USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 887 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: A 63 GLN : amide:sc= 0.22 X(o=-0.88,f=-1.1) USER MOD Set 1.2: A 67 ASN : amide:sc= -1.1 X(o=-0.88,f=-1.1) USER MOD Set 2.1: A 62 SER OG : rot -15:sc= 0.512 USER MOD Set 2.2: A 64 ASN : amide:sc= 0 X(o=0.51,f=0.48) USER MOD Set 3.1: A 45 LYS NZ :NH3+ 171:sc= 0.918 (180deg=0.518) USER MOD Set 3.2: A 46 SER OG : rot 69:sc= 1.6 USER MOD Set 4.1: A 19 GLN : amide:sc= -0.0106 K(o=0.26,f=-4!) USER MOD Set 4.2: A 23 LYS NZ :NH3+ -132:sc= 0.321 (180deg=0) USER MOD Set 4.3: A 33 THR OG1 : rot -170:sc= -0.0497 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.069 (180deg=-0.738) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= 0.847 (180deg=0.661) USER MOD Single : A 9 SER OG : rot -62:sc= 0.22 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 16 SER OG : rot -65:sc= 0.418 USER MOD Single : A 17 SER OG : rot 180:sc= 0.116 USER MOD Single : A 24 HIS : no HD1:sc= -0.331 X(o=-0.33,f=0.072) USER MOD Single : A 25 ASN : amide:sc= -0.0132 K(o=-0.013,f=-0.76) USER MOD Single : A 26 TYR OH : rot -155:sc= -0.993! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0368 X(o=-0.037,f=-0.037) USER MOD Single : A 47 MET CE :methyl -127:sc= -1.28 (180deg=-1.86) USER MOD Single : A 48 LYS NZ :NH3+ -142:sc= -0.846 (180deg=-2.98!) USER MOD Single : A 50 ASN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= -0.335 (180deg=-2.78!) USER MOD Single : A 59 ASN : amide:sc= -0.199 K(o=-0.2,f=-3.7!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.753 F(o=-2.1!,f=-0.75) USER MOD Single : A 71 ASN : amide:sc= 0.692 K(o=0.69,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.031 (180deg=-0.211) USER MOD Single : A 85 SER OG : rot -132:sc= 0.389 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 77:sc= 0.96 USER MOD Single : A 93 GLN : amide:sc= -1.04 K(o=-1,f=-3.5!) USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.107) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 44:sc= 0.249 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.035 K(o=-0.035,f=-0.88) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.9) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.874 16.064 -1.084 1.00 0.00 N ATOM 2 CA MET A 1 5.080 15.686 0.335 1.00 52.33 C ATOM 3 C MET A 1 5.220 14.159 0.442 1.00 42.24 C ATOM 4 O MET A 1 6.248 13.649 0.906 1.00 45.35 O ATOM 5 CB MET A 1 3.913 16.200 1.227 1.00 43.31 C ATOM 6 CG MET A 1 3.692 17.717 1.153 1.00 51.03 C ATOM 7 SD MET A 1 5.194 18.650 1.531 1.00 73.24 S ATOM 8 CE MET A 1 4.650 20.339 1.280 1.00 22.42 C ATOM 0 H1 MET A 1 4.419 16.998 -1.132 1.00 0.00 H new ATOM 0 H2 MET A 1 5.793 16.101 -1.570 1.00 0.00 H new ATOM 0 H3 MET A 1 4.265 15.359 -1.546 1.00 0.00 H new ATOM 0 HA MET A 1 5.996 16.155 0.696 1.00 52.33 H new ATOM 0 HB2 MET A 1 2.994 15.694 0.932 1.00 43.31 H new ATOM 0 HB3 MET A 1 4.111 15.922 2.262 1.00 43.31 H new ATOM 0 HG2 MET A 1 3.344 17.983 0.155 1.00 51.03 H new ATOM 0 HG3 MET A 1 2.905 18.002 1.851 1.00 51.03 H new ATOM 0 HE1 MET A 1 5.477 21.021 1.479 1.00 22.42 H new ATOM 0 HE2 MET A 1 4.316 20.464 0.250 1.00 22.42 H new ATOM 0 HE3 MET A 1 3.826 20.561 1.958 1.00 22.42 H new ATOM 20 N GLY A 2 4.173 13.440 -0.017 1.00 33.31 N ATOM 21 CA GLY A 2 4.156 11.978 -0.018 1.00 54.34 C ATOM 22 C GLY A 2 3.347 11.407 1.147 1.00 44.10 C ATOM 23 O GLY A 2 3.699 11.622 2.311 1.00 61.22 O ATOM 0 H GLY A 2 3.324 13.863 -0.393 1.00 33.31 H new ATOM 0 HA2 GLY A 2 3.735 11.622 -0.959 1.00 54.34 H new ATOM 0 HA3 GLY A 2 5.179 11.605 0.035 1.00 54.34 H new ATOM 27 N LYS A 3 2.261 10.689 0.820 1.00 12.23 N ATOM 28 CA LYS A 3 1.389 9.999 1.792 1.00 52.45 C ATOM 29 C LYS A 3 0.973 8.659 1.170 1.00 44.45 C ATOM 30 O LYS A 3 0.580 8.628 0.013 1.00 43.43 O ATOM 31 CB LYS A 3 0.147 10.867 2.133 1.00 63.24 C ATOM 32 CG LYS A 3 -0.853 10.225 3.130 1.00 34.11 C ATOM 33 CD LYS A 3 -2.088 11.124 3.412 1.00 63.22 C ATOM 34 CE LYS A 3 -3.168 10.423 4.262 1.00 54.21 C ATOM 35 NZ LYS A 3 -2.665 9.985 5.590 1.00 51.01 N ATOM 0 H LYS A 3 1.956 10.568 -0.146 1.00 12.23 H new ATOM 0 HA LYS A 3 1.922 9.829 2.728 1.00 52.45 H new ATOM 0 HB2 LYS A 3 0.489 11.816 2.546 1.00 63.24 H new ATOM 0 HB3 LYS A 3 -0.382 11.095 1.208 1.00 63.24 H new ATOM 0 HG2 LYS A 3 -1.190 9.268 2.733 1.00 34.11 H new ATOM 0 HG3 LYS A 3 -0.339 10.017 4.069 1.00 34.11 H new ATOM 0 HD2 LYS A 3 -1.761 12.029 3.925 1.00 63.22 H new ATOM 0 HD3 LYS A 3 -2.526 11.436 2.464 1.00 63.22 H new ATOM 0 HE2 LYS A 3 -4.009 11.102 4.404 1.00 54.21 H new ATOM 0 HE3 LYS A 3 -3.545 9.557 3.718 1.00 54.21 H new ATOM 0 HZ1 LYS A 3 -3.470 9.806 6.224 1.00 51.01 H new ATOM 0 HZ2 LYS A 3 -2.110 9.113 5.480 1.00 51.01 H new ATOM 0 HZ3 LYS A 3 -2.063 10.730 5.996 1.00 51.01 H new ATOM 49 N VAL A 4 1.066 7.551 1.918 1.00 51.41 N ATOM 50 CA VAL A 4 0.816 6.205 1.360 1.00 12.01 C ATOM 51 C VAL A 4 0.034 5.327 2.345 1.00 22.44 C ATOM 52 O VAL A 4 0.135 5.500 3.555 1.00 43.23 O ATOM 53 CB VAL A 4 2.157 5.505 0.925 1.00 34.14 C ATOM 54 CG1 VAL A 4 3.093 5.233 2.108 1.00 0.24 C ATOM 55 CG2 VAL A 4 1.901 4.228 0.105 1.00 15.02 C ATOM 0 H VAL A 4 1.311 7.555 2.908 1.00 51.41 H new ATOM 0 HA VAL A 4 0.203 6.333 0.468 1.00 12.01 H new ATOM 0 HB VAL A 4 2.671 6.214 0.276 1.00 34.14 H new ATOM 0 HG11 VAL A 4 4.002 4.749 1.749 1.00 0.24 H new ATOM 0 HG12 VAL A 4 3.350 6.175 2.592 1.00 0.24 H new ATOM 0 HG13 VAL A 4 2.594 4.581 2.825 1.00 0.24 H new ATOM 0 HG21 VAL A 4 2.854 3.778 -0.174 1.00 15.02 H new ATOM 0 HG22 VAL A 4 1.327 3.521 0.703 1.00 15.02 H new ATOM 0 HG23 VAL A 4 1.341 4.480 -0.796 1.00 15.02 H new ATOM 65 N LEU A 5 -0.789 4.414 1.792 1.00 43.02 N ATOM 66 CA LEU A 5 -1.565 3.434 2.564 1.00 20.22 C ATOM 67 C LEU A 5 -0.943 2.041 2.370 1.00 43.25 C ATOM 68 O LEU A 5 -1.142 1.409 1.328 1.00 23.31 O ATOM 69 CB LEU A 5 -3.051 3.440 2.100 1.00 13.21 C ATOM 70 CG LEU A 5 -4.039 2.553 2.931 1.00 65.32 C ATOM 71 CD1 LEU A 5 -4.113 3.009 4.407 1.00 51.42 C ATOM 72 CD2 LEU A 5 -5.447 2.509 2.277 1.00 53.42 C ATOM 0 H LEU A 5 -0.932 4.339 0.785 1.00 43.02 H new ATOM 0 HA LEU A 5 -1.541 3.696 3.622 1.00 20.22 H new ATOM 0 HB2 LEU A 5 -3.413 4.468 2.122 1.00 13.21 H new ATOM 0 HB3 LEU A 5 -3.087 3.112 1.061 1.00 13.21 H new ATOM 0 HG LEU A 5 -3.644 1.537 2.928 1.00 65.32 H new ATOM 0 HD11 LEU A 5 -4.808 2.370 4.951 1.00 51.42 H new ATOM 0 HD12 LEU A 5 -3.124 2.937 4.860 1.00 51.42 H new ATOM 0 HD13 LEU A 5 -4.459 4.042 4.452 1.00 51.42 H new ATOM 0 HD21 LEU A 5 -6.108 1.885 2.878 1.00 53.42 H new ATOM 0 HD22 LEU A 5 -5.853 3.519 2.220 1.00 53.42 H new ATOM 0 HD23 LEU A 5 -5.369 2.092 1.273 1.00 53.42 H new ATOM 84 N LEU A 6 -0.144 1.602 3.356 1.00 45.44 N ATOM 85 CA LEU A 6 0.448 0.255 3.362 1.00 35.21 C ATOM 86 C LEU A 6 -0.629 -0.773 3.789 1.00 74.12 C ATOM 87 O LEU A 6 -0.829 -1.030 4.977 1.00 33.53 O ATOM 88 CB LEU A 6 1.677 0.222 4.330 1.00 44.50 C ATOM 89 CG LEU A 6 2.478 -1.123 4.389 1.00 33.23 C ATOM 90 CD1 LEU A 6 3.133 -1.446 3.033 1.00 13.10 C ATOM 91 CD2 LEU A 6 3.523 -1.116 5.537 1.00 14.45 C ATOM 0 H LEU A 6 0.108 2.167 4.167 1.00 45.44 H new ATOM 0 HA LEU A 6 0.798 -0.004 2.363 1.00 35.21 H new ATOM 0 HB2 LEU A 6 2.364 1.017 4.038 1.00 44.50 H new ATOM 0 HB3 LEU A 6 1.327 0.456 5.335 1.00 44.50 H new ATOM 0 HG LEU A 6 1.764 -1.917 4.606 1.00 33.23 H new ATOM 0 HD11 LEU A 6 3.681 -2.385 3.108 1.00 13.10 H new ATOM 0 HD12 LEU A 6 2.361 -1.536 2.268 1.00 13.10 H new ATOM 0 HD13 LEU A 6 3.821 -0.645 2.761 1.00 13.10 H new ATOM 0 HD21 LEU A 6 4.059 -2.065 5.547 1.00 14.45 H new ATOM 0 HD22 LEU A 6 4.230 -0.301 5.380 1.00 14.45 H new ATOM 0 HD23 LEU A 6 3.015 -0.977 6.491 1.00 14.45 H new ATOM 103 N VAL A 7 -1.331 -1.322 2.788 1.00 12.14 N ATOM 104 CA VAL A 7 -2.364 -2.357 2.970 1.00 23.31 C ATOM 105 C VAL A 7 -1.691 -3.733 3.130 1.00 43.00 C ATOM 106 O VAL A 7 -1.106 -4.261 2.172 1.00 52.24 O ATOM 107 CB VAL A 7 -3.362 -2.396 1.742 1.00 33.42 C ATOM 108 CG1 VAL A 7 -4.469 -3.465 1.936 1.00 71.14 C ATOM 109 CG2 VAL A 7 -3.971 -1.002 1.477 1.00 22.30 C ATOM 0 H VAL A 7 -1.196 -1.057 1.812 1.00 12.14 H new ATOM 0 HA VAL A 7 -2.936 -2.114 3.866 1.00 23.31 H new ATOM 0 HB VAL A 7 -2.786 -2.683 0.862 1.00 33.42 H new ATOM 0 HG11 VAL A 7 -5.134 -3.461 1.072 1.00 71.14 H new ATOM 0 HG12 VAL A 7 -4.011 -4.449 2.037 1.00 71.14 H new ATOM 0 HG13 VAL A 7 -5.041 -3.237 2.835 1.00 71.14 H new ATOM 0 HG21 VAL A 7 -4.653 -1.058 0.628 1.00 22.30 H new ATOM 0 HG22 VAL A 7 -4.517 -0.670 2.360 1.00 22.30 H new ATOM 0 HG23 VAL A 7 -3.174 -0.293 1.256 1.00 22.30 H new ATOM 119 N ILE A 8 -1.750 -4.281 4.358 1.00 12.53 N ATOM 120 CA ILE A 8 -1.264 -5.631 4.675 1.00 4.24 C ATOM 121 C ILE A 8 -2.469 -6.551 4.944 1.00 72.33 C ATOM 122 O ILE A 8 -3.318 -6.241 5.793 1.00 51.52 O ATOM 123 CB ILE A 8 -0.316 -5.647 5.940 1.00 2.42 C ATOM 124 CG1 ILE A 8 0.779 -4.535 5.842 1.00 62.20 C ATOM 125 CG2 ILE A 8 0.332 -7.052 6.126 1.00 73.24 C ATOM 126 CD1 ILE A 8 1.779 -4.523 6.983 1.00 4.05 C ATOM 0 H ILE A 8 -2.141 -3.792 5.163 1.00 12.53 H new ATOM 0 HA ILE A 8 -0.686 -5.981 3.820 1.00 4.24 H new ATOM 0 HB ILE A 8 -0.926 -5.434 6.818 1.00 2.42 H new ATOM 0 HG12 ILE A 8 1.321 -4.660 4.904 1.00 62.20 H new ATOM 0 HG13 ILE A 8 0.287 -3.563 5.799 1.00 62.20 H new ATOM 0 HG21 ILE A 8 0.980 -7.041 7.002 1.00 73.24 H new ATOM 0 HG22 ILE A 8 -0.450 -7.798 6.263 1.00 73.24 H new ATOM 0 HG23 ILE A 8 0.920 -7.301 5.243 1.00 73.24 H new ATOM 0 HD11 ILE A 8 2.498 -3.719 6.828 1.00 4.05 H new ATOM 0 HD12 ILE A 8 1.254 -4.364 7.925 1.00 4.05 H new ATOM 0 HD13 ILE A 8 2.304 -5.478 7.017 1.00 4.05 H new ATOM 138 N SER A 9 -2.549 -7.656 4.196 1.00 31.30 N ATOM 139 CA SER A 9 -3.489 -8.750 4.459 1.00 34.23 C ATOM 140 C SER A 9 -2.728 -10.071 4.354 1.00 40.30 C ATOM 141 O SER A 9 -1.753 -10.177 3.590 1.00 21.22 O ATOM 142 CB SER A 9 -4.667 -8.717 3.451 1.00 14.14 C ATOM 143 OG SER A 9 -5.289 -7.442 3.418 1.00 1.11 O ATOM 0 H SER A 9 -1.956 -7.818 3.382 1.00 31.30 H new ATOM 0 HA SER A 9 -3.911 -8.642 5.458 1.00 34.23 H new ATOM 0 HB2 SER A 9 -4.302 -8.971 2.456 1.00 14.14 H new ATOM 0 HB3 SER A 9 -5.402 -9.474 3.724 1.00 14.14 H new ATOM 0 HG SER A 9 -5.672 -7.242 4.297 1.00 1.11 H new ATOM 149 N THR A 10 -3.159 -11.067 5.132 1.00 13.00 N ATOM 150 CA THR A 10 -2.584 -12.417 5.074 1.00 63.20 C ATOM 151 C THR A 10 -2.975 -13.096 3.739 1.00 22.14 C ATOM 152 O THR A 10 -2.195 -13.854 3.157 1.00 4.20 O ATOM 153 CB THR A 10 -3.070 -13.270 6.297 1.00 13.34 C ATOM 154 OG1 THR A 10 -2.873 -12.523 7.512 1.00 13.51 O ATOM 155 CG2 THR A 10 -2.324 -14.615 6.405 1.00 15.23 C ATOM 0 H THR A 10 -3.910 -10.964 5.815 1.00 13.00 H new ATOM 0 HA THR A 10 -1.497 -12.345 5.123 1.00 63.20 H new ATOM 0 HB THR A 10 -4.127 -13.486 6.145 1.00 13.34 H new ATOM 0 HG1 THR A 10 -3.178 -13.055 8.276 1.00 13.51 H new ATOM 0 HG21 THR A 10 -2.696 -15.169 7.267 1.00 15.23 H new ATOM 0 HG22 THR A 10 -2.492 -15.198 5.499 1.00 15.23 H new ATOM 0 HG23 THR A 10 -1.257 -14.430 6.525 1.00 15.23 H new ATOM 163 N ASP A 11 -4.190 -12.772 3.265 1.00 21.02 N ATOM 164 CA ASP A 11 -4.770 -13.322 2.032 1.00 35.31 C ATOM 165 C ASP A 11 -4.365 -12.478 0.816 1.00 71.12 C ATOM 166 O ASP A 11 -4.848 -11.353 0.652 1.00 2.34 O ATOM 167 CB ASP A 11 -6.310 -13.355 2.133 1.00 3.22 C ATOM 168 CG ASP A 11 -6.796 -14.103 3.370 1.00 65.03 C ATOM 169 OD1 ASP A 11 -6.884 -13.479 4.443 1.00 35.54 O ATOM 170 OD2 ASP A 11 -7.057 -15.321 3.291 1.00 43.12 O ATOM 0 H ASP A 11 -4.805 -12.109 3.737 1.00 21.02 H new ATOM 0 HA ASP A 11 -4.389 -14.336 1.906 1.00 35.31 H new ATOM 0 HB2 ASP A 11 -6.692 -12.334 2.156 1.00 3.22 H new ATOM 0 HB3 ASP A 11 -6.720 -13.829 1.241 1.00 3.22 H new ATOM 175 N THR A 12 -3.495 -13.048 -0.028 1.00 34.13 N ATOM 176 CA THR A 12 -3.089 -12.460 -1.317 1.00 34.43 C ATOM 177 C THR A 12 -4.273 -12.400 -2.307 1.00 71.43 C ATOM 178 O THR A 12 -4.302 -11.543 -3.197 1.00 44.52 O ATOM 179 CB THR A 12 -1.925 -13.285 -1.945 1.00 65.33 C ATOM 180 OG1 THR A 12 -2.308 -14.669 -2.053 1.00 4.41 O ATOM 181 CG2 THR A 12 -0.636 -13.188 -1.120 1.00 4.30 C ATOM 0 H THR A 12 -3.046 -13.943 0.166 1.00 34.13 H new ATOM 0 HA THR A 12 -2.751 -11.442 -1.123 1.00 34.43 H new ATOM 0 HB THR A 12 -1.729 -12.865 -2.932 1.00 65.33 H new ATOM 0 HG1 THR A 12 -1.573 -15.182 -2.450 1.00 4.41 H new ATOM 0 HG21 THR A 12 0.146 -13.779 -1.597 1.00 4.30 H new ATOM 0 HG22 THR A 12 -0.319 -12.147 -1.061 1.00 4.30 H new ATOM 0 HG23 THR A 12 -0.818 -13.570 -0.115 1.00 4.30 H new ATOM 189 N ASN A 13 -5.228 -13.330 -2.130 1.00 54.13 N ATOM 190 CA ASN A 13 -6.471 -13.399 -2.925 1.00 23.35 C ATOM 191 C ASN A 13 -7.330 -12.133 -2.713 1.00 4.15 C ATOM 192 O ASN A 13 -7.857 -11.556 -3.673 1.00 43.13 O