USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 760 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 92 MET CE :methyl 177:sc= -3.81 (180deg=-2.23!) USER MOD Set 1.2: A 93 ASN : amide:sc= -7.04! C(o=-11!,f=-22!) USER MOD Set 2.1: A 52 ASN : amide:sc= 0.292 K(o=-0.79,f=-1.9) USER MOD Set 2.2: A 56 ASN : amide:sc= -1.09 K(o=-0.79,f=-1.8) USER MOD Set 3.1: A 51 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Set 3.2: A 55 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00671) USER MOD Single : A 26 THR OG1 : rot 28:sc= 0.458 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.051) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= -0.935 K(o=-0.93,f=-2.7!) USER MOD Single : A 43 SER OG : rot 60:sc= -7.36! USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= -1.16 (180deg=-1.22) USER MOD Single : A 45 ASN : amide:sc= -1.75 K(o=-1.8,f=-4.5!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0743) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.087) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.147) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 173:sc= -2.65! USER MOD Single : A 76 SER OG : rot 35:sc= 0.204 USER MOD Single : A 77 THR OG1 : rot -139:sc= -2.14 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 161:sc= 1.04 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 95 MET CE :methyl -141:sc= 0 (180deg=-0.0366) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.076) USER MOD Single : A 106 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=-0.33) USER MOD Single : A 107 ASN : amide:sc= -0.169 K(o=-0.17,f=-2!) USER MOD Single : A 110 HIS : no HD1:sc= -0.0525 X(o=-0.053,f=-0.01) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -9.932 -17.479 -6.560 1.00 0.00 N ATOM 2 CA THR A 26 -8.896 -16.451 -6.572 1.00 0.00 C ATOM 3 C THR A 26 -9.312 -15.280 -7.454 1.00 0.00 C ATOM 4 O THR A 26 -9.629 -15.460 -8.630 1.00 0.00 O ATOM 5 CB THR A 26 -7.572 -17.035 -7.068 1.00 0.00 C ATOM 6 OG1 THR A 26 -7.399 -18.358 -6.594 1.00 0.00 O ATOM 7 CG2 THR A 26 -6.366 -16.230 -6.638 1.00 0.00 C ATOM 0 HA THR A 26 -8.762 -16.089 -5.553 1.00 0.00 H new ATOM 0 HB THR A 26 -7.634 -17.012 -8.156 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.276 -18.771 -6.449 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.460 -16.698 -7.023 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.446 -15.217 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.322 -16.194 -5.549 1.00 0.00 H new ATOM 15 N SER A 27 -9.318 -14.080 -6.881 1.00 0.00 N ATOM 16 CA SER A 27 -9.708 -12.889 -7.624 1.00 0.00 C ATOM 17 C SER A 27 -8.765 -11.724 -7.346 1.00 0.00 C ATOM 18 O SER A 27 -7.727 -11.882 -6.693 1.00 0.00 O ATOM 19 CB SER A 27 -11.144 -12.495 -7.272 1.00 0.00 C ATOM 20 OG SER A 27 -12.045 -12.891 -8.292 1.00 0.00 O ATOM 0 H SER A 27 -9.058 -13.908 -5.910 1.00 0.00 H new ATOM 0 HA SER A 27 -9.648 -13.124 -8.687 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.431 -12.959 -6.328 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.204 -11.416 -7.128 1.00 0.00 H new ATOM 0 HG SER A 27 -12.956 -12.630 -8.043 1.00 0.00 H new ATOM 25 N LYS A 28 -9.131 -10.551 -7.851 1.00 0.00 N ATOM 26 CA LYS A 28 -8.325 -9.353 -7.667 1.00 0.00 C ATOM 27 C LYS A 28 -9.113 -8.263 -6.951 1.00 0.00 C ATOM 28 O LYS A 28 -10.325 -8.136 -7.130 1.00 0.00 O ATOM 29 CB LYS A 28 -7.824 -8.839 -9.018 1.00 0.00 C ATOM 30 CG LYS A 28 -6.356 -9.138 -9.277 1.00 0.00 C ATOM 31 CD LYS A 28 -5.846 -8.402 -10.505 1.00 0.00 C ATOM 32 CE LYS A 28 -4.401 -8.762 -10.811 1.00 0.00 C ATOM 33 NZ LYS A 28 -4.287 -10.088 -11.478 1.00 0.00 N ATOM 0 H LYS A 28 -9.983 -10.406 -8.392 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.469 -9.616 -7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.423 -9.286 -9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.981 -7.762 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.766 -8.849 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.220 -10.211 -9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.472 -8.646 -11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.928 -7.327 -10.346 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.964 -7.995 -11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.826 -8.771 -9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.286 -10.295 -11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.681 -10.824 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.815 -10.072 -12.374 1.00 0.00 H new ATOM 47 N GLN A 29 -8.412 -7.473 -6.145 1.00 0.00 N ATOM 48 CA GLN A 29 -9.036 -6.384 -5.405 1.00 0.00 C ATOM 49 C GLN A 29 -8.190 -5.124 -5.504 1.00 0.00 C ATOM 50 O GLN A 29 -6.961 -5.188 -5.519 1.00 0.00 O ATOM 51 CB GLN A 29 -9.232 -6.773 -3.938 1.00 0.00 C ATOM 52 CG GLN A 29 -10.065 -8.030 -3.750 1.00 0.00 C ATOM 53 CD GLN A 29 -11.556 -7.759 -3.828 1.00 0.00 C ATOM 54 OE1 GLN A 29 -12.092 -6.952 -3.069 1.00 0.00 O ATOM 55 NE2 GLN A 29 -12.232 -8.434 -4.750 1.00 0.00 N ATOM 0 H GLN A 29 -7.409 -7.568 -5.988 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.013 -6.186 -5.845 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.256 -6.921 -3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.711 -5.947 -3.412 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.792 -8.760 -4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.831 -8.476 -2.783 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.746 -9.093 -5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.237 -8.293 -4.850 1.00 0.00 H new ATOM 64 N GLU A 30 -8.853 -3.978 -5.590 1.00 0.00 N ATOM 65 CA GLU A 30 -8.154 -2.708 -5.706 1.00 0.00 C ATOM 66 C GLU A 30 -8.757 -1.648 -4.788 1.00 0.00 C ATOM 67 O GLU A 30 -9.965 -1.411 -4.803 1.00 0.00 O ATOM 68 CB GLU A 30 -8.179 -2.240 -7.162 1.00 0.00 C ATOM 69 CG GLU A 30 -9.521 -1.677 -7.609 1.00 0.00 C ATOM 70 CD GLU A 30 -10.629 -2.712 -7.572 1.00 0.00 C ATOM 71 OE1 GLU A 30 -10.476 -3.768 -8.222 1.00 0.00 O ATOM 72 OE2 GLU A 30 -11.649 -2.464 -6.897 1.00 0.00 O ATOM 0 H GLU A 30 -9.870 -3.903 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.121 -2.855 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.412 -1.478 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.915 -3.078 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.791 -0.838 -6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.428 -1.286 -8.622 1.00 0.00 H new ATOM 79 N LEU A 31 -7.902 -1.010 -3.996 1.00 0.00 N ATOM 80 CA LEU A 31 -8.341 0.032 -3.075 1.00 0.00 C ATOM 81 C LEU A 31 -8.106 1.412 -3.680 1.00 0.00 C ATOM 82 O LEU A 31 -6.965 1.817 -3.902 1.00 0.00 O ATOM 83 CB LEU A 31 -7.603 -0.087 -1.741 1.00 0.00 C ATOM 84 CG LEU A 31 -7.642 -1.479 -1.103 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.286 -2.159 -1.221 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.068 -1.388 0.355 1.00 0.00 C ATOM 0 H LEU A 31 -6.899 -1.197 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.409 -0.096 -2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.562 0.198 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.031 0.630 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.376 -2.081 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.333 -3.147 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.020 -2.260 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.532 -1.558 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.090 -2.387 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.359 -0.768 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.061 -0.944 0.417 1.00 0.00 H new ATOM 98 N ILE A 32 -9.193 2.123 -3.954 1.00 0.00 N ATOM 99 CA ILE A 32 -9.108 3.451 -4.548 1.00 0.00 C ATOM 100 C ILE A 32 -8.725 4.509 -3.514 1.00 0.00 C ATOM 101 O ILE A 32 -9.523 4.864 -2.657 1.00 0.00 O ATOM 102 CB ILE A 32 -10.443 3.851 -5.208 1.00 0.00 C ATOM 103 CG1 ILE A 32 -10.314 5.210 -5.900 1.00 0.00 C ATOM 104 CG2 ILE A 32 -11.561 3.878 -4.176 1.00 0.00 C ATOM 105 CD1 ILE A 32 -11.585 5.664 -6.584 1.00 0.00 C ATOM 0 H ILE A 32 -10.144 1.802 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.328 3.404 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.692 3.105 -5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.021 5.957 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.513 5.158 -6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.496 4.162 -4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.669 2.889 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.320 4.602 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.419 6.634 -7.053 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.868 4.937 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.384 5.748 -5.848 1.00 0.00 H new ATOM 117 N LEU A 33 -7.500 5.017 -3.621 1.00 0.00 N ATOM 118 CA LEU A 33 -7.020 6.048 -2.709 1.00 0.00 C ATOM 119 C LEU A 33 -7.099 7.417 -3.373 1.00 0.00 C ATOM 120 O LEU A 33 -6.613 7.606 -4.492 1.00 0.00 O ATOM 121 CB LEU A 33 -5.580 5.771 -2.276 1.00 0.00 C ATOM 122 CG LEU A 33 -5.279 4.329 -1.867 1.00 0.00 C ATOM 123 CD1 LEU A 33 -3.827 3.989 -2.163 1.00 0.00 C ATOM 124 CD2 LEU A 33 -5.581 4.122 -0.392 1.00 0.00 C ATOM 0 H LEU A 33 -6.824 4.731 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.657 6.036 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.914 6.044 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.339 6.425 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.918 3.663 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.627 2.959 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.637 4.103 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.175 4.661 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.361 3.090 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.965 4.795 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.634 4.332 -0.203 1.00 0.00 H new ATOM 136 N VAL A 34 -7.710 8.369 -2.682 1.00 0.00 N ATOM 137 CA VAL A 34 -7.851 9.717 -3.209 1.00 0.00 C ATOM 138 C VAL A 34 -7.087 10.722 -2.361 1.00 0.00 C ATOM 139 O VAL A 34 -7.513 11.088 -1.262 1.00 0.00 O ATOM 140 CB VAL A 34 -9.330 10.156 -3.291 1.00 0.00 C ATOM 141 CG1 VAL A 34 -9.444 11.473 -4.046 1.00 0.00 C ATOM 142 CG2 VAL A 34 -10.169 9.070 -3.960 1.00 0.00 C ATOM 0 H VAL A 34 -8.115 8.232 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.435 9.696 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.712 10.305 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.491 11.773 -4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.872 12.241 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.052 11.349 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.209 9.393 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.795 8.891 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.103 8.150 -3.379 1.00 0.00 H new ATOM 152 N LEU A 35 -5.960 11.146 -2.885 1.00 0.00 N ATOM 153 CA LEU A 35 -5.097 12.108 -2.214 1.00 0.00 C ATOM 154 C LEU A 35 -5.356 13.518 -2.719 1.00 0.00 C ATOM 155 O LEU A 35 -5.859 13.707 -3.828 1.00 0.00 O ATOM 156 CB LEU A 35 -3.642 11.708 -2.448 1.00 0.00 C ATOM 157 CG LEU A 35 -2.774 11.649 -1.189 1.00 0.00 C ATOM 158 CD1 LEU A 35 -1.713 10.562 -1.331 1.00 0.00 C ATOM 159 CD2 LEU A 35 -2.126 12.994 -0.918 1.00 0.00 C ATOM 0 H LEU A 35 -5.609 10.836 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.311 12.102 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.623 10.730 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.195 12.416 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.413 11.404 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.102 10.530 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.198 