345 -8.434 1.00 0.30 H new ATOM 0 HB3 LYS A 31 13.304 0.201 -9.746 1.00 0.30 H new ATOM 0 HG2 LYS A 31 11.767 2.787 -9.821 1.00 0.41 H new ATOM 0 HG3 LYS A 31 13.476 2.804 -10.207 1.00 0.41 H new ATOM 0 HD2 LYS A 31 12.406 2.531 -12.291 1.00 0.50 H new ATOM 0 HD3 LYS A 31 12.986 0.928 -11.887 1.00 0.50 H new ATOM 0 HE2 LYS A 31 10.764 0.256 -11.119 1.00 0.44 H new ATOM 0 HE3 LYS A 31 10.155 1.886 -11.327 1.00 0.44 H new ATOM 0 HZ1 LYS A 31 9.721 0.187 -13.163 1.00 0.67 H new ATOM 0 HZ2 LYS A 31 10.262 1.728 -13.630 1.00 0.67 H new ATOM 0 HZ3 LYS A 31 11.344 0.419 -13.606 1.00 0.67 H new ATOM 520 N ASP A 32 11.367 0.193 -6.183 1.00 0.20 N ATOM 521 CA ASP A 32 11.619 -0.461 -4.915 1.00 0.19 C ATOM 522 C ASP A 32 10.626 -1.590 -4.706 1.00 0.18 C ATOM 523 O ASP A 32 9.736 -1.818 -5.532 1.00 0.25 O ATOM 524 CB ASP A 32 11.529 0.530 -3.749 1.00 0.20 C ATOM 525 CG ASP A 32 12.572 0.269 -2.671 1.00 0.64 C ATOM 526 OD1 ASP A 32 12.613 -0.857 -2.127 1.00 1.00 O ATOM 527 OD2 ASP A 32 13.350 1.198 -2.360 1.00 1.65 O ATOM 0 H ASP A 32 10.791 1.033 -6.119 1.00 0.20 H new ATOM 0 HA ASP A 32 12.631 -0.865 -4.941 1.00 0.19 H new ATOM 0 HB2 ASP A 32 11.652 1.544 -4.130 1.00 0.20 H new ATOM 0 HB3 ASP A 32 10.534 0.474 -3.307 1.00 0.20 H new ATOM 532 N ALA A 33 10.790 -2.296 -3.608 1.00 0.16 N ATOM 533 CA ALA A 33 9.877 -3.349 -3.226 1.00 0.15 C ATOM 534 C ALA A 33 9.361 -3.035 -1.840 1.00 0.17 C ATOM 535 O ALA A 33 10.104 -2.545 -0.988 1.00 0.26 O ATOM 536 CB ALA A 33 10.563 -4.712 -3.255 1.00 0.18 C ATOM 0 H ALA A 33 11.561 -2.155 -2.955 1.00 0.16 H new ATOM 0 HA ALA A 33 9.050 -3.397 -3.934 1.00 0.15 H new ATOM 0 HB1 ALA A 33 9.851 -5.484 -2.963 1.00 0.18 H new ATOM 0 HB2 ALA A 33 10.926 -4.915 -4.263 1.00 0.18 H new ATOM 0 HB3 ALA A 33 11.403 -4.711 -2.560 1.00 0.18 H new ATOM 542 N LEU A 34 8.104 -3.294 -1.613 1.00 0.14 N ATOM 543 CA LEU A 34 7.495 -2.976 -0.352 1.00 0.14 C ATOM 544 C LEU A 34 7.018 -4.236 0.295 1.00 0.13 C ATOM 545 O LEU A 34 6.304 -5.019 -0.313 1.00 0.13 O ATOM 546 CB LEU A 34 6.338 -2.006 -0.532 1.00 0.15 C ATOM 547 CG LEU A 34 6.755 -0.557 -0.779 1.00 0.15 C ATOM 548 CD1 LEU A 34 5.563 0.273 -1.227 1.00 0.22 C ATOM 549 CD2 LEU A 34 7.358 0.026 0.489 1.00 0.27 C ATOM 0 H LEU A 34 7.477 -3.728 -2.290 1.00 0.14 H new ATOM 0 HA LEU A 34 8.236 -2.494 0.285 1.00 0.14 H new ATOM 0 HB2 LEU A 34 5.726 -2.342 -1.369 1.00 0.15 H new ATOM 0 HB3 LEU A 34 5.709 -2.043 0.357 1.00 0.15 H new ATOM 0 HG LEU A 34 7.502 -0.536 -1.572 1.00 0.15 H new ATOM 0 HD11 LEU A 34 5.880 1.302 -1.398 1.00 0.22 H new ATOM 0 HD12 LEU A 34 5.158 -0.140 -2.151 1.00 0.22 H new ATOM 0 HD13 LEU A 34 4.795 0.254 -0.454 1.00 0.22 H new ATOM 0 HD21 LEU A 34 7.654 1.059 0.309 1.00 0.27 H new ATOM 0 HD22 LEU A 34 6.620 -0.006 1.291 1.00 0.27 H new ATOM 0 HD23 LEU A 34 8.233 -0.557 0.777 1.00 0.27 H new ATOM 561 N GLU A 35 7.418 -4.426 1.517 1.00 0.15 N ATOM 562 CA GLU A 35 7.089 -5.611 2.242 1.00 0.15 C ATOM 563 C GLU A 35 5.777 -5.373 2.951 1.00 0.13 C ATOM 564 O GLU A 35 5.711 -4.694 3.978 1.00 0.14 O ATOM 565 CB GLU A 35 8.212 -5.949 3.210 1.00 0.21 C ATOM 566 CG GLU A 35 8.219 -7.398 3.624 1.00 0.27 C ATOM 567 CD GLU A 35 9.505 -7.788 4.322 1.00 0.42 C ATOM 568 OE1 GLU A 35 10.510 -8.048 3.630 1.00 1.06 O ATOM 569 OE2 GLU A 35 9.519 -7.835 5.569 1.00 1.11 O ATOM 0 H GLU A 35 7.985 -3.758 2.039 1.00 0.15 H new ATOM 0 HA GLU A 35 6.977 -6.465 1.574 1.00 0.15 H new ATOM 0 HB2 GLU A 35 9.168 -5.705 2.747 1.00 0.21 H new ATOM 0 HB3 GLU A 35 8.119 -5.324 4.098 1.00 0.21 H new ATOM 0 HG2 GLU A 35 7.375 -7.588 4.288 1.00 0.27 H new ATOM 0 HG3 GLU A 35 8.080 -8.026 2.744 1.00 0.27 H new ATOM 576 N ILE A 36 4.729 -5.876 2.342 1.00 0.11 N ATOM 577 CA ILE A 36 3.384 -5.603 2.796 1.00 0.10 C ATOM 578 C ILE A 36 2.904 -6.618 3.832 1.00 0.10 C ATOM 579 O ILE A 36 3.070 -7.832 3.686 1.00 0.11 O ATOM 580 CB ILE A 36 2.402 -5.577 1.615 1.00 0.10 C ATOM 581 CG1 ILE A 36 2.755 -4.451 0.647 1.00 0.12 C ATOM 582 CG2 ILE A 36 0.974 -5.432 2.111 1.00 0.11 C ATOM 583 CD1 ILE A 36 3.304 -4.948 -0.669 1.00 0.11 C ATOM 0 H ILE A 36 4.783 -6.482 1.523 1.00 0.11 H new ATOM 0 HA ILE A 36 3.411 -4.622 3.271 1.00 0.10 H new ATOM 0 HB ILE A 36 2.483 -6.523 1.080 1.00 0.10 H new ATOM 0 HG12 ILE A 36 1.865 -3.850 0.458 1.00 0.12 H new ATOM 0 HG13 ILE A 36 3.489 -3.795 1.115 1.00 0.12 H new ATOM 0 HG21 ILE A 36 0.293 -5.416 1.260 1.00 0.11 H new ATOM 0 HG22 ILE A 36 0.726 -6.274 2.758 1.00 0.11 H new ATOM 0 HG23 ILE A 36 0.876 -4.503 2.672 1.00 0.11 H new ATOM 0 HD11 ILE A 36 3.535 -4.098 -1.311 1.00 0.11 H new ATOM 0 HD12 ILE A 36 4.212 -5.525 -0.490 1.00 0.11 H new ATOM 0 HD13 ILE A 36 2.563 -5.581 -1.157 1.00 0.11 H new ATOM 595 N TYR A 37 2.293 -6.083 4.868 1.00 0.11 N ATOM 596 CA TYR A 37 1.707 -6.851 5.949 1.00 0.14 C ATOM 597 C TYR A 37 0.280 -6.364 6.137 1.00 0.14 C ATOM 598 O TYR A 37 -0.180 -5.510 5.387 1.00 0.13 O ATOM 599 CB TYR A 37 2.465 -6.648 7.266 1.00 0.20 C ATOM 600 CG TYR A 37 3.972 -6.550 7.161 1.00 0.40 C ATOM 601 CD1 TYR A 37 4.770 -7.687 7.152 1.00 1.18 C ATOM 602 CD2 TYR A 37 4.596 -5.309 7.109 1.00 1.39 C ATOM 603 CE1 TYR A 37 6.147 -7.589 7.089 1.00 1.25 C ATOM 604 CE2 TYR A 37 5.970 -5.205 7.055 1.00 1.54 C ATOM 605 CZ TYR A 37 6.740 -6.344 7.042 1.00 0.87 C ATOM 606 OH TYR A 37 8.110 -6.236 7.006 1.00 1.11 O ATOM 0 H TYR A 37 2.187 -5.075 4.986 1.00 0.11 H new ATOM 0 HA TYR A 37 1.751 -7.910 5.693 1.00 0.14 H new ATOM 0 HB2 TYR A 37 2.094 -5.738 7.738 1.00 0.20 H new ATOM 0 HB3 TYR A 37 2.221 -7.475 7.933 1.00 0.20 H new ATOM 0 HD1 TYR A 37 4.307 -8.662 7.195 1.00 1.18 H new ATOM 0 HD2 TYR A 37 3.995 -4.412 7.111 1.00 1.39 H new ATOM 0 HE1 TYR A 37 6.755 -8.481 7.077 1.00 1.25 H new ATOM 0 HE2 TYR A 37 6.439 -4.233 7.023 1.00 1.54 H new ATOM 0 HH TYR A 37 8.493 -7.055 6.628 1.00 1.11 H new ATOM 616 N VAL A 38 -0.418 -6.925 7.103 1.00 0.16 N ATOM 617 CA VAL A 38 -1.736 -6.443 7.496 1.00 0.17 C ATOM 618 C VAL A 38 -1.945 -6.681 8.980 1.00 0.20 C ATOM 619 O VAL A 38 -1.607 -7.742 9.498 1.00 0.26 O ATOM 620 CB VAL A 38 -2.884 -7.112 6.695 1.00 0.18 C ATOM 621 CG1 VAL A 38 -4.209 -7.052 7.451 1.00 0.21 C ATOM 622 CG2 VAL A 38 -3.045 -6.473 5.329 1.00 0.21 C ATOM 0 H VAL A 38 -0.092 -7.728 7.641 1.00 0.16 H new ATOM 0 HA VAL A 38 -1.767 -5.376 7.273 1.00 0.17 H new ATOM 0 HB VAL A 38 -2.609 -8.159 6.565 1.00 0.18 H new ATOM 0 HG11 VAL A 38 -4.988 -7.531 6.858 1.00 0.21 H new ATOM 0 HG12 VAL A 38 -4.108 -7.571 8.404 1.00 0.21 H new ATOM 0 HG13 VAL A 38 -4.478 -6.011 7.632 1.00 0.21 H new ATOM 0 HG21 VAL A 38 -3.857 -6.963 4.791 1.00 0.21 H new ATOM 0 HG22 VAL A 38 -3.275 -5.414 5.447 1.00 0.21 H new ATOM 0 HG23 VAL A 38 -2.119 -6.582 4.765 1.00 0.21 H new ATOM 632 N ASP A 39 -2.494 -5.695 9.653 1.00 0.20 N ATOM 633 CA ASP A 39 -2.791 -5.810 11.064 1.00 0.23 C ATOM 634 C ASP A 39 -4.285 -5.729 11.272 1.00 0.28 C ATOM 635 O ASP A 39 -4.901 -4.709 10.964 1.00 0.35 O ATOM 636 CB ASP A 39 -2.084 -4.727 11.883 1.00 0.37 C ATOM 637 CG ASP A 39 -0.611 -5.018 12.104 1.00 0.98 C ATOM 638 OD1 ASP A 39 -0.231 -6.209 12.154 1.00 1.60 O ATOM 639 OD2 ASP A 39 0.177 -4.056 12.243 1.00 1.74 O ATOM 0 H ASP A 39 -2.746 -4.796 9.242 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.422 -6.775 11.412 1.00 0.23 H new ATOM 0 HB2 ASP A 39 -2.187 -3.769 11.374 1.00 0.37 H new ATOM 0 HB3 ASP A 39 -2.578 -4.629 12.849 1.00 0.37 H new ATOM 644 N ASP A 40 -4.851 -6.820 11.783 1.00 0.42 N ATOM 645 CA ASP A 40 -6.292 -6.964 11.978 1.00 0.57 C ATOM 646 C ASP A 40 -7.037 -6.861 10.659 1.00 0.48 C ATOM 647 O ASP A 40 -7.421 -7.867 10.060 1.00 0.58 O ATOM 648 CB ASP A 40 -6.846 -5.904 12.941 1.00 0.73 C ATOM 649 CG ASP A 40 -6.073 -5.809 14.241 1.00 1.26 C ATOM 650 OD1 ASP A 40 -6.126 -6.764 15.046 1.00 1.73 O ATOM 651 OD2 ASP A 40 -5.408 -4.774 14.462 1.00 2.01 O ATOM 0 H ASP A 40 -4.317 -7.638 12.076 1.00 0.42 H new ATOM 0 HA ASP A 40 -6.447 -7.952 12.411 1.00 0.57 H new ATOM 0 HB2 ASP A 40 -6.832 -4.932 12.447 1.00 0.73 H new ATOM 0 HB3 ASP A 40 -7.888 -6.134 13.163 1.00 0.73 H new ATOM 656 N GLU A 41 -7.218 -5.632 10.210 1.00 0.41 N ATOM 657 CA GLU A 41 -8.004 -5.346 9.033 1.00 0.45 C ATOM 658 C GLU A 41 -7.373 -4.230 8.203 1.00 0.37 C ATOM 659 O GLU A 41 -8.050 -3.594 7.395 1.00 0.44 O ATOM 660 CB GLU A 41 -9.418 -4.956 9.453 1.00 0.65 C ATOM 661 CG GLU A 41 -9.453 -3.846 10.489 1.00 0.76 C ATOM 662 CD GLU A 41 -10.862 -3.471 10.889 1.00 1.05 C ATOM 663 OE1 GLU A 41 -11.501 -2.684 10.161 1.00 1.67 O ATOM 664 OE2 GLU A 41 -11.336 -3.963 11.934 1.00 1.40 O ATOM 0 H GLU A 41 -6.821 -4.805 10.656 1.00 0.41 H new ATOM 0 HA GLU A 41 -8.039 -6.241 8.412 1.00 0.45 H new ATOM 0 HB2 GLU A 41 -9.977 -4.639 8.572 1.00 0.65 H new ATOM 0 HB3 GLU A 41 -9.925 -5.834 9.854 1.00 0.65 H new ATOM 0 HG2 GLU A 41 -8.900 -4.161 11.373 1.00 0.76 H new ATOM 0 HG3 GLU A 41 -8.945 -2.967 10.092 1.00 0.76 H new ATOM 671 N LYS A 42 -6.077 -3.991 8.389 1.00 