ATOM 193 CB ASN A 13 -7.296 -14.662 -2.546 1.00 52.40 C ATOM 194 CG ASN A 13 -6.544 -15.987 -2.731 1.00 61.02 C ATOM 195 OD1 ASN A 13 -5.657 -16.116 -3.572 1.00 31.13 O ATOM 196 ND2 ASN A 13 -6.905 -16.987 -1.937 1.00 13.13 N ATOM 0 H ASN A 13 -5.160 -14.063 -1.424 1.00 54.13 H new ATOM 0 HA ASN A 13 -6.191 -13.461 -3.976 1.00 23.35 H new ATOM 0 HB2 ASN A 13 -7.610 -14.578 -1.505 1.00 52.40 H new ATOM 0 HB3 ASN A 13 -8.202 -14.685 -3.151 1.00 52.40 H new ATOM 0 HD21 ASN A 13 -6.443 -17.893 -2.015 1.00 13.13 H new ATOM 0 HD22 ASN A 13 -7.645 -16.850 -1.248 1.00 13.13 H new ATOM 203 N ILE A 14 -7.448 -11.713 -1.435 1.00 43.20 N ATOM 204 CA ILE A 14 -8.194 -10.499 -1.048 1.00 1.10 C ATOM 205 C ILE A 14 -7.452 -9.236 -1.530 1.00 53.23 C ATOM 206 O ILE A 14 -8.070 -8.333 -2.092 1.00 70.53 O ATOM 207 CB ILE A 14 -8.429 -10.441 0.512 1.00 65.43 C ATOM 208 CG1 ILE A 14 -9.289 -11.656 0.999 1.00 1.42 C ATOM 209 CG2 ILE A 14 -9.074 -9.104 0.947 1.00 12.21 C ATOM 210 CD1 ILE A 14 -10.666 -11.780 0.359 1.00 30.23 C ATOM 0 H ILE A 14 -7.030 -12.205 -0.646 1.00 43.20 H new ATOM 0 HA ILE A 14 -9.171 -10.538 -1.530 1.00 1.10 H new ATOM 0 HB ILE A 14 -7.450 -10.503 0.987 1.00 65.43 H new ATOM 0 HG12 ILE A 14 -8.733 -12.574 0.806 1.00 1.42 H new ATOM 0 HG13 ILE A 14 -9.414 -11.581 2.079 1.00 1.42 H new ATOM 0 HG21 ILE A 14 -9.219 -9.104 2.027 1.00 12.21 H new ATOM 0 HG22 ILE A 14 -8.420 -8.277 0.669 1.00 12.21 H new ATOM 0 HG23 ILE A 14 -10.038 -8.987 0.452 1.00 12.21 H new ATOM 0 HD11 ILE A 14 -11.179 -12.652 0.765 1.00 30.23 H new ATOM 0 HD12 ILE A 14 -11.249 -10.884 0.573 1.00 30.23 H new ATOM 0 HD13 ILE A 14 -10.557 -11.892 -0.720 1.00 30.23 H new ATOM 222 N ILE A 15 -6.123 -9.209 -1.310 1.00 42.45 N ATOM 223 CA ILE A 15 -5.222 -8.121 -1.767 1.00 61.45 C ATOM 224 C ILE A 15 -5.408 -7.840 -3.276 1.00 22.42 C ATOM 225 O ILE A 15 -5.609 -6.683 -3.691 1.00 12.14 O ATOM 226 CB ILE A 15 -3.720 -8.509 -1.458 1.00 55.11 C ATOM 227 CG1 ILE A 15 -3.472 -8.525 0.079 1.00 33.34 C ATOM 228 CG2 ILE A 15 -2.710 -7.587 -2.168 1.00 74.13 C ATOM 229 CD1 ILE A 15 -2.109 -9.033 0.501 1.00 33.45 C ATOM 0 H ILE A 15 -5.635 -9.948 -0.805 1.00 42.45 H new ATOM 0 HA ILE A 15 -5.477 -7.210 -1.226 1.00 61.45 H new ATOM 0 HB ILE A 15 -3.558 -9.511 -1.856 1.00 55.11 H new ATOM 0 HG12 ILE A 15 -3.601 -7.513 0.463 1.00 33.34 H new ATOM 0 HG13 ILE A 15 -4.236 -9.145 0.549 1.00 33.34 H new ATOM 0 HG21 ILE A 15 -1.696 -7.899 -1.920 1.00 74.13 H new ATOM 0 HG22 ILE A 15 -2.856 -7.650 -3.246 1.00 74.13 H new ATOM 0 HG23 ILE A 15 -2.863 -6.559 -1.840 1.00 74.13 H new ATOM 0 HD11 ILE A 15 -2.031 -9.006 1.588 1.00 33.45 H new ATOM 0 HD12 ILE A 15 -1.979 -10.058 0.153 1.00 33.45 H new ATOM 0 HD13 ILE A 15 -1.335 -8.401 0.066 1.00 33.45 H new ATOM 241 N SER A 16 -5.401 -8.930 -4.062 1.00 11.14 N ATOM 242 CA SER A 16 -5.569 -8.885 -5.517 1.00 4.54 C ATOM 243 C SER A 16 -6.969 -8.348 -5.864 1.00 64.51 C ATOM 244 O SER A 16 -7.091 -7.391 -6.630 1.00 64.25 O ATOM 245 CB SER A 16 -5.355 -10.301 -6.111 1.00 0.25 C ATOM 246 OG SER A 16 -5.387 -10.298 -7.532 1.00 74.51 O ATOM 0 H SER A 16 -5.277 -9.875 -3.697 1.00 11.14 H new ATOM 0 HA SER A 16 -4.828 -8.214 -5.951 1.00 4.54 H new ATOM 0 HB2 SER A 16 -4.397 -10.694 -5.772 1.00 0.25 H new ATOM 0 HB3 SER A 16 -6.127 -10.972 -5.733 1.00 0.25 H new ATOM 0 HG SER A 16 -6.285 -10.051 -7.838 1.00 74.51 H new ATOM 252 N SER A 17 -8.006 -8.940 -5.229 1.00 42.20 N ATOM 253 CA SER A 17 -9.420 -8.631 -5.515 1.00 74.34 C ATOM 254 C SER A 17 -9.726 -7.136 -5.308 1.00 73.41 C ATOM 255 O SER A 17 -10.256 -6.476 -6.206 1.00 4.41 O ATOM 256 CB SER A 17 -10.353 -9.494 -4.635 1.00 43.12 C ATOM 257 OG SER A 17 -11.716 -9.325 -5.003 1.00 73.14 O ATOM 0 H SER A 17 -7.883 -9.646 -4.503 1.00 42.20 H new ATOM 0 HA SER A 17 -9.602 -8.868 -6.563 1.00 74.34 H new ATOM 0 HB2 SER A 17 -10.076 -10.544 -4.730 1.00 43.12 H new ATOM 0 HB3 SER A 17 -10.221 -9.223 -3.588 1.00 43.12 H new ATOM 0 HG SER A 17 -12.281 -9.884 -4.430 1.00 73.14 H new ATOM 263 N VAL A 18 -9.332 -6.616 -4.133 1.00 43.23 N ATOM 264 CA VAL A 18 -9.542 -5.205 -3.749 1.00 34.13 C ATOM 265 C VAL A 18 -8.801 -4.255 -4.698 1.00 30.11 C ATOM 266 O VAL A 18 -9.370 -3.256 -5.133 1.00 22.51 O ATOM 267 CB VAL A 18 -9.070 -4.931 -2.272 1.00 54.44 C ATOM 268 CG1 VAL A 18 -9.192 -3.430 -1.888 1.00 33.32 C ATOM 269 CG2 VAL A 18 -9.847 -5.822 -1.285 1.00 32.12 C ATOM 0 H VAL A 18 -8.856 -7.164 -3.417 1.00 43.23 H new ATOM 0 HA VAL A 18 -10.614 -5.018 -3.818 1.00 34.13 H new ATOM 0 HB VAL A 18 -8.012 -5.187 -2.212 1.00 54.44 H new ATOM 0 HG11 VAL A 18 -8.855 -3.289 -0.861 1.00 33.32 H new ATOM 0 HG12 VAL A 18 -8.574 -2.832 -2.558 1.00 33.32 H new ATOM 0 HG13 VAL A 18 -10.232 -3.115 -1.975 1.00 33.32 H new ATOM 0 HG21 VAL A 18 -9.509 -5.620 -0.269 1.00 32.12 H new ATOM 0 HG22 VAL A 18 -10.913 -5.607 -1.362 1.00 32.12 H new ATOM 0 HG23 VAL A 18 -9.670 -6.871 -1.525 1.00 32.12 H new ATOM 279 N GLN A 19 -7.536 -4.595 -5.014 1.00 62.21 N ATOM 280 CA GLN A 19 -6.683 -3.774 -5.894 1.00 34.44 C ATOM 281 C GLN A 19 -7.305 -3.631 -7.303 1.00 61.44 C ATOM 282 O GLN A 19 -7.327 -2.532 -7.872 1.00 62.14 O ATOM 283 CB GLN A 19 -5.265 -4.389 -5.990 1.00 72.50 C ATOM 284 CG GLN A 19 -4.292 -3.589 -6.876 1.00 72.20 C ATOM 285 CD GLN A 19 -2.916 -4.229 -7.070 1.00 62.54 C ATOM 286 OE1 GLN A 19 -2.317 -4.092 -8.136 1.00 74.15 O ATOM 287 NE2 GLN A 19 -2.386 -4.891 -6.047 1.00 22.20 N ATOM 0 H GLN A 19 -7.080 -5.440 -4.669 1.00 62.21 H new ATOM 0 HA GLN A 19 -6.608 -2.778 -5.459 1.00 34.44 H new ATOM 0 HB2 GLN A 19 -4.846 -4.467 -4.987 1.00 72.50 H new ATOM 0 HB3 GLN A 19 -5.346 -5.403 -6.381 1.00 72.50 H new ATOM 0 HG2 GLN A 19 -4.750 -3.446 -7.855 1.00 72.20 H new ATOM 0 HG3 GLN A 19 -4.157 -2.599 -6.439 1.00 72.20 H new ATOM 0 HE21 GLN A 19 -2.908 -4.987 -5.176 1.00 22.20 H new ATOM 0 HE22 GLN A 19 -1.457 -5.303 -6.133 1.00 22.20 H new ATOM 296 N GLU A 20 -7.830 -4.755 -7.827 1.00 30.45 N ATOM 297 CA GLU A 20 -8.494 -4.815 -9.144 1.00 51.14 C ATOM 298 C GLU A 20 -9.748 -3.929 -9.148 1.00 33.23 C ATOM 299 O GLU A 20 -9.888 -3.044 -10.007 1.00 25.00 O ATOM 300 CB GLU A 20 -8.865 -6.281 -9.495 1.00 61.05 C ATOM 301 CG GLU A 20 -7.650 -7.205 -9.702 1.00 1.12 C ATOM 302 CD GLU A 20 -8.049 -8.676 -9.870 1.00 32.41 C ATOM 303 OE1 GLU A 20 -8.510 -9.058 -10.966 1.00 51.24 O ATOM 304 OE2 GLU A 20 -7.924 -9.455 -8.905 1.00 23.14 O ATOM 0 H GLU A 20 -7.805 -5.654 -7.345 1.00 30.45 H new ATOM 0 HA GLU A 20 -7.803 -4.443 -9.900 1.00 51.14 H new ATOM 0 HB2 GLU A 20 -9.486 -6.688 -8.697 1.00 61.05 H new ATOM 0 HB3 GLU A 20 -9.469 -6.284 -10.402 1.00 61.05 H new ATOM 0 HG2 GLU A 20 -7.097 -6.880 -10.583 1.00 1.12 H new ATOM 0 HG3 GLU A 20 -6.977 -7.110 -8.850 1.00 1.12 H new ATOM 311 N ARG A 21 -10.614 -4.143 -8.135 1.00 71.33 N ATOM 312 CA ARG A 21 -11.857 -3.367 -7.940 1.00 52.11 C ATOM 313 C ARG A 21 -11.544 -1.871 -7.847 1.00 63.54 C ATOM 314 O ARG A 21 -12.217 -1.056 -8.455 1.00 23.44 O ATOM 315 CB ARG A 21 -12.597 -3.823 -6.649 1.00 33.52 C ATOM 316 CG ARG A 21 -13.077 -5.286 -6.671 1.00 45.10 C ATOM 317 CD ARG A 21 -13.676 -5.749 -5.331 1.00 21.11 C ATOM 318 NE ARG A 21 -13.952 -7.204 -5.327 1.00 43.44 N ATOM 319 CZ ARG A 21 -15.103 -7.780 -4.938 1.00 14.33 C ATOM 320 NH1 ARG A 21 -16.131 -7.046 -4.523 1.00 65.21 N ATOM 321 NH2 ARG A 21 -15.215 -9.098 -4.964 1.00 34.50 N ATOM 0 H ARG A 21 -10.470 -4.862 -7.426 1.00 71.33 H new ATOM 0 HA ARG A 21 -12.503 -3.547 -8.799 1.00 52.11 H new ATOM 0 HB2 ARG A 21 -11.932 -3.685 -5.796 1.00 33.52 H new ATOM 0 HB3 ARG A 21 -13.458 -3.174 -6.490 1.00 33.52 H new ATOM 0 HG2 ARG A 21 -13.824 -5.404 -7.456 1.00 45.10 H new ATOM 0 HG3 ARG A 21 -12.238 -5.933 -6.929 1.00 45.10 H new ATOM 0 HD2 ARG A 21 -12.987 -5.507 -4.522 1.00 21.11 H new ATOM 0 HD3 ARG A 21 -14.599 -5.203 -5.137 1.00 21.11 H new ATOM 0 HE ARG A 21 -13.206 -7.822 -5.646 1.00 43.44 H new ATOM 0 HH11 ARG A 21 -16.054 -6.029 -4.496 1.00 65.21 H new ATOM 0 HH12 ARG A 21 -16.997 -7.500 -4.232 1.00 65.21 H new ATOM 0 HH21 ARG A 21 -14.431 -9.670 -5.278 1.00 34.50 H new ATOM 0 HH22 ARG A 21 -16.085 -9.542 -4.670 1.00 34.50 H new ATOM 335 N ALA A 22 -10.454 -1.556 -7.132 1.00 31.52 N ATOM 336 CA ALA A 22 -10.030 -0.184 -6.856 1.00 51.53 C ATOM 337 C ALA A 22 -9.571 0.531 -8.141 1.00 34.02 C ATOM 338 O ALA A 22 -9.865 1.701 -8.339 1.00 30.30 O ATOM 339 CB ALA A 22 -8.920 -0.181 -5.792 1.00 71.31 C ATOM 0 H ALA A 22 -9.837 -2.259 -6.726 1.00 31.52 H new ATOM 0 HA ALA A 22 -10.885 0.369 -6.468 1.00 51.53 H new ATOM 0 HB1 ALA A 22 -8.610 0.845 -5.592 1.00 71.31 H new ATOM 0 HB2 ALA A 22 -9.295 -0.632 -4.873 1.00 71.31 H new ATOM 0 HB3 ALA A 22 -8.067 -0.754 -6.155 1.00 71.31 H new ATOM 345 N LYS A 23 -8.878 -0.193 -9.030 1.00 41.23 N ATOM 346 CA LYS A 23 -8.437 0.367 -10.326 1.00 63.20 C ATOM 347 C LYS A 23 -9.644 0.614 -11.262 1.00 25.22 C ATOM 348 O LYS A 23 -9.674 1.610 -11.996 1.00 41.11 O ATOM 349 CB LYS A 23 -7.391 -0.561 -11.000 1.00 34.25 C ATOM 350 CG LYS A 23 -6.063 -0.685 -10.214 1.00 24.31 C ATOM 351 CD LYS A 23 -5.044 -1.617 -10.904 1.00 61.15 C ATOM 352 CE LYS A 23 -3.747 -1.766 -10.096 1.00 42.23 C ATOM 353 NZ LYS A 23 -2.757 -2.652 -10.772 1.00 45.24 N ATOM 0 H LYS A 23 -8.609 -1.165 -8.881 1.00 41.23 H new ATOM 0 HA LYS A 23 -7.961 1.329 -10.134 1.00 63.20 H new ATOM 0 HB2 LYS A 23 -7.825 -1.554 -11.120 1.00 34.25 H new ATOM 0 HB3 LYS A 23 -7.176 -0.184 -12.000 1.00 34.25 H new ATOM 0 HG2 LYS A 23 -5.622 0.305 -10.097 1.00 24.31 H new ATOM 0 HG3 LYS A 23 -6.273 -1.061 -9.213 1.00 24.31 H new ATOM 0 HD2 LYS A 23 -5.494 -2.599 -11.048 1.00 61.15 H new ATOM 0 HD3 LYS A 23 -4.809 -1.225 -11.894 1.00 61.15 H new ATOM 0 HE2 LYS A 23 -3.304 -0.782 -9.940 1.00 42.23 H new ATOM 0 HE3 LYS A 23 -3.980 -2.170 -9.111 1.00 42.23 H new ATOM 0 HZ1 LYS A 23 -2.387 -3.344 -10.089 1.00 45.24 H new ATOM 0 HZ2 LYS A 23 -3.219 -3.153 -11.557 1.00 45.24 H new ATOM 0 HZ3 LYS A 23 -1.973 -2.078 -11.142 1.00 45.24 H new ATOM 367 N HIS A 24 -10.642 -0.290 -11.210 1.00 42.12 N ATOM 368 CA HIS A 24 -11.865 -0.187 -12.039 1.00 13.44 C ATOM 369 C HIS A 24 -12.845 0.874 -11.487 1.00 73.25 C ATOM 370 O HIS A 24 -13.589 1.499 -12.254 1.00 2.33 O ATOM 371 CB HIS A 24 -12.568 -1.567 -12.155 1.00 62.03 C ATOM 372 CG HIS A 24 -11.828 -2.568 -13.012 1.00 14.34 C ATOM 373 ND1 HIS A 24 -11.773 -2.481 -14.388 1.00 55.25 N ATOM 374 CD2 HIS A 24 -11.104 -3.665 -12.688 1.00 52.44 C ATOM 375 CE1 HIS A 24 -11.056 -3.477 -14.863 1.00 23.10 C ATOM 376 NE2 HIS A 24 -10.637 -4.208 -13.854 1.00 1.45 N ATOM 0 H HIS A 24 -10.627 -1.106 -10.599 1.00 42.12 H new ATOM 0 HA HIS A 24 -11.557 0.134 -13.034 1.00 13.44 H new ATOM 0 HB2 HIS A 24 -12.694 -1.984 -11.156 1.00 62.03 H new ATOM 0 HB3 HIS A 24 -13.566 -1.420 -12.567 1.00 62.03 H new ATOM 0 HD2 HIS A 24 -10.927 -4.043 -11.692 1.00 52.44 H new ATOM 0 HE1 HIS A 24 -10.847 -3.663 -15.906 1.00 23.10 H new ATOM 0 HE2 HIS A 24 -10.058 -5.044 -13.928 1.00 1.45 H new ATOM 385 N ASN A 25 -12.834 1.069 -10.157 1.00 20.50 N ATOM 386 CA ASN A 25 -13.744 2.010 -9.462 1.00 34.31 C ATOM 387 C ASN A 25 -13.164 3.431 -9.443 1.00 34.01 C ATOM 388 O ASN A 25 -13.911 4.411 -9.527 1.00 72.23 O ATOM 389 CB ASN A 25 -14.050 1.534 -8.006 1.00 75.24 C ATOM 390 CG ASN A 25 -14.933 0.273 -7.934 1.00 70.43 C ATOM 391 OD1 ASN A 25 -15.750 0.013 -8.822 1.00 62.32 O ATOM 392 ND2 ASN A 25 -14.781 -0.504 -6.866 1.00 64.21 N ATOM 0 H ASN A 25 -12.196 0.581 -9.529 1.00 20.50 H new ATOM 0 HA ASN A 25 -14.680 2.026 -10.021 1.00 34.31 H new ATOM 0 HB2 ASN A 25 -13.109 1.336 -7.493 1.00 75.24 H new ATOM 0 HB3 ASN A 25 -14.543 2.342 -7.466 1.00 75.24 H new ATOM 0 HD21 ASN A 25 -15.349 -1.345 -6.762 1.00 64.21 H new ATOM 0 HD22 ASN A 25 -14.096 -0.259 -6.151 1.00 64.21 H new ATOM 399 N TYR A 26 -11.833 3.537 -9.315 1.00 51.11 N ATOM 400 CA TYR A 26 -11.126 4.831 -9.231 1.00 1.12 C ATOM 401 C TYR A 26 -10.245 4.987 -10.500 1.00 0.12 C ATOM 402 O TYR A 26 -9.080 4.567 -10.506 1.00 21.52 O ATOM 403 CB TYR A 26 -10.278 4.920 -7.915 1.00 50.21 C ATOM 404 CG TYR A 26 -10.980 4.364 -6.653 1.00 3.33 C ATOM 405 CD1 TYR A 26 -12.202 4.871 -6.214 1.00 52.14 C ATOM 406 CD2 TYR A 26 -10.426 3.308 -5.923 1.00 54.23 C ATOM 407 CE1 TYR A 26 -12.841 4.333 -5.108 1.00 1.00 C ATOM 408 CE2 TYR A 26 -11.059 2.776 -4.820 1.00 2.53 C ATOM 409 CZ TYR A 26 -12.260 3.285 -4.418 1.00 22.35 C ATOM 410 OH TYR A 26 -12.902 2.732 -3.326 1.00 13.04 O ATOM 0 H TYR A 26 -11.213 2.729 -9.266 1.00 51.11 H new ATOM 0 HA TYR A 26 -11.844 5.651 -9.191 1.00 1.12 H new ATOM 0 HB2 TYR A 26 -9.344 4.377 -8.063 1.00 50.21 H new ATOM 0 HB3 TYR A 26 -10.016 5.963 -7.738 1.00 50.21 H new ATOM 0 HD1 TYR A 26 -12.657 