9.597 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.080 10.782 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.514 12.928 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.498 13.273 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.900 13.749 -0.776 1.00 0.00 H new ATOM 171 N LYS A 36 -4.996 14.507 -1.911 1.00 0.00 N ATOM 172 CA LYS A 36 -5.188 15.902 -2.278 1.00 0.00 C ATOM 173 C LYS A 36 -4.002 16.422 -3.089 1.00 0.00 C ATOM 174 O LYS A 36 -3.163 17.165 -2.580 1.00 0.00 O ATOM 175 CB LYS A 36 -5.376 16.767 -1.023 1.00 0.00 C ATOM 176 CG LYS A 36 -6.638 16.435 -0.241 1.00 0.00 C ATOM 177 CD LYS A 36 -6.998 17.543 0.727 1.00 0.00 C ATOM 178 CE LYS A 36 -8.096 18.445 0.174 1.00 0.00 C ATOM 179 NZ LYS A 36 -7.563 19.741 -0.310 1.00 0.00 N ATOM 0 H LYS A 36 -4.569 14.367 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.086 15.965 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.511 16.641 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.405 17.817 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.464 16.272 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.493 15.504 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.326 17.108 1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.112 18.140 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.606 17.935 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.840 18.627 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.344 20.322 -0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.099 20.241 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.872 19.571 -1.068 1.00 0.00 H new ATOM 193 N GLY A 37 -3.938 16.016 -4.356 1.00 0.00 N ATOM 194 CA GLY A 37 -2.854 16.439 -5.218 1.00 0.00 C ATOM 195 C GLY A 37 -2.983 17.896 -5.641 1.00 0.00 C ATOM 196 O GLY A 37 -4.076 18.357 -5.956 1.00 0.00 O ATOM 0 H GLY A 37 -4.621 15.401 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.905 16.296 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.831 15.807 -6.105 1.00 0.00 H new ATOM 200 N GLU A 38 -1.861 18.609 -5.652 1.00 0.00 N ATOM 201 CA GLU A 38 -1.851 20.007 -6.044 1.00 0.00 C ATOM 202 C GLU A 38 -0.423 20.545 -6.100 1.00 0.00 C ATOM 203 O GLU A 38 -0.124 21.602 -5.541 1.00 0.00 O ATOM 204 CB GLU A 38 -2.695 20.835 -5.060 1.00 0.00 C ATOM 205 CG GLU A 38 -4.051 21.241 -5.614 1.00 0.00 C ATOM 206 CD GLU A 38 -4.068 22.676 -6.109 1.00 0.00 C ATOM 207 OE1 GLU A 38 -3.398 22.969 -7.124 1.00 0.00 O ATOM 208 OE2 GLU A 38 -4.757 23.503 -5.476 1.00 0.00 O ATOM 0 H GLU A 38 -0.947 18.237 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.284 20.089 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.843 20.259 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.141 21.732 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.320 20.574 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.808 21.118 -4.840 1.00 0.00 H new ATOM 215 N LEU A 39 0.448 19.810 -6.774 1.00 0.00 N ATOM 216 CA LEU A 39 1.846 20.213 -6.907 1.00 0.00 C ATOM 217 C LEU A 39 2.524 20.272 -5.543 1.00 0.00 C ATOM 218 O LEU A 39 3.281 21.208 -5.255 1.00 0.00 O ATOM 219 CB LEU A 39 1.946 21.567 -7.610 1.00 0.00 C ATOM 220 CG LEU A 39 3.308 21.873 -8.240 1.00 0.00 C ATOM 221 CD1 LEU A 39 3.613 20.896 -9.351 1.00 0.00 C ATOM 222 CD2 LEU A 39 3.341 23.306 -8.761 1.00 0.00 C ATOM 0 H LEU A 39 0.215 18.932 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 39 2.360 19.467 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.185 21.612 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.712 22.351 -6.890 1.00 0.00 H new ATOM 0 HG LEU A 39 4.075 21.766 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.585 21.131 -9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.630 19.883 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.845 20.969 -10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.315 23.509 -9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.564 23.437 -9.514 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.168 23.997 -7.936 1.00 0.00 H new ATOM 234 N ASP A 40 2.247 19.281 -4.704 1.00 0.00 N ATOM 235 CA ASP A 40 2.829 19.230 -3.363 1.00 0.00 C ATOM 236 C ASP A 40 3.003 17.789 -2.911 1.00 0.00 C ATOM 237 O ASP A 40 2.046 17.010 -2.906 1.00 0.00 O ATOM 238 CB ASP A 40 1.958 20.000 -2.376 1.00 0.00 C ATOM 239 CG ASP A 40 2.246 21.486 -2.378 1.00 0.00 C ATOM 240 OD1 ASP A 40 3.369 21.877 -1.993 1.00 0.00 O ATOM 241 OD2 ASP A 40 1.342 22.262 -2.754 1.00 0.00 O ATOM 0 H ASP A 40 1.625 18.503 -4.925 1.00 0.00 H new ATOM 0 HA ASP A 40 3.812 19.700 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.908 19.837 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.117 19.605 -1.373 1.00 0.00 H new ATOM 246 N LEU A 41 4.220 17.439 -2.516 1.00 0.00 N ATOM 247 CA LEU A 41 4.514 16.088 -2.053 1.00 0.00 C ATOM 248 C LEU A 41 4.579 16.033 -0.531 1.00 0.00 C ATOM 249 O LEU A 41 5.593 16.380 0.068 1.00 0.00 O ATOM 250 CB LEU A 41 5.837 15.599 -2.649 1.00 0.00 C ATOM 251 CG LEU A 41 5.924 14.086 -2.869 1.00 0.00 C ATOM 252 CD1 LEU A 41 5.670 13.341 -1.572 1.00 0.00 C ATOM 253 CD2 LEU A 41 4.943 13.652 -3.945 1.00 0.00 C ATOM 0 H LEU A 41 5.020 18.072 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 41 3.708 15.435 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.996 16.100 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.650 15.903 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 41 6.932 13.841 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.736 12.268 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.416 13.633 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.675 13.586 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.016 12.574 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.929 13.909 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.179 