0.27 N ATOM 672 CA LYS A 42 -5.420 -2.926 7.654 1.00 0.25 C ATOM 673 C LYS A 42 -4.076 -3.338 7.096 1.00 0.19 C ATOM 674 O LYS A 42 -3.391 -4.175 7.655 1.00 0.19 O ATOM 675 CB LYS A 42 -5.266 -1.699 8.546 1.00 0.30 C ATOM 676 CG LYS A 42 -4.180 -1.847 9.598 1.00 0.32 C ATOM 677 CD LYS A 42 -4.097 -0.634 10.504 1.00 0.50 C ATOM 678 CE LYS A 42 -2.854 -0.694 11.373 1.00 0.40 C ATOM 679 NZ LYS A 42 -2.827 0.384 12.393 1.00 0.75 N ATOM 0 H LYS A 42 -5.476 -4.510 9.029 1.00 0.27 H new ATOM 0 HA LYS A 42 -6.054 -2.688 6.800 1.00 0.25 H new ATOM 0 HB2 LYS A 42 -5.042 -0.833 7.923 1.00 0.30 H new ATOM 0 HB3 LYS A 42 -6.216 -1.498 9.042 1.00 0.30 H new ATOM 0 HG2 LYS A 42 -4.376 -2.735 10.199 1.00 0.32 H new ATOM 0 HG3 LYS A 42 -3.219 -2.000 9.108 1.00 0.32 H new ATOM 0 HD2 LYS A 42 -4.082 0.275 9.902 1.00 0.50 H new ATOM 0 HD3 LYS A 42 -4.985 -0.584 11.134 1.00 0.50 H new ATOM 0 HE2 LYS A 42 -2.808 -1.663 11.870 1.00 0.40 H new ATOM 0 HE3 LYS A 42 -1.968 -0.617 10.742 1.00 0.40 H new ATOM 0 HZ1 LYS A 42 -1.960 0.302 12.962 1.00 0.75 H new ATOM 0 HZ2 LYS A 42 -2.844 1.310 11.920 1.00 0.75 H new ATOM 0 HZ3 LYS A 42 -3.657 0.296 13.013 1.00 0.75 H new ATOM 693 N ILE A 43 -3.708 -2.693 6.005 1.00 0.15 N ATOM 694 CA ILE A 43 -2.528 -3.039 5.232 1.00 0.12 C ATOM 695 C ILE A 43 -1.319 -2.232 5.700 1.00 0.11 C ATOM 696 O ILE A 43 -1.438 -1.049 6.002 1.00 0.12 O ATOM 697 CB ILE A 43 -2.798 -2.756 3.744 1.00 0.10 C ATOM 698 CG1 ILE A 43 -4.118 -3.404 3.322 1.00 0.14 C ATOM 699 CG2 ILE A 43 -1.663 -3.262 2.880 1.00 0.10 C ATOM 700 CD1 ILE A 43 -4.610 -2.963 1.962 1.00 0.16 C ATOM 0 H ILE A 43 -4.228 -1.902 5.624 1.00 0.15 H new ATOM 0 HA ILE A 43 -2.310 -4.097 5.375 1.00 0.12 H new ATOM 0 HB ILE A 43 -2.870 -1.677 3.606 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -3.995 -4.487 3.319 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -4.880 -3.171 4.066 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.880 -3.049 1.833 1.00 0.10 H new ATOM 0 HG22 ILE A 43 -0.737 -2.764 3.167 1.00 0.10 H new ATOM 0 HG23 ILE A 43 -1.554 -4.338 3.016 1.00 0.10 H new ATOM 0 HD11 ILE A 43 -5.550 -3.466 1.734 1.00 0.16 H new ATOM 0 HD12 ILE A 43 -4.767 -1.884 1.964 1.00 0.16 H new ATOM 0 HD13 ILE A 43 -3.868 -3.220 1.206 1.00 0.16 H new ATOM 712 N ILE A 44 -0.167 -2.878 5.772 1.00 0.12 N ATOM 713 CA ILE A 44 1.044 -2.246 6.290 1.00 0.12 C ATOM 714 C ILE A 44 2.176 -2.379 5.280 1.00 0.11 C ATOM 715 O ILE A 44 2.732 -3.456 5.105 1.00 0.11 O ATOM 716 CB ILE A 44 1.533 -2.874 7.624 1.00 0.15 C ATOM 717 CG1 ILE A 44 0.443 -3.722 8.299 1.00 0.16 C ATOM 718 CG2 ILE A 44 2.022 -1.783 8.571 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.730 -2.939 8.842 1.00 0.18 C ATOM 0 H ILE A 44 -0.041 -3.846 5.477 1.00 0.12 H new ATOM 0 HA ILE A 44 0.785 -1.202 6.470 1.00 0.12 H new ATOM 0 HB ILE A 44 2.361 -3.542 7.387 1.00 0.15 H new ATOM 0 HG12 ILE A 44 0.072 -4.450 7.578 1.00 0.16 H new ATOM 0 HG13 ILE A 44 0.895 -4.284 9.116 1.00 0.16 H new ATOM 0 HG21 ILE A 44 2.362 -2.235 9.503 1.00 0.19 H new ATOM 0 HG22 ILE A 44 2.847 -1.242 8.108 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.207 -1.091 8.780 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.445 -3.624 9.298 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.378 -2.229 9.591 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -1.214 -2.398 8.029 1.00 0.18 H new ATOM 731 N LEU A 45 2.512 -1.296 4.610 1.00 0.11 N ATOM 732 CA LEU A 45 3.589 -1.316 3.639 1.00 0.10 C ATOM 733 C LEU A 45 4.877 -0.801 4.261 1.00 0.11 C ATOM 734 O LEU A 45 5.002 0.383 4.560 1.00 0.13 O ATOM 735 CB LEU A 45 3.236 -0.465 2.414 1.00 0.10 C ATOM 736 CG LEU A 45 2.374 -1.146 1.347 1.00 0.09 C ATOM 737 CD1 LEU A 45 1.002 -1.495 1.896 1.00 0.09 C ATOM 738 CD2 LEU A 45 2.240 -0.252 0.125 1.00 0.10 C ATOM 0 H LEU A 45 2.056 -0.390 4.719 1.00 0.11 H new ATOM 0 HA LEU A 45 3.732 -2.349 3.321 1.00 0.10 H new ATOM 0 HB2 LEU A 45 2.716 0.430 2.756 1.00 0.10 H new ATOM 0 HB3 LEU A 45 4.164 -0.135 1.946 1.00 0.10 H new ATOM 0 HG LEU A 45 2.869 -2.072 1.054 1.00 0.09 H new ATOM 0 HD11 LEU A 45 0.411 -1.977 1.118 1.00 0.09 H new ATOM 0 HD12 LEU A 45 1.111 -2.173 2.742 1.00 0.09 H new ATOM 0 HD13 LEU A 45 0.499 -0.585 2.223 1.00 0.09 H new ATOM 0 HD21 LEU A 45 1.625 -0.750 -0.624 1.00 0.10 H new ATOM 0 HD22 LEU A 45 1.771 0.689 0.412 1.00 0.10 H new ATOM 0 HD23 LEU A 45 3.228 -0.053 -0.291 1.00 0.10 H new ATOM 750 N LYS A 46 5.826 -1.687 4.474 1.00 0.12 N ATOM 751 CA LYS A 46 7.145 -1.287 4.940 1.00 0.14 C ATOM 752 C LYS A 46 8.173 -1.711 3.909 1.00 0.19 C ATOM 753 O LYS A 46 8.139 -2.842 3.459 1.00 0.45 O ATOM 754 CB LYS A 46 7.458 -1.906 6.305 1.00 0.29 C ATOM 755 CG LYS A 46 8.904 -1.728 6.739 1.00 0.89 C ATOM 756 CD LYS A 46 9.110 -2.144 8.182 1.00 0.95 C ATOM 757 CE LYS A 46 8.599 -1.083 9.138 1.00 1.75 C ATOM 758 NZ LYS A 46 8.776 -1.482 10.557 1.00 2.11 N ATOM 0 H LYS A 46 5.713 -2.691 4.333 1.00 0.12 H new ATOM 0 HA LYS A 46 7.172 -0.204 5.063 1.00 0.14 H new ATOM 0 HB2 LYS A 46 6.805 -1.459 7.055 1.00 0.29 H new ATOM 0 HB3 LYS A 46 7.226 -2.970 6.273 1.00 0.29 H new ATOM 0 HG2 LYS A 46 9.553 -2.319 6.093 1.00 0.89 H new ATOM 0 HG3 LYS A 46 9.196 -0.685 6.615 1.00 0.89 H new ATOM 0 HD2 LYS A 46 8.593 -3.085 8.369 1.00 0.95 H new ATOM 0 HD3 LYS A 46 10.170 -2.321 8.364 1.00 0.95 H new ATOM 0 HE2 LYS A 46 9.126 -0.147 8.956 1.00 1.75 H new ATOM 0 HE3 LYS A 46 7.543 -0.897 8.943 1.00 1.75 H new ATOM 0 HZ1 LYS A 46 9.252 -0.717 11.076 1.00 2.11 H new ATOM 0 HZ2 LYS A 46 7.846 -1.664 10.985 1.00 2.11 H new ATOM 0 HZ3 LYS A 46 9.354 -2.345 10.605 1.00 2.11 H new ATOM 772 N LYS A 47 9.063 -0.802 3.521 1.00 0.19 N ATOM 773 CA LYS A 47 10.005 -1.076 2.437 1.00 0.25 C ATOM 774 C LYS A 47 10.724 -2.403 2.651 1.00 0.24 C ATOM 775 O LYS A 47 11.045 -2.775 3.788 1.00 0.28 O ATOM 776 CB LYS A 47 11.024 0.056 2.272 1.00 0.38 C ATOM 777 CG LYS A 47 12.052 0.171 3.380 1.00 0.48 C ATOM 778 CD LYS A 47 13.441 -0.054 2.821 1.00 0.83 C ATOM 779 CE LYS A 47 13.769 0.989 1.768 1.00 1.57 C ATOM 780 NZ LYS A 47 15.040 0.695 1.055 1.00 2.48 N ATOM 0 H LYS A 47 9.153 0.125 3.937 1.00 0.19 H new ATOM 0 HA LYS A 47 9.421 -1.142 1.519 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.548 -0.084 1.326 1.00 0.38 H new ATOM 0 HB3 LYS A 47 10.484 1.000 2.200 1.00 0.38 H new ATOM 0 HG2 LYS A 47 11.992 1.156 3.842 1.00 0.48 H new ATOM 0 HG3 LYS A 47 11.842 -0.561 4.160 1.00 0.48 H new ATOM 0 HD2 LYS A 47 14.174 -0.009 3.626 1.00 0.83 H new ATOM 0 HD3 LYS A 47 13.506 -1.051 2.386 1.00 0.83 H new ATOM 0 HE2 LYS A 47 12.954 1.041 1.046 1.00 1.57 H new ATOM 0 HE3 LYS A 47 13.839 1.969 2.241 1.00 1.57 H new ATOM 0 HZ1 LYS A 47 15.220 1.435 0.347 1.00 2.48 H new ATOM 0 HZ2 LYS A 47 15.824 0.671 1.738 1.00 2.48 H new ATOM 0 HZ3 LYS A 47 14.967 -0.228 0.581 1.00 2.48 H new ATOM 794 N TYR A 48 10.956 -3.119 1.559 1.00 0.26 N ATOM 795 CA TYR A 48 11.637 -4.395 1.621 1.00 0.33 C ATOM 796 C TYR A 48 13.020 -4.207 2.209 1.00 0.48 C ATOM 797 O TYR A 48 13.648 -3.165 2.021 1.00 0.58 O ATOM 798 CB TYR A 48 11.722 -5.027 0.228 1.00 0.35 C ATOM 799 CG TYR A 48 12.642 -6.228 0.136 1.00 0.88 C ATOM 800 CD1 TYR A 48 12.310 -7.436 0.736 1.00 1.81 C ATOM 801 CD2 TYR A 48 13.849 -6.143 -0.548 1.00 1.68 C ATOM 802 CE1 TYR A 48 13.155 -8.527 0.656 1.00 2.49 C ATOM 803 CE2 TYR A 48 14.699 -7.229 -0.631 1.00 2.32 C ATOM 804 CZ TYR A 48 14.349 -8.418 -0.029 1.00 2.51 C ATOM 805 OH TYR A 48 15.197 -9.499 -0.108 1.00 3.33 O ATOM 0 H TYR A 48 10.680 -2.833 0.620 1.00 0.26 H new ATOM 0 HA TYR A 48 11.070 -5.070 2.263 1.00 0.33 H new ATOM 0 HB2 TYR A 48 10.721 -5.328 -0.082 1.00 0.35 H new ATOM 0 HB3 TYR A 48 12.061 -4.271 -0.480 1.00 0.35 H new ATOM 0 HD1 TYR A 48 11.377 -7.524 1.273 1.00 1.81 H new ATOM 0 HD2 TYR A 48 14.127 -5.213 -1.022 1.00 1.68 H new ATOM 0 HE1 TYR A 48 12.883 -9.460 1.127 1.00 2.49 H new ATOM 0 HE2 TYR A 48 15.634 -7.146 -1.165 1.00 2.32 H new ATOM 0 HH TYR A 48 15.992 -9.254 -0.626 1.00 3.33 H new ATOM 815 N LYS A 49 13.483 -5.220 2.912 1.00 0.58 N ATOM 816 CA LYS A 49 14.755 -5.139 3.601 1.00 0.74 C ATOM 817 C LYS A 49 15.876 -5.051 2.584 1.00 0.75 C ATOM 818 O LYS A 49 16.133 -6.001 1.846 1.00 0.71 O ATOM 819 CB LYS A 49 14.954 -6.359 4.496 1.00 0.86 C ATOM 820 CG LYS A 49 16.005 -6.152 5.576 1.00 1.22 C ATOM 821 CD LYS A 49 15.661 -4.965 6.456 1.00 1.20 C ATOM 822 CE LYS A 49 14.372 -5.209 7.218 1.00 1.45 C ATOM 823 NZ LYS A 49 13.898 -3.988 7.917 1.00 1.88 N ATOM 0 H LYS A 49 12.997 -6.110 3.022 1.00 0.58 H new ATOM 0 HA LYS A 49 14.764 -4.247 4.227 1.00 0.74 H new ATOM 0 HB2 LYS A 49 14.005 -6.613 4.967 1.00 0.86 H new ATOM 0 HB3 LYS A 49 15.241 -7.210 3.879 1.00 0.86 H new ATOM 0 HG2 LYS A 49 16.084 -7.051 6.188 1.00 1.22 H new ATOM 0 HG3 LYS A 49 16.979 -5.995 5.114 1.00 1.22 H new ATOM 0 HD2 LYS A 49 16.474 -4.781 7.159 1.00 1.20 H new ATOM 0 HD3 LYS A 49 15.561 -4.070 5.842 1.00 1.20 H new