5.695 -6.743 1.00 52.14 H new ATOM 0 HD2 TYR A 26 -9.476 2.898 -6.232 1.00 54.23 H new ATOM 0 HE1 TYR A 26 -13.791 4.732 -4.786 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -10.607 1.960 -4.276 1.00 2.53 H new ATOM 0 HH TYR A 26 -12.241 2.316 -2.734 1.00 13.04 H new ATOM 420 N PRO A 27 -10.801 5.585 -11.615 1.00 35.41 N ATOM 421 CA PRO A 27 -10.124 5.636 -12.941 1.00 10.53 C ATOM 422 C PRO A 27 -9.088 6.781 -13.083 1.00 44.22 C ATOM 423 O PRO A 27 -8.871 7.290 -14.189 1.00 20.13 O ATOM 424 CB PRO A 27 -11.325 5.838 -13.899 1.00 52.11 C ATOM 425 CG PRO A 27 -12.279 6.690 -13.123 1.00 41.42 C ATOM 426 CD PRO A 27 -12.138 6.255 -11.676 1.00 15.41 C ATOM 0 HA PRO A 27 -9.525 4.746 -13.133 1.00 10.53 H new ATOM 0 HB2 PRO A 27 -11.018 6.326 -14.824 1.00 52.11 H new ATOM 0 HB3 PRO A 27 -11.777 4.886 -14.176 1.00 52.11 H new ATOM 0 HG2 PRO A 27 -12.042 7.748 -13.238 1.00 41.42 H new ATOM 0 HG3 PRO A 27 -13.301 6.553 -13.475 1.00 41.42 H new ATOM 0 HD2 PRO A 27 -12.186 7.108 -10.999 1.00 15.41 H new ATOM 0 HD3 PRO A 27 -12.937 5.573 -11.387 1.00 15.41 H new ATOM 434 N GLY A 28 -8.446 7.166 -11.971 1.00 12.43 N ATOM 435 CA GLY A 28 -7.380 8.173 -11.994 1.00 64.41 C ATOM 436 C GLY A 28 -6.623 8.238 -10.677 1.00 54.44 C ATOM 437 O GLY A 28 -6.061 9.281 -10.330 1.00 41.24 O ATOM 0 H GLY A 28 -8.648 6.793 -11.043 1.00 12.43 H new ATOM 0 HA2 GLY A 28 -6.683 7.944 -12.801 1.00 64.41 H new ATOM 0 HA3 GLY A 28 -7.810 9.150 -12.212 1.00 64.41 H new ATOM 441 N ARG A 29 -6.614 7.110 -9.937 1.00 21.32 N ATOM 442 CA ARG A 29 -5.981 7.012 -8.606 1.00 52.41 C ATOM 443 C ARG A 29 -4.872 5.964 -8.640 1.00 12.54 C ATOM 444 O ARG A 29 -5.106 4.811 -9.028 1.00 11.44 O ATOM 445 CB ARG A 29 -7.039 6.664 -7.531 1.00 10.24 C ATOM 446 CG ARG A 29 -8.052 7.800 -7.261 1.00 12.31 C ATOM 447 CD ARG A 29 -7.399 9.041 -6.632 1.00 21.02 C ATOM 448 NE ARG A 29 -8.370 10.118 -6.373 1.00 63.41 N ATOM 449 CZ ARG A 29 -8.267 11.035 -5.399 1.00 44.02 C ATOM 450 NH1 ARG A 29 -7.236 11.029 -4.555 1.00 34.01 N ATOM 451 NH2 ARG A 29 -9.196 11.969 -5.286 1.00 74.51 N ATOM 0 H ARG A 29 -7.047 6.240 -10.247 1.00 21.32 H new ATOM 0 HA ARG A 29 -5.542 7.975 -8.345 1.00 52.41 H new ATOM 0 HB2 ARG A 29 -7.582 5.773 -7.845 1.00 10.24 H new ATOM 0 HB3 ARG A 29 -6.529 6.416 -6.600 1.00 10.24 H new ATOM 0 HG2 ARG A 29 -8.532 8.083 -8.198 1.00 12.31 H new ATOM 0 HG3 ARG A 29 -8.836 7.432 -6.599 1.00 12.31 H new ATOM 0 HD2 ARG A 29 -6.916 8.759 -5.697 1.00 21.02 H new ATOM 0 HD3 ARG A 29 -6.618 9.412 -7.295 1.00 21.02 H new ATOM 0 HE ARG A 29 -9.186 10.171 -6.983 1.00 63.41 H new ATOM 0 HH11 ARG A 29 -6.509 10.319 -4.643 1.00 34.01 H new ATOM 0 HH12 ARG A 29 -7.174 11.734 -3.820 1.00 34.01 H new ATOM 0 HH21 ARG A 29 -9.982 11.988 -5.936 1.00 74.51 H new ATOM 0 HH22 ARG A 29 -9.127 12.671 -4.549 1.00 74.51 H new ATOM 465 N GLU A 30 -3.676 6.379 -8.208 1.00 63.25 N ATOM 466 CA GLU A 30 -2.446 5.611 -8.387 1.00 14.43 C ATOM 467 C GLU A 30 -2.232 4.628 -7.226 1.00 22.22 C ATOM 468 O GLU A 30 -2.252 5.011 -6.048 1.00 63.52 O ATOM 469 CB GLU A 30 -1.236 6.568 -8.541 1.00 43.23 C ATOM 470 CG GLU A 30 -1.209 7.395 -9.849 1.00 43.24 C ATOM 471 CD GLU A 30 -2.387 8.366 -10.017 1.00 70.30 C ATOM 472 OE1 GLU A 30 -2.488 9.320 -9.218 1.00 63.14 O ATOM 473 OE2 GLU A 30 -3.218 8.171 -10.929 1.00 43.04 O ATOM 0 H GLU A 30 -3.537 7.264 -7.721 1.00 63.25 H new ATOM 0 HA GLU A 30 -2.537 5.022 -9.299 1.00 14.43 H new ATOM 0 HB2 GLU A 30 -1.228 7.256 -7.695 1.00 43.23 H new ATOM 0 HB3 GLU A 30 -0.320 5.981 -8.483 1.00 43.23 H new ATOM 0 HG2 GLU A 30 -0.279 7.963 -9.885 1.00 43.24 H new ATOM 0 HG3 GLU A 30 -1.197 6.710 -10.696 1.00 43.24 H new ATOM 480 N ILE A 31 -2.034 3.358 -7.601 1.00 20.40 N ATOM 481 CA ILE A 31 -1.835 2.237 -6.677 1.00 60.23 C ATOM 482 C ILE A 31 -0.542 1.500 -7.064 1.00 32.22 C ATOM 483 O ILE A 31 -0.226 1.377 -8.249 1.00 74.24 O ATOM 484 CB ILE A 31 -3.072 1.259 -6.737 1.00 72.11 C ATOM 485 CG1 ILE A 31 -4.369 1.994 -6.254 1.00 32.12 C ATOM 486 CG2 ILE A 31 -2.817 -0.033 -5.926 1.00 43.21 C ATOM 487 CD1 ILE A 31 -5.637 1.168 -6.319 1.00 13.42 C ATOM 0 H ILE A 31 -2.007 3.076 -8.581 1.00 20.40 H new ATOM 0 HA ILE A 31 -1.748 2.608 -5.656 1.00 60.23 H new ATOM 0 HB ILE A 31 -3.216 0.957 -7.774 1.00 72.11 H new ATOM 0 HG12 ILE A 31 -4.220 2.323 -5.225 1.00 32.12 H new ATOM 0 HG13 ILE A 31 -4.506 2.891 -6.858 1.00 32.12 H new ATOM 0 HG21 ILE A 31 -3.691 -0.682 -5.991 1.00 43.21 H new ATOM 0 HG22 ILE A 31 -1.949 -0.552 -6.332 1.00 43.21 H new ATOM 0 HG23 ILE A 31 -2.632 0.223 -4.883 1.00 43.21 H new ATOM 0 HD11 ILE A 31 -6.478 1.764 -5.964 1.00 13.42 H new ATOM 0 HD12 ILE A 31 -5.819 0.861 -7.349 1.00 13.42 H new ATOM 0 HD13 ILE A 31 -5.528 0.284 -5.691 1.00 13.42 H new ATOM 499 N ARG A 32 0.212 1.037 -6.060 1.00 34.25 N ATOM 500 CA ARG A 32 1.438 0.254 -6.264 1.00 62.35 C ATOM 501 C ARG A 32 1.272 -1.118 -5.603 1.00 72.14 C ATOM 502 O ARG A 32 0.562 -1.250 -4.604 1.00 74.53 O ATOM 503 CB ARG A 32 2.654 0.995 -5.649 1.00 51.14 C ATOM 504 CG ARG A 32 2.830 2.452 -6.113 1.00 71.53 C ATOM 505 CD ARG A 32 3.074 2.616 -7.630 1.00 54.12 C ATOM 506 NE ARG A 32 4.481 2.371 -8.022 1.00 3.31 N ATOM 507 CZ ARG A 32 5.103 2.984 -9.054 1.00 30.24 C ATOM 508 NH1 ARG A 32 4.460 3.873 -9.808 1.00 0.34 N ATOM 509 NH2 ARG A 32 6.370 2.706 -9.319 1.00 70.15 N ATOM 0 H ARG A 32 -0.012 1.196 -5.078 1.00 34.25 H new ATOM 0 HA ARG A 32 1.614 0.127 -7.332 1.00 62.35 H new ATOM 0 HB2 ARG A 32 2.556 0.984 -4.563 1.00 51.14 H new ATOM 0 HB3 ARG A 32 3.560 0.440 -5.893 1.00 51.14 H new ATOM 0 HG2 ARG A 32 1.940 3.018 -5.838 1.00 71.53 H new ATOM 0 HG3 ARG A 32 3.668 2.893 -5.573 1.00 71.53 H new ATOM 0 HD2 ARG A 32 2.427 1.927 -8.173 1.00 54.12 H new ATOM 0 HD3 ARG A 32 2.790 3.624 -7.931 1.00 54.12 H new ATOM 0 HE ARG A 32 5.016 1.695 -7.477 1.00 3.31 H new ATOM 0 HH11 ARG A 32 3.485 4.099 -9.610 1.00 0.34 H new ATOM 0 HH12 ARG A 32 4.942 4.328 -10.583 1.00 0.34 H new ATOM 0 HH21 ARG A 32 6.875 2.031 -8.745 1.00 70.15 H new ATOM 0 HH22 ARG A 32 6.841 3.167 -10.097 1.00 70.15 H new ATOM 523 N THR A 33 1.926 -2.126 -6.176 1.00 50.41 N ATOM 524 CA THR A 33 1.968 -3.482 -5.617 1.00 33.44 C ATOM 525 C THR A 33 3.399 -3.789 -5.141 1.00 63.40 C ATOM 526 O THR A 33 4.381 -3.329 -5.747 1.00 20.14 O ATOM 527 CB THR A 33 1.513 -4.540 -6.680 1.00 13.25 C ATOM 528 OG1 THR A 33 0.275 -4.128 -7.274 1.00 65.54 O ATOM 529 CG2 THR A 33 1.321 -5.937 -6.057 1.00 73.22 C ATOM 0 H THR A 33 2.447 -2.028 -7.048 1.00 50.41 H new ATOM 0 HA THR A 33 1.281 -3.538 -4.773 1.00 33.44 H new ATOM 0 HB THR A 33 2.299 -4.603 -7.432 1.00 13.25 H new ATOM 0 HG1 THR A 33 -0.086 -4.859 -7.817 1.00 65.54 H new ATOM 0 HG21 THR A 33 1.006 -6.639 -6.829 1.00 73.22 H new ATOM 0 HG22 THR A 33 2.262 -6.274 -5.622 1.00 73.22 H new ATOM 0 HG23 THR A 33 0.559 -5.887 -5.279 1.00 73.22 H new ATOM 537 N ALA A 34 3.505 -4.554 -4.052 1.00 41.25 N ATOM 538 CA ALA A 34 4.780 -4.976 -3.478 1.00 72.45 C ATOM 539 C ALA A 34 4.731 -6.472 -3.172 1.00 32.12 C ATOM 540 O ALA A 34 3.763 -6.964 -2.598 1.00 54.22 O ATOM 541 CB ALA A 34 5.096 -4.156 -2.224 1.00 21.41 C ATOM 0 H ALA A 34 2.695 -4.901 -3.539 1.00 41.25 H new ATOM 0 HA ALA A 34 5.581 -4.799 -4.196 1.00 72.45 H new ATOM 0 HB1 ALA A 34 6.049 -4.482 -1.807 1.00 21.41 H new ATOM 0 HB2 ALA A 34 5.156 -3.100 -2.486 1.00 21.41 H new ATOM 0 HB3 ALA A 34 4.308 -4.302 -1.485 1.00 21.41 H new ATOM 547 N THR A 35 5.767 -7.187 -3.603 1.00 21.42 N ATOM 548 CA THR A 35 5.921 -8.641 -3.375 1.00 41.22 C ATOM 549 C THR A 35 7.360 -8.930 -2.899 1.00 62.15 C ATOM 550 O THR A 35 7.601 -9.846 -2.108 1.00 12.31 O ATOM 551 CB THR A 35 5.597 -9.430 -4.695 1.00 1.53 C ATOM 552 OG1 THR A 35 4.275 -9.081 -5.151 1.00 54.14 O ATOM 553 CG2 THR A 35 5.671 -10.964 -4.528 1.00 73.41 C ATOM 0 H THR A 35 6.539 -6.777 -4.129 1.00 21.42 H new ATOM 0 HA THR A 35 5.222 -8.970 -2.606 1.00 41.22 H new ATOM 0 HB THR A 35 6.359 -9.144 -5.420 1.00 1.53 H new ATOM 0 HG1 THR A 35 4.073 -9.572 -5.975 1.00 54.14 H new ATOM 0 HG21 THR A 35 5.436 -11.445 -5.477 1.00 73.41 H new ATOM 0 HG22 THR A 35 6.676 -11.248 -4.216 1.00 73.41 H new ATOM 0 HG23 THR A 35 4.953 -11.283 -3.772 1.00 73.41 H new ATOM 561 N SER A 36 8.301 -8.120 -3.398 1.00 51.35 N ATOM 562 CA SER A 36 9.717 -8.161 -3.027 1.00 63.21 C ATOM 563 C SER A 36 10.150 -6.782 -2.483 1.00 35.24 C ATOM 564 O SER A 36 9.466 -5.770 -2.709 1.00 20.53 O ATOM 565 CB SER A 36 10.547 -8.543 -4.273 1.00 72.50 C ATOM 566 OG SER A 36 10.137 -9.799 -4.798 1.00 24.34 O ATOM 0 H SER A 36 8.091 -7.400 -4.089 1.00 51.35 H new ATOM 0 HA SER A 36 9.882 -8.904 -2.247 1.00 63.21 H new ATOM 0 HB2 SER A 36 10.437 -7.773 -5.037 1.00 72.50 H new ATOM 0 HB3 SER A 36 11.604 -8.583 -4.011 1.00 72.50 H new ATOM 0 HG SER A 36 10.677 -10.016 -5.587 1.00 24.34 H new ATOM 572 N SER A 37 11.296 -6.760 -1.775 1.00 44.12 N ATOM 573 CA SER A 37 11.892 -5.531 -1.212 1.00 63.31 C ATOM 574 C SER A 37 12.324 -4.549 -2.325 1.00 5.43 C ATOM 575 O SER A 37 12.472 -3.347 -2.077 1.00 4.22 O ATOM 576 CB SER A 37 13.095 -5.900 -0.308 1.00 55.24 C ATOM 577 OG SER A 37 14.017 -6.730 -0.999 1.00 23.13 O ATOM 0 H SER A 37 11.839 -7.600 -1.576 1.00 44.12 H new ATOM 0 HA SER A 37 11.135 -5.027 -0.611 1.00 63.31 H new ATOM 0 HB2 SER A 37 13.597 -4.991 0.024 1.00 55.24 H new ATOM 0 HB3 SER A 37 12.739 -6.412 0.586 1.00 55.24 H new ATOM 0 HG SER A 37 14.768 -6.948 -0.408 1.00 23.13 H new ATOM 583 N GLN A 38 12.526 -5.083 -3.552 1.00 62.25 N ATOM 584 CA GLN A 38 12.805 -4.275 -4.754 1.00 40.32 C ATOM 585 C GLN A 38 11.610 -3.341 -5.067 1.00 23.51 C ATOM 586 O GLN A 38 11.799 -2.149 -5.353 1.00 32.33 O ATOM 587 CB GLN A 38 13.102 -5.205 -5.965 1.00 62.04 C ATOM 588 CG GLN A 38 13.502 -4.470 -7.265 1.00 24.31 C ATOM 589 CD GLN A 38 14.787 -3.642 -7.126 1.00 52.13 C ATOM 590 OE1 GLN A 38 14.752 -2.465 -6.767 1.00 3.53 O ATOM 591 NE2 GLN A 38 15.930 -4.246 -7.402 1.00 50.11 N ATOM 0 H GLN A 38 12.499 -6.087 -3.733 1.00 62.25 H new ATOM 0 HA GLN A 38 13.682 -3.657 -4.565 1.00 40.32 H new ATOM 0 HB2 GLN A 38 13.904 -5.890 -5.691 1.00 62.04 H new ATOM 0 HB3 GLN A 38 12.219 -5.812 -6.164 1.00 62.04 H new ATOM 0 HG2 GLN A 38 13.635 -5.202 -8.062 1.00 24.31 H new ATOM 0 HG3 GLN A 38 12.686 -3.813 -7.568 1.00 24.31 H new ATOM 0 HE21 GLN A 38 15.933 -5.222 -7.698 1.00 50.11 H new ATOM 0 HE22 GLN A 38 16.809 -3.736 -7.319 1.00 50.11 H new ATOM 600 N ASP A 39 10.383 -3.912 -4.979 1.00 51.12 N ATOM 601 CA ASP A 39 9.122 -3.164 -5.171 1.00 73.24 C ATOM 602 C ASP A 39 8.980 -2.073 -4.098 1.00 24.01 C ATOM 603 O ASP A 39 8.653 -0.938 -4.408 1.00 75.35 O ATOM 604 CB ASP A 39 7.887 -4.094 -5.081 1.00 74.31 C ATOM 605 CG ASP A 39 7.863 -5.234 -6.111 1.00 75.31 C ATOM 606 OD1 ASP A 39 7.356 -5.031 -7.231 1.00 63.02 O ATOM 607 OD2 ASP A 39 8.330 -6.345 -5.797 1.00 24.23 O ATOM 0 H ASP A 39 10.243 -4.901 -4.773 1.00 51.12 H new ATOM 0 HA ASP A 39 9.164 -2.719 -6.165 1.00 73.24 H new ATOM 0 HB2 ASP A 39 7.847 -4.526 -4.081 1.00 74.31 H new ATOM 0 HB3 ASP A 39 6.987 -3.492 -5.205 1.00 74.31 H new ATOM 612 N ILE A 40 9.244 -2.462 -2.837 1.00 10.22 N ATOM 613 CA ILE A 40 9.173 -1.571 -1.657 1.00 54.22 C ATOM 614 C ILE A 40 9.997 -0.274 -1.873 1.00 1.33 C ATOM 615 O ILE A 40 9.472 0.842 -1.742 1.00 52.44 O ATOM 616 CB ILE A 40 9.689 -2.348 -0.381 1.00 21.53 C ATOM 617 CG1 ILE A 40 8.696 -3.489 0.030 1.00 4.40 C ATOM 618 CG2 ILE A 40 9.985 -1.405 0.802 1.00 13.33 C ATOM 619 CD1 ILE A 40 7.319 -3.028 0.510 1.00 73.22 C ATOM 0 H ILE A 40 9.517 -3.417 -2.603 1.00 10.22 H new ATOM 0 HA ILE A 40 8.134 -1.275 -1.509 1.00 54.22 H new ATOM 0 HB ILE A 40 10.637 -2.811 -0.655 1.00 21.53 H new ATOM 0 HG12 ILE A 40 8.560 -4.152 -0.824 1.00 4.40 H new ATOM 0 HG13 ILE A 40 9.157 -4.080 0.821 1.00 4.40 H new ATOM 0 HG21 ILE A 40 10.336 -1.988 1.653 1.00 13.33 H new ATOM 0 HG22 ILE A 40 10.753 -0.688 0.512 1.00 13.33 H new ATOM 0 HG23 ILE A 40 9.076 -0.871 1.078 1.00 13.33 H new ATOM 0 HD11 ILE A 40 6.714 -3.897 0.768 1.00 73.22 H new ATOM 0 HD12 ILE A 40 7.434 -2.392 1.388 1.00 73.22 H new ATOM 0 HD13 ILE A 40 6.827 -2.466 -0.283 1.00 73.22 H new ATOM 631 N ARG A 41 11.273 -0.452 -2.251 1.00 73.30 N ATOM 632 CA ARG A 41 12.226 0.661 -2.458 1.00 22.03 C ATOM 633 C ARG A 41 11.883 1.462 -3.732 1.00 10.11 C ATOM 634 O ARG A 41 12.150 2.663 -3.799 1.00 4.33 O ATOM 635 CB ARG A 41 13.667 0.106 -2.537 1.00 43.23 C ATOM 636 CG ARG A 41 14.123 -0.649 -1.267 1.00 53.24 C ATOM 637 CD ARG A 41 15.497 -1.318 -1.432 1.00 42.40 C ATOM 638 NE ARG A 41 15.851 -2.135 -0.256 1.00 21.02 N ATOM 639 CZ ARG A 41 16.605 -3.248 -0.284 1.00 60.41 C ATOM 640 NH1 ARG A 41 17.107 -3.703 -1.425 1.00 62.04 N ATOM 641 NH2 