14.161 -4.879 1.00 0.00 H new ATOM 265 N HIS A 42 3.489 15.589 0.089 1.00 0.00 N ATOM 266 CA HIS A 42 3.423 15.493 1.541 1.00 0.00 C ATOM 267 C HIS A 42 2.418 14.423 1.972 1.00 0.00 C ATOM 268 O HIS A 42 1.641 14.626 2.898 1.00 0.00 O ATOM 269 CB HIS A 42 3.034 16.843 2.148 1.00 0.00 C ATOM 270 CG HIS A 42 3.233 16.919 3.629 1.00 0.00 C ATOM 271 ND1 HIS A 42 2.268 16.543 4.537 1.00 0.00 N ATOM 272 CD2 HIS A 42 4.297 17.331 4.360 1.00 0.00 C ATOM 273 CE1 HIS A 42 2.725 16.712 5.765 1.00 0.00 C ATOM 274 NE2 HIS A 42 3.956 17.193 5.683 1.00 0.00 N ATOM 0 H HIS A 42 2.641 15.291 -0.393 1.00 0.00 H new ATOM 0 HA HIS A 42 4.411 15.209 1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.621 17.628 1.671 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.987 17.045 1.921 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.342 16.188 4.298 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.236 17.699 3.975 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.188 16.496 6.677 1.00 0.00 H new ATOM 283 N SER A 43 2.447 13.288 1.287 1.00 0.00 N ATOM 284 CA SER A 43 1.540 12.191 1.599 1.00 0.00 C ATOM 285 C SER A 43 2.307 10.885 1.791 1.00 0.00 C ATOM 286 O SER A 43 3.057 10.456 0.907 1.00 0.00 O ATOM 287 CB SER A 43 0.506 12.026 0.483 1.00 0.00 C ATOM 288 OG SER A 43 -0.741 11.596 1.012 1.00 0.00 O ATOM 0 H SER A 43 3.086 13.103 0.514 1.00 0.00 H new ATOM 0 HA SER A 43 1.028 12.431 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.377 12.972 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.865 11.302 -0.248 1.00 0.00 H new ATOM 0 HG SER A 43 -1.070 12.259 1.654 1.00 0.00 H new ATOM 294 N LYS A 44 2.120 10.253 2.943 1.00 0.00 N ATOM 295 CA LYS A 44 2.790 9.001 3.261 1.00 0.00 C ATOM 296 C LYS A 44 2.004 7.798 2.735 1.00 0.00 C ATOM 297 O LYS A 44 2.442 6.665 2.874 1.00 0.00 O ATOM 298 CB LYS A 44 2.996 8.875 4.769 1.00 0.00 C ATOM 299 CG LYS A 44 3.743 10.045 5.385 1.00 0.00 C ATOM 300 CD LYS A 44 5.145 10.172 4.812 1.00 0.00 C ATOM 301 CE LYS A 44 6.052 9.054 5.303 1.00 0.00 C ATOM 302 NZ LYS A 44 7.390 9.099 4.646 1.00 0.00 N ATOM 0 H LYS A 44 1.502 10.593 3.680 1.00 0.00 H new ATOM 0 HA LYS A 44 3.762 9.011 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.024 8.782 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.545 7.956 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.190 10.967 5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.801 9.914 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.097 10.151 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.569 11.136 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.174 9.133 6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.582 8.091 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.991 8.343 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.278 8.965 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.835 10.021 4.828 1.00 0.00 H new ATOM 316 N ASN A 45 0.833 8.064 2.150 1.00 0.00 N ATOM 317 CA ASN A 45 -0.021 7.002 1.610 1.00 0.00 C ATOM 318 C ASN A 45 0.788 5.925 0.905 1.00 0.00 C ATOM 319 O ASN A 45 0.721 4.752 1.260 1.00 0.00 O ATOM 320 CB ASN A 45 -1.057 7.591 0.654 1.00 0.00 C ATOM 321 CG ASN A 45 -2.360 6.828 0.656 1.00 0.00 C ATOM 322 OD1 ASN A 45 -2.856 6.424 -0.402 1.00 0.00 O ATOM 323 ND2 ASN A 45 -2.920 6.614 1.841 1.00 0.00 N ATOM 0 H ASN A 45 0.455 9.005 2.038 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.531 6.533 2.452 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.249 8.628 0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.648 7.599 -0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.797 6.097 1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.473 6.967 2.687 1.00 0.00 H new ATOM 330 N MET A 46 1.561 6.330 -0.101 1.00 0.00 N ATOM 331 CA MET A 46 2.382 5.383 -0.853 1.00 0.00 C ATOM 332 C MET A 46 3.299 4.598 0.079 1.00 0.00 C ATOM 333 O MET A 46 3.300 3.367 0.071 1.00 0.00 O ATOM 334 CB MET A 46 3.215 6.114 -1.911 1.00 0.00 C ATOM 335 CG MET A 46 3.748 7.476 -1.462 1.00 0.00 C ATOM 336 SD MET A 46 3.046 8.840 -2.400 1.00 0.00 S ATOM 337 CE MET A 46 4.514 9.479 -3.216 1.00 0.00 C ATOM 0 H MET A 46 1.636 7.298 -0.412 1.00 0.00 H new ATOM 0 HA MET A 46 1.713 4.683 -1.352 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.057 5.482 -2.193 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.606 6.252 -2.805 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.528 7.617 -0.404 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.833 7.489 -1.566 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.242 10.332 -3.838 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.240 9.793 -2.466 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.952 8.700 -3.840 1.00 0.00 H new ATOM 347 N LYS A 47 4.073 5.316 0.887 1.00 0.00 N ATOM 348 CA LYS A 47 4.981 4.678 1.834 1.00 0.00 C ATOM 349 C LYS A 47 4.214 3.808 2.812 1.00 0.00 C ATOM 350 O LYS A 47 4.754 2.842 3.352 1.00 0.00 O ATOM 351 CB LYS A 47 5.785 5.741 2.591 1.00 0.00 C ATOM 352 CG LYS A 47 6.953 5.169 3.378 1.00 0.00 C ATOM 353 CD LYS A 47 8.194 6.041 3.246 1.00 0.00 C ATOM 354 CE LYS A 47 8.683 6.093 1.810 1.00 0.00 C ATOM 355 NZ LYS A 47 10.115 6.502 1.724 1.00 0.00 N ATOM 0 H LYS A 47 4.090 6.336 0.905 1.00 0.00 H new ATOM 0 HA LYS A 47 5.669 4.043 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.161 6.476 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.121 6.270 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.678 5.083 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.175 4.163 3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.970 7.050 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.984 5.651 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.557 5.114 1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.071 