ATOM 0 HE2 LYS A 49 13.602 -5.553 6.527 1.00 1.45 H new ATOM 0 HE3 LYS A 49 14.526 -6.006 7.945 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 13.015 -4.199 8.425 1.00 1.88 H new ATOM 0 HZ2 LYS A 49 14.621 -3.674 8.595 1.00 1.88 H new ATOM 0 HZ3 LYS A 49 13.725 -3.235 7.221 1.00 1.88 H new ATOM 837 N PRO A 50 16.564 -3.905 2.539 1.00 0.87 N ATOM 838 CA PRO A 50 17.558 -3.620 1.508 1.00 0.96 C ATOM 839 C PRO A 50 18.896 -4.294 1.796 1.00 1.09 C ATOM 840 O PRO A 50 19.937 -3.916 1.254 1.00 1.22 O ATOM 841 CB PRO A 50 17.657 -2.095 1.573 1.00 1.06 C ATOM 842 CG PRO A 50 17.450 -1.785 3.012 1.00 1.13 C ATOM 843 CD PRO A 50 16.439 -2.787 3.502 1.00 0.96 C ATOM 0 HA PRO A 50 17.284 -3.998 0.523 1.00 0.96 H new ATOM 0 HB2 PRO A 50 18.627 -1.742 1.224 1.00 1.06 H new ATOM 0 HB3 PRO A 50 16.901 -1.618 0.949 1.00 1.06 H new ATOM 0 HG2 PRO A 50 18.384 -1.866 3.569 1.00 1.13 H new ATOM 0 HG3 PRO A 50 17.088 -0.766 3.145 1.00 1.13 H new ATOM 0 HD2 PRO A 50 16.655 -3.109 4.521 1.00 0.96 H new ATOM 0 HD3 PRO A 50 15.431 -2.371 3.506 1.00 0.96 H new ATOM 851 N ASN A 51 18.847 -5.308 2.645 1.00 1.12 N ATOM 852 CA ASN A 51 20.009 -6.110 2.963 1.00 1.24 C ATOM 853 C ASN A 51 20.262 -7.114 1.855 1.00 1.21 C ATOM 854 O ASN A 51 19.650 -8.181 1.797 1.00 1.24 O ATOM 855 CB ASN A 51 19.817 -6.818 4.299 1.00 1.40 C ATOM 856 CG ASN A 51 20.969 -7.739 4.668 1.00 1.53 C ATOM 857 OD1 ASN A 51 22.188 -7.356 4.315 1.00 1.65 O flip ATOM 858 ND2 ASN A 51 20.764 -8.781 5.289 1.00 2.14 N flip ATOM 0 H ASN A 51 17.998 -5.595 3.132 1.00 1.12 H new ATOM 0 HA ASN A 51 20.878 -5.457 3.047 1.00 1.24 H new ATOM 0 HB2 ASN A 51 19.694 -6.071 5.083 1.00 1.40 H new ATOM 0 HB3 ASN A 51 18.895 -7.398 4.265 1.00 1.40 H new ATOM 0 HD21 ASN A 51 19.812 -9.044 5.544 1.00 2.14 H new ATOM 0 HD22 ASN A 51 21.546 -9.382 5.549 1.00 2.14 H new ATOM 865 N MET A 52 21.138 -6.726 0.956 1.00 1.38 N ATOM 866 CA MET A 52 21.537 -7.555 -0.158 1.00 1.59 C ATOM 867 C MET A 52 22.970 -7.224 -0.509 1.00 1.88 C ATOM 868 O MET A 52 23.386 -6.069 -0.399 1.00 2.13 O ATOM 869 CB MET A 52 20.614 -7.335 -1.362 1.00 1.89 C ATOM 870 CG MET A 52 20.535 -5.886 -1.822 1.00 2.34 C ATOM 871 SD MET A 52 19.420 -5.661 -3.223 1.00 2.79 S ATOM 872 CE MET A 52 17.868 -6.214 -2.518 1.00 3.15 C ATOM 0 H MET A 52 21.598 -5.816 0.978 1.00 1.38 H new ATOM 0 HA MET A 52 21.459 -8.606 0.119 1.00 1.59 H new ATOM 0 HB2 MET A 52 20.962 -7.951 -2.191 1.00 1.89 H new ATOM 0 HB3 MET A 52 19.612 -7.680 -1.107 1.00 1.89 H new ATOM 0 HG2 MET A 52 20.200 -5.263 -0.992 1.00 2.34 H new ATOM 0 HG3 MET A 52 21.532 -5.541 -2.097 1.00 2.34 H new ATOM 0 HE1 MET A 52 17.039 -5.789 -3.084 1.00 3.15 H new ATOM 0 HE2 MET A 52 17.816 -7.302 -2.560 1.00 3.15 H new ATOM 0 HE3 MET A 52 17.803 -5.888 -1.480 1.00 3.15 H new ATOM 882 N THR A 53 23.725 -8.229 -0.896 1.00 1.99 N ATOM 883 CA THR A 53 25.132 -8.046 -1.174 1.00 2.37 C ATOM 884 C THR A 53 25.333 -7.307 -2.492 1.00 2.75 C ATOM 885 O THR A 53 25.644 -6.099 -2.458 1.00 2.86 O ATOM 886 CB THR A 53 25.864 -9.399 -1.200 1.00 2.55 C ATOM 887 OG1 THR A 53 25.005 -10.408 -1.756 1.00 2.61 O ATOM 888 CG2 THR A 53 26.295 -9.803 0.201 1.00 2.65 C ATOM 889 OXT THR A 53 25.152 -7.922 -3.562 1.00 3.35 O ATOM 0 H THR A 53 23.387 -9.183 -1.025 1.00 1.99 H new ATOM 0 HA THR A 53 25.557 -7.441 -0.373 1.00 2.37 H new ATOM 0 HB THR A 53 26.754 -9.299 -1.821 1.00 2.55 H new ATOM 0 HG1 THR A 53 25.477 -11.267 -1.772 1.00 2.61 H new ATOM 0 HG21 THR A 53 26.811 -10.762 0.161 1.00 2.65 H new ATOM 0 HG22 THR A 53 26.967 -9.047 0.607 1.00 2.65 H new ATOM 0 HG23 THR A 53 25.417 -9.890 0.841 1.00 2.65 H new TER 897 THR A 53 ATOM 898 N MET B 1 -4.014 -14.384 5.126 1.00 1.63 N ATOM 899 CA MET B 1 -5.308 -14.230 5.833 1.00 0.89 C ATOM 900 C MET B 1 -5.296 -12.960 6.678 1.00 0.88 C ATOM 901 O MET B 1 -6.344 -12.401 6.999 1.00 1.78 O ATOM 902 CB MET B 1 -5.577 -15.451 6.720 1.00 1.31 C ATOM 903 CG MET B 1 -6.955 -15.447 7.364 1.00 1.83 C ATOM 904 SD MET B 1 -7.251 -16.884 8.414 1.00 2.73 S ATOM 905 CE MET B 1 -6.020 -16.640 9.692 1.00 3.60 C ATOM 0 H1 MET B 1 -4.109 -15.104 4.382 1.00 1.63 H new ATOM 0 H2 MET B 1 -3.743 -13.476 4.697 1.00 1.63 H new ATOM 0 H3 MET B 1 -3.282 -14.680 5.803 1.00 1.63 H new ATOM 0 HA MET B 1 -6.104 -14.153 5.093 1.00 0.89 H new ATOM 0 HB2 MET B 1 -5.468 -16.355 6.121 1.00 1.31 H new ATOM 0 HB3 MET B 1 -4.820 -15.494 7.503 1.00 1.31 H new ATOM 0 HG2 MET B 1 -7.069 -14.541 7.959 1.00 1.83 H new ATOM 0 HG3 MET B 1 -7.714 -15.413 6.583 1.00 1.83 H new ATOM 0 HE1 MET B 1 -6.285 -17.229 10.570 1.00 3.60 H new ATOM 0 HE2 MET B 1 -5.045 -16.957 9.323 1.00 3.60 H new ATOM 0 HE3 MET B 1 -5.980 -15.585 9.962 1.00 3.60 H new ATOM 917 N LYS B 2 -4.103 -12.527 7.054 1.00 0.64 N ATOM 918 CA LYS B 2 -3.919 -11.238 7.694 1.00 0.42 C ATOM 919 C LYS B 2 -2.695 -10.563 7.089 1.00 0.35 C ATOM 920 O LYS B 2 -2.736 -10.083 5.956 1.00 0.49 O ATOM 921 CB LYS B 2 -3.761 -11.397 9.208 1.00 0.56 C ATOM 922 CG LYS B 2 -3.719 -10.080 9.978 1.00 1.31 C ATOM 923 CD LYS B 2 -3.236 -10.286 11.405 1.00 1.49 C ATOM 924 CE LYS B 2 -1.713 -10.254 11.499 1.00 1.25 C ATOM 925 NZ LYS B 2 -1.207 -8.907 11.871 1.00 2.04 N ATOM 0 H LYS B 2 -3.241 -13.057 6.924 1.00 0.64 H new ATOM 0 HA LYS B 2 -4.799 -10.618 7.524 1.00 0.42 H new ATOM 0 HB2 LYS B 2 -4.587 -11.999 9.586 1.00 0.56 H new ATOM 0 HB3 LYS B 2 -2.844 -11.951 9.409 1.00 0.56 H new ATOM 0 HG2 LYS B 2 -3.059 -9.379 9.467 1.00 1.31 H new ATOM 0 HG3 LYS B 2 -4.713 -9.632 9.990 1.00 1.31 H new ATOM 0 HD2 LYS B 2 -3.656 -9.511 12.046 1.00 1.49 H new ATOM 0 HD3 LYS B 2 -3.603 -11.242 11.778 1.00 1.49 H new ATOM 0 HE2 LYS B 2 -1.380 -10.983 12.237 1.00 1.25 H new ATOM 0 HE3 LYS B 2 -1.284 -10.551 10.542 1.00 1.25 H new ATOM 0 HZ1 LYS B 2 -0.277 -8.999 12.328 1.00 2.04 H new ATOM 0 HZ2 LYS B 2 -1.116 -8.322 11.016 1.00 2.04 H new ATOM 0 HZ3 LYS B 2 -1.873 -8.456 12.530 1.00 2.04 H new ATOM 939 N SER B 3 -1.603 -10.565 7.828 1.00 0.29 N ATOM 940 CA SER B 3 -0.345 -10.075 7.339 1.00 0.22 C ATOM 941 C SER B 3 0.327 -11.148 6.523 1.00 0.24 C ATOM 942 O SER B 3 0.403 -12.311 6.924 1.00 0.40 O ATOM 943 CB SER B 3 0.511 -9.680 8.535 1.00 0.28 C ATOM 944 OG SER B 3 0.881 -10.809 9.304 1.00 1.17 O ATOM 0 H SER B 3 -1.571 -10.910 8.788 1.00 0.29 H new ATOM 0 HA SER B 3 -0.490 -9.205 6.699 1.00 0.22 H new ATOM 0 HB2 SER B 3 1.407 -9.165 8.188 1.00 0.28 H new ATOM 0 HB3 SER B 3 -0.039 -8.977 9.161 1.00 0.28 H new ATOM 0 HG SER B 3 1.431 -10.522 10.063 1.00 1.17 H new ATOM 950 N THR B 4 0.779 -10.764 5.360 1.00 0.20 N ATOM 951 CA THR B 4 1.425 -11.691 4.482 1.00 0.22 C ATOM 952 C THR B 4 2.930 -11.653 4.680 1.00 0.23 C ATOM 953 O THR B 4 3.602 -12.685 4.636 1.00 0.28 O ATOM 954 CB THR B 4 1.080 -11.364 3.026 1.00 0.23 C ATOM 955 OG1 THR B 4 1.081 -9.939 2.845 1.00 0.24 O ATOM 956 CG2 THR B 4 -0.281 -11.929 2.651 1.00 0.22 C ATOM 0 H THR B 4 0.710 -9.812 5.001 1.00 0.20 H new ATOM 0 HA THR B 4 1.069 -12.694 4.716 1.00 0.22 H new ATOM 0 HB THR B 4 1.829 -11.820 2.379 1.00 0.23 H new ATOM 0 HG1 THR B 4 1.904 -9.562 3.221 1.00 0.24 H new ATOM 0 HG21 THR B 4 -0.503 -11.684 1.613 1.00 0.22 H new ATOM 0 HG22 THR B 4 -0.272 -13.012 2.774 1.00 0.22 H new ATOM 0 HG23 THR B 4 -1.045 -11.497 3.297 1.00 0.22 H new ATOM 964 N GLY B 5 3.451 -10.454 4.931 1.00 0.20 N ATOM 965 CA GLY B 5 4.886 -10.262 4.941 1.00 0.21 C ATOM 966 C GLY B 5 5.409 -10.412 3.538 1.00 0.19 C ATOM 967 O GLY B 5 6.480 -10.960 3.303 1.00 0.29 O ATOM 0 H GLY B 5 2.904 -9.616 5.127 1.00 0.20 H new ATOM 0 HA2 GLY B 5 5.131 -9.274 5.331 1.00 0.21 H new ATOM 0 HA3 GLY B 5 5.359 -10.991 5.599 1.00 0.21 H new ATOM 971 N ILE B 6 4.615 -9.903 2.613 1.00 0.12 N ATOM 972 CA ILE B 6 4.782 -10.156 1.200 1.00 0.12 C ATOM 973 C ILE B 6 5.213 -8.874 0.496 1.00 0.11 C ATOM 974 O ILE B 6 4.560 -7.842 0.625 1.00 0.11 O ATOM 975 CB ILE B 6 3.447 -10.717 0.622 1.00 0.13 C ATOM 976 CG1 ILE B 6 3.589 -12.206 0.286 1.00 0.17 C ATOM 977 CG2 ILE B 6 2.983 -9.952 -0.613 1.00 0.16 C ATOM 978 CD1 ILE B 6 3.957 -13.076 1.467 1.00 0.20 C ATOM 0 H ILE B 6 3.826 -9.294 2.829 1.00 0.12 H new ATOM 0 HA ILE B 6 5.562 -10.899 1.035 1.00 0.12 H new ATOM 0 HB ILE B 6 2.690 -10.588 1.395 1.00 0.13 H new ATOM 0 HG12 ILE B 6 2.649 -12.563 -0.135 1.00 0.17 H new ATOM 0 HG13 ILE B 6 4.349 -12.322 -0.487 1.00 0.17 H new ATOM 0 HG21 ILE B 6 2.050 -10.381 -0.977 1.00 0.16 H new ATOM 0 HG22 ILE B 6 2.824 -8.905 -0.354 1.00 0.16 H new ATOM 0 HG23 ILE B 6 3.743 -10.022 -1.391 1.00 0.16 H new ATOM 0 HD11 ILE B 6 4.037 -14.114 1.143 1.00 0.20 H new ATOM 0 HD12 ILE B 6 4.913 -12.748 1.876 1.00 0.20 H new ATOM 0 HD13 ILE B 6 3.187 -12.994 2.234 1.00 0.20 H new ATOM 990 N VAL B 7 6.324 -8.920 -0.219 1.00 0.13 N ATOM 991 CA VAL B 7 6.837 -7.714 -0.845 1.00 0.12 C ATOM 992 C VAL B 7 6.346 -7.599 -2.284 1.00 0.13 C ATOM 993 O VAL B 7 6.155 -8.608 -2.968 1.00 0.17 O ATOM 994 CB VAL B 7 8.386 -7.629 -0.822 1.00 0.15 C ATOM 