ARG A 41 16.859 -3.899 0.842 1.00 42.51 N ATOM 0 H ARG A 41 11.678 -1.372 -2.423 1.00 73.30 H new ATOM 0 HA ARG A 41 12.150 1.342 -1.610 1.00 22.03 H new ATOM 0 HB2 ARG A 41 13.740 -0.566 -3.392 1.00 43.23 H new ATOM 0 HB3 ARG A 41 14.354 0.932 -2.722 1.00 43.23 H new ATOM 0 HG2 ARG A 41 14.162 0.048 -0.430 1.00 53.24 H new ATOM 0 HG3 ARG A 41 13.382 -1.408 -1.016 1.00 53.24 H new ATOM 0 HD2 ARG A 41 15.491 -1.946 -2.323 1.00 42.40 H new ATOM 0 HD3 ARG A 41 16.258 -0.553 -1.586 1.00 42.40 H new ATOM 0 HE ARG A 41 15.496 -1.832 0.651 1.00 21.02 H new ATOM 0 HH11 ARG A 41 16.923 -3.207 -2.297 1.00 62.04 H new ATOM 0 HH12 ARG A 41 17.677 -4.549 -1.430 1.00 62.04 H new ATOM 0 HH21 ARG A 41 16.483 -3.555 1.726 1.00 42.51 H new ATOM 0 HH22 ARG A 41 17.431 -4.744 0.825 1.00 42.51 H new ATOM 655 N ASP A 42 11.298 0.766 -4.727 1.00 11.32 N ATOM 656 CA ASP A 42 10.780 1.377 -5.974 1.00 55.44 C ATOM 657 C ASP A 42 9.664 2.396 -5.664 1.00 61.30 C ATOM 658 O ASP A 42 9.647 3.501 -6.206 1.00 45.11 O ATOM 659 CB ASP A 42 10.236 0.276 -6.936 1.00 64.12 C ATOM 660 CG ASP A 42 9.466 0.838 -8.151 1.00 52.22 C ATOM 661 OD1 ASP A 42 10.103 1.216 -9.164 1.00 31.02 O ATOM 662 OD2 ASP A 42 8.222 0.930 -8.082 1.00 61.21 O ATOM 0 H ASP A 42 11.169 -0.245 -4.690 1.00 11.32 H new ATOM 0 HA ASP A 42 11.604 1.899 -6.460 1.00 55.44 H new ATOM 0 HB2 ASP A 42 11.071 -0.327 -7.293 1.00 64.12 H new ATOM 0 HB3 ASP A 42 9.579 -0.390 -6.377 1.00 64.12 H new ATOM 667 N ILE A 43 8.735 1.996 -4.789 1.00 54.30 N ATOM 668 CA ILE A 43 7.561 2.809 -4.432 1.00 74.43 C ATOM 669 C ILE A 43 7.992 4.085 -3.682 1.00 53.43 C ATOM 670 O ILE A 43 7.582 5.187 -4.045 1.00 32.35 O ATOM 671 CB ILE A 43 6.552 1.974 -3.570 1.00 73.10 C ATOM 672 CG1 ILE A 43 6.082 0.710 -4.368 1.00 51.21 C ATOM 673 CG2 ILE A 43 5.352 2.848 -3.126 1.00 53.41 C ATOM 674 CD1 ILE A 43 5.395 -0.358 -3.534 1.00 14.55 C ATOM 0 H ILE A 43 8.774 1.098 -4.306 1.00 54.30 H new ATOM 0 HA ILE A 43 7.058 3.107 -5.352 1.00 74.43 H new ATOM 0 HB ILE A 43 7.057 1.634 -2.665 1.00 73.10 H new ATOM 0 HG12 ILE A 43 5.399 1.029 -5.156 1.00 51.21 H new ATOM 0 HG13 ILE A 43 6.948 0.265 -4.858 1.00 51.21 H new ATOM 0 HG21 ILE A 43 4.665 2.247 -2.529 1.00 53.41 H new ATOM 0 HG22 ILE A 43 5.713 3.686 -2.530 1.00 53.41 H new ATOM 0 HG23 ILE A 43 4.832 3.226 -4.006 1.00 53.41 H new ATOM 0 HD11 ILE A 43 5.107 -1.191 -4.175 1.00 14.55 H new ATOM 0 HD12 ILE A 43 6.078 -0.713 -2.763 1.00 14.55 H new ATOM 0 HD13 ILE A 43 4.506 0.063 -3.065 1.00 14.55 H new ATOM 686 N ILE A 44 8.859 3.912 -2.666 1.00 61.44 N ATOM 687 CA ILE A 44 9.400 5.027 -1.850 1.00 0.41 C ATOM 688 C ILE A 44 10.229 5.999 -2.727 1.00 74.13 C ATOM 689 O ILE A 44 10.165 7.219 -2.547 1.00 4.23 O ATOM 690 CB ILE A 44 10.267 4.464 -0.664 1.00 33.23 C ATOM 691 CG1 ILE A 44 9.401 3.507 0.216 1.00 22.12 C ATOM 692 CG2 ILE A 44 10.894 5.600 0.195 1.00 61.13 C ATOM 693 CD1 ILE A 44 10.181 2.767 1.274 1.00 14.30 C ATOM 0 H ILE A 44 9.207 2.996 -2.384 1.00 61.44 H new ATOM 0 HA ILE A 44 8.564 5.586 -1.430 1.00 0.41 H new ATOM 0 HB ILE A 44 11.098 3.902 -1.091 1.00 33.23 H new ATOM 0 HG12 ILE A 44 8.615 4.087 0.699 1.00 22.12 H new ATOM 0 HG13 ILE A 44 8.909 2.781 -0.432 1.00 22.12 H new ATOM 0 HG21 ILE A 44 11.483 5.163 1.001 1.00 61.13 H new ATOM 0 HG22 ILE A 44 11.538 6.217 -0.432 1.00 61.13 H new ATOM 0 HG23 ILE A 44 10.101 6.216 0.618 1.00 61.13 H new ATOM 0 HD11 ILE A 44 9.507 2.125 1.841 1.00 14.30 H new ATOM 0 HD12 ILE A 44 10.950 2.157 0.799 1.00 14.30 H new ATOM 0 HD13 ILE A 44 10.651 3.484 1.948 1.00 14.30 H new ATOM 705 N LYS A 45 10.960 5.431 -3.704 1.00 71.03 N ATOM 706 CA LYS A 45 11.708 6.195 -4.732 1.00 13.03 C ATOM 707 C LYS A 45 10.740 7.016 -5.597 1.00 62.35 C ATOM 708 O LYS A 45 11.051 8.134 -5.988 1.00 61.43 O ATOM 709 CB LYS A 45 12.566 5.199 -5.586 1.00 63.21 C ATOM 710 CG LYS A 45 13.199 5.724 -6.919 1.00 75.14 C ATOM 711 CD LYS A 45 12.249 5.638 -8.154 1.00 4.40 C ATOM 712 CE LYS A 45 11.753 4.209 -8.423 1.00 24.02 C ATOM 713 NZ LYS A 45 10.622 4.163 -9.393 1.00 74.11 N ATOM 0 H LYS A 45 11.052 4.420 -3.807 1.00 71.03 H new ATOM 0 HA LYS A 45 12.384 6.904 -4.254 1.00 13.03 H new ATOM 0 HB2 LYS A 45 13.375 4.831 -4.955 1.00 63.21 H new ATOM 0 HB3 LYS A 45 11.937 4.343 -5.830 1.00 63.21 H new ATOM 0 HG2 LYS A 45 13.503 6.761 -6.780 1.00 75.14 H new ATOM 0 HG3 LYS A 45 14.103 5.152 -7.129 1.00 75.14 H new ATOM 0 HD2 LYS A 45 11.392 6.292 -7.994 1.00 4.40 H new ATOM 0 HD3 LYS A 45 12.772 6.009 -9.036 1.00 4.40 H new ATOM 0 HE2 LYS A 45 12.578 3.609 -8.806 1.00 24.02 H new ATOM 0 HE3 LYS A 45 11.438 3.756 -7.483 1.00 24.02 H new ATOM 0 HZ1 LYS A 45 10.428 3.175 -9.654 1.00 74.11 H new ATOM 0 HZ2 LYS A 45 9.774 4.579 -8.958 1.00 74.11 H new ATOM 0 HZ3 LYS A 45 10.874 4.703 -10.246 1.00 74.11 H new ATOM 727 N SER A 46 9.567 6.431 -5.905 1.00 52.31 N ATOM 728 CA SER A 46 8.508 7.104 -6.692 1.00 23.22 C ATOM 729 C SER A 46 7.810 8.213 -5.868 1.00 32.42 C ATOM 730 O SER A 46 7.236 9.142 -6.436 1.00 1.51 O ATOM 731 CB SER A 46 7.473 6.065 -7.184 1.00 34.11 C ATOM 732 OG SER A 46 8.096 5.032 -7.938 1.00 30.31 O ATOM 0 H SER A 46 9.324 5.483 -5.618 1.00 52.31 H new ATOM 0 HA SER A 46 8.977 7.578 -7.555 1.00 23.22 H new ATOM 0 HB2 SER A 46 6.955 5.632 -6.329 1.00 34.11 H new ATOM 0 HB3 SER A 46 6.719 6.561 -7.796 1.00 34.11 H new ATOM 0 HG SER A 46 8.649 4.482 -7.345 1.00 30.31 H new ATOM 738 N MET A 47 7.858 8.083 -4.524 1.00 14.25 N ATOM 739 CA MET A 47 7.317 9.094 -3.583 1.00 40.32 C ATOM 740 C MET A 47 8.347 10.216 -3.333 1.00 15.23 C ATOM 741 O MET A 47 7.987 11.330 -2.944 1.00 40.50 O ATOM 742 CB MET A 47 6.883 8.431 -2.246 1.00 74.44 C ATOM 743 CG MET A 47 5.878 7.280 -2.416 1.00 35.21 C ATOM 744 SD MET A 47 5.068 6.804 -0.884 1.00 75.41 S ATOM 745 CE MET A 47 4.041 8.244 -0.613 1.00 71.42 C ATOM 0 H MET A 47 8.272 7.275 -4.059 1.00 14.25 H new ATOM 0 HA MET A 47 6.433 9.541 -4.038 1.00 40.32 H new ATOM 0 HB2 MET A 47 7.769 8.054 -1.735 1.00 74.44 H new ATOM 0 HB3 MET A 47 6.443 9.192 -1.601 1.00 74.44 H new ATOM 0 HG2 MET A 47 5.120 7.574 -3.142 1.00 35.21 H new ATOM 0 HG3 MET A 47 6.396 6.414 -2.828 1.00 35.21 H new ATOM 0 HE1 MET A 47 4.217 8.633 0.390 1.00 71.42 H new ATOM 0 HE2 MET A 47 4.287 9.010 -1.348 1.00 71.42 H new ATOM 0 HE3 MET A 47 2.992 7.967 -0.715 1.00 71.42 H new ATOM 755 N LYS A 48 9.635 9.891 -3.536 1.00 44.21 N ATOM 756 CA LYS A 48 10.739 10.873 -3.518 1.00 25.51 C ATOM 757 C LYS A 48 10.803 11.632 -4.859 1.00 13.02 C ATOM 758 O LYS A 48 11.137 12.822 -4.898 1.00 0.34 O ATOM 759 CB LYS A 48 12.090 10.150 -3.243 1.00 2.11 C ATOM 760 CG LYS A 48 12.285 9.562 -1.817 1.00 10.12 C ATOM 761 CD LYS A 48 12.793 10.582 -0.764 1.00 32.44 C ATOM 762 CE LYS A 48 11.744 11.592 -0.273 1.00 62.41 C ATOM 763 NZ LYS A 48 12.340 12.566 0.685 1.00 40.24 N ATOM 0 H LYS A 48 9.944 8.936 -3.718 1.00 44.21 H new ATOM 0 HA LYS A 48 10.556 11.593 -2.721 1.00 25.51 H new ATOM 0 HB2 LYS A 48 12.196 9.339 -3.964 1.00 2.11 H new ATOM 0 HB3 LYS A 48 12.899 10.855 -3.435 1.00 2.11 H new ATOM 0 HG2 LYS A 48 11.336 9.149 -1.475 1.00 10.12 H new ATOM 0 HG3 LYS A 48 12.992 8.734 -1.873 1.00 10.12 H new ATOM 0 HD2 LYS A 48 13.175 10.032 0.096 1.00 32.44 H new ATOM 0 HD3 LYS A 48 13.632 11.132 -1.190 1.00 32.44 H new ATOM 0 HE2 LYS A 48 11.324 12.127 -1.125 1.00 62.41 H new ATOM 0 HE3 LYS A 48 10.922 11.062 0.208 1.00 62.41 H new ATOM 0 HZ1 LYS A 48 11.655 12.775 1.439 1.00 40.24 H new ATOM 0 HZ2 LYS A 48 13.201 12.159 1.103 1.00 40.24 H new ATOM 0 HZ3 LYS A 48 12.580 13.444 0.183 1.00 40.24 H new ATOM 777 N ASP A 49 10.475 10.908 -5.941 1.00 41.02 N ATOM 778 CA ASP A 49 10.443 11.440 -7.314 1.00 10.40 C ATOM 779 C ASP A 49 9.242 12.386 -7.463 1.00 5.12 C ATOM 780 O ASP A 49 9.360 13.504 -7.974 1.00 32.41 O ATOM 781 CB ASP A 49 10.347 10.270 -8.333 1.00 13.11 C ATOM 782 CG ASP A 49 10.394 10.726 -9.804 1.00 14.44 C ATOM 783 OD1 ASP A 49 11.494 11.060 -10.290 1.00 40.40 O ATOM 784 OD2 ASP A 49 9.343 10.748 -10.481 1.00 64.31 O ATOM 0 H ASP A 49 10.221 9.922 -5.886 1.00 41.02 H new ATOM 0 HA ASP A 49 11.359 11.995 -7.514 1.00 10.40 H new ATOM 0 HB2 ASP A 49 11.165 9.573 -8.151 1.00 13.11 H new ATOM 0 HB3 ASP A 49 9.419 9.724 -8.160 1.00 13.11 H new ATOM 789 N ASN A 50 8.086 11.899 -6.989 1.00 74.21 N ATOM 790 CA ASN A 50 6.808 12.626 -6.982 1.00 44.52 C ATOM 791 C ASN A 50 6.179 12.506 -5.581 1.00 21.55 C ATOM 792 O ASN A 50 5.796 11.406 -5.176 1.00 42.31 O ATOM 793 CB ASN A 50 5.842 12.040 -8.063 1.00 0.02 C ATOM 794 CG ASN A 50 6.346 12.168 -9.514 1.00 65.44 C ATOM 795 OD1 ASN A 50 6.122 11.284 -10.343 1.00 1.14 O ATOM 796 ND2 ASN A 50 6.997 13.275 -9.843 1.00 12.43 N ATOM 0 H ASN A 50 8.012 10.964 -6.589 1.00 74.21 H new ATOM 0 HA ASN A 50 6.982 13.676 -7.219 1.00 44.52 H new ATOM 0 HB2 ASN A 50 5.670 10.986 -7.844 1.00 0.02 H new ATOM 0 HB3 ASN A 50 4.879 12.544 -7.981 1.00 0.02 H new ATOM 0 HD21 ASN A 50 7.324 13.409 -10.800 1.00 12.43 H new ATOM 0 HD22 ASN A 50 7.171 13.993 -9.139 1.00 12.43 H new ATOM 803 N GLY A 51 6.096 13.634 -4.839 1.00 41.14 N ATOM 804 CA GLY A 51 5.537 13.648 -3.478 1.00 74.43 C ATOM 805 C GLY A 51 4.016 13.568 -3.465 1.00 34.22 C ATOM 806 O GLY A 51 3.334 14.496 -3.018 1.00 23.24 O ATOM 0 H GLY A 51 6.412 14.547 -5.166 1.00 41.14 H new ATOM 0 HA2 GLY A 51 5.945 12.810 -2.914 1.00 74.43 H new ATOM 0 HA3 GLY A 51 5.853 14.559 -2.969 1.00 74.43 H new ATOM 810 N LYS A 52 3.495 12.419 -3.901 1.00 62.02 N ATOM 811 CA LYS A 52 2.061 12.211 -4.189 1.00 64.11 C ATOM 812 C LYS A 52 1.470 11.126 -3.262 1.00 1.25 C ATOM 813 O LYS A 52 2.226 10.409 -2.595 1.00 1.30 O ATOM 814 CB LYS A 52 1.903 11.778 -5.680 1.00 44.23 C ATOM 815 CG LYS A 52 2.674 10.485 -6.055 1.00 64.24 C ATOM 816 CD LYS A 52 2.350 9.942 -7.468 1.00 11.23 C ATOM 817 CE LYS A 52 0.931 9.350 -7.593 1.00 24.24 C ATOM 818 NZ LYS A 52 -0.133 10.383 -7.711 1.00 34.14 N ATOM 0 H LYS A 52 4.062 11.588 -4.069 1.00 62.02 H new ATOM 0 HA LYS A 52 1.521 13.141 -4.011 1.00 64.11 H new ATOM 0 HB2 LYS A 52 0.844 11.630 -5.893 1.00 44.23 H new ATOM 0 HB3 LYS A 52 2.247 12.590 -6.320 1.00 44.23 H new ATOM 0 HG2 LYS A 52 3.744 10.681 -5.990 1.00 64.24 H new ATOM 0 HG3 LYS A 52 2.446 9.713 -5.320 1.00 64.24 H new ATOM 0 HD2 LYS A 52 2.463 10.748 -8.193 1.00 11.23 H new ATOM 0 HD3 LYS A 52 3.079 9.175 -7.729 1.00 11.23 H new ATOM 0 HE2 LYS A 52 0.893 8.699 -8.466 1.00 24.24 H new ATOM 0 HE3 LYS A 52 0.727 8.727 -6.722 1.00 24.24 H new ATOM 0 HZ1 LYS A 52 -0.876 10.044 -8.355 1.00 34.14 H new ATOM 0 HZ2 LYS A 52 -0.544 10.566 -6.774 1.00 34.14 H new ATOM 0 HZ3 LYS A 52 0.277 11.262 -8.087 1.00 34.14 H new ATOM 832 N PRO A 53 0.105 11.017 -3.162 1.00 23.42 N ATOM 833 CA PRO A 53 -0.546 9.849 -2.534 1.00 30.50 C ATOM 834 C PRO A 53 -0.441 8.553 -3.381 1.00 74.15 C ATOM 835 O PRO A 53 -0.534 8.585 -4.619 1.00 30.00 O ATOM 836 CB PRO A 53 -2.011 10.296 -2.359 1.00 55.00 C ATOM 837 CG PRO A 53 -2.227 11.358 -3.390 1.00 44.52 C ATOM 838 CD PRO A 53 -0.894 12.063 -3.540 1.00 2.52 C ATOM 0 HA PRO A 53 -0.062 9.580 -1.595 1.00 30.50 H new ATOM 0 HB2 PRO A 53 -2.697 9.461 -2.505 1.00 55.00 H new ATOM 0 HB3 PRO A 53 -2.187 10.681 -1.355 1.00 55.00 H new ATOM 0 HG2 PRO A 53 -2.549 10.924 -4.337 1.00 44.52 H new ATOM 0 HG3 PRO A 53 -3.005 12.054 -3.077 1.00 44.52 H new ATOM 0 HD2 PRO A 53 -0.739 12.414 -4.560 1.00 2.52 H new ATOM 0 HD3 PRO A 53 -0.827 12.935 -2.889 1.00 2.52 H new ATOM 846 N LEU A 54 -0.239 7.420 -2.678 1.00 42.11 N ATOM 847 CA LEU A 54 -0.180 6.058 -3.259 1.00 41.15 C ATOM 848 C LEU A 54 -0.837 5.056 -2.289 1.00 64.24 C ATOM 849 O LEU A 54 -0.994 5.347 -1.106 1.00 12.12 O ATOM 850 CB LEU A 54 1.304 5.639 -3.544 1.00 30.01 C ATOM 851 CG LEU A 54 1.968 6.267 -4.813 1.00 61.43 C ATOM 852 CD1 LEU A 54 3.478 5.946 -4.891 1.00 4.55 C ATOM 853 CD2 LEU A 54 1.231 5.807 -6.090 1.00 12.54 C ATOM 0 H LEU A 54 -0.109 7.424 -1.666 1.00 42.11 H new ATOM 0 HA LEU A 54 -0.721 6.056 -4.205 1.00 41.15 H new ATOM 0 HB2 LEU A 54 1.907 5.903 -2.676 1.00 30.01 H new ATOM 0 HB3 LEU A 54 1.341 4.554 -3.640 1.00 30.01 H new ATOM 0 HG LEU A 54 1.878 7.350 -4.734 1.00 61.43 H new ATOM 0 HD11 LEU A 54 3.901 6.401 -5.787 1.00 4.55 H new ATOM 0 HD12 LEU A 54 3.981 6.345 -4.010 1.00 4.55 H new ATOM 0 HD13 LEU A 54 3.619 4.866 -4.931 1.00 4.55 H new ATOM 0 HD21 LEU A 54 1.705 6.253 -6.964 1.00 12.54 H new ATOM 0 HD22 LEU A 54 1.278 4.721 -6.166 1.00 12.54 H new ATOM 0 HD23 LEU A 54 0.189 6.123 -6.042 1.00 12.54 H new ATOM 865 N VAL A 55 -1.226 3.876 -2.801 1.00 55.55 N ATOM 866 CA VAL A 55 -1.769 2.774 -1.977 1.00 24.11 C ATOM 867 C VAL A 55 -0.964 1.495 -2.280 1.00 63.32 C ATOM 868 O VAL A 55 -1.075 0.951 -3.378 1.00 13.35 O