6.794 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.410 6.525 0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.232 7.447 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.703 5.819 2.243 1.00 0.00 H new ATOM 369 N ASN A 48 2.946 4.146 3.032 1.00 0.00 N ATOM 370 CA ASN A 48 2.101 3.384 3.943 1.00 0.00 C ATOM 371 C ASN A 48 1.783 2.015 3.352 1.00 0.00 C ATOM 372 O ASN A 48 1.800 1.006 4.056 1.00 0.00 O ATOM 373 CB ASN A 48 0.809 4.142 4.233 1.00 0.00 C ATOM 374 CG ASN A 48 0.833 4.827 5.592 1.00 0.00 C ATOM 375 OD1 ASN A 48 1.183 6.000 5.700 1.00 0.00 O ATOM 376 ND2 ASN A 48 0.465 4.086 6.628 1.00 0.00 N ATOM 0 H ASN A 48 2.483 4.941 2.592 1.00 0.00 H new ATOM 0 HA ASN A 48 2.642 3.246 4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.646 4.888 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.032 3.450 4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.464 4.486 7.566 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.183 3.116 6.487 1.00 0.00 H new ATOM 383 N VAL A 49 1.502 1.987 2.052 1.00 0.00 N ATOM 384 CA VAL A 49 1.191 0.739 1.369 1.00 0.00 C ATOM 385 C VAL A 49 2.370 -0.222 1.446 1.00 0.00 C ATOM 386 O VAL A 49 2.203 -1.401 1.751 1.00 0.00 O ATOM 387 CB VAL A 49 0.830 0.973 -0.109 1.00 0.00 C ATOM 388 CG1 VAL A 49 0.474 -0.345 -0.789 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.310 1.973 -0.226 1.00 0.00 C ATOM 0 H VAL A 49 1.484 2.813 1.454 1.00 0.00 H new ATOM 0 HA VAL A 49 0.328 0.306 1.874 1.00 0.00 H new ATOM 0 HB VAL A 49 1.700 1.390 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.222 -0.159 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.326 -1.023 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.380 -0.796 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.553 2.127 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.186 1.589 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.009 2.921 0.220 1.00 0.00 H new ATOM 399 N ILE A 50 3.564 0.293 1.168 1.00 0.00 N ATOM 400 CA ILE A 50 4.768 -0.525 1.212 1.00 0.00 C ATOM 401 C ILE A 50 4.982 -1.101 2.608 1.00 0.00 C ATOM 402 O ILE A 50 5.425 -2.239 2.762 1.00 0.00 O ATOM 403 CB ILE A 50 6.016 0.281 0.801 1.00 0.00 C ATOM 404 CG1 ILE A 50 5.786 0.968 -0.546 1.00 0.00 C ATOM 405 CG2 ILE A 50 7.237 -0.624 0.737 1.00 0.00 C ATOM 406 CD1 ILE A 50 6.421 2.337 -0.642 1.00 0.00 C ATOM 0 H ILE A 50 3.722 1.268 0.911 1.00 0.00 H new ATOM 0 HA ILE A 50 4.626 -1.338 0.500 1.00 0.00 H new ATOM 0 HB ILE A 50 6.197 1.048 1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.183 0.336 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.714 1.061 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.109 -0.039 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.411 -1.071 1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.068 -1.412 0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.217 2.765 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.006 2.986 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.498 2.249 -0.501 1.00 0.00 H new ATOM 418 N ASN A 51 4.661 -0.305 3.624 1.00 0.00 N ATOM 419 CA ASN A 51 4.816 -0.733 5.009 1.00 0.00 C ATOM 420 C ASN A 51 3.696 -1.687 5.414 1.00 0.00 C ATOM 421 O ASN A 51 3.950 -2.761 5.959 1.00 0.00 O ATOM 422 CB ASN A 51 4.828 0.480 5.941 1.00 0.00 C ATOM 423 CG ASN A 51 5.788 0.307 7.102 1.00 0.00 C ATOM 424 OD1 ASN A 51 5.467 -0.344 8.096 1.00 0.00 O ATOM 425 ND2 ASN A 51 6.975 0.891 6.981 1.00 0.00 N ATOM 0 H ASN A 51 4.292 0.639 3.513 1.00 0.00 H new ATOM 0 HA ASN A 51 5.766 -1.260 5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.105 1.368 5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.822 0.649 6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.662 0.809 7.730 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.199 1.421 6.139 1.00 0.00 H new ATOM 432 N ASN A 52 2.456 -1.289 5.145 1.00 0.00 N ATOM 433 CA ASN A 52 1.301 -2.112 5.485 1.00 0.00 C ATOM 434 C ASN A 52 1.284 -3.389 4.655 1.00 0.00 C ATOM 435 O ASN A 52 1.242 -4.494 5.198 1.00 0.00 O ATOM 436 CB ASN A 52 0.003 -1.326 5.273 1.00 0.00 C ATOM 437 CG ASN A 52 -0.807 -1.195 6.548 1.00 0.00 C ATOM 438 OD1 ASN A 52 -1.280 -2.188 7.103 1.00 0.00 O ATOM 439 ND2 ASN A 52 -0.968 0.031 7.017 1.00 0.00 N ATOM 0 H ASN A 52 2.226 -0.404 4.694 1.00 0.00 H new ATOM 0 HA ASN A 52 1.377 -2.386 6.537 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.241 -0.332 4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.599 -1.823 4.512 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.502 0.184 7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.558 0.824 6.523 1.00 0.00 H new ATOM 446 N ALA A 53 1.322 -3.234 3.337 1.00 0.00 N ATOM 447 CA ALA A 53 1.317 -4.379 2.435 1.00 0.00 C ATOM 448 C ALA A 53 2.451 -5.341 2.772 1.00 0.00 C ATOM 449 O ALA A 53 2.330 -6.552 2.583 1.00 0.00 O ATOM 450 CB ALA A 53 1.428 -3.912 0.990 1.00 0.00 C ATOM 0 H ALA A 53 1.357 -2.328 2.870 1.00 0.00 H new ATOM 0 HA ALA A 53 0.373 -4.910 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.423 -4.777 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.583 -3.266 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.357 -3.358 0.857 1.00 0.00 H new ATOM 456 N LYS A 54 3.553 -4.794 3.282 1.00 0.00 N ATOM 457 CA LYS A 54 4.707 -5.606 3.651 1.00 0.00 C ATOM 458 C LYS A 54 4.514 -6.228 5.029 1.00 0.00 C ATOM 459 O LYS A 54 4.654 -7.439 5.199 1.00 0.00 O ATOM 460 CB LYS A 54 5.983 -4.761 3.632 1.00 0.00 C ATOM 461 CG LYS A 54 7.233 -5.539 4.011 1.00 0.00 C ATOM 462 CD LYS A 54 8.095 -5.840 2.795 1.00 0.00 C ATOM 463 CE LYS A 54 9.380 -6.555 3.185 1.00 0.00 C ATOM 464 NZ LYS A 54 10.074 -7.136 2.003 1.00 0.00 N ATOM 0 H LYS A 54 3.669 -3.794 3.448 1.00 0.00 H new ATOM 0 HA LYS A 54 4.803 -6.408 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.115 -4.340 2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.864 -3.923 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.812 -4.967 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.948 -6.473 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.533 -6.456 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.337 -4.910 2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.046 -5.855 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.152 -7.348 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.944 -7.614 2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.448 -7.823 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.315 -6.377 1.334 1.00 0.00 H new ATOM 478 N LYS A 55 4.190 -5.393 6.010 1.00 0.00 N ATOM 479 CA LYS A 55 3.976 -5.864 7.373 1.00 0.00 C ATOM 480 C LYS A 55 2.869 -6.911 7.412 1.00 0.00 C ATOM 481 O LYS A 55 3.004 -7.947 8.063 1.00 0.00 O ATOM 482 CB LYS A 55 3.624 -4.694 8.294 1.00 0.00 C ATOM 483 CG LYS A 55 4.830 -3.879 8.730 1.00 0.00 C ATOM 484 CD LYS A 55 5.538 -4.522 9.912 1.00 0.00 C ATOM 485 CE LYS A 55 6.309 -3.494 10.725 1.00 0.00 C ATOM 486 NZ LYS A 55 7.401 -2.864 9.933 1.00 0.00 N ATOM 0 H LYS A 55 4.070 -4.388 5.887 1.00 0.00 H new ATOM 0 HA LYS A 55 4.901 -6.322 7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.919 -4.039 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.117 -5.079 9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.526 -3.782 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.512 -2.872 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.806 -5.018 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.222 -5.291 9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.624 -2.722 11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.731 -3.973 11.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.934 -2.207 10.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.041 -3.602 9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.992 -2.342 9.132 1.00 0.00 H new ATOM 500 N ASN A 56 1.777 -6.636 6.704 1.00 0.00 N ATOM 501 CA ASN A 56 0.649 -7.557 6.652 1.00 0.00 C ATOM 502 C ASN A 56 1.064 -8.879 6.015 1.00 0.00 C ATOM 503 O ASN A 56 0.922 -9.944 6.619 1.00 0.00 O ATOM 504 CB ASN A 56 -0.508 -6.938 5.864 1.00 0.00 C ATOM 505 CG ASN A 56 -0.961 -5.614 6.449 1.00 0.00 C ATOM 506 OD1 ASN A 56 -0.865 -5.389 7.656 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.462 -4.730 5.593 1.00 0.00 N ATOM 0 H ASN A 56 1.651 -5.783 6.159 1.00 0.00 H new ATOM 0 HA ASN A 56 0.319 -7.750 7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.201 -6.789 4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.348 -7.633 5.850 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.786 -3.823 5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.523 -4.959 4.601 1.00 0.00 H new ATOM 514 N LEU A 57 1.588 -8.803 4.792 1.00 0.00 N ATOM 515 CA LEU A 57 2.033 -9.995 4.074 1.00 0.00 C ATOM 516 C LEU A 57 2.902 -10.868 4.970 1.00 0.00 C ATOM 517 O LEU A 57 2.578 -12.026 5.235 1.00 0.00 O ATOM 518 CB LEU A 57 2.824 -9.602 2.827 1.00 0.00 C ATOM 519 CG LEU A 57 1.982 -9.115 1.648 1.00 0.00 C ATOM 520 CD1 LEU A 57 2.859 -8.383 0.644 1.00 0.00 C ATOM 521 CD2 LEU A 57 1.267 -10.283 0.985 1.00 0.00 C ATOM 0 H LEU A 57 1.714 -7.930 4.279 1.00 0.00 H new ATOM 0 HA LEU A 57 1.149 -10.559 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.530 -8.817 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.411 -10.461 2.503 1.00 0.00 H new ATOM 0 HG LEU A 57 1.228 -8.421 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.248 -8.041 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.327 -7.525 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.632 -9.058 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.672 -9.918 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.002 -11.001 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.613 -10.768 1.710 1.00 0.00 H new ATOM 533 N GLU A 58 4.007 -10.299 5.433 1.00 0.00 N ATOM 534 CA GLU A 58 4.930 -11.017 6.304 1.00 0.00 C ATOM 535 C GLU A 58 4.225 -11.493 7.571 1.00 0.00 C ATOM 536 O GLU A 58 4.617 -12.494 8.170 1.00 0.00 O ATOM 537 CB GLU A 58 6.118 -10.125 6.671 1.00 0.00 C ATOM 538 CG GLU A 58 7.214 -10.110 5.620 1.00 0.00 C ATOM 539 CD GLU A 58 8.125 -11.319 5.708 1.00 0.00 C ATOM 540 OE1 GLU A 58 7.675 -12.427 5.352 1.00 0.00 O ATOM 541 OE2 GLU A 58 9.287 -11.156 6.134 1.00 0.00 O ATOM 0 H GLU A 58 4.287 -9.342 5.220 1.00 0.00 H new ATOM 0 HA GLU A 58 5.295 -11.890 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.762 -9.107 6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.538 -10.465 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.761 -10.073 4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.808 -9.203 5.733 1.00 0.00 H new ATOM 548 N LYS A 59 3.181 -10.773 7.971 1.00 0.00 N ATOM 549 CA LYS A 59 2.422 -11.130 9.164 1.00 0.00 C ATOM 550 C LYS A 59 1.854 -12.539 9.041 1.00 0.00 C ATOM 551 O LYS A 59 1.790 -13.282 10.021 1.00 0.00 O ATOM 552 CB LYS A 59 1.287 -10.127 9.394 1.00 0.00 C ATOM 553 CG LYS A 59 1.251 -9.561 10.804 1.00 0.00 C ATOM 554 CD LYS A 59 -0.174 -9.330 11.276 1.00 0.00 C ATOM 555 CE LYS A 59 -0.244 -9.185 12.788 1.00 0.00 C ATOM 556 NZ LYS A 59 0.672 -8.120 13.286 1.00 0.00 N ATOM 0 H LYS A 59 2.842 -9.941 7.488 1.00 0.00 H new ATOM 0 HA LYS A 59 3.099 -11.102 10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.390 -9.306 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.335 -10.614 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.754 -10.247 11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.802 -8.621 10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.573 -8.432 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.803 -10.163 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.267 -8.952 13.084 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.014 -10.135 13.