995 CG1 VAL B 7 8.949 -8.175 0.476 1.00 0.20 C ATOM 996 CG2 VAL B 7 9.024 -8.321 -2.020 1.00 0.18 C ATOM 0 H VAL B 7 6.879 -9.761 -0.379 1.00 0.13 H new ATOM 0 HA VAL B 7 6.453 -6.883 -0.254 1.00 0.12 H new ATOM 0 HB VAL B 7 8.640 -6.571 -0.889 1.00 0.15 H new ATOM 0 HG11 VAL B 7 10.036 -8.101 0.460 1.00 0.20 H new ATOM 0 HG12 VAL B 7 8.558 -7.597 1.314 1.00 0.20 H new ATOM 0 HG13 VAL B 7 8.658 -9.219 0.588 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.109 -8.233 -1.956 1.00 0.18 H new ATOM 0 HG22 VAL B 7 8.745 -9.375 -2.022 1.00 0.18 H new ATOM 0 HG23 VAL B 7 8.675 -7.851 -2.940 1.00 0.18 H new ATOM 1006 N ARG B 8 6.125 -6.371 -2.729 1.00 0.12 N ATOM 1007 CA ARG B 8 5.711 -6.104 -4.100 1.00 0.13 C ATOM 1008 C ARG B 8 6.451 -4.899 -4.648 1.00 0.14 C ATOM 1009 O ARG B 8 6.886 -4.034 -3.890 1.00 0.14 O ATOM 1010 CB ARG B 8 4.198 -5.873 -4.174 1.00 0.13 C ATOM 1011 CG ARG B 8 3.397 -7.111 -3.845 1.00 0.15 C ATOM 1012 CD ARG B 8 3.662 -8.176 -4.881 1.00 0.21 C ATOM 1013 NE ARG B 8 3.081 -9.471 -4.512 1.00 0.27 N ATOM 1014 CZ ARG B 8 2.299 -10.208 -5.310 1.00 0.90 C ATOM 1015 NH1 ARG B 8 2.003 -9.795 -6.535 1.00 1.94 N ATOM 1016 NH2 ARG B 8 1.814 -11.363 -4.874 1.00 0.79 N ATOM 0 H ARG B 8 6.227 -5.535 -2.154 1.00 0.12 H new ATOM 0 HA ARG B 8 5.957 -6.975 -4.707 1.00 0.13 H new ATOM 0 HB2 ARG B 8 3.923 -5.075 -3.484 1.00 0.13 H new ATOM 0 HB3 ARG B 8 3.936 -5.533 -5.176 1.00 0.13 H new ATOM 0 HG2 ARG B 8 3.666 -7.478 -2.855 1.00 0.15 H new ATOM 0 HG3 ARG B 8 2.334 -6.872 -3.818 1.00 0.15 H new ATOM 0 HD2 ARG B 8 3.252 -7.857 -5.839 1.00 0.21 H new ATOM 0 HD3 ARG B 8 4.738 -8.289 -5.016 1.00 0.21 H new ATOM 0 HE ARG B 8 3.287 -9.836 -3.582 1.00 0.27 H new ATOM 0 HH11 ARG B 8 2.372 -8.908 -6.877 1.00 1.94 H new ATOM 0 HH12 ARG B 8 1.406 -10.364 -7.135 1.00 1.94 H new ATOM 0 HH21 ARG B 8 2.037 -11.687 -3.933 1.00 0.79 H new ATOM 0 HH22 ARG B 8 1.218 -11.927 -5.480 1.00 0.79 H new ATOM 1030 N LYS B 9 6.604 -4.861 -5.960 1.00 0.15 N ATOM 1031 CA LYS B 9 7.264 -3.746 -6.623 1.00 0.15 C ATOM 1032 C LYS B 9 6.299 -2.581 -6.756 1.00 0.15 C ATOM 1033 O LYS B 9 5.090 -2.780 -6.906 1.00 0.19 O ATOM 1034 CB LYS B 9 7.754 -4.167 -8.012 1.00 0.17 C ATOM 1035 CG LYS B 9 8.615 -5.422 -8.012 1.00 0.25 C ATOM 1036 CD LYS B 9 10.086 -5.108 -8.253 1.00 0.37 C ATOM 1037 CE LYS B 9 10.709 -4.353 -7.093 1.00 0.44 C ATOM 1038 NZ LYS B 9 12.138 -4.038 -7.345 1.00 1.37 N ATOM 0 H LYS B 9 6.279 -5.593 -6.592 1.00 0.15 H new ATOM 0 HA LYS B 9 8.121 -3.441 -6.023 1.00 0.15 H new ATOM 0 HB2 LYS B 9 6.890 -4.332 -8.656 1.00 0.17 H new ATOM 0 HB3 LYS B 9 8.325 -3.347 -8.448 1.00 0.17 H new ATOM 0 HG2 LYS B 9 8.506 -5.936 -7.057 1.00 0.25 H new ATOM 0 HG3 LYS B 9 8.259 -6.105 -8.784 1.00 0.25 H new ATOM 0 HD2 LYS B 9 10.632 -6.037 -8.415 1.00 0.37 H new ATOM 0 HD3 LYS B 9 10.185 -4.517 -9.164 1.00 0.37 H new ATOM 0 HE2 LYS B 9 10.157 -3.428 -6.923 1.00 0.44 H new ATOM 0 HE3 LYS B 9 10.623 -4.948 -6.184 1.00 0.44 H new ATOM 0 HZ1 LYS B 9 12.714 -4.377 -6.548 1.00 1.37 H new ATOM 0 HZ2 LYS B 9 12.448 -4.507 -8.220 1.00 1.37 H new ATOM 0 HZ3 LYS B 9 12.255 -3.009 -7.443 1.00 1.37 H new ATOM 1052 N VAL B 10 6.836 -1.373 -6.718 1.00 0.14 N ATOM 1053 CA VAL B 10 6.009 -0.169 -6.725 1.00 0.15 C ATOM 1054 C VAL B 10 5.785 0.326 -8.163 1.00 0.18 C ATOM 1055 O VAL B 10 5.370 1.465 -8.398 1.00 0.21 O ATOM 1056 CB VAL B 10 6.657 0.932 -5.848 1.00 0.18 C ATOM 1057 CG1 VAL B 10 5.707 2.096 -5.606 1.00 0.22 C ATOM 1058 CG2 VAL B 10 7.126 0.346 -4.524 1.00 0.19 C ATOM 0 H VAL B 10 7.840 -1.196 -6.682 1.00 0.14 H new ATOM 0 HA VAL B 10 5.034 -0.411 -6.301 1.00 0.15 H new ATOM 0 HB VAL B 10 7.519 1.320 -6.391 1.00 0.18 H new ATOM 0 HG11 VAL B 10 6.200 2.846 -4.987 1.00 0.22 H new ATOM 0 HG12 VAL B 10 5.426 2.541 -6.561 1.00 0.22 H new ATOM 0 HG13 VAL B 10 4.813 1.736 -5.097 1.00 0.22 H new ATOM 0 HG21 VAL B 10 7.579 1.131 -3.919 1.00 0.19 H new ATOM 0 HG22 VAL B 10 6.274 -0.077 -3.991 1.00 0.19 H new ATOM 0 HG23 VAL B 10 7.861 -0.436 -4.712 1.00 0.19 H new ATOM 1068 N ASP B 11 6.070 -0.559 -9.122 1.00 0.21 N ATOM 1069 CA ASP B 11 5.801 -0.316 -10.534 1.00 0.30 C ATOM 1070 C ASP B 11 6.746 0.752 -11.068 1.00 0.38 C ATOM 1071 O ASP B 11 7.897 0.855 -10.653 1.00 0.66 O ATOM 1072 CB ASP B 11 4.335 0.121 -10.725 1.00 0.33 C ATOM 1073 CG ASP B 11 3.810 -0.055 -12.136 1.00 0.35 C ATOM 1074 OD1 ASP B 11 3.392 -1.175 -12.488 1.00 1.11 O ATOM 1075 OD2 ASP B 11 3.804 0.939 -12.892 1.00 1.17 O ATOM 0 H ASP B 11 6.496 -1.467 -8.936 1.00 0.21 H new ATOM 0 HA ASP B 11 5.965 -1.238 -11.091 1.00 0.30 H new ATOM 0 HB2 ASP B 11 3.706 -0.450 -10.042 1.00 0.33 H new ATOM 0 HB3 ASP B 11 4.241 1.170 -10.443 1.00 0.33 H new ATOM 1080 N GLU B 12 6.261 1.503 -12.018 1.00 0.30 N ATOM 1081 CA GLU B 12 6.978 2.630 -12.574 1.00 0.31 C ATOM 1082 C GLU B 12 6.144 3.875 -12.376 1.00 0.25 C ATOM 1083 O GLU B 12 6.646 4.941 -12.021 1.00 0.28 O ATOM 1084 CB GLU B 12 7.229 2.427 -14.070 1.00 0.41 C ATOM 1085 CG GLU B 12 6.505 1.228 -14.662 1.00 0.51 C ATOM 1086 CD GLU B 12 7.310 -0.063 -14.580 1.00 1.03 C ATOM 1087 OE1 GLU B 12 8.108 -0.228 -13.631 1.00 2.09 O ATOM 1088 OE2 GLU B 12 7.168 -0.912 -15.487 1.00 1.00 O ATOM 0 H GLU B 12 5.344 1.352 -12.438 1.00 0.30 H new ATOM 0 HA GLU B 12 7.940 2.726 -12.071 1.00 0.31 H new ATOM 0 HB2 GLU B 12 6.920 3.325 -14.605 1.00 0.41 H new ATOM 0 HB3 GLU B 12 8.300 2.310 -14.236 1.00 0.41 H new ATOM 0 HG2 GLU B 12 5.557 1.091 -14.141 1.00 0.51 H new ATOM 0 HG3 GLU B 12 6.268 1.434 -15.706 1.00 0.51 H new ATOM 1095 N LEU B 13 4.850 3.711 -12.597 1.00 0.24 N ATOM 1096 CA LEU B 13 3.906 4.812 -12.493 1.00 0.24 C ATOM 1097 C LEU B 13 3.613 5.162 -11.034 1.00 0.23 C ATOM 1098 O LEU B 13 2.967 6.170 -10.750 1.00 0.32 O ATOM 1099 CB LEU B 13 2.610 4.478 -13.243 1.00 0.32 C ATOM 1100 CG LEU B 13 2.704 4.504 -14.776 1.00 0.42 C ATOM 1101 CD1 LEU B 13 3.272 5.831 -15.251 1.00 0.49 C ATOM 1102 CD2 LEU B 13 3.538 3.339 -15.296 1.00 0.40 C ATOM 0 H LEU B 13 4.427 2.819 -12.852 1.00 0.24 H new ATOM 0 HA LEU B 13 4.361 5.688 -12.956 1.00 0.24 H new ATOM 0 HB2 LEU B 13 2.278 3.487 -12.934 1.00 0.32 H new ATOM 0 HB3 LEU B 13 1.839 5.184 -12.932 1.00 0.32 H new ATOM 0 HG LEU B 13 1.697 4.396 -15.179 1.00 0.42 H new ATOM 0 HD11 LEU B 13 3.332 5.832 -16.339 1.00 0.49 H new ATOM 0 HD12 LEU B 13 2.623 6.643 -14.922 1.00 0.49 H new ATOM 0 HD13 LEU B 13 4.269 5.971 -14.833 1.00 0.49 H new ATOM 0 HD21 LEU B 13 3.587 3.384 -16.384 1.00 0.40 H new ATOM 0 HD22 LEU B 13 4.546 3.401 -14.885 1.00 0.40 H new ATOM 0 HD23 LEU B 13 3.079 2.398 -14.992 1.00 0.40 H new ATOM 1114 N GLY B 14 4.061 4.311 -10.116 1.00 0.17 N ATOM 1115 CA GLY B 14 3.980 4.637 -8.700 1.00 0.15 C ATOM 1116 C GLY B 14 2.914 3.850 -8.004 1.00 0.14 C ATOM 1117 O GLY B 14 2.626 4.076 -6.840 1.00 0.15 O ATOM 0 H GLY B 14 4.478 3.404 -10.324 1.00 0.17 H new ATOM 0 HA2 GLY B 14 4.942 4.441 -8.227 1.00 0.15 H new ATOM 0 HA3 GLY B 14 3.779 5.702 -8.584 1.00 0.15 H new ATOM 1121 N ARG B 15 2.312 2.934 -8.724 1.00 0.16 N ATOM 1122 CA ARG B 15 1.293 2.096 -8.154 1.00 0.14 C ATOM 1123 C ARG B 15 1.844 0.717 -7.803 1.00 0.16 C ATOM 1124 O ARG B 15 2.285 -0.028 -8.671 1.00 0.20 O ATOM 1125 CB ARG B 15 0.088 2.029 -9.095 1.00 0.16 C ATOM 1126 CG ARG B 15 0.404 1.673 -10.531 1.00 0.25 C ATOM 1127 CD ARG B 15 -0.685 2.190 -11.454 1.00 0.48 C ATOM 1128 NE ARG B 15 -0.509 3.606 -11.784 1.00 0.87 N ATOM 1129 CZ ARG B 15 -1.417 4.343 -12.431 1.00 1.14 C ATOM 1130 NH1 ARG B 15 -2.583 3.820 -12.796 1.00 1.00 N ATOM 1131 NH2 ARG B 15 -1.156 5.610 -12.714 1.00 1.72 N ATOM 0 H ARG B 15 2.513 2.752 -9.707 1.00 0.16 H new ATOM 0 HA ARG B 15 0.953 2.534 -7.215 1.00 0.14 H new ATOM 0 HB2 ARG B 15 -0.617 1.295 -8.703 1.00 0.16 H new ATOM 0 HB3 ARG B 15 -0.417 2.995 -9.081 1.00 0.16 H new ATOM 0 HG2 ARG B 15 1.365 2.101 -10.816 1.00 0.25 H new ATOM 0 HG3 ARG B 15 0.494 0.592 -10.633 1.00 0.25 H new ATOM 0 HD2 ARG B 15 -0.688 1.603 -12.372 1.00 0.48 H new ATOM 0 HD3 ARG B 15 -1.657 2.048 -10.981 1.00 0.48 H new ATOM 0 HE ARG B 15 0.361 4.058 -11.502 1.00 0.87 H new ATOM 0 HH11 ARG B 15 -2.794 2.845 -12.583 1.00 1.00 H new ATOM 0 HH12 ARG B 15 -3.267 4.394 -13.289 1.00 1.00 H new ATOM 0 HH21 ARG B 15 -0.264 6.021 -12.438 1.00 1.72 H new ATOM 0 HH22 ARG B 15 -1.847 6.175 -13.208 1.00 1.72 H new ATOM 1145 N VAL B 16 1.792 0.379 -6.517 1.00 0.14 N ATOM 1146 CA VAL B 16 2.336 -0.886 -6.033 1.00 0.14 C ATOM 1147 C VAL B 16 1.310 -1.972 -6.252 1.00 0.12 C ATOM 1148 O VAL B 16 0.145 -1.814 -5.892 1.00 0.11 O ATOM 1149 CB VAL B 16 2.708 -0.840 -4.524 1.00 0.16 C ATOM 1150 CG1 VAL B 16 1.482 -0.768 -3.630 1.00 0.15 C ATOM 1151 CG2 VAL B 16 3.572 -2.034 -4.155 1.00 0.17 C ATOM 0 H VAL B 16 1.378 0.964 -5.791 1.00 0.14 H new ATOM 0 HA VAL B 16 3.252 -1.085 -6.589 1.00 0.14 H new ATOM 0 HB VAL B 16 3.277 0.075 -4.358 1.00 0.16 H new ATOM 0 HG11 VAL B 16 1.794 -0.738 -2.586 1.00 0.15 H new ATOM 0 HG12 VAL B 16 