ATOM 869 CB VAL A 55 -3.309 2.520 -2.257 1.00 12.31 C ATOM 870 CG1 VAL A 55 -3.870 1.411 -1.334 1.00 13.53 C ATOM 871 CG2 VAL A 55 -4.140 3.822 -2.125 1.00 52.31 C ATOM 0 H VAL A 55 -1.174 3.656 -3.796 1.00 55.55 H new ATOM 0 HA VAL A 55 -1.677 3.051 -0.927 1.00 24.11 H new ATOM 0 HB VAL A 55 -3.396 2.179 -3.289 1.00 12.31 H new ATOM 0 HG11 VAL A 55 -4.928 1.259 -1.549 1.00 13.53 H new ATOM 0 HG12 VAL A 55 -3.327 0.482 -1.510 1.00 13.53 H new ATOM 0 HG13 VAL A 55 -3.751 1.710 -0.293 1.00 13.53 H new ATOM 0 HG21 VAL A 55 -5.190 3.606 -2.324 1.00 52.31 H new ATOM 0 HG22 VAL A 55 -4.037 4.219 -1.115 1.00 52.31 H new ATOM 0 HG23 VAL A 55 -3.779 4.559 -2.843 1.00 52.31 H new ATOM 881 N VAL A 56 -0.123 1.050 -1.329 1.00 31.03 N ATOM 882 CA VAL A 56 0.708 -0.166 -1.495 1.00 64.15 C ATOM 883 C VAL A 56 -0.020 -1.417 -0.988 1.00 3.44 C ATOM 884 O VAL A 56 -0.337 -1.517 0.191 1.00 15.30 O ATOM 885 CB VAL A 56 2.082 -0.025 -0.745 1.00 32.20 C ATOM 886 CG1 VAL A 56 2.942 -1.316 -0.824 1.00 4.53 C ATOM 887 CG2 VAL A 56 2.854 1.170 -1.303 1.00 24.34 C ATOM 0 H VAL A 56 0.003 1.515 -0.430 1.00 31.03 H new ATOM 0 HA VAL A 56 0.895 -0.276 -2.563 1.00 64.15 H new ATOM 0 HB VAL A 56 1.864 0.139 0.310 1.00 32.20 H new ATOM 0 HG11 VAL A 56 3.879 -1.162 -0.289 1.00 4.53 H new ATOM 0 HG12 VAL A 56 2.397 -2.144 -0.371 1.00 4.53 H new ATOM 0 HG13 VAL A 56 3.154 -1.549 -1.868 1.00 4.53 H new ATOM 0 HG21 VAL A 56 3.806 1.264 -0.780 1.00 24.34 H new ATOM 0 HG22 VAL A 56 3.037 1.020 -2.367 1.00 24.34 H new ATOM 0 HG23 VAL A 56 2.270 2.079 -1.160 1.00 24.34 H new ATOM 897 N PHE A 57 -0.274 -2.359 -1.899 1.00 52.12 N ATOM 898 CA PHE A 57 -0.755 -3.702 -1.561 1.00 42.24 C ATOM 899 C PHE A 57 0.448 -4.663 -1.470 1.00 70.50 C ATOM 900 O PHE A 57 1.056 -4.994 -2.493 1.00 22.13 O ATOM 901 CB PHE A 57 -1.764 -4.161 -2.646 1.00 10.04 C ATOM 902 CG PHE A 57 -3.134 -3.474 -2.564 1.00 14.33 C ATOM 903 CD1 PHE A 57 -3.369 -2.259 -3.203 1.00 11.24 C ATOM 904 CD2 PHE A 57 -4.184 -4.047 -1.838 1.00 15.11 C ATOM 905 CE1 PHE A 57 -4.605 -1.638 -3.122 1.00 52.33 C ATOM 906 CE2 PHE A 57 -5.417 -3.425 -1.760 1.00 44.43 C ATOM 907 CZ PHE A 57 -5.626 -2.220 -2.402 1.00 72.13 C ATOM 0 H PHE A 57 -0.151 -2.211 -2.901 1.00 52.12 H new ATOM 0 HA PHE A 57 -1.262 -3.699 -0.596 1.00 42.24 H new ATOM 0 HB2 PHE A 57 -1.334 -3.972 -3.629 1.00 10.04 H new ATOM 0 HB3 PHE A 57 -1.905 -5.239 -2.562 1.00 10.04 H new ATOM 0 HD1 PHE A 57 -2.576 -1.794 -3.770 1.00 11.24 H new ATOM 0 HD2 PHE A 57 -4.030 -4.988 -1.331 1.00 15.11 H new ATOM 0 HE1 PHE A 57 -4.769 -0.696 -3.624 1.00 52.33 H new ATOM 0 HE2 PHE A 57 -6.217 -3.882 -1.197 1.00 44.43 H new ATOM 0 HZ PHE A 57 -6.589 -1.734 -2.340 1.00 72.13 H new ATOM 917 N VAL A 58 0.805 -5.085 -0.237 1.00 70.12 N ATOM 918 CA VAL A 58 1.914 -6.043 -0.010 1.00 3.30 C ATOM 919 C VAL A 58 1.383 -7.496 -0.027 1.00 43.23 C ATOM 920 O VAL A 58 0.846 -7.994 0.969 1.00 44.54 O ATOM 921 CB VAL A 58 2.733 -5.737 1.316 1.00 70.12 C ATOM 922 CG1 VAL A 58 3.605 -4.477 1.154 1.00 64.14 C ATOM 923 CG2 VAL A 58 1.825 -5.605 2.552 1.00 22.40 C ATOM 0 H VAL A 58 0.342 -4.778 0.618 1.00 70.12 H new ATOM 0 HA VAL A 58 2.619 -5.920 -0.832 1.00 3.30 H new ATOM 0 HB VAL A 58 3.384 -6.595 1.481 1.00 70.12 H new ATOM 0 HG11 VAL A 58 4.154 -4.293 2.078 1.00 64.14 H new ATOM 0 HG12 VAL A 58 4.310 -4.625 0.336 1.00 64.14 H new ATOM 0 HG13 VAL A 58 2.969 -3.620 0.933 1.00 64.14 H new ATOM 0 HG21 VAL A 58 2.435 -5.396 3.431 1.00 22.40 H new ATOM 0 HG22 VAL A 58 1.118 -4.790 2.399 1.00 22.40 H new ATOM 0 HG23 VAL A 58 1.278 -6.536 2.703 1.00 22.40 H new ATOM 933 N ASN A 59 1.529 -8.151 -1.193 1.00 44.21 N ATOM 934 CA ASN A 59 1.030 -9.519 -1.452 1.00 44.30 C ATOM 935 C ASN A 59 1.754 -10.571 -0.586 1.00 53.12 C ATOM 936 O ASN A 59 2.746 -11.182 -1.018 1.00 32.41 O ATOM 937 CB ASN A 59 1.142 -9.873 -2.966 1.00 21.45 C ATOM 938 CG ASN A 59 0.324 -8.959 -3.886 1.00 61.21 C ATOM 939 OD1 ASN A 59 0.170 -7.766 -3.630 1.00 13.22 O ATOM 940 ND2 ASN A 59 -0.220 -9.516 -4.959 1.00 65.31 N ATOM 0 H ASN A 59 2.004 -7.740 -1.997 1.00 44.21 H new ATOM 0 HA ASN A 59 -0.023 -9.538 -1.171 1.00 44.30 H new ATOM 0 HB2 ASN A 59 2.190 -9.825 -3.263 1.00 21.45 H new ATOM 0 HB3 ASN A 59 0.816 -10.903 -3.112 1.00 21.45 H new ATOM 0 HD21 ASN A 59 -0.783 -8.952 -5.596 1.00 65.31 H new ATOM 0 HD22 ASN A 59 -0.076 -10.508 -5.147 1.00 65.31 H new ATOM 947 N GLY A 60 1.239 -10.742 0.656 1.00 25.34 N ATOM 948 CA GLY A 60 1.771 -11.703 1.634 1.00 54.04 C ATOM 949 C GLY A 60 3.246 -11.487 1.962 1.00 34.43 C ATOM 950 O GLY A 60 3.957 -12.435 2.311 1.00 34.43 O ATOM 0 H GLY A 60 0.440 -10.211 1.002 1.00 25.34 H new ATOM 0 HA2 GLY A 60 1.189 -11.633 2.553 1.00 54.04 H new ATOM 0 HA3 GLY A 60 1.637 -12.713 1.248 1.00 54.04 H new ATOM 954 N ALA A 61 3.694 -10.224 1.833 1.00 3.20 N ATOM 955 CA ALA A 61 5.104 -9.839 1.989 1.00 72.21 C ATOM 956 C ALA A 61 5.589 -10.060 3.434 1.00 72.21 C ATOM 957 O ALA A 61 4.821 -9.865 4.391 1.00 13.41 O ATOM 958 CB ALA A 61 5.288 -8.382 1.553 1.00 52.40 C ATOM 0 H ALA A 61 3.081 -9.438 1.616 1.00 3.20 H new ATOM 0 HA ALA A 61 5.716 -10.476 1.350 1.00 72.21 H new ATOM 0 HB1 ALA A 61 6.334 -8.097 1.669 1.00 52.40 H new ATOM 0 HB2 ALA A 61 4.996 -8.275 0.508 1.00 52.40 H new ATOM 0 HB3 ALA A 61 4.665 -7.736 2.171 1.00 52.40 H new ATOM 964 N SER A 62 6.865 -10.467 3.573 1.00 13.55 N ATOM 965 CA SER A 62 7.463 -10.820 4.870 1.00 53.44 C ATOM 966 C SER A 62 7.795 -9.548 5.683 1.00 34.52 C ATOM 967 O SER A 62 7.638 -8.417 5.193 1.00 75.14 O ATOM 968 CB SER A 62 8.727 -11.702 4.643 1.00 64.22 C ATOM 969 OG SER A 62 9.731 -11.020 3.902 1.00 24.12 O ATOM 0 H SER A 62 7.509 -10.560 2.787 1.00 13.55 H new ATOM 0 HA SER A 62 6.744 -11.397 5.452 1.00 53.44 H new ATOM 0 HB2 SER A 62 9.133 -12.007 5.607 1.00 64.22 H new ATOM 0 HB3 SER A 62 8.443 -12.612 4.115 1.00 64.22 H new ATOM 0 HG SER A 62 9.342 -10.227 3.477 1.00 24.12 H new ATOM 975 N GLN A 63 8.276 -9.758 6.924 1.00 43.24 N ATOM 976 CA GLN A 63 8.587 -8.670 7.872 1.00 33.41 C ATOM 977 C GLN A 63 9.694 -7.746 7.319 1.00 51.42 C ATOM 978 O GLN A 63 9.690 -6.544 7.599 1.00 74.21 O ATOM 979 CB GLN A 63 8.989 -9.263 9.258 1.00 12.42 C ATOM 980 CG GLN A 63 9.205 -8.210 10.368 1.00 41.24 C ATOM 981 CD GLN A 63 7.966 -7.349 10.666 1.00 3.53 C ATOM 982 OE1 GLN A 63 6.827 -7.805 10.579 1.00 73.33 O ATOM 983 NE2 GLN A 63 8.183 -6.094 11.001 1.00 13.00 N ATOM 0 H GLN A 63 8.460 -10.689 7.298 1.00 43.24 H new ATOM 0 HA GLN A 63 7.692 -8.062 8.003 1.00 33.41 H new ATOM 0 HB2 GLN A 63 8.214 -9.958 9.580 1.00 12.42 H new ATOM 0 HB3 GLN A 63 9.906 -9.841 9.140 1.00 12.42 H new ATOM 0 HG2 GLN A 63 9.509 -8.719 11.283 1.00 41.24 H new ATOM 0 HG3 GLN A 63 10.028 -7.556 10.079 1.00 41.24 H new ATOM 0 HE21 GLN A 63 9.138 -5.741 11.066 1.00 13.00 H new ATOM 0 HE22 GLN A 63 7.396 -5.475 11.196 1.00 13.00 H new ATOM 992 N ASN A 64 10.608 -8.320 6.498 1.00 13.15 N ATOM 993 CA ASN A 64 11.701 -7.563 5.844 1.00 50.01 C ATOM 994 C ASN A 64 11.148 -6.405 4.994 1.00 71.42 C ATOM 995 O ASN A 64 11.600 -5.272 5.126 1.00 74.53 O ATOM 996 CB ASN A 64 12.590 -8.478 4.956 1.00 53.52 C ATOM 997 CG ASN A 64 13.385 -9.509 5.762 1.00 72.32 C ATOM 998 OD1 ASN A 64 12.964 -10.656 5.918 1.00 53.42 O ATOM 999 ND2 ASN A 64 14.526 -9.106 6.304 1.00 4.13 N ATOM 0 H ASN A 64 10.608 -9.315 6.272 1.00 13.15 H new ATOM 0 HA ASN A 64 12.318 -7.155 6.645 1.00 50.01 H new ATOM 0 HB2 ASN A 64 11.959 -8.998 4.235 1.00 53.52 H new ATOM 0 HB3 ASN A 64 13.283 -7.859 4.386 1.00 53.52 H new ATOM 0 HD21 ASN A 64 15.079 -9.752 6.867 1.00 4.13 H new ATOM 0 HD22 ASN A 64 14.850 -8.150 6.158 1.00 4.13 H new ATOM 1006 N ASP A 65 10.137 -6.717 4.163 1.00 3.11 N ATOM 1007 CA ASP A 65 9.481 -5.746 3.250 1.00 50.40 C ATOM 1008 C ASP A 65 8.862 -4.580 4.028 1.00 31.41 C ATOM 1009 O ASP A 65 9.025 -3.406 3.665 1.00 61.41 O ATOM 1010 CB ASP A 65 8.361 -6.441 2.436 1.00 73.21 C ATOM 1011 CG ASP A 65 8.863 -7.633 1.616 1.00 2.42 C ATOM 1012 OD1 ASP A 65 9.089 -8.710 2.207 1.00 3.34 O ATOM 1013 OD2 ASP A 65 9.043 -7.509 0.391 1.00 34.12 O ATOM 0 H ASP A 65 9.745 -7.656 4.101 1.00 3.11 H new ATOM 0 HA ASP A 65 10.250 -5.363 2.580 1.00 50.40 H new ATOM 0 HB2 ASP A 65 7.582 -6.780 3.118 1.00 73.21 H new ATOM 0 HB3 ASP A 65 7.903 -5.714 1.765 1.00 73.21 H new ATOM 1018 N VAL A 66 8.153 -4.943 5.107 1.00 1.41 N ATOM 1019 CA VAL A 66 7.458 -3.992 5.983 1.00 72.35 C ATOM 1020 C VAL A 66 8.481 -3.061 6.684 1.00 4.53 C ATOM 1021 O VAL A 66 8.239 -1.863 6.832 1.00 0.00 O ATOM 1022 CB VAL A 66 6.564 -4.755 7.042 1.00 14.42 C ATOM 1023 CG1 VAL A 66 5.729 -3.779 7.904 1.00 33.22 C ATOM 1024 CG2 VAL A 66 5.653 -5.803 6.345 1.00 73.24 C ATOM 0 H VAL A 66 8.046 -5.915 5.398 1.00 1.41 H new ATOM 0 HA VAL A 66 6.797 -3.376 5.373 1.00 72.35 H new ATOM 0 HB VAL A 66 7.239 -5.283 7.716 1.00 14.42 H new ATOM 0 HG11 VAL A 66 5.130 -4.345 8.618 1.00 33.22 H new ATOM 0 HG12 VAL A 66 6.397 -3.107 8.443 1.00 33.22 H new ATOM 0 HG13 VAL A 66 5.071 -3.196 7.260 1.00 33.22 H new ATOM 0 HG21 VAL A 66 5.048 -6.314 7.094 1.00 73.24 H new ATOM 0 HG22 VAL A 66 4.999 -5.300 5.632 1.00 73.24 H new ATOM 0 HG23 VAL A 66 6.272 -6.531 5.820 1.00 73.24 H new ATOM 1034 N ASN A 67 9.651 -3.625 7.050 1.00 53.41 N ATOM 1035 CA ASN A 67 10.730 -2.884 7.744 1.00 53.33 C ATOM 1036 C ASN A 67 11.428 -1.897 6.793 1.00 32.24 C ATOM 1037 O ASN A 67 11.623 -0.732 7.151 1.00 1.22 O ATOM 1038 CB ASN A 67 11.762 -3.860 8.375 1.00 65.04 C ATOM 1039 CG ASN A 67 11.194 -4.650 9.555 1.00 5.51 C ATOM 1040 OD1 ASN A 67 10.316 -4.175 10.278 1.00 4.13 O ATOM 1041 ND2 ASN A 67 11.686 -5.860 9.752 1.00 75.11 N ATOM 0 H ASN A 67 9.876 -4.604 6.874 1.00 53.41 H new ATOM 0 HA ASN A 67 10.270 -2.310 8.548 1.00 53.33 H new ATOM 0 HB2 ASN A 67 12.109 -4.557 7.612 1.00 65.04 H new ATOM 0 HB3 ASN A 67 12.632 -3.294 8.709 1.00 65.04 H new ATOM 0 HD21 ASN A 67 11.340 -6.432 10.522 1.00 75.11 H new ATOM 0 HD22 ASN A 67 12.412 -6.222 9.134 1.00 75.11 H new ATOM 1048 N GLU A 68 11.769 -2.364 5.567 1.00 31.34 N ATOM 1049 CA GLU A 68 12.407 -1.514 4.533 1.00 11.11 C ATOM 1050 C GLU A 68 11.499 -0.319 4.202 1.00 74.02 C ATOM 1051 O GLU A 68 11.966 0.821 4.065 1.00 3.24 O ATOM 1052 CB GLU A 68 12.717 -2.330 3.238 1.00 22.34 C ATOM 1053 CG GLU A 68 13.632 -3.557 3.437 1.00 75.13 C ATOM 1054 CD GLU A 68 14.982 -3.228 4.099 1.00 22.01 C ATOM 1055 OE1 GLU A 68 15.934 -2.857 3.389 1.00 51.11 O ATOM 1056 OE2 GLU A 68 15.101 -3.340 5.335 1.00 35.11 O ATOM 0 H GLU A 68 11.612 -3.327 5.270 1.00 31.34 H new ATOM 0 HA GLU A 68 13.353 -1.148 4.932 1.00 11.11 H new ATOM 0 HB2 GLU A 68 11.775 -2.666 2.805 1.00 22.34 H new ATOM 0 HB3 GLU A 68 13.182 -1.664 2.511 1.00 22.34 H new ATOM 0 HG2 GLU A 68 13.109 -4.293 4.048 1.00 75.13 H new ATOM 0 HG3 GLU A 68 13.817 -4.021 2.468 1.00 75.13 H new ATOM 1063 N PHE A 69 10.185 -0.612 4.154 1.00 40.34 N ATOM 1064 CA PHE A 69 9.148 0.361 3.817 1.00 23.03 C ATOM 1065 C PHE A 69 9.093 1.484 4.861 1.00 20.20 C ATOM 1066 O PHE A 69 9.295 2.662 4.539 1.00 62.25 O ATOM 1067 CB PHE A 69 7.766 -0.337 3.683 1.00 24.31 C ATOM 1068 CG PHE A 69 6.714 0.534 2.996 1.00 1.43 C ATOM 1069 CD1 PHE A 69 6.664 0.609 1.602 1.00 71.33 C ATOM 1070 CD2 PHE A 69 5.800 1.292 3.732 1.00 65.23 C ATOM 1071 CE1 PHE A 69 5.734 1.405 0.969 1.00 0.04 C ATOM 1072 CE2 PHE A 69 4.872 2.090 3.095 1.00 51.13 C ATOM 1073 CZ PHE A 69 4.839 2.144 1.715 1.00 41.54 C ATOM 0 H PHE A 69 9.818 -1.543 4.352 1.00 40.34 H new ATOM 0 HA PHE A 69 9.399 0.808 2.855 1.00 23.03 H new ATOM 0 HB2 PHE A 69 7.887 -1.262 3.119 1.00 24.31 H new ATOM 0 HB3 PHE A 69 7.408 -0.613 4.675 1.00 24.31 H new ATOM 0 HD1 PHE A 69 7.364 0.035 1.012 1.00 71.33 H new ATOM 0 HD2 PHE A 69 5.820 1.253 4.811 1.00 65.23 H new ATOM 0 HE1 PHE A 69 5.706 1.450 -0.110 1.00 0.04 H new ATOM 0 HE2 PHE A 69 4.172 2.672 3.675 1.00 51.13 H new ATOM 0 HZ PHE A 69 4.110 2.767 1.218 1.00 41.54 H new ATOM 1083 N GLN A 70 8.871 1.079 6.120 1.00 62.43 N ATOM 1084 CA GLN A 70 8.689 1.999 7.249 1.00 73.51 C ATOM 1085 C GLN A 70 9.939 2.861 7.494 1.00 44.34 C ATOM 1086 O GLN A 70 9.821 4.077 7.630 1.00 1.24 O ATOM 1087 CB GLN A 70 8.327 1.219 8.532 1.00 62.01 C ATOM 1088 CG GLN A 70 6.982 0.479 8.484 1.00 33.54 C ATOM 1089 CD GLN A 70 6.699 -0.266 9.785 1.00 64.22 C ATOM 1090 OE1 GLN A 70 7.150 -1.507 9.879 1.00 1.14 O flip ATOM 1091 NE2 GLN A 70 6.107 0.288 10.710 1.00 31.34 N flip ATOM 0 H GLN A 70 8.813 0.095 6.384 1.00 62.43 H new ATOM 0 HA GLN A 70 7.868 2.667 6.991 1.00 73.51 H new ATOM 0 HB2 GLN A 70 9.116 0.495 8.734 1.00 62.01 H new ATOM 0 HB3 GLN A 70 8.312 1.915 9.370 1.00 62.01 H new ATOM 0 HG2 GLN A 70 6.181 1.193 8.292 1.00 33.54 H new ATOM 0 HG3 GLN A 