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.452 -7.911 14.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.657 -8.446 13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.547 -7.260 12.715 1.00 0.00 H new ATOM 570 N TYR A 60 1.446 -12.903 7.830 1.00 0.00 N ATOM 571 CA TYR A 60 0.886 -14.227 7.579 1.00 0.00 C ATOM 572 C TYR A 60 1.993 -15.245 7.329 1.00 0.00 C ATOM 573 O TYR A 60 1.883 -16.408 7.720 1.00 0.00 O ATOM 574 CB TYR A 60 -0.061 -14.191 6.376 1.00 0.00 C ATOM 575 CG TYR A 60 -0.887 -12.927 6.284 1.00 0.00 C ATOM 576 CD1 TYR A 60 -2.003 -12.743 7.090 1.00 0.00 C ATOM 577 CD2 TYR A 60 -0.551 -11.921 5.388 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.761 -11.590 7.005 1.00 0.00 C ATOM 579 CE2 TYR A 60 -1.304 -10.765 5.297 1.00 0.00 C ATOM 580 CZ TYR A 60 -2.407 -10.605 6.108 1.00 0.00 C ATOM 581 OH TYR A 60 -3.159 -9.456 6.021 1.00 0.00 O ATOM 0 H TYR A 60 1.492 -12.301 7.008 1.00 0.00 H new ATOM 0 HA TYR A 60 0.326 -14.527 8.465 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.524 -14.299 5.462 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.732 -15.049 6.428 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.283 -13.513 7.794 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.313 -12.043 4.752 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.626 -11.462 7.638 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.030 -9.992 4.595 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.561 -9.261 6.893 1.00 0.00 H new ATOM 591 N PHE A 61 3.060 -14.800 6.674 1.00 0.00 N ATOM 592 CA PHE A 61 4.188 -15.670 6.366 1.00 0.00 C ATOM 593 C PHE A 61 4.964 -16.032 7.629 1.00 0.00 C ATOM 594 O PHE A 61 5.574 -17.097 7.709 1.00 0.00 O ATOM 595 CB PHE A 61 5.120 -14.990 5.361 1.00 0.00 C ATOM 596 CG PHE A 61 5.714 -15.938 4.358 1.00 0.00 C ATOM 597 CD1 PHE A 61 5.055 -16.211 3.170 1.00 0.00 C ATOM 598 CD2 PHE A 61 6.930 -16.553 4.602 1.00 0.00 C ATOM 599 CE1 PHE A 61 5.598 -17.082 2.244 1.00 0.00 C ATOM 600 CE2 PHE A 61 7.479 -17.425 3.681 1.00 0.00 C ATOM 601 CZ PHE A 61 6.812 -17.690 2.501 1.00 0.00 C ATOM 0 H PHE A 61 3.167 -13.840 6.346 1.00 0.00 H new ATOM 0 HA PHE A 61 3.795 -16.588 5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.567 -14.214 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.926 -14.495 5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.106 -15.738 2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.456 -16.349 5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.075 -17.287 1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.428 -17.899 3.884 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.239 -18.372 1.780 1.00 0.00 H new ATOM 611 N LYS A 62 4.943 -15.137 8.611 1.00 0.00 N ATOM 612 CA LYS A 62 5.649 -15.367 9.867 1.00 0.00 C ATOM 613 C LYS A 62 4.779 -16.132 10.858 1.00 0.00 C ATOM 614 O LYS A 62 5.281 -16.917 11.662 1.00 0.00 O ATOM 615 CB LYS A 62 6.090 -14.035 10.477 1.00 0.00 C ATOM 616 CG LYS A 62 7.427 -13.538 9.949 1.00 0.00 C ATOM 617 CD LYS A 62 7.386 -12.051 9.622 1.00 0.00 C ATOM 618 CE LYS A 62 8.187 -11.237 10.625 1.00 0.00 C ATOM 619 NZ LYS A 62 8.596 -9.918 10.069 1.00 0.00 N ATOM 0 H LYS A 62 4.446 -14.248 8.562 1.00 0.00 H new ATOM 0 HA LYS A 62 6.530 -15.972 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.327 -13.283 10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.154 -14.144 11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.204 -13.726 10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.697 -14.100 9.055 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.782 -11.887 8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.352 -11.707 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.592 -11.083 11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.074 -11.797 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.140 -9.394 10.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.185 -10.065 9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.749 -9.373 9.810 1.00 0.00 H new ATOM 633 N GLU A 63 3.472 -15.897 10.800 1.00 0.00 N ATOM 634 CA GLU A 63 2.536 -16.564 11.698 1.00 0.00 C ATOM 635 C GLU A 63 2.132 -17.930 11.153 1.00 0.00 C ATOM 636 O GLU A 63 2.159 -18.929 11.873 1.00 0.00 O ATOM 637 CB GLU A 63 1.290 -15.702 11.907 1.00 0.00 C ATOM 638 CG GLU A 63 0.695 -15.825 13.301 1.00 0.00 C ATOM 639 CD GLU A 63 -0.145 -14.622 13.684 1.00 0.00 C ATOM 640 OE1 GLU A 63 0.423 -13.517 13.812 1.00 0.00 O ATOM 641 OE2 GLU A 63 -1.372 -14.784 13.855 1.00 0.00 O ATOM 0 H GLU A 63 3.037 -15.251 10.141 1.00 0.00 H new ATOM 0 HA GLU A 63 3.037 -16.707 12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.544 -14.659 11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.536 -15.983 11.172 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.080 -16.724 13.352 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.500 -15.948 14.026 1.00 0.00 H new ATOM 648 N HIS A 64 1.754 -17.968 9.880 1.00 0.00 N ATOM 649 CA HIS A 64 1.341 -19.214 9.245 1.00 0.00 C ATOM 650 C HIS A 64 2.481 -19.844 8.449 1.00 0.00 C ATOM 651 O HIS A 64 2.275 -20.804 7.708 1.00 0.00 O ATOM 652 CB HIS A 64 0.132 -18.975 8.337 1.00 0.00 C ATOM 653 CG HIS A 64 -1.053 -19.822 8.682 1.00 0.00 C ATOM 654 ND1 HIS A 64 -2.352 -19.440 8.426 1.00 0.00 N ATOM 655 CD2 HIS A 64 -1.130 -21.042 9.266 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.178 -20.386 8.838 1.00 0.00 C ATOM 657 NE2 HIS A 64 -2.461 -21.368 9.351 1.00 0.00 N ATOM 0 H HIS A 64 1.725 -17.152 9.269 1.00 0.00 H new ATOM 0 HA HIS A 64 1.061 -19.910 10.036 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.153 -17.925 8.395 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.420 -19.171 7.304 