0.913 0.132 -3.865 1.00 0.15 H new ATOM 0 HG13 VAL B 16 0.858 -1.646 -3.797 1.00 0.15 H new ATOM 0 HG21 VAL B 16 3.824 -1.987 -3.096 1.00 0.17 H new ATOM 0 HG22 VAL B 16 3.026 -2.955 -4.358 1.00 0.17 H new ATOM 0 HG23 VAL B 16 4.487 -2.017 -4.747 1.00 0.17 H new ATOM 1161 N VAL B 17 1.720 -3.066 -6.861 1.00 0.11 N ATOM 1162 CA VAL B 17 0.774 -4.111 -7.181 1.00 0.10 C ATOM 1163 C VAL B 17 0.432 -4.880 -5.924 1.00 0.10 C ATOM 1164 O VAL B 17 1.062 -5.889 -5.601 1.00 0.10 O ATOM 1165 CB VAL B 17 1.299 -5.071 -8.267 1.00 0.10 C ATOM 1166 CG1 VAL B 17 0.161 -5.897 -8.849 1.00 0.14 C ATOM 1167 CG2 VAL B 17 2.037 -4.306 -9.361 1.00 0.12 C ATOM 0 H VAL B 17 2.684 -3.252 -7.139 1.00 0.11 H new ATOM 0 HA VAL B 17 -0.120 -3.636 -7.585 1.00 0.10 H new ATOM 0 HB VAL B 17 2.010 -5.755 -7.802 1.00 0.10 H new ATOM 0 HG11 VAL B 17 0.552 -6.568 -9.614 1.00 0.14 H new ATOM 0 HG12 VAL B 17 -0.306 -6.482 -8.057 1.00 0.14 H new ATOM 0 HG13 VAL B 17 -0.580 -5.233 -9.294 1.00 0.14 H new ATOM 0 HG21 VAL B 17 2.397 -5.006 -10.115 1.00 0.12 H new ATOM 0 HG22 VAL B 17 1.359 -3.590 -9.825 1.00 0.12 H new ATOM 0 HG23 VAL B 17 2.883 -3.774 -8.926 1.00 0.12 H new ATOM 1177 N ILE B 18 -0.542 -4.353 -5.195 1.00 0.10 N ATOM 1178 CA ILE B 18 -0.995 -4.966 -3.980 1.00 0.10 C ATOM 1179 C ILE B 18 -1.733 -6.251 -4.308 1.00 0.09 C ATOM 1180 O ILE B 18 -2.709 -6.242 -5.057 1.00 0.10 O ATOM 1181 CB ILE B 18 -1.886 -4.028 -3.141 1.00 0.12 C ATOM 1182 CG1 ILE B 18 -2.640 -4.807 -2.058 1.00 0.12 C ATOM 1183 CG2 ILE B 18 -2.852 -3.239 -4.015 1.00 0.12 C ATOM 1184 CD1 ILE B 18 -3.242 -3.924 -0.987 1.00 0.16 C ATOM 0 H ILE B 18 -1.031 -3.492 -5.438 1.00 0.10 H new ATOM 0 HA ILE B 18 -0.118 -5.188 -3.372 1.00 0.10 H new ATOM 0 HB ILE B 18 -1.229 -3.311 -2.648 1.00 0.12 H new ATOM 0 HG12 ILE B 18 -3.434 -5.389 -2.526 1.00 0.12 H new ATOM 0 HG13 ILE B 18 -1.958 -5.517 -1.591 1.00 0.12 H new ATOM 0 HG21 ILE B 18 -3.463 -2.590 -3.388 1.00 0.12 H new ATOM 0 HG22 ILE B 18 -2.289 -2.633 -4.725 1.00 0.12 H new ATOM 0 HG23 ILE B 18 -3.497 -3.929 -4.559 1.00 0.12 H new ATOM 0 HD11 ILE B 18 -3.760 -4.543 -0.254 1.00 0.16 H new ATOM 0 HD12 ILE B 18 -2.451 -3.361 -0.492 1.00 0.16 H new ATOM 0 HD13 ILE B 18 -3.950 -3.231 -1.442 1.00 0.16 H new ATOM 1196 N PRO B 19 -1.251 -7.375 -3.782 1.00 0.11 N ATOM 1197 CA PRO B 19 -1.801 -8.686 -4.099 1.00 0.15 C ATOM 1198 C PRO B 19 -3.306 -8.769 -3.897 1.00 0.17 C ATOM 1199 O PRO B 19 -3.851 -8.212 -2.935 1.00 0.16 O ATOM 1200 CB PRO B 19 -1.090 -9.618 -3.126 1.00 0.19 C ATOM 1201 CG PRO B 19 0.194 -8.928 -2.831 1.00 0.17 C ATOM 1202 CD PRO B 19 -0.122 -7.461 -2.845 1.00 0.14 C ATOM 0 HA PRO B 19 -1.647 -8.934 -5.149 1.00 0.15 H new ATOM 0 HB2 PRO B 19 -1.677 -9.771 -2.220 1.00 0.19 H new ATOM 0 HB3 PRO B 19 -0.922 -10.601 -3.567 1.00 0.19 H new ATOM 0 HG2 PRO B 19 0.590 -9.234 -1.863 1.00 0.17 H new ATOM 0 HG3 PRO B 19 0.951 -9.173 -3.576 1.00 0.17 H new ATOM 0 HD2 PRO B 19 -0.392 -7.097 -1.854 1.00 0.14 H new ATOM 0 HD3 PRO B 19 0.728 -6.868 -3.182 1.00 0.14 H new ATOM 1210 N ILE B 20 -3.966 -9.498 -4.795 1.00 0.23 N ATOM 1211 CA ILE B 20 -5.403 -9.711 -4.708 1.00 0.27 C ATOM 1212 C ILE B 20 -5.753 -10.345 -3.377 1.00 0.28 C ATOM 1213 O ILE B 20 -6.840 -10.157 -2.856 1.00 0.28 O ATOM 1214 CB ILE B 20 -5.926 -10.614 -5.848 1.00 0.35 C ATOM 1215 CG1 ILE B 20 -5.365 -12.043 -5.734 1.00 0.40 C ATOM 1216 CG2 ILE B 20 -5.580 -9.998 -7.192 1.00 0.38 C ATOM 1217 CD1 ILE B 20 -6.303 -13.018 -5.043 1.00 0.43 C ATOM 0 H ILE B 20 -3.523 -9.952 -5.594 1.00 0.23 H new ATOM 0 HA ILE B 20 -5.879 -8.735 -4.800 1.00 0.27 H new ATOM 0 HB ILE B 20 -7.010 -10.686 -5.762 1.00 0.35 H new ATOM 0 HG12 ILE B 20 -5.141 -12.416 -6.733 1.00 0.40 H new ATOM 0 HG13 ILE B 20 -4.423 -12.011 -5.187 1.00 0.40 H new ATOM 0 HG21 ILE B 20 -5.951 -10.639 -7.992 1.00 0.38 H new ATOM 0 HG22 ILE B 20 -6.042 -9.014 -7.271 1.00 0.38 H new ATOM 0 HG23 ILE B 20 -4.498 -9.899 -7.279 1.00 0.38 H new ATOM 0 HD11 ILE B 20 -5.838 -14.003 -5.001 1.00 0.43 H new ATOM 0 HD12 ILE B 20 -6.508 -12.670 -4.031 1.00 0.43 H new ATOM 0 HD13 ILE B 20 -7.237 -13.082 -5.601 1.00 0.43 H new ATOM 1229 N GLU B 21 -4.795 -11.078 -2.834 1.00 0.30 N ATOM 1230 CA GLU B 21 -4.988 -11.842 -1.620 1.00 0.33 C ATOM 1231 C GLU B 21 -5.226 -10.912 -0.441 1.00 0.30 C ATOM 1232 O GLU B 21 -6.166 -11.097 0.338 1.00 0.30 O ATOM 1233 CB GLU B 21 -3.758 -12.707 -1.373 1.00 0.38 C ATOM 1234 CG GLU B 21 -3.061 -13.119 -2.664 1.00 0.37 C ATOM 1235 CD GLU B 21 -1.976 -14.149 -2.455 1.00 0.44 C ATOM 1236 OE1 GLU B 21 -2.312 -15.308 -2.141 1.00 1.27 O ATOM 1237 OE2 GLU B 21 -0.785 -13.807 -2.611 1.00 1.06 O ATOM 0 H GLU B 21 -3.858 -11.158 -3.228 1.00 0.30 H new ATOM 0 HA GLU B 21 -5.864 -12.481 -1.730 1.00 0.33 H new ATOM 0 HB2 GLU B 21 -3.055 -12.161 -0.744 1.00 0.38 H new ATOM 0 HB3 GLU B 21 -4.052 -13.601 -0.822 1.00 0.38 H new ATOM 0 HG2 GLU B 21 -3.802 -13.517 -3.357 1.00 0.37 H new ATOM 0 HG3 GLU B 21 -2.628 -12.235 -3.133 1.00 0.37 H new ATOM 1244 N LEU B 22 -4.391 -9.891 -0.324 1.00 0.28 N ATOM 1245 CA LEU B 22 -4.549 -8.932 0.745 1.00 0.27 C ATOM 1246 C LEU B 22 -5.833 -8.141 0.574 1.00 0.23 C ATOM 1247 O LEU B 22 -6.604 -8.002 1.514 1.00 0.25 O ATOM 1248 CB LEU B 22 -3.347 -8.005 0.815 1.00 0.28 C ATOM 1249 CG LEU B 22 -2.084 -8.669 1.345 1.00 0.30 C ATOM 1250 CD1 LEU B 22 -1.037 -8.753 0.257 1.00 0.52 C ATOM 1251 CD2 LEU B 22 -1.549 -7.922 2.554 1.00 0.41 C ATOM 0 H LEU B 22 -3.607 -9.711 -0.951 1.00 0.28 H new ATOM 0 HA LEU B 22 -4.612 -9.478 1.686 1.00 0.27 H new ATOM 0 HB2 LEU B 22 -3.147 -7.610 -0.181 1.00 0.28 H new ATOM 0 HB3 LEU B 22 -3.593 -7.155 1.452 1.00 0.28 H new ATOM 0 HG LEU B 22 -2.334 -9.682 1.660 1.00 0.30 H new ATOM 0 HD11 LEU B 22 -0.140 -9.230 0.651 1.00 0.52 H new ATOM 0 HD12 LEU B 22 -1.424 -9.340 -0.576 1.00 0.52 H new ATOM 0 HD13 LEU B 22 -0.791 -7.749 -0.090 1.00 0.52 H new ATOM 0 HD21 LEU B 22 -0.646 -8.414 2.916 1.00 0.41 H new ATOM 0 HD22 LEU B 22 -1.314 -6.895 2.273 1.00 0.41 H new ATOM 0 HD23 LEU B 22 -2.302 -7.919 3.342 1.00 0.41 H new ATOM 1263 N ARG B 23 -6.109 -7.674 -0.637 1.00 0.20 N ATOM 1264 CA ARG B 23 -7.328 -6.907 -0.868 1.00 0.19 C ATOM 1265 C ARG B 23 -8.541 -7.822 -0.749 1.00 0.20 C ATOM 1266 O ARG B 23 -9.670 -7.373 -0.584 1.00 0.21 O ATOM 1267 CB ARG B 23 -7.281 -6.168 -2.220 1.00 0.22 C ATOM 1268 CG ARG B 23 -7.117 -7.038 -3.458 1.00 0.33 C ATOM 1269 CD ARG B 23 -8.431 -7.661 -3.913 1.00 0.48 C ATOM 1270 NE ARG B 23 -8.410 -7.973 -5.340 1.00 0.71 N ATOM 1271 CZ ARG B 23 -9.220 -8.849 -5.933 1.00 0.94 C ATOM 1272 NH1 ARG B 23 -10.112 -9.525 -5.219 1.00 1.10 N ATOM 1273 NH2 ARG B 23 -9.144 -9.041 -7.245 1.00 1.20 N ATOM 0 H ARG B 23 -5.520 -7.808 -1.459 1.00 0.20 H new ATOM 0 HA ARG B 23 -7.412 -6.135 -0.103 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.199 -5.591 -2.327 1.00 0.22 H new ATOM 0 HB3 ARG B 23 -6.458 -5.454 -2.192 1.00 0.22 H new ATOM 0 HG2 ARG B 23 -6.704 -6.437 -4.268 1.00 0.33 H new ATOM 0 HG3 ARG B 23 -6.397 -7.829 -3.249 1.00 0.33 H new ATOM 0 HD2 ARG B 23 -8.620 -8.571 -3.343 1.00 0.48 H new ATOM 0 HD3 ARG B 23 -9.252 -6.976 -3.701 1.00 0.48 H new ATOM 0 HE ARG B 23 -7.728 -7.487 -5.922 1.00 0.71 H new ATOM 0 HH11 ARG B 23 -10.179 -9.375 -4.212 1.00 1.10 H new ATOM 0 HH12 ARG B 23 -10.730 -10.195 -5.677 1.00 1.10 H new ATOM 0 HH21 ARG B 23 -8.466 -8.518 -7.799 1.00 1.20 H new ATOM 0 HH22 ARG B 23 -9.764 -9.712 -7.699 1.00 1.20 H new ATOM 1287 N ARG B 24 -8.271 -9.115 -0.798 1.00 0.24 N ATOM 1288 CA ARG B 24 -9.265 -10.137 -0.550 1.00 0.27 C ATOM 1289 C ARG B 24 -9.439 -10.316 0.953 1.00 0.29 C ATOM 1290 O ARG B 24 -10.479 -10.769 1.427 1.00 0.33 O ATOM 1291 CB ARG B 24 -8.819 -11.429 -1.239 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.560 -12.669 -0.803 1.00 0.38 C ATOM 1293 CD ARG B 24 -8.826 -13.331 0.344 1.00 0.65 C ATOM 1294 NE ARG B 24 -9.483 -14.544 0.816 1.00 0.70 N ATOM 1295 CZ ARG B 24 -10.159 -14.624 1.959 1.00 1.25 C ATOM 1296 NH1 ARG B 24 -10.417 -13.527 2.661 1.00 2.11 N ATOM 1297 NH2 ARG B 24 -10.613 -15.798 2.373 1.00 1.28 N ATOM 0 H ARG B 24 -7.345 -9.485 -1.013 1.00 0.24 H new ATOM 0 HA ARG B 24 -10.234 -9.851 -0.959 1.00 0.27 H new ATOM 0 HB2 ARG B 24 -8.941 -11.310 -2.316 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.755 -11.575 -1.053 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.573 -12.409 -0.496 1.00 0.38 H new ATOM 0 HG3 ARG B 24 -9.648 -13.363 -1.639 1.00 0.38 H new ATOM 0 HD2 ARG B 24 -7.812 -13.573 0.027 1.00 0.65 H new ATOM 0 HD3 ARG B 24 -8.742 -12.625 1.170 1.00 0.65 H new ATOM 0 HE ARG B 24 -9.421 -15.381 0.236 1.00 0.70 H new ATOM 0 HH11 ARG B 24 -10.097 -12.619 2.324 1.00 2.11 H new ATOM 0 HH12 ARG B 24 -10.936 -13.592 3.537 1.00 2.11 H new ATOM 0 HH21 ARG B 24 -10.444 -16.636 1.816 1.00 1.28 H new ATOM 0 HH22 ARG B 24 -11.132 -15.864 3.249 1.00 1.28 H new ATOM 1311 N THR B 25 -8.406 -9.951 1.699 1.00 0.29 N ATOM 1312 CA THR