70 6.985 -0.227 7.654 1.00 33.54 H new ATOM 0 HE21 GLN A 70 5.774 1.246 10.601 1.00 31.34 H new ATOM 0 HE22 GLN A 70 5.950 -0.210 11.586 1.00 31.34 H new ATOM 1100 N ASN A 71 11.129 2.217 7.522 1.00 12.21 N ATOM 1101 CA ASN A 71 12.412 2.908 7.811 1.00 13.10 C ATOM 1102 C ASN A 71 12.736 3.966 6.739 1.00 11.25 C ATOM 1103 O ASN A 71 12.961 5.134 7.077 1.00 2.43 O ATOM 1104 CB ASN A 71 13.597 1.897 7.964 1.00 13.42 C ATOM 1105 CG ASN A 71 13.688 1.270 9.362 1.00 31.52 C ATOM 1106 OD1 ASN A 71 14.348 1.807 10.254 1.00 22.22 O ATOM 1107 ND2 ASN A 71 13.057 0.124 9.568 1.00 53.22 N ATOM 0 H ASN A 71 11.229 1.217 7.348 1.00 12.21 H new ATOM 0 HA ASN A 71 12.287 3.419 8.766 1.00 13.10 H new ATOM 0 HB2 ASN A 71 13.485 1.104 7.225 1.00 13.42 H new ATOM 0 HB3 ASN A 71 14.533 2.410 7.742 1.00 13.42 H new ATOM 0 HD21 ASN A 71 13.112 -0.332 10.479 1.00 53.22 H new ATOM 0 HD22 ASN A 71 12.516 -0.303 8.816 1.00 53.22 H new ATOM 1114 N GLU A 72 12.711 3.560 5.449 1.00 23.01 N ATOM 1115 CA GLU A 72 13.054 4.465 4.327 1.00 74.54 C ATOM 1116 C GLU A 72 12.000 5.567 4.121 1.00 13.43 C ATOM 1117 O GLU A 72 12.303 6.610 3.533 1.00 32.53 O ATOM 1118 CB GLU A 72 13.302 3.690 3.011 1.00 21.10 C ATOM 1119 CG GLU A 72 14.483 2.708 3.060 1.00 61.22 C ATOM 1120 CD GLU A 72 15.817 3.358 3.490 1.00 45.14 C ATOM 1121 OE1 GLU A 72 16.416 4.105 2.681 1.00 2.12 O ATOM 1122 OE2 GLU A 72 16.280 3.113 4.634 1.00 65.51 O ATOM 0 H GLU A 72 12.458 2.615 5.159 1.00 23.01 H new ATOM 0 HA GLU A 72 13.987 4.953 4.607 1.00 74.54 H new ATOM 0 HB2 GLU A 72 12.398 3.138 2.754 1.00 21.10 H new ATOM 0 HB3 GLU A 72 13.476 4.408 2.209 1.00 21.10 H new ATOM 0 HG2 GLU A 72 14.243 1.900 3.752 1.00 61.22 H new ATOM 0 HG3 GLU A 72 14.610 2.257 2.076 1.00 61.22 H new ATOM 1129 N ALA A 73 10.770 5.329 4.594 1.00 75.42 N ATOM 1130 CA ALA A 73 9.716 6.352 4.588 1.00 73.54 C ATOM 1131 C ALA A 73 9.952 7.412 5.696 1.00 4.12 C ATOM 1132 O ALA A 73 10.115 8.600 5.394 1.00 64.13 O ATOM 1133 CB ALA A 73 8.340 5.697 4.732 1.00 63.03 C ATOM 0 H ALA A 73 10.479 4.434 4.987 1.00 75.42 H new ATOM 0 HA ALA A 73 9.750 6.872 3.631 1.00 73.54 H new ATOM 0 HB1 ALA A 73 7.568 6.467 4.726 1.00 63.03 H new ATOM 0 HB2 ALA A 73 8.175 5.011 3.901 1.00 63.03 H new ATOM 0 HB3 ALA A 73 8.296 5.146 5.672 1.00 63.03 H new ATOM 1139 N LYS A 74 10.011 6.965 6.973 1.00 25.22 N ATOM 1140 CA LYS A 74 10.067 7.870 8.157 1.00 72.42 C ATOM 1141 C LYS A 74 11.363 8.706 8.208 1.00 13.04 C ATOM 1142 O LYS A 74 11.349 9.840 8.701 1.00 51.02 O ATOM 1143 CB LYS A 74 9.829 7.080 9.498 1.00 62.34 C ATOM 1144 CG LYS A 74 10.858 5.976 9.867 1.00 22.41 C ATOM 1145 CD LYS A 74 12.103 6.496 10.621 1.00 73.54 C ATOM 1146 CE LYS A 74 13.152 5.403 10.851 1.00 60.43 C ATOM 1147 NZ LYS A 74 14.349 5.927 11.558 1.00 62.14 N ATOM 0 H LYS A 74 10.021 5.974 7.216 1.00 25.22 H new ATOM 0 HA LYS A 74 9.249 8.582 8.043 1.00 72.42 H new ATOM 0 HB2 LYS A 74 9.801 7.802 10.314 1.00 62.34 H new ATOM 0 HB3 LYS A 74 8.843 6.618 9.447 1.00 62.34 H new ATOM 0 HG2 LYS A 74 10.363 5.224 10.482 1.00 22.41 H new ATOM 0 HG3 LYS A 74 11.182 5.478 8.954 1.00 22.41 H new ATOM 0 HD2 LYS A 74 12.552 7.312 10.054 1.00 73.54 H new ATOM 0 HD3 LYS A 74 11.795 6.907 11.582 1.00 73.54 H new ATOM 0 HE2 LYS A 74 12.712 4.593 11.433 1.00 60.43 H new ATOM 0 HE3 LYS A 74 13.452 4.980 9.892 1.00 60.43 H new ATOM 0 HZ1 LYS A 74 15.036 5.158 11.695 1.00 62.14 H new ATOM 0 HZ2 LYS A 74 14.784 6.683 10.991 1.00 62.14 H new ATOM 0 HZ3 LYS A 74 14.066 6.308 12.484 1.00 62.14 H new ATOM 1161 N LYS A 75 12.476 8.151 7.681 1.00 15.02 N ATOM 1162 CA LYS A 75 13.782 8.856 7.660 1.00 62.44 C ATOM 1163 C LYS A 75 13.726 10.061 6.707 1.00 62.33 C ATOM 1164 O LYS A 75 14.349 11.091 6.957 1.00 42.41 O ATOM 1165 CB LYS A 75 14.939 7.901 7.255 1.00 50.13 C ATOM 1166 CG LYS A 75 14.890 7.397 5.799 1.00 24.43 C ATOM 1167 CD LYS A 75 16.058 6.461 5.431 1.00 12.41 C ATOM 1168 CE LYS A 75 17.431 7.143 5.485 1.00 74.30 C ATOM 1169 NZ LYS A 75 18.522 6.185 5.163 1.00 41.34 N ATOM 0 H LYS A 75 12.499 7.220 7.265 1.00 15.02 H new ATOM 0 HA LYS A 75 13.982 9.213 8.670 1.00 62.44 H new ATOM 0 HB2 LYS A 75 15.887 8.416 7.414 1.00 50.13 H new ATOM 0 HB3 LYS A 75 14.929 7.039 7.922 1.00 50.13 H new ATOM 0 HG2 LYS A 75 13.949 6.871 5.637 1.00 24.43 H new ATOM 0 HG3 LYS A 75 14.896 8.254 5.126 1.00 24.43 H new ATOM 0 HD2 LYS A 75 16.058 5.609 6.111 1.00 12.41 H new ATOM 0 HD3 LYS A 75 15.896 6.068 4.427 1.00 12.41 H new ATOM 0 HE2 LYS A 75 17.455 7.975 4.781 1.00 74.30 H new ATOM 0 HE3 LYS A 75 17.593 7.562 6.478 1.00 74.30 H new ATOM 0 HZ1 LYS A 75 19.438 6.675 5.207 1.00 41.34 H new ATOM 0 HZ2 LYS A 75 18.513 5.405 5.850 1.00 41.34 H new ATOM 0 HZ3 LYS A 75 18.379 5.805 4.206 1.00 41.34 H new ATOM 1183 N GLU A 76 12.944 9.901 5.626 1.00 45.02 N ATOM 1184 CA GLU A 76 12.724 10.928 4.599 1.00 34.40 C ATOM 1185 C GLU A 76 11.519 11.806 4.948 1.00 43.21 C ATOM 1186 O GLU A 76 11.280 12.831 4.297 1.00 52.44 O ATOM 1187 CB GLU A 76 12.503 10.232 3.233 1.00 61.12 C ATOM 1188 CG GLU A 76 13.713 9.418 2.740 1.00 4.42 C ATOM 1189 CD GLU A 76 14.997 10.258 2.662 1.00 71.33 C ATOM 1190 OE1 GLU A 76 15.055 11.179 1.815 1.00 60.01 O ATOM 1191 OE2 GLU A 76 15.940 10.023 3.454 1.00 32.14 O ATOM 0 H GLU A 76 12.438 9.035 5.440 1.00 45.02 H new ATOM 0 HA GLU A 76 13.600 11.574 4.548 1.00 34.40 H new ATOM 0 HB2 GLU A 76 11.640 9.570 3.310 1.00 61.12 H new ATOM 0 HB3 GLU A 76 12.259 10.988 2.487 1.00 61.12 H new ATOM 0 HG2 GLU A 76 13.876 8.574 3.410 1.00 4.42 H new ATOM 0 HG3 GLU A 76 13.492 9.006 1.755 1.00 4.42 H new ATOM 1198 N GLY A 77 10.762 11.365 5.971 1.00 51.34 N ATOM 1199 CA GLY A 77 9.554 12.038 6.421 1.00 52.32 C ATOM 1200 C GLY A 77 8.369 11.851 5.484 1.00 31.03 C ATOM 1201 O GLY A 77 7.442 12.673 5.467 1.00 63.42 O ATOM 0 H GLY A 77 10.983 10.524 6.505 1.00 51.34 H new ATOM 0 HA2 GLY A 77 9.287 11.665 7.410 1.00 52.32 H new ATOM 0 HA3 GLY A 77 9.759 13.103 6.526 1.00 52.32 H new ATOM 1205 N VAL A 78 8.422 10.774 4.690 1.00 12.23 N ATOM 1206 CA VAL A 78 7.297 10.317 3.875 1.00 32.13 C ATOM 1207 C VAL A 78 6.237 9.716 4.810 1.00 73.01 C ATOM 1208 O VAL A 78 6.536 8.802 5.597 1.00 52.12 O ATOM 1209 CB VAL A 78 7.752 9.256 2.801 1.00 44.24 C ATOM 1210 CG1 VAL A 78 6.554 8.713 1.985 1.00 2.11 C ATOM 1211 CG2 VAL A 78 8.846 9.843 1.877 1.00 41.31 C ATOM 0 H VAL A 78 9.255 10.193 4.597 1.00 12.23 H new ATOM 0 HA VAL A 78 6.883 11.164 3.328 1.00 32.13 H new ATOM 0 HB VAL A 78 8.181 8.409 3.336 1.00 44.24 H new ATOM 0 HG11 VAL A 78 6.910 7.985 1.256 1.00 2.11 H new ATOM 0 HG12 VAL A 78 5.842 8.234 2.658 1.00 2.11 H new ATOM 0 HG13 VAL A 78 6.064 9.537 1.465 1.00 2.11 H new ATOM 0 HG21 VAL A 78 9.144 9.093 1.144 1.00 41.31 H new ATOM 0 HG22 VAL A 78 8.454 10.719 1.361 1.00 41.31 H new ATOM 0 HG23 VAL A 78 9.711 10.131 2.475 1.00 41.31 H new ATOM 1221 N SER A 79 5.020 10.264 4.732 1.00 23.33 N ATOM 1222 CA SER A 79 3.897 9.851 5.566 1.00 74.12 C ATOM 1223 C SER A 79 3.350 8.490 5.076 1.00 45.04 C ATOM 1224 O SER A 79 2.958 8.352 3.922 1.00 4.31 O ATOM 1225 CB SER A 79 2.814 10.954 5.531 1.00 24.00 C ATOM 1226 OG SER A 79 3.331 12.211 5.968 1.00 10.11 O ATOM 0 H SER A 79 4.789 11.014 4.080 1.00 23.33 H new ATOM 0 HA SER A 79 4.219 9.719 6.599 1.00 74.12 H new ATOM 0 HB2 SER A 79 2.426 11.052 4.517 1.00 24.00 H new ATOM 0 HB3 SER A 79 1.977 10.663 6.166 1.00 24.00 H new ATOM 0 HG SER A 79 2.622 12.887 5.932 1.00 10.11 H new ATOM 1232 N TYR A 80 3.391 7.475 5.951 1.00 13.10 N ATOM 1233 CA TYR A 80 2.856 6.135 5.671 1.00 12.20 C ATOM 1234 C TYR A 80 1.848 5.748 6.758 1.00 74.32 C ATOM 1235 O TYR A 80 2.067 6.004 7.951 1.00 24.21 O ATOM 1236 CB TYR A 80 4.004 5.089 5.565 1.00 32.41 C ATOM 1237 CG TYR A 80 4.851 4.922 6.831 1.00 0.33 C ATOM 1238 CD1 TYR A 80 5.832 5.857 7.162 1.00 13.05 C ATOM 1239 CD2 TYR A 80 4.682 3.832 7.691 1.00 71.23 C ATOM 1240 CE1 TYR A 80 6.596 5.721 8.295 1.00 71.52 C ATOM 1241 CE2 TYR A 80 5.451 3.700 8.830 1.00 22.32 C ATOM 1242 CZ TYR A 80 6.410 4.643 9.123 1.00 3.52 C ATOM 1243 OH TYR A 80 7.176 4.517 10.256 1.00 20.35 O ATOM 0 H TYR A 80 3.800 7.562 6.881 1.00 13.10 H new ATOM 0 HA TYR A 80 2.343 6.150 4.709 1.00 12.20 H new ATOM 0 HB2 TYR A 80 3.571 4.123 5.306 1.00 32.41 H new ATOM 0 HB3 TYR A 80 4.660 5.375 4.743 1.00 32.41 H new ATOM 0 HD1 TYR A 80 5.994 6.705 6.514 1.00 13.05 H new ATOM 0 HD2 TYR A 80 3.939 3.083 7.461 1.00 71.23 H new ATOM 0 HE1 TYR A 80 7.343 6.463 8.534 1.00 71.52 H new ATOM 0 HE2 TYR A 80 5.300 2.858 9.490 1.00 22.32 H new ATOM 0 HH TYR A 80 6.921 3.701 10.734 1.00 20.35 H new ATOM 1253 N ASP A 81 0.737 5.157 6.321 1.00 20.23 N ATOM 1254 CA ASP A 81 -0.358 4.702 7.187 1.00 54.32 C ATOM 1255 C ASP A 81 -0.545 3.214 6.926 1.00 0.41 C ATOM 1256 O ASP A 81 -0.839 2.828 5.790 1.00 54.21 O ATOM 1257 CB ASP A 81 -1.672 5.457 6.831 1.00 23.32 C ATOM 1258 CG ASP A 81 -1.563 6.989 6.957 1.00 32.22 C ATOM 1259 OD1 ASP A 81 -1.046 7.639 6.014 1.00 2.35 O ATOM 1260 OD2 ASP A 81 -1.981 7.556 7.994 1.00 0.23 O ATOM 0 H ASP A 81 0.566 4.975 5.332 1.00 20.23 H new ATOM 0 HA ASP A 81 -0.124 4.895 8.234 1.00 54.32 H new ATOM 0 HB2 ASP A 81 -1.959 5.205 5.810 1.00 23.32 H new ATOM 0 HB3 ASP A 81 -2.471 5.104 7.483 1.00 23.32 H new ATOM 1265 N VAL A 82 -0.385 2.382 7.957 1.00 44.34 N ATOM 1266 CA VAL A 82 -0.496 0.921 7.799 1.00 44.43 C ATOM 1267 C VAL A 82 -1.949 0.481 8.067 1.00 24.25 C ATOM 1268 O VAL A 82 -2.634 1.041 8.931 1.00 54.10 O ATOM 1269 CB VAL A 82 0.519 0.134 8.715 1.00 13.11 C ATOM 1270 CG1 VAL A 82 0.482 -1.382 8.397 1.00 50.22 C ATOM 1271 CG2 VAL A 82 1.958 0.698 8.560 1.00 4.51 C ATOM 0 H VAL A 82 -0.179 2.688 8.908 1.00 44.34 H new ATOM 0 HA VAL A 82 -0.229 0.674 6.771 1.00 44.43 H new ATOM 0 HB VAL A 82 0.215 0.270 9.753 1.00 13.11 H new ATOM 0 HG11 VAL A 82 1.189 -1.906 9.040 1.00 50.22 H new ATOM 0 HG12 VAL A 82 -0.523 -1.766 8.574 1.00 50.22 H new ATOM 0 HG13 VAL A 82 0.753 -1.542 7.353 1.00 50.22 H new ATOM 0 HG21 VAL A 82 2.639 0.139 9.202 1.00 4.51 H new ATOM 0 HG22 VAL A 82 2.276 0.602 7.522 1.00 4.51 H new ATOM 0 HG23 VAL A 82 1.970 1.749 8.848 1.00 4.51 H new ATOM 1281 N LEU A 83 -2.395 -0.519 7.305 1.00 34.14 N ATOM 1282 CA LEU A 83 -3.764 -1.016 7.314 1.00 71.55 C ATOM 1283 C LEU A 83 -3.700 -2.544 7.409 1.00 3.31 C ATOM 1284 O LEU A 83 -3.502 -3.225 6.403 1.00 71.20 O ATOM 1285 CB LEU A 83 -4.462 -0.553 6.003 1.00 61.22 C ATOM 1286 CG LEU A 83 -5.943 -0.982 5.810 1.00 41.44 C ATOM 1287 CD1 LEU A 83 -6.851 -0.387 6.902 1.00 34.01 C ATOM 1288 CD2 LEU A 83 -6.436 -0.616 4.392 1.00 23.42 C ATOM 0 H LEU A 83 -1.794 -1.017 6.648 1.00 34.14 H new ATOM 0 HA LEU A 83 -4.336 -0.631 8.158 1.00 71.55 H new ATOM 0 HB2 LEU A 83 -4.415 0.535 5.959 1.00 61.22 H new ATOM 0 HB3 LEU A 83 -3.886 -0.932 5.159 1.00 61.22 H new ATOM 0 HG LEU A 83 -5.996 -2.066 5.912 1.00 41.44 H new ATOM 0 HD11 LEU A 83 -7.879 -0.708 6.735 1.00 34.01 H new ATOM 0 HD12 LEU A 83 -6.517 -0.732 7.881 1.00 34.01 H new ATOM 0 HD13 LEU A 83 -6.800 0.701 6.864 1.00 34.01 H new ATOM 0 HD21 LEU A 83 -7.475 -0.925 4.277 1.00 23.42 H new ATOM 0 HD22 LEU A 83 -6.359 0.462 4.247 1.00 23.42 H new ATOM 0 HD23 LEU A 83 -5.822 -1.126 3.650 1.00 23.42 H new ATOM 1300 N LYS A 84 -3.810 -3.072 8.638 1.00 30.51 N ATOM 1301 CA LYS A 84 -3.721 -4.519 8.882 1.00 2.33 C ATOM 1302 C LYS A 84 -5.142 -5.091 8.971 1.00 3.53 C ATOM 1303 O LYS A 84 -5.774 -5.039 10.033 1.00 14.32 O ATOM 1304 CB LYS A 84 -2.940 -4.795 10.203 1.00 54.33 C ATOM 1305 CG LYS A 84 -2.511 -6.270 10.395 1.00 11.25 C ATOM 1306 CD LYS A 84 -1.286 -6.664 9.539 1.00 11.45 C ATOM 1307 CE LYS A 84 0.023 -6.020 10.039 1.00 12.10 C ATOM 1308 NZ LYS A 84 0.365 -6.430 11.429 1.00 60.40 N ATOM 0 H LYS A 84 -3.961 -2.516 9.480 1.00 30.51 H new ATOM 0 HA LYS A 84 -3.184 -5.000 8.064 1.00 2.33 H new ATOM 0 HB2 LYS A 84 -2.051 -4.165 10.224 1.00 54.33 H new ATOM 0 HB3 LYS A 84 -3.561 -4.497 11.047 1.00 54.33 H new ATOM 0 HG2 LYS A 84 -2.281 -6.441 11.447 1.00 11.25 H new ATOM 0 HG3 LYS A 84 -3.348 -6.921 10.142 1.00 11.25 H new ATOM 0 HD2 LYS A 84 -1.178 -7.749 9.545 1.00 11.45 H new ATOM 0 HD3 LYS A 84 -1.460 -6.367 8.505 1.00 11.45 H new ATOM 0 HE2 LYS A 84 0.839 -6.297 9.371 1.00 12.10 H new ATOM 0 HE3 LYS A 84 -0.070 -4.935 9.996 1.00 12.10 H new ATOM 0 HZ1 LYS A 84 1.351 -6.171 11.635 1.00 60.40 H new ATOM 0 HZ2 LYS A 84 -0.267 -5.946 12.099 1.00 60.40 H new ATOM 0 HZ3 LYS A 84 0.250 -7.459 11.526 1.00 60.40 H new ATOM 1322 N SER A 85 -5.628 -5.646 7.855 1.00 33.30 N ATOM 1323 CA SER A 85 -7.009 -6.157 7.733 1.00 23.24 C ATOM 1324 C SER A 85 -7.030 -7.352 6.766 1.00 21.03 C ATOM 1325 O SER A 85 -5.999 -7.692 6.194 1.00 72.32 O ATOM 1326 CB SER A 85 -7.948 -5.035 7.221 1.00 2.31 C ATOM 1327 OG SER A 85 -7.890 -3.873 8.038 1.00 24.24 O ATOM 0 H SER A 85 -5.076 -5.756 7.004 1.00 33.30 H new ATOM 0 HA SER A 85 -7.361 -6.483 8.712 1.00 23.24 H new ATOM 0 HB2 SER A 85 -7.675 -4.773 6.199 1.00 2.31 H new ATOM 0 HB3 SER A 85 -8.973 -5.406 7.192 1.00 2.31 H new ATOM 0 HG SER A 85 -8.800 -3.572 8.243 1.00 24.24 H new ATOM 1333 N THR A 86 -8.205 -7.988 6.605 1.00 14.24 N ATOM 1334 CA THR A 86 -8.411 -9.111 5.655 1.00 52.40 C ATOM 1335 C THR A 86 -9.781 -8.994 4.957 1.00 71.14 C ATOM 1336 O THR A 86 -10.043 -9.724 3.996 1.00 2.04 O ATOM 1337 CB THR A 86 -8.300 -10.510 6.369 1.00 5.11 C ATOM 1338 OG1 THR A 86 -9.106 -10.519 7.563 1.00 53.12 O ATOM 1339 CG2 THR A 86 -6.841 -10.869 6.725 1.00 34.02 C ATOM 0 H THR A 86 -9.045 -7.741 7.129 1.00 14.24 H new ATOM 0 HA THR A 86 -7.619 -9.045 4.909 1.00 52.40 H new ATOM 0 HB THR A 86 -8.664 -11.261 5.668 1.00 5.11 H new ATOM 0 HG1 THR A 86 -9.033 -11.393 8.000 1.00 53.12 H new ATOM 0 HG21 THR A 86 -6.815 -11.842 7.215 1.00 34.02 H new ATOM 0 HG22 THR A 86 -6.243 -10.905 5.815 1.00 34.02 H new ATOM 0 HG23 THR A 86 -6.434 -10.113 7.397 1.00 34.02 H new ATOM 1347 N ASP A 87 -10.652 -8.082 5.446 1.00 13.43 N ATOM 1348 CA ASP A 87 -12.011 -7.879 4.894 1.00 33.13 C ATOM 1349 C ASP A 87 -11.934 -7.126 3.551 1.00 73.43 C ATOM 1350 O ASP A 87 -11.508 -5.972 3.548 1.00 63.13 O ATOM 1351 CB ASP A 87 -12.907 -7.076 5.878 1.00 63.10 C ATOM 1352 CG ASP A 87 -13.093 -7.781 7.224 1.00 75.43 C ATOM 1353 OD1 ASP A 87 -13.933 -8.699 7.309 1.00 2.21 O ATOM 1354 OD2 ASP A 87 -12.388 -7.442 8.192 1.00 70.30 O ATOM 0 H ASP A 87 -10.434 -7.468 6.231 1.00 13.43 H new ATOM 0 HA ASP A 87 -12.454 -8.863 4.741 1.00 33.13 H new ATOM 0 HB2 ASP A 87 -12.464 -6.094 6.046 1.00 63.10 H new ATOM 0 HB3 ASP A 87 -13.883 -6.912 5.421 1.00 63.10 H new ATOM 1359 N PRO A 88 -12.356 -7.754 2.402 1.00 54.25 N ATOM 1360 CA PRO A 88 -12.304 -7.119 1.060 1.00 10.53 C ATOM 1361 C PRO A 88 -13.138 -5.828 0.973 1.00 51.43 C ATOM 1362 O PRO A 88 -12.699 -4.846 0.360 1.00 62.12 O ATOM 1363 CB PRO A 88 -12.844 -8.220 0.098 1.00 54.23 C ATOM 1364 CG PRO A 88 -13.610 -9.156 0.983 1.00 30.35 C ATOM 1365 CD PRO A 88 -12.894 -9.138 2.313 1.00 4.34 C ATOM 0 HA PRO A 88 -11.294 -6.796 0.809 1.00 10.53 H new ATOM 0 HB2 PRO A 88 -13.484 -7.792 -0.674 1.00 54.23 H new ATOM 0 HB3 PRO A 88 -12.030 -8.735 -0.412 1.00 54.23 H new ATOM 0 HG2 PRO A 88 -14.645 -8.833 1.091 1.00 30.35 H new ATOM 0 HG3 PRO A 88 -13.632 -10.162 0.564 1.00 30.35 H new ATOM 0 HD2 PRO A 88 -13.573 -9.358 3.137 1.00 4.34 H new ATOM 0 HD3 PRO A 88 -12.097 -9.881 2.350 1.00 4.34 H new ATOM 1373 N GLU A 89 -14.327 -5.839 1.605 1.00 54.45 N ATOM 1374 CA GLU A 89 -15.224 -4.666 1.643 1.00 44.02 C ATOM 1375 C GLU A 89 -14.568 -3.477 2.375 1.00 44.31 C ATOM 1376 O GLU A 89 -14.617 -2.331 1.891 1.00 23.35 O ATOM 1377 CB GLU A 89 -16.582 -5.023 2.309 1.00 10.14 C ATOM 1378 CG GLU A 89 -16.473 -5.596 3.744 1.00 12.33 C ATOM 1379 CD GLU A 89 -17.801 -5.584 4.513 1.00 3.14 C ATOM 1380 OE1 GLU A 89 -18.200 -4.508 5.001 1.00 51.41 O ATOM 1381 OE2 GLU A 89 -18.462 -6.635 4.627 1.00 12.34 O ATOM 0 H GLU A 89 -14.691 -6.653 2.100 1.00 54.45 H new ATOM 0 HA GLU A 89 -15.411 -4.368 0.611 1.00 44.02 H new ATOM 0 HB2 GLU A 89 -17.203 -4.128 2.337 1.00 10.14 H new ATOM 0 HB3 GLU A 89 -17.098 -5.749 1.681 1.00 10.14 H new ATOM 0 HG2 GLU A 89 -16.103 -6.620 3.690 1.00 12.33 H new ATOM 0 HG3 GLU A 89 -15.735 -5.019 4.301 1.00 12.33 H new ATOM 1388 N GLU A 90 -13.916 -3.775 3.519 1.00 24.20 N ATOM 1389 CA GLU A 90 -13.280 -2.763 4.362 1.00 44.12 C ATOM 1390 C GLU A 90 -12.100 -2.141 3.626 1.00 11.54 C ATOM 1391 O GLU A 90 -12.016 -0.929 3.526 1.00 2.22 O ATOM 1392 CB GLU A 90 -12.836 -3.363 5.718 1.00 64.40 C ATOM 1393 CG GLU A 90 -12.187 -2.342 6.669 1.00 73.32 C ATOM 1394 CD GLU A 90 -11.898 -2.919 8.055 1.00 12.22 C ATOM 1395 OE1 GLU A 90 -10.860 -3.586 8.223 1.00 0.21 O ATOM 1396 OE2 GLU A 90 -12.706 -2.710 8.989 1.00 13.31 O ATOM 0 H GLU A 90 -13.821 -4.726 3.876 1.00 24.20 H new ATOM 0 HA GLU A 90 -14.009 -1.982 4.576 1.00 44.12 H new ATOM 0 HB2 GLU A 90 -13.703 -3.804 6.210 1.00 64.40 H new ATOM 0 HB3 GLU A 90 -12.130 -4.172 5.532 1.00 64.40 H new ATOM 0 HG2 GLU A 90 -11.256 -1.984 6.229 1.00 73.32 H new ATOM 0 HG3 GLU A 90 -12.845 -1.479 6.770 1.00 73.32 H new ATOM 1403 N LEU A 91 -11.237 -2.996 3.053 1.00 62.23 N ATOM 1404 CA LEU A 91 -10.046 -2.556 2.306 1.00 5.31 C ATOM 1405 C LEU A 91 -10.432 -1.617 1.139 1.00 12.31 C ATOM 1406 O LEU A 91 -9.784 -0.594 0.937 1.00 62.42 O ATOM 1407 CB LEU A 91 -9.240 -3.770 1.775 1.00 13.12 C ATOM 1408 CG LEU A 91 -8.597 -4.715 2.836 1.00 52.22 C ATOM 1409 CD1 LEU A 91 -7.850 -5.880 2.154 1.00 41.05 C ATOM 1410 CD2 LEU A 91 -7.661 -3.944 3.784 1.00 11.13 C ATOM 0 H LEU A 91 -11.344 -4.009 3.094 1.00 62.23 H new ATOM 0 HA LEU A 91 -9.414 -1.999 2.998 1.00 5.31 H new ATOM 0 HB2 LEU A 91 -9.902 -4.367 1.147 1.00 13.12 H new ATOM 0 HB3 LEU A 91 -8.445 -3.393 1.132 1.00 13.12 H new ATOM 0 HG LEU A 91 -9.404 -5.133 3.437 1.00 52.22 H new ATOM 0 HD11 LEU A 91 -7.410 -6.525 2.915 1.00 41.05 H new ATOM 0 HD12 LEU A 91 -8.550 -6.457 1.550 1.00 41.05 H new ATOM 0 HD13 LEU A 91 -7.061 -5.482 1.515 1.00 41.05 H new ATOM 0 HD21 LEU A 91 -7.230 -4.633 4.510 1.00 11.13 H new ATOM 0 HD22 LEU A 91 -6.862 -3.479 3.207 1.00 11.13 H new ATOM 0 HD23 LEU A 91 -8.227 -3.173 4.307 1.00 11.13 H new ATOM 1422 N THR A 92 -11.525 -1.959 0.420 1.00 53.10 N ATOM 1423 CA THR A 92 -12.035 -1.158 -0.715 1.00 53.54 C ATOM 1424 C THR A 92 -12.469 0.255 -0.253 1.00 61.10 C ATOM 1425 O THR A 92 -12.088 1.269 -0.873 1.00 11.35 O ATOM 1426 CB THR A 92 -13.228 -1.893 -1.430 1.00 44.43 C ATOM 1427 OG1 THR A 92 -12.788 -3.172 -1.922 1.00 55.14 O ATOM 1428 CG2 THR A 92 -13.817 -1.084 -2.609 1.00 34.14 C ATOM 0 H THR A 92 -12.077 -2.796 0.610 1.00 53.10 H new ATOM 0 HA THR A 92 -11.221 -1.045 -1.431 1.00 53.54 H new ATOM 0 HB THR A 92 -14.013 -2.010 -0.683 1.00 44.43 H new ATOM 0 HG1 THR A 92 -12.732 -3.807 -1.178 1.00 55.14 H new ATOM 0 HG21 THR A 92 -14.636 -1.644 -3.061 1.00 34.14 H new ATOM 0 HG22 THR A 92 -14.190 -0.127 -2.243 1.00 34.14 H new ATOM 0 HG23 THR A 92 -13.041 -0.910 -3.355 1.00 34.14 H new ATOM 1436 N GLN A 93 -13.236 0.325 0.859 1.00 33.50 N ATOM 1437 CA GLN A 93 -13.699 1.618 1.398 1.00 55.14 C ATOM 1438 C GLN A 93 -12.545 2.375 2.088 1.00 22.14 C ATOM 1439 O GLN A 93 -12.566 3.596 2.156 1.00 63.31 O ATOM 1440 CB GLN A 93 -14.965 1.455 2.307 1.00 0.12 C ATOM 1441 CG GLN A 93 -14.794 0.704 3.656 1.00 34.14 C ATOM 1442 CD GLN A 93 -14.149 1.514 4.795 1.00 13.42 C ATOM 1443 OE1 GLN A 93 -13.442 0.965 5.632 1.00 73.21 O ATOM 1444 NE2 GLN A 93 -14.394 2.823 4.838 1.00 72.11 N ATOM 0 H GLN A 93 -13.542 -0.489 1.392 1.00 33.50 H new ATOM 0 HA GLN A 93 -14.020 2.238 0.561 1.00 55.14 H new ATOM 0 HB2 GLN A 93 -15.352 2.450 2.524 1.00 0.12 H new ATOM 0 HB3 GLN A 93 -15.729 0.935 1.728 1.00 0.12 H new ATOM 0 HG2 GLN A 93 -15.775 0.363 3.988 1.00 34.14 H new ATOM 0 HG3 GLN A 93 -14.190 -0.186 3.481 1.00 34.14 H new ATOM 0 HE21 GLN A 93 -14.986 3.255 4.128 1.00 72.11 H new ATOM 0 HE22 GLN A 93 -13.989 3.393 5.580 1.00 72.11 H new ATOM 1453 N ARG A 94 -11.524 1.643 2.572 1.00 62.34 N ATOM 1454 CA ARG A 94 -10.323 2.251 3.183 1.00 31.34 C ATOM 1455 C ARG A 94 -9.487 2.962 2.113 1.00 34.00 C ATOM 1456 O ARG A 94 -8.881 4.001 2.392 1.00 2.54 O ATOM 1457 CB ARG A 94 -9.450 1.193 3.904 1.00 63.12 C ATOM 1458 CG ARG A 94 -10.017 0.640 5.228 1.00 14.22 C ATOM 1459 CD ARG A 94 -10.152 1.691 6.338 1.00 71.23 C ATOM 1460 NE ARG A 94 -10.432 1.058 7.642 1.00 3.40 N ATOM 1461 CZ ARG A 94 -11.462 1.335 8.456 1.00 55.01 C ATOM 1462 NH1 ARG A 94 -12.367 2.250 8.128 1.00 51.11 N ATOM 1463 NH2 ARG A 94 -11.569 0.691 9.608 1.00 24.01 N ATOM 0 H ARG A 94 -11.506 0.623 2.552 1.00 62.34 H new ATOM 0 HA ARG A 94 -10.663 2.974 3.924 1.00 31.34 H new ATOM 0 HB2 ARG A 94 -9.290 0.357 3.223 1.00 63.12 H new ATOM 0 HB3 ARG A 94 -8.473 1.632 4.105 1.00 63.12 H new ATOM 0 HG2 ARG A 94 -10.996 0.201 5.037 1.00 14.22 H new ATOM 0 HG3 ARG A 94 -9.371 -0.164 5.580 1.00 14.22 H new ATOM 0 HD2 ARG A 94 -9.233 2.274 6.404 1.00 71.23 H new ATOM 0 HD3 ARG A 94 -10.954 2.386 6.089 1.00 71.23 H new ATOM 0 HE ARG A 94 -9.779 0.340 7.955 1.00 3.40 H new ATOM 0 HH11 ARG A 94 -12.285 2.755 7.245 1.00 51.11 H new ATOM 0 HH12 ARG A 94 -13.144 2.448 8.759 1.00 51.11 H new ATOM 0 HH21 ARG A 94 -10.873 -0.007 9.869 1.00 24.01 H new ATOM 0 HH22 ARG A 94 -12.348 0.893 10.235 1.00 24.01 H new ATOM 1477 N VAL A 95 -9.450 2.378 0.895 1.00 42.41 N ATOM 1478 CA VAL A 95 -8.752 2.978 -0.246 1.00 4.40 C ATOM 1479 C VAL A 95 -9.423 4.324 -0.613 1.00 23.15 C ATOM 1480 O VAL A 95 -8.739 5.331 -0.680 1.00 42.44 O ATOM 1481 CB VAL A 95 -8.682 2.006 -1.496 1.00 63.35 C ATOM 1482 CG1 VAL A 95 -8.069 2.697 -2.740 1.00 54.14 C ATOM 1483 CG2 VAL A 95 -7.883 0.720 -1.163 1.00 54.44 C ATOM 0 H VAL A 95 -9.900 1.487 0.684 1.00 42.41 H new ATOM 0 HA VAL A 95 -7.719 3.161 0.049 1.00 4.40 H new ATOM 0 HB VAL A 95 -9.710 1.734 -1.734 1.00 63.35 H new ATOM 0 HG11 VAL A 95 -8.042 1.992 -3.571 1.00 54.14 H new ATOM 0 HG12 VAL A 95 -8.678 3.558 -3.015 1.00 54.14 H new ATOM 0 HG13 VAL A 95 -7.056 3.027 -2.511 1.00 54.14 H new ATOM 0 HG21 VAL A 95 -7.853 0.073 -2.040 1.00 54.44 H new ATOM 0 HG22 VAL A 95 -6.867 0.988 -0.874 1.00 54.44 H new ATOM 0 HG23 VAL A 95 -8.367 0.194 -0.341 1.00 54.44 H new ATOM 1493 N ARG A 96 -10.779 4.351 -0.760 1.00 51.13 N ATOM 1494 CA ARG A 96 -11.498 5.596 -1.170 1.00 2.20 C ATOM 1495 C ARG A 96 -11.404 6.694 -0.092 1.00 64.45 C ATOM 1496 O ARG A 96 -11.282 7.870 -0.432 1.00 43.54 O ATOM 1497 CB ARG A 96 -12.991 5.349 -1.541 1.00 43.14 C ATOM 1498 CG ARG A 96 -13.903 4.881 -0.386 1.00 62.43 C ATOM 1499 CD ARG A 96 -15.346 4.559 -0.827 1.00 31.14 C ATOM 1500 NE ARG A 96 -15.390 3.425 -1.776 1.00 42.35 N ATOM 1501 CZ ARG A 96 -16.191 2.346 -1.678 1.00 12.42 C ATOM 1502 NH1 ARG A 96 -17.062 2.207 -0.677 1.00 63.35 N ATOM 1503 NH2 ARG A 96 -16.094 1.395 -2.588 1.00 42.43 N ATOM 0 H ARG A 96 -11.385 3.545 -0.605 1.00 51.13 H new ATOM 0 HA ARG A 96 -10.988 5.938 -2.071 1.00 2.20 H new ATOM 0 HB2 ARG A 96 -13.401 6.272 -1.951 1.00 43.14 H new ATOM 0 HB3 ARG A 96 -13.030 4.603 -2.334 1.00 43.14 H new ATOM 0 HG2 ARG A 96 -13.466 3.994 0.073 1.00 62.43 H new ATOM 0 HG3 ARG A 96 -13.931 5.656 0.380 1.00 62.43 H new ATOM 0 HD2 ARG A 96 -15.950 4.323 0.049 1.00 31.14 H new ATOM 0 HD3 ARG A 96 -15.789 5.440 -1.292 1.00 31.14 H new ATOM 0 HE ARG A 96 -14.758 3.463 -2.576 1.00 42.35 H new ATOM 0 HH11 ARG A 96 -17.134 2.929 0.040 1.00 63.35 H new ATOM 0 HH12 ARG A 96 -17.656 1.379 -0.629 1.00 63.35 H new ATOM 0 HH21 ARG A 96 -15.421 1.484 -3.349 1.00 42.43 H new ATOM 0 HH22 ARG A 96 -16.692 0.571 -2.530 1.00 42.43 H new ATOM 1517 N GLU A 97 -11.451 6.296 1.202 1.00 2.24 N ATOM 1518 CA GLU A 97 -11.352 7.240 2.336 1.00 3.11 C ATOM 1519 C GLU A 97 -9.912 7.759 2.502 1.00 23.23 C ATOM 1520 O GLU A 97 -9.697 8.881 2.988 1.00 55.52 O ATOM 1521 CB GLU A 97 -11.850 6.606 3.664 1.00 63.21 C ATOM 1522 CG GLU A 97 -13.343 6.197 3.682 1.00 44.30 C ATOM 1523 CD GLU A 97 -14.317 7.311 3.255 1.00 31.22 C ATOM 1524 OE1 GLU A 97 -14.263 8.415 3.832 1.00 40.45 O ATOM 1525 OE2 GLU A 97 -15.141 7.079 2.344 1.00 42.14 O ATOM 0 H GLU A 97 -11.557 5.322 1.485 1.00 2.24 H new ATOM 0 HA GLU A 97 -12.003 8.083 2.103 1.00 3.11 H new ATOM 0 HB2 GLU A 97 -11.246 5.724 3.875 1.00 63.21 H new ATOM 0 HB3 GLU A 97 -11.674 7.314 4.474 1.00 63.21 H new ATOM 0 HG2 GLU A 97 -13.480 5.340 3.022 1.00 44.30 H new ATOM 0 HG3 GLU A 97 -13.605 5.869 4.688 1.00 44.30 H new ATOM 1532 N PHE A 98 -8.932 6.929 2.095 1.00 43.13 N ATOM 1533 CA PHE A 98 -7.520 7.336 2.044 1.00 33.21 C ATOM 1534 C PHE A 98 -7.350 8.413 0.963 1.00 31.43 C ATOM 1535 O PHE A 98 -6.826 9.482 1.236 1.00 73.24 O ATOM 1536 CB PHE A 98 -6.571 6.138 1.757 1.00 54.45 C ATOM 1537 CG PHE A 98 -5.123 6.567 1.502 1.00 33.13 C ATOM 1538 CD1 PHE A 98 -4.287 6.919 2.561 1.00 43.40 C ATOM 1539 CD2 PHE A 98 -4.620 6.671 0.199 1.00 24.01 C ATOM 1540 CE1 PHE A 98 -3.004 7.355 2.324 1.00 70.14 C ATOM 1541 CE2 PHE A 98 -3.334 7.103 -0.031 1.00 55.24 C ATOM 1542 CZ PHE A 98 -2.530 7.448 1.029 1.00 34.14 C ATOM 0 H PHE A 98 -9.097 5.968 1.796 1.00 43.13 H new ATOM 0 HA PHE A 98 -7.246 7.732 3.022 1.00 33.21 H new ATOM 0 HB2 PHE A 98 -6.597 5.451 2.603 1.00 54.45 H new ATOM 0 HB3 PHE A 98 -6.939 5.590 0.890 1.00 54.45 H new ATOM 0 HD1 PHE A 98 -4.650 6.849 3.576 1.00 43.40 H new ATOM 0 HD2 PHE A 98 -5.251 6.408 -0.637 1.00 24.01 H new ATOM 0 HE1 PHE A 98 -2.365 7.625 3.152 1.00 70.14 H new ATOM 0 HE2 