B 25 -8.461 -9.978 3.146 1.00 0.35 C ATOM 1313 C THR B 25 -9.362 -8.861 3.665 1.00 0.33 C ATOM 1314 O THR B 25 -10.163 -9.068 4.575 1.00 0.37 O ATOM 1315 CB THR B 25 -7.051 -9.830 3.753 1.00 0.41 C ATOM 1316 OG1 THR B 25 -6.180 -10.845 3.233 1.00 0.45 O ATOM 1317 CG2 THR B 25 -7.092 -9.918 5.268 1.00 0.51 C ATOM 0 H THR B 25 -7.515 -9.631 1.318 1.00 0.29 H new ATOM 0 HA THR B 25 -8.873 -10.941 3.448 1.00 0.35 H new ATOM 0 HB THR B 25 -6.669 -8.847 3.477 1.00 0.41 H new ATOM 0 HG1 THR B 25 -6.193 -10.817 2.253 1.00 0.45 H new ATOM 0 HG21 THR B 25 -6.083 -9.810 5.666 1.00 0.51 H new ATOM 0 HG22 THR B 25 -7.724 -9.122 5.662 1.00 0.51 H new ATOM 0 HG23 THR B 25 -7.498 -10.885 5.565 1.00 0.51 H new ATOM 1325 N LEU B 26 -9.232 -7.678 3.069 1.00 0.30 N ATOM 1326 CA LEU B 26 -10.013 -6.519 3.506 1.00 0.33 C ATOM 1327 C LEU B 26 -11.366 -6.447 2.801 1.00 0.32 C ATOM 1328 O LEU B 26 -12.254 -5.704 3.225 1.00 0.43 O ATOM 1329 CB LEU B 26 -9.257 -5.211 3.275 1.00 0.40 C ATOM 1330 CG LEU B 26 -7.861 -5.110 3.901 1.00 0.50 C ATOM 1331 CD1 LEU B 26 -7.787 -5.854 5.224 1.00 0.59 C ATOM 1332 CD2 LEU B 26 -6.803 -5.602 2.940 1.00 0.54 C ATOM 0 H LEU B 26 -8.600 -7.495 2.289 1.00 0.30 H new ATOM 0 HA LEU B 26 -10.180 -6.650 4.575 1.00 0.33 H new ATOM 0 HB2 LEU B 26 -9.161 -5.057 2.200 1.00 0.40 H new ATOM 0 HB3 LEU B 26 -9.865 -4.393 3.661 1.00 0.40 H new ATOM 0 HG LEU B 26 -7.668 -4.057 4.108 1.00 0.50 H new ATOM 0 HD11 LEU B 26 -6.783 -5.761 5.638 1.00 0.59 H new ATOM 0 HD12 LEU B 26 -8.508 -5.429 5.922 1.00 0.59 H new ATOM 0 HD13 LEU B 26 -8.016 -6.907 5.062 1.00 0.59 H new ATOM 0 HD21 LEU B 26 -5.821 -5.520 3.407 1.00 0.54 H new ATOM 0 HD22 LEU B 26 -6.999 -6.644 2.686 1.00 0.54 H new ATOM 0 HD23 LEU B 26 -6.825 -4.997 2.034 1.00 0.54 H new ATOM 1344 N GLY B 27 -11.506 -7.189 1.710 1.00 0.24 N ATOM 1345 CA GLY B 27 -12.763 -7.226 0.985 1.00 0.27 C ATOM 1346 C GLY B 27 -12.885 -6.119 -0.047 1.00 0.33 C ATOM 1347 O GLY B 27 -13.938 -5.946 -0.663 1.00 0.52 O ATOM 0 H GLY B 27 -10.768 -7.769 1.312 1.00 0.24 H new ATOM 0 HA2 GLY B 27 -12.861 -8.191 0.488 1.00 0.27 H new ATOM 0 HA3 GLY B 27 -13.587 -7.147 1.694 1.00 0.27 H new ATOM 1351 N ILE B 28 -11.807 -5.368 -0.233 1.00 0.32 N ATOM 1352 CA ILE B 28 -11.750 -4.326 -1.248 1.00 0.36 C ATOM 1353 C ILE B 28 -11.511 -4.941 -2.631 1.00 0.32 C ATOM 1354 O ILE B 28 -11.857 -6.103 -2.863 1.00 0.35 O ATOM 1355 CB ILE B 28 -10.640 -3.311 -0.918 1.00 0.42 C ATOM 1356 CG1 ILE B 28 -9.289 -4.008 -0.853 1.00 0.42 C ATOM 1357 CG2 ILE B 28 -10.945 -2.602 0.391 1.00 0.73 C ATOM 1358 CD1 ILE B 28 -8.142 -3.056 -0.635 1.00 0.50 C ATOM 0 H ILE B 28 -10.951 -5.464 0.314 1.00 0.32 H new ATOM 0 HA ILE B 28 -12.706 -3.803 -1.258 1.00 0.36 H new ATOM 0 HB ILE B 28 -10.601 -2.564 -1.710 1.00 0.42 H new ATOM 0 HG12 ILE B 28 -9.303 -4.741 -0.046 1.00 0.42 H new ATOM 0 HG13 ILE B 28 -9.126 -4.558 -1.780 1.00 0.42 H new ATOM 0 HG21 ILE B 28 -10.152 -1.888 0.611 1.00 0.73 H new ATOM 0 HG22 ILE B 28 -11.895 -2.075 0.306 1.00 0.73 H new ATOM 0 HG23 ILE B 28 -11.007 -3.335 1.196 1.00 0.73 H new ATOM 0 HD11 ILE B 28 -7.207 -3.615 -0.598 1.00 0.50 H new ATOM 0 HD12 ILE B 28 -8.104 -2.339 -1.455 1.00 0.50 H new ATOM 0 HD13 ILE B 28 -8.284 -2.524 0.306 1.00 0.50 H new ATOM 1370 N ALA B 29 -10.912 -4.190 -3.551 1.00 0.30 N ATOM 1371 CA ALA B 29 -10.789 -4.664 -4.922 1.00 0.33 C ATOM 1372 C ALA B 29 -9.599 -4.071 -5.668 1.00 0.43 C ATOM 1373 O ALA B 29 -8.449 -4.456 -5.461 1.00 0.92 O ATOM 1374 CB ALA B 29 -12.085 -4.400 -5.684 1.00 0.36 C ATOM 0 H ALA B 29 -10.512 -3.268 -3.376 1.00 0.30 H new ATOM 0 HA ALA B 29 -10.604 -5.737 -4.865 1.00 0.33 H new ATOM 0 HB1 ALA B 29 -11.984 -4.758 -6.709 1.00 0.36 H new ATOM 0 HB2 ALA B 29 -12.907 -4.924 -5.196 1.00 0.36 H new ATOM 0 HB3 ALA B 29 -12.291 -3.330 -5.692 1.00 0.36 H new ATOM 1380 N GLU B 30 -9.919 -3.161 -6.561 1.00 0.31 N ATOM 1381 CA GLU B 30 -8.958 -2.487 -7.409 1.00 0.29 C ATOM 1382 C GLU B 30 -9.586 -1.162 -7.784 1.00 0.28 C ATOM 1383 O GLU B 30 -8.955 -0.111 -7.809 1.00 0.36 O ATOM 1384 CB GLU B 30 -8.685 -3.342 -8.657 1.00 0.36 C ATOM 1385 CG GLU B 30 -9.961 -3.702 -9.409 1.00 0.47 C ATOM 1386 CD GLU B 30 -9.775 -4.776 -10.459 1.00 0.78 C ATOM 1387 OE1 GLU B 30 -9.732 -5.968 -10.091 1.00 1.50 O ATOM 1388 OE2 GLU B 30 -9.705 -4.433 -11.658 1.00 1.44 O ATOM 0 H GLU B 30 -10.880 -2.861 -6.723 1.00 0.31 H new ATOM 0 HA GLU B 30 -8.003 -2.332 -6.907 1.00 0.29 H new ATOM 0 HB2 GLU B 30 -8.014 -2.801 -9.324 1.00 0.36 H new ATOM 0 HB3 GLU B 30 -8.171 -4.257 -8.361 1.00 0.36 H new ATOM 0 HG2 GLU B 30 -10.711 -4.035 -8.692 1.00 0.47 H new ATOM 0 HG3 GLU B 30 -10.354 -2.805 -9.887 1.00 0.47 H new ATOM 1395 N LYS B 31 -10.880 -1.243 -8.029 1.00 0.24 N ATOM 1396 CA LYS B 31 -11.714 -0.087 -8.245 1.00 0.25 C ATOM 1397 C LYS B 31 -11.968 0.593 -6.914 1.00 0.24 C ATOM 1398 O LYS B 31 -12.560 1.672 -6.847 1.00 0.28 O ATOM 1399 CB LYS B 31 -13.029 -0.542 -8.854 1.00 0.27 C ATOM 1400 CG LYS B 31 -12.858 -1.533 -9.994 1.00 0.30 C ATOM 1401 CD LYS B 31 -12.470 -0.865 -11.306 1.00 0.40 C ATOM 1402 CE LYS B 31 -11.020 -0.408 -11.321 1.00 0.37 C ATOM 1403 NZ LYS B 31 -10.539 -0.140 -12.700 1.00 0.46 N ATOM 0 H LYS B 31 -11.384 -2.128 -8.083 1.00 0.24 H new ATOM 0 HA LYS B 31 -11.225 0.616 -8.920 1.00 0.25 H new ATOM 0 HB2 LYS B 31 -13.642 -0.997 -8.076 1.00 0.27 H new ATOM 0 HB3 LYS B 31 -13.572 0.330 -9.219 1.00 0.27 H new ATOM 0 HG2 LYS B 31 -12.094 -2.262 -9.723 1.00 0.30 H new ATOM 0 HG3 LYS B 31 -13.789 -2.083 -10.133 1.00 0.30 H new ATOM 0 HD2 LYS B 31 -12.636 -1.562 -12.128 1.00 0.40 H new ATOM 0 HD3 LYS B 31 -13.120 -0.007 -11.479 1.00 0.40 H new ATOM 0 HE2 LYS B 31 -10.917 0.495 -10.719 1.00 0.37 H new ATOM 0 HE3 LYS B 31 -10.394 -1.172 -10.860 1.00 0.37 H new ATOM 0 HZ1 LYS B 31 -9.563 0.218 -12.664 1.00 0.46 H new ATOM 0 HZ2 LYS B 31 -10.565 -1.020 -13.254 1.00 0.46 H new ATOM 0 HZ3 LYS B 31 -11.152 0.570 -13.149 1.00 0.46 H new ATOM 1417 N ASP B 32 -11.512 -0.060 -5.853 1.00 0.21 N ATOM 1418 CA ASP B 32 -11.684 0.438 -4.518 1.00 0.21 C ATOM 1419 C ASP B 32 -10.679 1.545 -4.257 1.00 0.22 C ATOM 1420 O ASP B 32 -9.766 1.773 -5.057 1.00 0.40 O ATOM 1421 CB ASP B 32 -11.528 -0.711 -3.509 1.00 0.21 C ATOM 1422 CG ASP B 32 -10.099 -0.968 -3.099 1.00 1.19 C ATOM 1423 OD1 ASP B 32 -9.615 -0.311 -2.160 1.00 2.05 O ATOM 1424 OD2 ASP B 32 -9.480 -1.867 -3.693 1.00 1.85 O ATOM 0 H ASP B 32 -11.014 -0.949 -5.906 1.00 0.21 H new ATOM 0 HA ASP B 32 -12.686 0.852 -4.403 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -12.117 -0.485 -2.620 1.00 0.21 H new ATOM 0 HB3 ASP B 32 -11.942 -1.622 -3.942 1.00 0.21 H new ATOM 1429 N ALA B 33 -10.868 2.250 -3.164 1.00 0.21 N ATOM 1430 CA ALA B 33 -9.943 3.287 -2.770 1.00 0.17 C ATOM 1431 C ALA B 33 -9.388 2.942 -1.404 1.00 0.15 C ATOM 1432 O ALA B 33 -10.106 2.430 -0.542 1.00 0.25 O ATOM 1433 CB ALA B 33 -10.618 4.655 -2.752 1.00 0.21 C ATOM 0 H ALA B 33 -11.657 2.123 -2.531 1.00 0.21 H new ATOM 0 HA ALA B 33 -9.132 3.343 -3.496 1.00 0.17 H new ATOM 0 HB1 ALA B 33 -9.895 5.413 -2.452 1.00 0.21 H new ATOM 0 HB2 ALA B 33 -10.995 4.888 -3.748 1.00 0.21 H new ATOM 0 HB3 ALA B 33 -11.446 4.643 -2.044 1.00 0.21 H new ATOM 1439 N LEU B 34 -8.129 3.225 -1.206 1.00 0.11 N ATOM 1440 CA LEU B 34 -7.466 2.889 0.024 1.00 0.12 C ATOM 1441 C LEU B 34 -6.961 4.151 0.661 1.00 0.12 C ATOM 1442 O LEU B 34 -6.250 4.925 0.031 1.00 0.14 O ATOM 1443 CB LEU B 34 -6.314 1.922 -0.241 1.00 0.14 C ATOM 1444 CG LEU B 34 -6.737 0.472 -0.447 1.00 0.15 C ATOM 1445 CD1 LEU B 34 -5.591 -0.338 -1.031 1.00 0.23 C ATOM 1446 CD2 LEU B 34 -7.184 -0.128 0.877 1.00 0.33 C ATOM 0 H LEU B 34 -7.536 3.694 -1.891 1.00 0.11 H new ATOM 0 HA LEU B 34 -8.167 2.397 0.698 1.00 0.12 H new ATOM 0 HB2 LEU B 34 -5.771 2.257 -1.125 1.00 0.14 H new ATOM 0 HB3 LEU B 34 -5.618 1.968 0.597 1.00 0.14 H new ATOM 0 HG LEU B 34 -7.570 0.445 -1.149 1.00 0.15 H new ATOM 0 HD11 LEU B 34 -5.910 -1.371 -1.172 1.00 0.23 H new ATOM 0 HD12 LEU B 34 -5.299 0.086 -1.992 1.00 0.23 H new ATOM 0 HD13 LEU B 34 -4.741 -0.310 -0.349 1.00 0.23 H new ATOM 0 HD21 LEU B 34 -7.485 -1.164 0.724 1.00 0.33 H new ATOM 0 HD22 LEU B 34 -6.360 -0.091 1.590 1.00 0.33 H new ATOM 0 HD23 LEU B 34 -8.028 0.441 1.268 1.00 0.33 H new ATOM 1458 N GLU B 35 -7.336 4.361 1.894 1.00 0.14 N ATOM 1459 CA GLU B 35 -6.947 5.537 2.609 1.00 0.16 C ATOM 1460 C GLU B 35 -5.633 5.257 3.289 1.00 0.13 C ATOM 1461 O GLU B 35 -5.569 4.568 4.311 1.00 0.14 O ATOM 1462 CB GLU B 35 -8.012 5.926 3.618 1.00 0.25 C ATOM 1463 CG GLU B 35 -7.869 7.355 4.080 1.00 0.33 C ATOM 1464 CD GLU B 35 -9.012 7.799 4.966 1.00 0.47 C ATOM 1465 OE1 GLU B 35 -10.181 7.608 4.575 1.00 1.01 O ATOM 1466 OE2 GLU B 35 -8.750 8.344 6.058 1.00 1.29 O ATOM 0 H GLU B 35 -7.921 3.718 2.428 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.834 6.375 1.922 1.00 0.16 H new ATOM 0 HB2 GLU B 35 -8.998 5.787 3.174 1.00 0.25 H new ATOM 0 HB3 GLU B 35 -7.954 5.261 4.479 1.00 0.25 H new ATOM 0 HG2 GLU B 35 -6.930 7.465 4.623 1.00 0.33 H new ATOM 0 HG3 GLU B 35 -7.813 8.010 3.210 1.00 0.33 H new ATOM 1473 N ILE B 36 -4.585 5.738 2.673 1.00 0.11 N ATOM 1474 CA ILE B 36 -3.248 5.414 3.103 1.00 0.09 C ATOM 1475 C ILE B 36 -2.706 6.400 4.136 1.00 0.10 C ATOM 1476 O ILE B 36 -2.816 7.625 4.001 1.00 0.12 O ATOM 1477 CB ILE B 36 -2.299 5.341 1.903 1.00 0.11 C ATOM 1478 CG1 ILE B 36 -2.765 4.275 0.913 1.00 0.10 C ATOM 1479 CG2 ILE B 36 -0.884 5.060 2.367 1.00 0.14 C ATOM 1480 CD1 ILE B 36 -3.254 4.850 -0.393 1.00 0.13 C ATOM 0 H ILE B 36 -4.632 6.360 1.866 1.00 0.11 H new ATOM 0 HA ILE B 36 -3.304 4.438 3.584 1.00 0.09 H new ATOM 0 HB ILE B 36 -2.309 6.305 1.394 1.00 0.11 H new ATOM 0 HG12 ILE B 36 -1.942 3.588 0.715 1.00 0.10 H new ATOM 0 HG13 ILE B 36 -3.565 3.691 1.368 1.00 0.10 H new ATOM 0 HG21 ILE B 36 -0.221 5.011 1.503 1.00 0.14 H new ATOM 0 HG22 ILE B 36 -0.554 5.858 3.033 1.00 0.14 H new ATOM 0 HG23 ILE B 36 -0.858 4.109 2.899 1.00 0.14 H new ATOM 0 HD11 ILE B 36 -3.570 4.041 -1.051 1.00 0.13 H new ATOM 0 HD12 ILE B 36 -4.097 5.515 -0.205 1.00 0.13 H new ATOM 0 HD13 ILE B 36 -2.449 5.410 -0.868 1.00 0.13 H new ATOM 1492 N TYR B 37 -2.113 5.828 5.163 1.00 0.11 N ATOM 1493 CA TYR B 37 -1.474 6.561 6.239 1.00 0.12 C ATOM 1494 C TYR B 37 -0.037 6.079 6.340 1.00 0.11 C ATOM 1495 O TYR B 37 0.389 5.249 5.548 1.00 0.11 O ATOM 1496 CB TYR B 37 -2.169 6.304 7.582 1.00 0.16 C ATOM 1497 CG TYR B 37 -3.678 6.341 7.559 1.00 0.39 C ATOM 1498 CD1 TYR B 37 -4.366 7.542 7.649 1.00 1.12 C ATOM 1499 CD2 TYR B 37 -4.415 5.167 7.481 1.00 1.43 C ATOM 1500 CE1 TYR B 37 -5.747 7.573 7.657 1.00 1.19 C ATOM 1501 CE2 TYR B 37 -5.794 5.189 7.494 1.00 1.59 C ATOM 1502 CZ TYR B 37 -6.456 6.394 7.581 1.00 0.88 C ATOM 1503 OH TYR B 37 -7.833 6.417 7.608 1.00 1.13 O ATOM 0 H TYR B 37 -2.060 4.816 5.277 1.00 0.11 H new ATOM 0 HA TYR B 37 -1.530 7.628 6.023 1.00 0.12 H new ATOM 0 HB2 TYR B 37 -1.854 5.328 7.952 1.00 0.16 H new ATOM 0 HB3 TYR B 37 -1.817 7.045 8.299 1.00 0.16 H new ATOM 0 HD1 TYR B 37 -3.813 8.468 7.714 1.00 1.12 H new ATOM 0 HD2 TYR B 37 -3.900 4.221 7.409 1.00 1.43 H new ATOM 0 HE1 TYR B 37 -6.268 8.517 7.722 1.00 1.19 H new ATOM 0 HE2 TYR B 37 -6.352 4.266 7.436 1.00 1.59 H new ATOM 0 HH TYR B 37 -8.150 7.308 7.350 1.00 1.13 H new ATOM 1513 N VAL B 38 0.706 6.624 7.284 1.00 0.12 N ATOM 1514 CA VAL B 38 2.050 6.159 7.591 1.00 0.13 C ATOM 1515 C VAL B 38 2.340 6.372 9.066 1.00 0.14 C ATOM 1516 O VAL B 38 2.066 7.437 9.612 1.00 0.17 O ATOM 1517 CB VAL B 38 3.142 6.867 6.749 1.00 0.15 C ATOM 1518 CG1 VAL B 38 4.517 6.738 7.404 1.00 0.16 C ATOM 1519 CG2 VAL B 38 3.193 6.324 5.330 1.00 0.19 C ATOM 0 H VAL B 38 0.396 7.404 7.863 1.00 0.12 H new ATOM 0 HA VAL B 38 2.083 5.099 7.340 1.00 0.13 H new ATOM 0 HB VAL B 38 2.873 7.922 6.704 1.00 0.15 H new ATOM 0 HG11 VAL B 38 5.262 7.245 6.790 1.00 0.16 H new ATOM 0 HG12 VAL B 38 4.493 7.193 8.394 1.00 0.16 H new ATOM 0 HG13 VAL B 38 4.779 5.684 7.496 1.00 0.16 H new ATOM 0 HG21 VAL B 38 3.970 6.844 4.769 1.00 0.19 H new ATOM 0 HG22 VAL B 38 3.416 5.257 5.356 1.00 0.19 H new ATOM 0 HG23 VAL B 38 2.229 6.481 4.846 1.00 0.19 H new ATOM 1529 N ASP B 39 2.901 5.368 9.702 1.00 0.16 N ATOM 1530 CA ASP B 39 3.259 5.475 11.096 1.00 0.20 C ATOM 1531 C ASP B 39 4.757 5.468 11.263 1.00 0.24 C ATOM 1532 O ASP B 39 5.388 4.413 11.220 1.00 0.35 O ATOM 1533 CB ASP B 39 2.597 4.386 11.943 1.00 0.37 C ATOM 1534 CG ASP B 39 1.215 4.810 12.400 1.00 0.99 C ATOM 1535 OD1 ASP B 39 1.079 5.962 12.870 1.00 1.71 O ATOM 1536 OD2 ASP B 39 0.265 4.001 12.298 1.00 1.49 O ATOM 0 H ASP B 39 3.119 4.468 9.274 1.00 0.16 H new ATOM 0 HA ASP B 39 2.881 6.430 11.460 1.00 0.20 H new ATOM 0 HB2 ASP B 39 2.525 3.465 11.364 1.00 0.37 H new ATOM 0 HB3 ASP B 39 3.219 4.169 12.811 1.00 0.37 H new ATOM 1541 N ASP B 40 5.311 6.688 11.311 1.00 0.33 N ATOM 1542 CA ASP B 40 6.673 6.954 11.788 1.00 0.46 C ATOM 1543 C ASP B 40 7.763 6.381 10.896 1.00 0.51 C ATOM 1544 O ASP B 40 8.932 6.751 11.020 1.00 0.90 O ATOM 1545 CB ASP B 40 6.834 6.422 13.208 1.00 0.71 C ATOM 1546 CG ASP B 40 5.958 7.170 14.193 1.00 1.40 C ATOM 1547 OD1 ASP B 40 4.760 6.839 14.306 1.00 2.08 O ATOM 1548 OD2 ASP B 40 6.456 8.119 14.836 1.00 1.98 O ATOM 0 H ASP B 40 4.817 7.530 11.015 1.00 0.33 H new ATOM 0 HA ASP B 40 6.799 8.036 11.765 1.00 0.46 H new ATOM 0 HB2 ASP B 40 6.582 5.362 13.230 1.00 0.71 H new ATOM 0 HB3 ASP B 40 7.877 6.507 13.512 1.00 0.71 H new ATOM 1553 N GLU B 41 7.378 5.510 9.988 1.00 0.40 N ATOM 1554 CA GLU B 41 8.328 4.707 9.243 1.00 0.60 C ATOM 1555 C GLU B 41 7.626 3.782 8.255 1.00 0.45 C ATOM 1556 O GLU B 41 8.269 3.223 7.369 1.00 0.48 O ATOM 1557 CB GLU B 41 9.146 3.851 10.220 1.00 1.02 C ATOM 1558 CG GLU B 41 8.273 3.074 11.201 1.00 1.19 C ATOM 1559 CD GLU B 41 9.052 2.084 12.038 1.00 1.70 C ATOM 1560 OE1 GLU B 41 9.284 0.952 11.565 1.00 2.39 O ATOM 1561 OE2 GLU B 41 9.420 2.420 13.181 1.00 1.96 O ATOM 0 H GLU B 41 6.402 5.338 9.745 1.00 0.40 H new ATOM 0 HA GLU B 41 8.975 5.385 8.686 1.00 0.60 H new ATOM 0 HB2 GLU B 41 9.761 3.151 9.655 1.00 1.02 H new ATOM 0 HB3 GLU B 41 9.826 4.495 10.778 1.00 1.02 H new ATOM 0 HG2 GLU B 41 7.765 3.777 11.861 1.00 1.19 H new ATOM 0 HG3 GLU B 41 7.500 2.542 10.647 1.00 1.19 H new ATOM 1568 N LYS B 42 6.318 3.584 8.407 1.00 0.32 N ATOM 1569 CA LYS B 42 5.652 2.592 7.587 1.00 0.28 C ATOM 1570 C LYS B 42 4.312 3.049 7.064 1.00 0.20 C ATOM 1571 O LYS B 42 3.653 3.885 7.652 1.00 0.18 O ATOM 1572 CB LYS B 42 5.491 1.300 8.384 1.00 0.35 C ATOM 1573 CG LYS B 42 4.403 1.385 9.441 1.00 0.44 C ATOM 1574 CD LYS B 42 4.432 0.200 10.390 1.00 0.52 C ATOM 1575 CE LYS B 42 3.275 0.260 11.372 1.00 0.41 C ATOM 1576 NZ LYS B 42 3.434 -0.719 12.480 1.00 0.83 N ATOM 0 H LYS B 42 5.721 4.081 9.068 1.00 0.32 H new ATOM 0 HA LYS B 42 6.281 2.426 6.713 1.00 0.28 H new ATOM 0 HB2 LYS B 42 5.261 0.484 7.699 1.00 0.35 H new ATOM 0 HB3 LYS B 42 6.438 1.056 8.865 1.00 0.35 H new ATOM 0 HG2 LYS B 42 4.523 2.307 10.010 1.00 0.44 H new ATOM 0 HG3 LYS B 42 3.429 1.435 8.954 1.00 0.44 H new ATOM 0 HD2 LYS B 42 4.382 -0.728 9.820 1.00 0.52 H new ATOM 0 HD3 LYS B 42 5.376 0.189 10.935 1.00 0.52 H new ATOM 0 HE2 LYS B 42 3.202 1.266 11.785 1.00 0.41 H new ATOM 0 HE3 LYS B 42 2.341 0.063 10.845 1.00 0.41 H new ATOM 0 HZ1 LYS B 42 2.623 -0.645 13.127 1.00 0.83 H new ATOM 0 HZ2 LYS B 42 3.478 -1.682 12.089 1.00 0.83 H new ATOM 0 HZ3 LYS B 42 4.312 -0.516 13.000 1.00 0.83 H new ATOM 1590 N ILE B 43 3.913 2.436 5.968 1.00 0.16 N ATOM 1591 CA ILE B 43 2.715 2.801 5.239 1.00 0.13 C ATOM 1592 C ILE B 43 1.525 1.975 5.721 1.00 0.12 C ATOM 1593 O ILE B 43 1.660 0.789 5.997 1.00 0.13 O ATOM 1594 CB ILE B 43 2.948 2.554 3.737 1.00 0.12 C ATOM 1595 CG1 ILE B 43 4.242 3.240 3.291 1.00 0.20 C ATOM 1596 CG2 ILE B 43 1.775 3.043 2.913 1.00 0.12 C ATOM 1597 CD1 ILE B 43 4.741 2.774 1.942 1.00 0.47 C ATOM 0 H ILE B 43 4.421 1.656 5.551 1.00 0.16 H new ATOM 0 HA ILE B 43 2.496 3.855 5.412 1.00 0.13 H new ATOM 0 HB ILE B 43 3.041 1.480 3.576 1.00 0.12 H new ATOM 0 HG12 ILE B 43 4.079 4.317 3.256 1.00 0.20 H new ATOM 0 HG13 ILE B 43 5.015 3.059 4.037 1.00 0.20 H new ATOM 0 HG21 ILE B 43 1.969 2.855 1.857 1.00 0.12 H new ATOM 0 HG22 ILE B 43 0.872 2.514 3.216 1.00 0.12 H new ATOM 0 HG23 ILE B 43 1.639 4.113 3.072 1.00 0.12 H new ATOM 0 HD11 ILE B 43 5.661 3.303 1.692 1.00 0.47 H new ATOM 0 HD12 ILE B 43 4.937 1.702 1.977 1.00 0.47 H new ATOM 0 HD13 ILE B 43 3.986 2.980 1.184 1.00 0.47 H new ATOM 1609 N ILE B 44 0.373 2.612 5.844 1.00 0.12 N ATOM 1610 CA ILE B 44 -0.816 1.952 6.378 1.00 0.13 C ATOM 1611 C ILE B 44 -1.987 2.116 5.415 1.00 0.12 C ATOM 1612 O ILE B 44 -2.582 3.186 5.333 1.00 0.12 O ATOM 1613 CB ILE B 44 -1.263 2.521 7.752 1.00 0.14 C ATOM 1614 CG1 ILE B 44 -0.175 3.387 8.405 1.00 0.14 C ATOM 1615 CG2 ILE B 44 -1.676 1.388 8.682 1.00 0.18 C ATOM 1616 CD1 ILE B 44 1.040 2.630 8.889 1.00 0.15 C ATOM 0 H ILE B 44 0.231 3.588 5.582 1.00 0.12 H new ATOM 0 HA ILE B 44 -0.542 0.905 6.505 1.00 0.13 H new ATOM 0 HB ILE B 44 -2.121 3.168 7.573 1.00 0.14 H new ATOM 0 HG12 ILE B 44 0.148 4.141 7.687 1.00 0.14 H new ATOM 0 HG13 ILE B 44 -0.613 3.919 9.250 1.00 0.14 H new ATOM 0 HG21 ILE B 44 -1.987 1.800 9.642 1.00 0.18 H new ATOM 0 HG22 ILE B 44 -2.505 0.837 8.238 1.00 0.18 H new ATOM 0 HG23 ILE B 44 -0.832 0.715 8.833 1.00 0.18 H new ATOM 0 HD11 ILE B 44 1.750 3.327 9.334 1.00 0.15 H new ATOM 0 HD12 ILE B 44 0.737 1.895 9.635 1.00 0.15 H new ATOM 0 HD13 ILE B 44 1.510 2.121 8.048 1.00 0.15 H new ATOM 1628 N LEU B 45 -2.318 1.068 4.686 1.00 0.13 N ATOM 1629 CA LEU B 45 -3.438 1.120 3.762 1.00 0.12 C ATOM 1630 C LEU B 45 -4.711 0.645 4.447 1.00 0.12 C ATOM 1631 O LEU B 45 -4.867 -0.538 4.748 1.00 0.12 O ATOM 1632 CB LEU B 45 -3.164 0.265 2.515 1.00 0.12 C ATOM 1633 CG LEU B 45 -2.364 0.948 1.400 1.00 0.11 C ATOM 1634 CD1 LEU B 45 -0.976 1.338 1.878 1.00 