PHE A 98 -2.958 7.171 -1.041 1.00 55.24 H new ATOM 0 HZ PHE A 98 -1.523 7.794 0.849 1.00 34.14 H new ATOM 1552 N LEU A 99 -7.812 8.100 -0.257 1.00 0.04 N ATOM 1553 CA LEU A 99 -7.730 9.002 -1.425 1.00 64.22 C ATOM 1554 C LEU A 99 -8.516 10.310 -1.163 1.00 33.00 C ATOM 1555 O LEU A 99 -8.156 11.381 -1.674 1.00 15.41 O ATOM 1556 CB LEU A 99 -8.288 8.270 -2.674 1.00 43.53 C ATOM 1557 CG LEU A 99 -7.601 6.913 -3.041 1.00 40.13 C ATOM 1558 CD1 LEU A 99 -8.441 6.120 -4.069 1.00 42.45 C ATOM 1559 CD2 LEU A 99 -6.141 7.116 -3.517 1.00 53.33 C ATOM 0 H LEU A 99 -8.258 7.207 -0.467 1.00 0.04 H new ATOM 0 HA LEU A 99 -6.688 9.270 -1.599 1.00 64.22 H new ATOM 0 HB2 LEU A 99 -9.351 8.085 -2.517 1.00 43.53 H new ATOM 0 HB3 LEU A 99 -8.204 8.940 -3.530 1.00 43.53 H new ATOM 0 HG LEU A 99 -7.552 6.314 -2.131 1.00 40.13 H new ATOM 0 HD11 LEU A 99 -7.938 5.182 -4.304 1.00 42.45 H new ATOM 0 HD12 LEU A 99 -9.425 5.909 -3.650 1.00 42.45 H new ATOM 0 HD13 LEU A 99 -8.553 6.709 -4.979 1.00 42.45 H new ATOM 0 HD21 LEU A 99 -5.700 6.150 -3.762 1.00 53.33 H new ATOM 0 HD22 LEU A 99 -6.132 7.753 -4.401 1.00 53.33 H new ATOM 0 HD23 LEU A 99 -5.562 7.588 -2.723 1.00 53.33 H new ATOM 1571 N LYS A 100 -9.578 10.175 -0.336 1.00 35.34 N ATOM 1572 CA LYS A 100 -10.453 11.277 0.100 1.00 3.44 C ATOM 1573 C LYS A 100 -9.649 12.288 0.938 1.00 5.34 C ATOM 1574 O LYS A 100 -9.607 13.483 0.616 1.00 2.01 O ATOM 1575 CB LYS A 100 -11.643 10.695 0.926 1.00 54.44 C ATOM 1576 CG LYS A 100 -12.726 11.705 1.360 1.00 72.25 C ATOM 1577 CD LYS A 100 -13.522 12.294 0.171 1.00 2.15 C ATOM 1578 CE LYS A 100 -14.614 13.278 0.624 1.00 2.24 C ATOM 1579 NZ LYS A 100 -15.644 12.614 1.459 1.00 75.10 N ATOM 0 H LYS A 100 -9.853 9.273 0.054 1.00 35.34 H new ATOM 0 HA LYS A 100 -10.850 11.798 -0.772 1.00 3.44 H new ATOM 0 HB2 LYS A 100 -12.120 9.913 0.336 1.00 54.44 H new ATOM 0 HB3 LYS A 100 -11.240 10.219 1.820 1.00 54.44 H new ATOM 0 HG2 LYS A 100 -13.418 11.214 2.044 1.00 72.25 H new ATOM 0 HG3 LYS A 100 -12.255 12.518 1.912 1.00 72.25 H new ATOM 0 HD2 LYS A 100 -12.835 12.804 -0.505 1.00 2.15 H new ATOM 0 HD3 LYS A 100 -13.980 11.482 -0.393 1.00 2.15 H new ATOM 0 HE2 LYS A 100 -14.158 14.092 1.188 1.00 2.24 H new ATOM 0 HE3 LYS A 100 -15.087 13.723 -0.251 1.00 2.24 H new ATOM 0 HZ1 LYS A 100 -16.437 13.268 1.617 1.00 75.10 H new ATOM 0 HZ2 LYS A 100 -15.989 11.762 0.972 1.00 75.10 H new ATOM 0 HZ3 LYS A 100 -15.229 12.346 2.374 1.00 75.10 H new ATOM 1593 N THR A 101 -8.970 11.781 1.994 1.00 2.03 N ATOM 1594 CA THR A 101 -8.150 12.621 2.894 1.00 15.24 C ATOM 1595 C THR A 101 -6.833 13.046 2.211 1.00 74.14 C ATOM 1596 O THR A 101 -6.285 14.103 2.518 1.00 35.03 O ATOM 1597 CB THR A 101 -7.860 11.911 4.273 1.00 33.21 C ATOM 1598 OG1 THR A 101 -7.136 12.790 5.151 1.00 14.21 O ATOM 1599 CG2 THR A 101 -7.070 10.600 4.135 1.00 61.33 C ATOM 0 H THR A 101 -8.975 10.792 2.243 1.00 2.03 H new ATOM 0 HA THR A 101 -8.733 13.517 3.108 1.00 15.24 H new ATOM 0 HB THR A 101 -8.838 11.667 4.687 1.00 33.21 H new ATOM 0 HG1 THR A 101 -6.966 12.335 6.002 1.00 14.21 H new ATOM 0 HG21 THR A 101 -6.907 10.168 5.122 1.00 61.33 H new ATOM 0 HG22 THR A 101 -7.634 9.899 3.520 1.00 61.33 H new ATOM 0 HG23 THR A 101 -6.108 10.803 3.665 1.00 61.33 H new ATOM 1607 N ALA A 102 -6.372 12.232 1.241 1.00 72.01 N ATOM 1608 CA ALA A 102 -5.080 12.428 0.547 1.00 12.03 C ATOM 1609 C ALA A 102 -5.128 13.588 -0.465 1.00 23.32 C ATOM 1610 O ALA A 102 -4.078 14.057 -0.920 1.00 0.14 O ATOM 1611 CB ALA A 102 -4.651 11.132 -0.142 1.00 11.51 C ATOM 0 H ALA A 102 -6.887 11.415 0.914 1.00 72.01 H new ATOM 0 HA ALA A 102 -4.342 12.696 1.303 1.00 12.03 H new ATOM 0 HB1 ALA A 102 -3.699 11.288 -0.650 1.00 11.51 H new ATOM 0 HB2 ALA A 102 -4.541 10.343 0.602 1.00 11.51 H new ATOM 0 HB3 ALA A 102 -5.407 10.840 -0.871 1.00 11.51 H new ATOM 1617 N GLY A 103 -6.356 14.014 -0.838 1.00 14.22 N ATOM 1618 CA GLY A 103 -6.555 15.230 -1.642 1.00 22.45 C ATOM 1619 C GLY A 103 -6.003 16.485 -0.952 1.00 44.34 C ATOM 1620 O GLY A 103 -5.550 17.426 -1.614 1.00 41.23 O ATOM 0 H GLY A 103 -7.220 13.531 -0.593 1.00 14.22 H new ATOM 0 HA2 GLY A 103 -6.068 15.106 -2.609 1.00 22.45 H new ATOM 0 HA3 GLY A 103 -7.619 15.364 -1.836 1.00 22.45 H new ATOM 1624 N SER A 104 -6.027 16.468 0.397 1.00 35.44 N ATOM 1625 CA SER A 104 -5.447 17.520 1.249 1.00 63.24 C ATOM 1626 C SER A 104 -4.348 16.906 2.150 1.00 11.20 C ATOM 1627 O SER A 104 -4.646 16.208 3.121 1.00 45.31 O ATOM 1628 CB SER A 104 -6.567 18.192 2.091 1.00 52.32 C ATOM 1629 OG SER A 104 -7.338 17.236 2.807 1.00 5.14 O ATOM 0 H SER A 104 -6.456 15.711 0.930 1.00 35.44 H new ATOM 0 HA SER A 104 -4.988 18.290 0.630 1.00 63.24 H new ATOM 0 HB2 SER A 104 -6.120 18.897 2.792 1.00 52.32 H new ATOM 0 HB3 SER A 104 -7.220 18.766 1.434 1.00 52.32 H new ATOM 0 HG SER A 104 -6.742 16.573 3.213 1.00 5.14 H new ATOM 1635 N LEU A 105 -3.072 17.132 1.794 1.00 2.21 N ATOM 1636 CA LEU A 105 -1.916 16.647 2.571 1.00 32.22 C ATOM 1637 C LEU A 105 -1.591 17.666 3.667 1.00 13.30 C ATOM 1638 O LEU A 105 -1.300 18.835 3.357 1.00 64.40 O ATOM 1639 CB LEU A 105 -0.699 16.436 1.630 1.00 23.42 C ATOM 1640 CG LEU A 105 -0.901 15.416 0.461 1.00 23.22 C ATOM 1641 CD1 LEU A 105 0.360 15.321 -0.433 1.00 44.12 C ATOM 1642 CD2 LEU A 105 -1.327 14.028 0.990 1.00 55.12 C ATOM 0 H LEU A 105 -2.812 17.656 0.959 1.00 2.21 H new ATOM 0 HA LEU A 105 -2.153 15.690 3.036 1.00 32.22 H new ATOM 0 HB2 LEU A 105 -0.426 17.400 1.201 1.00 23.42 H new ATOM 0 HB3 LEU A 105 0.147 16.104 2.232 1.00 23.42 H new ATOM 0 HG LEU A 105 -1.713 15.790 -0.162 1.00 23.22 H new ATOM 0 HD11 LEU A 105 0.184 14.604 -1.235 1.00 44.12 H new ATOM 0 HD12 LEU A 105 0.576 16.299 -0.862 1.00 44.12 H new ATOM 0 HD13 LEU A 105 1.208 14.993 0.168 1.00 44.12 H new ATOM 0 HD21 LEU A 105 -1.459 13.344 0.152 1.00 55.12 H new ATOM 0 HD22 LEU A 105 -0.557 13.641 1.657 1.00 55.12 H new ATOM 0 HD23 LEU A 105 -2.267 14.119 1.535 1.00 55.12 H new ATOM 1654 N GLU A 106 -1.656 17.222 4.936 1.00 23.21 N ATOM 1655 CA GLU A 106 -1.450 18.090 6.101 1.00 64.12 C ATOM 1656 C GLU A 106 -0.023 18.668 6.097 1.00 21.05 C ATOM 1657 O GLU A 106 0.966 17.923 6.178 1.00 4.34 O ATOM 1658 CB GLU A 106 -1.733 17.325 7.423 1.00 24.13 C ATOM 1659 CG GLU A 106 -1.675 18.215 8.685 1.00 42.24 C ATOM 1660 CD GLU A 106 -1.944 17.461 9.993 1.00 40.24 C ATOM 1661 OE1 GLU A 106 -0.984 16.948 10.606 1.00 11.10 O ATOM 1662 OE2 GLU A 106 -3.111 17.383 10.420 1.00 23.51 O ATOM 0 H GLU A 106 -1.853 16.251 5.178 1.00 23.21 H new ATOM 0 HA GLU A 106 -2.156 18.918 6.037 1.00 64.12 H new ATOM 0 HB2 GLU A 106 -2.718 16.863 7.361 1.00 24.13 H new ATOM 0 HB3 GLU A 106 -1.009 16.517 7.526 1.00 24.13 H new ATOM 0 HG2 GLU A 106 -0.692 18.682 8.743 1.00 42.24 H new ATOM 0 HG3 GLU A 106 -2.405 19.019 8.584 1.00 42.24 H new ATOM 1669 N HIS A 107 0.047 20.001 5.956 1.00 2.04 N ATOM 1670 CA HIS A 107 1.303 20.756 5.884 1.00 73.02 C ATOM 1671 C HIS A 107 2.026 20.768 7.239 1.00 75.20 C ATOM 1672 O HIS A 107 1.721 21.576 8.121 1.00 64.44 O ATOM 1673 CB HIS A 107 1.043 22.203 5.380 1.00 42.21 C ATOM 1674 CG HIS A 107 0.694 22.277 3.918 1.00 41.22 C ATOM 1675 ND1 HIS A 107 1.651 22.321 2.926 1.00 32.44 N ATOM 1676 CD2 HIS A 107 -0.504 22.291 3.279 1.00 1.12 C ATOM 1677 CE1 HIS A 107 1.061 22.357 1.750 1.00 54.00 C ATOM 1678 NE2 HIS A 107 -0.244 22.341 1.933 1.00 1.24 N ATOM 0 H HIS A 107 -0.782 20.592 5.888 1.00 2.04 H new ATOM 0 HA HIS A 107 1.955 20.256 5.168 1.00 73.02 H new ATOM 0 HB2 HIS A 107 0.232 22.641 5.961 1.00 42.21 H new ATOM 0 HB3 HIS A 107 1.931 22.808 5.564 1.00 42.21 H new ATOM 0 HD2 HIS A 107 -1.479 22.267 3.743 1.00 1.12 H new ATOM 0 HE1 HIS A 107 1.563 22.394 0.794 1.00 54.00 H new ATOM 0 HE2 HIS A 107 -0.947 22.362 1.194 1.00 1.24 H new ATOM 1687 N HIS A 108 2.934 19.808 7.401 1.00 62.13 N ATOM 1688 CA HIS A 108 3.925 19.789 8.475 1.00 42.43 C ATOM 1689 C HIS A 108 5.268 19.383 7.858 1.00 74.33 C ATOM 1690 O HIS A 108 5.402 18.276 7.315 1.00 31.20 O ATOM 1691 CB HIS A 108 3.493 18.844 9.639 1.00 53.34 C ATOM 1692 CG HIS A 108 2.990 17.477 9.227 1.00 5.43 C ATOM 1693 ND1 HIS A 108 1.649 17.161 9.141 1.00 52.44 N ATOM 1694 CD2 HIS A 108 3.651 16.343 8.888 1.00 62.41 C ATOM 1695 CE1 HIS A 108 1.518 15.901 8.767 1.00 72.54 C ATOM 1696 NE2 HIS A 108 2.713 15.384 8.608 1.00 64.01 N ATOM 0 H HIS A 108 3.003 19.005 6.776 1.00 62.13 H new ATOM 0 HA HIS A 108 4.016 20.777 8.926 1.00 42.43 H new ATOM 0 HB2 HIS A 108 4.343 18.711 10.308 1.00 53.34 H new ATOM 0 HB3 HIS A 108 2.710 19.340 10.213 1.00 53.34 H new ATOM 0 HD2 HIS A 108 4.723 16.218 8.846 1.00 62.41 H new ATOM 0 HE1 HIS A 108 0.582 15.383 8.617 1.00 72.54 H new ATOM 0 HE2 HIS A 108 2.912 14.425 8.323 1.00 64.01 H new ATOM 1705 N HIS A 109 6.243 20.304 7.877 1.00 41.13 N ATOM 1706 CA HIS A 109 7.568 20.047 7.314 1.00 60.24 C ATOM 1707 C HIS A 109 8.359 19.127 8.253 1.00 34.43 C ATOM 1708 O HIS A 109 8.728 19.521 9.365 1.00 61.30 O ATOM 1709 CB HIS A 109 8.351 21.356 7.062 1.00 41.12 C ATOM 1710 CG HIS A 109 9.718 21.113 6.460 1.00 71.41 C ATOM 1711 ND1 HIS A 109 10.888 21.162 7.189 1.00 74.52 N ATOM 1712 CD2 HIS A 109 10.084 20.762 5.201 1.00 62.03 C ATOM 1713 CE1 HIS A 109 11.906 20.852 6.411 1.00 65.13 C ATOM 1714 NE2 HIS A 109 11.444 20.604 5.206 1.00 41.24 N ATOM 0 H HIS A 109 6.134 21.235 8.279 1.00 41.13 H new ATOM 0 HA HIS A 109 7.434 19.558 6.349 1.00 60.24 H new ATOM 0 HB2 HIS A 109 7.774 21.997 6.396 1.00 41.12 H new ATOM 0 HB3 HIS A 109 8.464 21.894 8.003 1.00 41.12 H new ATOM 0 HD2 HIS A 109 9.426 20.632 4.354 1.00 62.03 H new ATOM 0 HE1 HIS A 109 12.942 20.809 6.712 1.00 65.13 H new ATOM 0 HE2 HIS A 109 12.010 20.336 4.401 1.00 41.24 H new ATOM 1723 N HIS A 110 8.566 17.891 7.798 1.00 21.03 N ATOM 1724 CA HIS A 110 9.443 16.923 8.463 1.00 3.24 C ATOM 1725 C HIS A 110 10.901 17.441 8.448 1.00 72.52 C ATOM 1726 O HIS A 110 11.367 17.955 7.423 1.00 71.42 O ATOM 1727 CB HIS A 110 9.311 15.541 7.773 1.00 55.33 C ATOM 1728 CG HIS A 110 9.483 15.564 6.269 1.00 33.01 C ATOM 1729 ND1 HIS A 110 8.427 15.429 5.390 1.00 53.22 N ATOM 1730 CD2 HIS A 110 10.590 15.681 5.495 1.00 25.14 C ATOM 1731 CE1 HIS A 110 8.879 15.465 4.152 1.00 73.11 C ATOM 1732 NE2 HIS A 110 10.184 15.619 4.189 1.00 61.33 N ATOM 0 H HIS A 110 8.127 17.529 6.951 1.00 21.03 H new ATOM 0 HA HIS A 110 9.146 16.804 9.505 1.00 3.24 H new ATOM 0 HB2 HIS A 110 10.053 14.865 8.199 1.00 55.33 H new ATOM 0 HB3 HIS A 110 8.330 15.126 8.006 1.00 55.33 H new ATOM 0 HD2 HIS A 110 11.605 15.801 5.844 1.00 25.14 H new ATOM 0 HE1 HIS A 110 8.278 15.382 3.258 1.00 73.11 H new ATOM 0 HE2 HIS A 110 10.796 15.682 3.375 1.00 61.33 H new ATOM 1741 N HIS A 111 11.595 17.331 9.590 1.00 21.33 N ATOM 1742 CA HIS A 111 12.969 17.845 9.754 1.00 21.41 C ATOM 1743 C HIS A 111 13.977 16.839 9.149 1.00 73.01 C ATOM 1744 O HIS A 111 14.515 15.972 9.845 1.00 14.11 O ATOM 1745 CB HIS A 111 13.241 18.132 11.260 1.00 43.35 C ATOM 1746 CG HIS A 111 14.553 18.826 11.566 1.00 42.21 C ATOM 1747 ND1 HIS A 111 15.431 18.381 12.533 1.00 23.42 N ATOM 1748 CD2 HIS A 111 15.116 19.953 11.054 1.00 24.42 C ATOM 1749 CE1 HIS A 111 16.462 19.200 12.606 1.00 45.41 C ATOM 1750 NE2 HIS A 111 16.297 20.158 11.719 1.00 14.10 N ATOM 0 H HIS A 111 11.223 16.884 10.428 1.00 21.33 H new ATOM 0 HA HIS A 111 13.090 18.786 9.217 1.00 21.41 H new ATOM 0 HB2 HIS A 111 12.427 18.745 11.648 1.00 43.35 H new ATOM 0 HB3 HIS A 111 13.215 17.187 11.802 1.00 43.35 H new ATOM 0 HD2 HIS A 111 14.708 20.572 10.269 1.00 24.42 H new ATOM 0 HE1 HIS A 111 17.300 19.101 13.280 1.00 45.41 H new ATOM 0 HE2 HIS A 111 16.944 20.929 11.553 1.00 14.10 H new ATOM 1759 N HIS A 112 14.152 16.928 7.815 1.00 14.13 N ATOM 1760 CA HIS A 112 15.082 16.086 7.043 1.00 1.11 C ATOM 1761 C HIS A 112 16.180 16.991 6.440 1.00 65.43 C ATOM 1762 O HIS A 112 15.870 17.793 5.533 1.00 14.10 O ATOM 1763 CB HIS A 112 14.332 15.294 5.929 1.00 61.34 C ATOM 1764 CG HIS A 112 15.237 14.403 5.101 1.00 33.10 C ATOM 1765 ND1 HIS A 112 15.623 14.698 3.809 1.00 31.13 N ATOM 1766 CD2 HIS A 112 15.834 13.221 5.395 1.00 71.11 C ATOM 1767 CE1 HIS A 112 16.407 13.741 3.353 1.00 44.05 C ATOM 1768 NE2 HIS A 112 16.552 12.833 4.290 1.00 42.35 N ATOM 1769 OXT HIS A 112 17.340 16.906 6.883 1.00 37.33 O ATOM 0 H HIS A 112 13.643 17.597 7.237 1.00 14.13 H new ATOM 0 HA HIS A 112 15.539 15.348 7.703 1.00 1.11 H new ATOM 0 HB2 HIS A 112 13.557 14.682 6.390 1.00 61.34 H new ATOM 0 HB3 HIS A 112 13.829 16.001 5.269 1.00 61.34 H new ATOM 0 HD2 HIS A 112 15.759 12.683 6.328 1.00 71.11 H new ATOM 0 HE1 HIS A 112 16.856 13.709 2.371 1.00 44.05 H new ATOM 0 HE2 HIS A 112 17.106 11.980 4.211 1.00 42.35 H new TER 1778 HIS A 112