0.12 C ATOM 1635 CD2 LEU B 45 -2.266 0.037 0.187 1.00 0.12 C ATOM 0 H LEU B 45 -1.830 0.173 4.714 1.00 0.13 H new ATOM 0 HA LEU B 45 -3.567 2.156 3.448 1.00 0.12 H new ATOM 0 HB2 LEU B 45 -2.628 -0.632 2.824 1.00 0.12 H new ATOM 0 HB3 LEU B 45 -4.120 -0.060 2.104 1.00 0.12 H new ATOM 0 HG LEU B 45 -2.892 1.859 1.118 1.00 0.11 H new ATOM 0 HD11 LEU B 45 -0.433 1.820 1.065 1.00 0.12 H new ATOM 0 HD12 LEU B 45 -1.061 2.028 2.717 1.00 0.12 H new ATOM 0 HD13 LEU B 45 -0.436 0.446 2.196 1.00 0.12 H new ATOM 0 HD21 LEU B 45 -1.695 0.535 -0.597 1.00 0.12 H new ATOM 0 HD22 LEU B 45 -1.765 -0.890 0.467 1.00 0.12 H new ATOM 0 HD23 LEU B 45 -3.267 -0.188 -0.181 1.00 0.12 H new ATOM 1647 N LYS B 46 -5.607 1.571 4.713 1.00 0.15 N ATOM 1648 CA LYS B 46 -6.904 1.233 5.271 1.00 0.18 C ATOM 1649 C LYS B 46 -7.962 1.580 4.251 1.00 0.20 C ATOM 1650 O LYS B 46 -7.980 2.695 3.760 1.00 0.44 O ATOM 1651 CB LYS B 46 -7.154 2.016 6.561 1.00 0.30 C ATOM 1652 CG LYS B 46 -8.454 1.647 7.258 1.00 0.93 C ATOM 1653 CD LYS B 46 -8.919 2.753 8.185 1.00 1.04 C ATOM 1654 CE LYS B 46 -7.905 3.022 9.277 1.00 1.68 C ATOM 1655 NZ LYS B 46 -8.383 4.047 10.241 1.00 1.98 N ATOM 0 H LYS B 46 -5.463 2.568 4.552 1.00 0.15 H new ATOM 0 HA LYS B 46 -6.936 0.169 5.507 1.00 0.18 H new ATOM 0 HB2 LYS B 46 -6.324 1.845 7.246 1.00 0.30 H new ATOM 0 HB3 LYS B 46 -7.164 3.082 6.332 1.00 0.30 H new ATOM 0 HG2 LYS B 46 -9.224 1.447 6.513 1.00 0.93 H new ATOM 0 HG3 LYS B 46 -8.315 0.728 7.827 1.00 0.93 H new ATOM 0 HD2 LYS B 46 -9.088 3.664 7.611 1.00 1.04 H new ATOM 0 HD3 LYS B 46 -9.874 2.477 8.633 1.00 1.04 H new ATOM 0 HE2 LYS B 46 -7.691 2.095 9.810 1.00 1.68 H new ATOM 0 HE3 LYS B 46 -6.969 3.355 8.828 1.00 1.68 H new ATOM 0 HZ1 LYS B 46 -7.659 4.201 10.972 1.00 1.98 H new ATOM 0 HZ2 LYS B 46 -8.563 4.939 9.738 1.00 1.98 H new ATOM 0 HZ3 LYS B 46 -9.262 3.719 10.689 1.00 1.98 H new ATOM 1669 N LYS B 47 -8.822 0.626 3.928 1.00 0.18 N ATOM 1670 CA LYS B 47 -9.862 0.830 2.920 1.00 0.22 C ATOM 1671 C LYS B 47 -10.571 2.167 3.138 1.00 0.23 C ATOM 1672 O LYS B 47 -10.829 2.570 4.280 1.00 0.32 O ATOM 1673 CB LYS B 47 -10.881 -0.316 2.974 1.00 0.38 C ATOM 1674 CG LYS B 47 -11.888 -0.187 4.109 1.00 0.54 C ATOM 1675 CD LYS B 47 -12.827 -1.376 4.177 1.00 0.88 C ATOM 1676 CE LYS B 47 -12.182 -2.558 4.880 1.00 1.63 C ATOM 1677 NZ LYS B 47 -13.137 -3.683 5.068 1.00 2.20 N ATOM 0 H LYS B 47 -8.823 -0.303 4.349 1.00 0.18 H new ATOM 0 HA LYS B 47 -9.390 0.843 1.938 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -11.418 -0.358 2.027 1.00 0.38 H new ATOM 0 HB3 LYS B 47 -10.347 -1.260 3.079 1.00 0.38 H new ATOM 0 HG2 LYS B 47 -11.356 -0.091 5.056 1.00 0.54 H new ATOM 0 HG3 LYS B 47 -12.469 0.726 3.976 1.00 0.54 H new ATOM 0 HD2 LYS B 47 -13.738 -1.091 4.704 1.00 0.88 H new ATOM 0 HD3 LYS B 47 -13.120 -1.667 3.168 1.00 0.88 H new ATOM 0 HE2 LYS B 47 -11.326 -2.902 4.299 1.00 1.63 H new ATOM 0 HE3 LYS B 47 -11.802 -2.239 5.850 1.00 1.63 H new ATOM 0 HZ1 LYS B 47 -13.100 -4.009 6.055 1.00 2.20 H new ATOM 0 HZ2 LYS B 47 -14.101 -3.361 4.846 1.00 2.20 H new ATOM 0 HZ3 LYS B 47 -12.879 -4.467 4.435 1.00 2.20 H new ATOM 1691 N TYR B 48 -10.849 2.866 2.053 1.00 0.23 N ATOM 1692 CA TYR B 48 -11.547 4.133 2.137 1.00 0.31 C ATOM 1693 C TYR B 48 -12.919 3.925 2.744 1.00 0.50 C ATOM 1694 O TYR B 48 -13.567 2.906 2.502 1.00 0.60 O ATOM 1695 CB TYR B 48 -11.652 4.776 0.754 1.00 0.27 C ATOM 1696 CG TYR B 48 -12.485 6.040 0.705 1.00 0.85 C ATOM 1697 CD1 TYR B 48 -12.092 7.185 1.389 1.00 1.70 C ATOM 1698 CD2 TYR B 48 -13.662 6.089 -0.032 1.00 1.77 C ATOM 1699 CE1 TYR B 48 -12.849 8.339 1.340 1.00 2.36 C ATOM 1700 CE2 TYR B 48 -14.422 7.241 -0.087 1.00 2.45 C ATOM 1701 CZ TYR B 48 -14.012 8.362 0.600 1.00 2.50 C ATOM 1702 OH TYR B 48 -14.762 9.515 0.540 1.00 3.32 O ATOM 0 H TYR B 48 -10.602 2.578 1.106 1.00 0.23 H new ATOM 0 HA TYR B 48 -10.983 4.809 2.780 1.00 0.31 H new ATOM 0 HB2 TYR B 48 -10.648 5.005 0.398 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -12.078 4.049 0.062 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -11.180 7.172 1.968 1.00 1.70 H new ATOM 0 HD2 TYR B 48 -13.988 5.212 -0.571 1.00 1.77 H new ATOM 0 HE1 TYR B 48 -12.531 9.219 1.879 1.00 2.36 H new ATOM 0 HE2 TYR B 48 -15.333 7.263 -0.666 1.00 2.45 H new ATOM 0 HH TYR B 48 -15.549 9.364 -0.024 1.00 3.32 H new ATOM 1712 N LYS B 49 -13.348 4.883 3.544 1.00 0.60 N ATOM 1713 CA LYS B 49 -14.633 4.794 4.207 1.00 0.78 C ATOM 1714 C LYS B 49 -15.738 4.875 3.167 1.00 0.78 C ATOM 1715 O LYS B 49 -15.894 5.898 2.500 1.00 0.73 O ATOM 1716 CB LYS B 49 -14.780 5.923 5.226 1.00 0.90 C ATOM 1717 CG LYS B 49 -16.017 5.805 6.111 1.00 1.30 C ATOM 1718 CD LYS B 49 -15.999 4.537 6.950 1.00 1.31 C ATOM 1719 CE LYS B 49 -14.846 4.549 7.934 1.00 1.50 C ATOM 1720 NZ LYS B 49 -14.847 3.348 8.811 1.00 2.21 N ATOM 0 H LYS B 49 -12.823 5.733 3.750 1.00 0.60 H new ATOM 0 HA LYS B 49 -14.704 3.844 4.736 1.00 0.78 H new ATOM 0 HB2 LYS B 49 -13.893 5.944 5.860 1.00 0.90 H new ATOM 0 HB3 LYS B 49 -14.815 6.875 4.696 1.00 0.90 H new ATOM 0 HG2 LYS B 49 -16.077 6.673 6.767 1.00 1.30 H new ATOM 0 HG3 LYS B 49 -16.911 5.814 5.487 1.00 1.30 H new ATOM 0 HD2 LYS B 49 -16.941 4.441 7.490 1.00 1.31 H new ATOM 0 HD3 LYS B 49 -15.916 3.667 6.298 1.00 1.31 H new ATOM 0 HE2 LYS B 49 -13.904 4.598 7.388 1.00 1.50 H new ATOM 0 HE3 LYS B 49 -14.904 5.447 8.549 1.00 1.50 H new ATOM 0 HZ1 LYS B 49 -14.042 3.397 9.468 1.00 2.21 H new ATOM 0 HZ2 LYS B 49 -15.734 3.314 9.352 1.00 2.21 H new ATOM 0 HZ3 LYS B 49 -14.765 2.491 8.227 1.00 2.21 H new ATOM 1734 N PRO B 50 -16.527 3.799 3.016 1.00 0.89 N ATOM 1735 CA PRO B 50 -17.515 3.697 1.954 1.00 0.97 C ATOM 1736 C PRO B 50 -18.795 4.437 2.298 1.00 1.09 C ATOM 1737 O PRO B 50 -19.863 4.155 1.752 1.00 1.25 O ATOM 1738 CB PRO B 50 -17.760 2.194 1.861 1.00 1.04 C ATOM 1739 CG PRO B 50 -17.561 1.697 3.250 1.00 1.08 C ATOM 1740 CD PRO B 50 -16.533 2.602 3.881 1.00 0.99 C ATOM 0 HA PRO B 50 -17.177 4.143 1.019 1.00 0.97 H new ATOM 0 HB2 PRO B 50 -18.766 1.977 1.502 1.00 1.04 H new ATOM 0 HB3 PRO B 50 -17.065 1.721 1.167 1.00 1.04 H new ATOM 0 HG2 PRO B 50 -18.496 1.722 3.809 1.00 1.08 H new ATOM 0 HG3 PRO B 50 -17.218 0.662 3.247 1.00 1.08 H new ATOM 0 HD2 PRO B 50 -16.800 2.853 4.908 1.00 0.99 H new ATOM 0 HD3 PRO B 50 -15.552 2.129 3.913 1.00 0.99 H new ATOM 1748 N ASN B 51 -18.673 5.395 3.202 1.00 1.09 N ATOM 1749 CA ASN B 51 -19.802 6.193 3.616 1.00 1.23 C ATOM 1750 C ASN B 51 -20.131 7.228 2.554 1.00 1.30 C ATOM 1751 O ASN B 51 -19.642 8.359 2.584 1.00 1.38 O ATOM 1752 CB ASN B 51 -19.525 6.869 4.956 1.00 1.36 C ATOM 1753 CG ASN B 51 -20.678 7.741 5.425 1.00 1.53 C ATOM 1754 OD1 ASN B 51 -21.902 7.299 5.178 1.00 1.46 O flip ATOM 1755 ND2 ASN B 51 -20.464 8.786 6.041 1.00 2.26 N flip ATOM 0 H ASN B 51 -17.795 5.636 3.662 1.00 1.09 H new ATOM 0 HA ASN B 51 -20.662 5.535 3.740 1.00 1.23 H new ATOM 0 HB2 ASN B 51 -19.323 6.106 5.708 1.00 1.36 H new ATOM 0 HB3 ASN B 51 -18.625 7.479 4.871 1.00 1.36 H new ATOM 0 HD21 ASN B 51 -19.506 9.091 6.210 1.00 2.26 H new ATOM 0 HD22 ASN B 51 -21.245 9.346 6.382 1.00 2.26 H new ATOM 1762 N MET B 52 -20.918 6.803 1.589 1.00 1.45 N ATOM 1763 CA MET B 52 -21.395 7.677 0.540 1.00 1.69 C ATOM 1764 C MET B 52 -22.837 7.334 0.226 1.00 1.96 C ATOM 1765 O MET B 52 -23.141 6.259 -0.298 1.00 2.32 O ATOM 1766 CB MET B 52 -20.507 7.566 -0.707 1.00 1.99 C ATOM 1767 CG MET B 52 -20.261 6.140 -1.172 1.00 2.40 C ATOM 1768 SD MET B 52 -19.120 6.050 -2.567 1.00 2.84 S ATOM 1769 CE MET B 52 -17.643 6.765 -1.845 1.00 3.37 C ATOM 0 H MET B 52 -21.245 5.840 1.510 1.00 1.45 H new ATOM 0 HA MET B 52 -21.345 8.712 0.877 1.00 1.69 H new ATOM 0 HB2 MET B 52 -20.969 8.126 -1.520 1.00 1.99 H new ATOM 0 HB3 MET B 52 -19.547 8.039 -0.499 1.00 1.99 H new ATOM 0 HG2 MET B 52 -19.862 5.556 -0.343 1.00 2.40 H new ATOM 0 HG3 MET B 52 -21.211 5.685 -1.454 1.00 2.40 H new ATOM 0 HE1 MET B 52 -16.770 6.453 -2.418 1.00 3.37 H new ATOM 0 HE2 MET B 52 -17.719 7.852 -1.862 1.00 3.37 H new ATOM 0 HE3 MET B 52 -17.541 6.425 -0.814 1.00 3.37 H new ATOM 1779 N THR B 53 -23.726 8.236 0.577 1.00 1.96 N ATOM 1780 CA THR B 53 -25.142 7.984 0.447 1.00 2.28 C ATOM 1781 C THR B 53 -25.791 9.014 -0.471 1.00 2.56 C ATOM 1782 O THR B 53 -25.993 8.712 -1.663 1.00 2.83 O ATOM 1783 CB THR B 53 -25.828 7.994 1.826 1.00 2.44 C ATOM 1784 OG1 THR B 53 -25.460 9.176 2.549 1.00 2.57 O ATOM 1785 CG2 THR B 53 -25.445 6.766 2.637 1.00 3.04 C ATOM 1786 OXT THR B 53 -26.064 10.138 -0.005 1.00 2.96 O ATOM 0 H THR B 53 -23.491 9.154 0.956 1.00 1.96 H new ATOM 0 HA THR B 53 -25.268 6.996 0.005 1.00 2.28 H new ATOM 0 HB THR B 53 -26.906 7.982 1.665 1.00 2.44 H new ATOM 0 HG1 THR B 53 -25.523 9.954 1.957 1.00 2.57 H new ATOM 0 HG21 THR B 53 -25.944 6.800 3.606 1.00 3.04 H new ATOM 0 HG22 THR B 53 -25.751 5.867 2.102 1.00 3.04 H new ATOM 0 HG23 THR B 53 -24.365 6.750 2.785 1.00 3.04 H new TER 1794 THR B 53