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.300 -21.645 9.602 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.255 -20.360 8.767 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.835 -22.230 9.747 1.00 0.00 H new ATOM 666 N PHE A 65 3.682 -19.302 8.615 1.00 0.00 N ATOM 667 CA PHE A 65 4.861 -19.806 7.919 1.00 0.00 C ATOM 668 C PHE A 65 4.724 -19.642 6.407 1.00 0.00 C ATOM 669 O PHE A 65 5.384 -18.795 5.804 1.00 0.00 O ATOM 670 CB PHE A 65 5.090 -21.276 8.273 1.00 0.00 C ATOM 671 CG PHE A 65 6.529 -21.607 8.551 1.00 0.00 C ATOM 672 CD1 PHE A 65 7.439 -21.726 7.512 1.00 0.00 C ATOM 673 CD2 PHE A 65 6.971 -21.800 9.849 1.00 0.00 C ATOM 674 CE1 PHE A 65 8.763 -22.031 7.765 1.00 0.00 C ATOM 675 CE2 PHE A 65 8.293 -22.106 10.108 1.00 0.00 C ATOM 676 CZ PHE A 65 9.191 -22.221 9.063 1.00 0.00 C ATOM 0 H PHE A 65 3.866 -18.509 9.229 1.00 0.00 H new ATOM 0 HA PHE A 65 5.722 -19.221 8.243 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.491 -21.528 9.148 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.734 -21.899 7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.110 -21.579 6.494 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.274 -21.710 10.669 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.462 -22.121 6.947 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.624 -22.255 11.125 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.225 -22.459 9.262 1.00 0.00 H new ATOM 686 N LYS A 66 3.863 -20.453 5.799 1.00 0.00 N ATOM 687 CA LYS A 66 3.640 -20.395 4.359 1.00 0.00 C ATOM 688 C LYS A 66 2.154 -20.256 4.046 1.00 0.00 C ATOM 689 O LYS A 66 1.408 -21.236 4.077 1.00 0.00 O ATOM 690 CB LYS A 66 4.199 -21.650 3.685 1.00 0.00 C ATOM 691 CG LYS A 66 4.543 -21.451 2.218 1.00 0.00 C ATOM 692 CD LYS A 66 4.474 -22.760 1.447 1.00 0.00 C ATOM 693 CE LYS A 66 5.640 -22.904 0.480 1.00 0.00 C ATOM 694 NZ LYS A 66 5.211 -22.739 -0.936 1.00 0.00 N ATOM 0 H LYS A 66 3.308 -21.159 6.283 1.00 0.00 H new ATOM 0 HA LYS A 66 4.160 -19.519 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.093 -21.971 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.469 -22.455 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.855 -20.731 1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.544 -21.029 2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.476 -23.596 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.535 -22.809 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.402 -22.162 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.099 -23.884 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.034 -22.844 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.502 -23.463 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.796 -21.794 -1.065 1.00 0.00 H new ATOM 708 N GLU A 67 1.728 -19.033 3.745 1.00 0.00 N ATOM 709 CA GLU A 67 0.328 -18.767 3.428 1.00 0.00 C ATOM 710 C GLU A 67 0.171 -18.330 1.975 1.00 0.00 C ATOM 711 O GLU A 67 1.146 -18.257 1.227 1.00 0.00 O ATOM 712 CB GLU A 67 -0.230 -17.691 4.363 1.00 0.00 C ATOM 713 CG GLU A 67 -1.555 -18.072 5.004 1.00 0.00 C ATOM 714 CD GLU A 67 -2.730 -17.318 4.412 1.00 0.00 C ATOM 715 OE1 GLU A 67 -2.566 -16.121 4.092 1.00 0.00 O ATOM 716 OE2 GLU A 67 -3.812 -17.923 4.269 1.00 0.00 O ATOM 0 H GLU A 67 2.331 -18.211 3.714 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.234 -19.690 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.499 -17.489 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.360 -16.765 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.718 -19.143 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.505 -17.876 6.075 1.00 0.00 H new ATOM 723 N PHE A 68 -1.066 -18.039 1.581 1.00 0.00 N ATOM 724 CA PHE A 68 -1.356 -17.609 0.218 1.00 0.00 C ATOM 725 C PHE A 68 -1.989 -16.222 0.209 1.00 0.00 C ATOM 726 O PHE A 68 -3.165 -16.064 0.536 1.00 0.00 O ATOM 727 CB PHE A 68 -2.288 -18.609 -0.468 1.00 0.00 C ATOM 728 CG PHE A 68 -1.652 -19.947 -0.725 1.00 0.00 C ATOM 729 CD1 PHE A 68 -1.381 -20.813 0.322 1.00 0.00 C ATOM 730 CD2 PHE A 68 -1.327 -20.337 -2.014 1.00 0.00 C ATOM 731 CE1 PHE A 68 -0.797 -22.043 0.089 1.00 0.00 C ATOM 732 CE2 PHE A 68 -0.743 -21.567 -2.254 1.00 0.00 C ATOM 733 CZ PHE A 68 -0.477 -22.421 -1.201 1.00 0.00 C ATOM 0 H PHE A 68 -1.884 -18.094 2.188 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.415 -17.565 -0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.174 -18.750 0.151 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.625 -18.188 -1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.629 -20.523 1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.532 -19.673 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.591 -22.708 0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.495 -21.860 -3.264 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.020 -23.382 -1.386 1.00 0.00 H new ATOM 743 N ASP A 69 -1.204 -15.218 -0.169 1.00 0.00 N ATOM 744 CA ASP A 69 -1.693 -13.844 -0.219 1.00 0.00 C ATOM 745 C ASP A 69 -0.653 -12.914 -0.833 1.00 0.00 C ATOM 746 O ASP A 69 0.540 -13.029 -0.554 1.00 0.00 O ATOM 747 CB ASP A 69 -2.061 -13.360 1.186 1.00 0.00 C ATOM 748 CG ASP A 69 -2.974 -12.150 1.160 1.00 0.00 C ATOM 749 OD1 ASP A 69 -2.455 -11.017 1.073 1.00 0.00 O ATOM 750 OD2 ASP A 69 -4.207 -12.336 1.225 1.00 0.00 O ATOM 0 H ASP A 69 -0.228 -15.329 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.583 -13.826 -0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.550 -14.169 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.151 -13.113 1.732 1.00 0.00 H new ATOM 755 N LYS A 70 -1.114 -11.989 -1.670 1.00 0.00 N ATOM 756 CA LYS A 70 -0.227 -11.036 -2.325 1.00 0.00 C ATOM 757 C LYS A 70 -0.831 -9.636 -2.312 1.00 0.00 C ATOM 758 O LYS A 70 -2.036 -9.467 -2.501 1.00 0.00 O ATOM 759 CB LYS A 70 0.051 -11.470 -3.765 1.00 0.00 C ATOM 760 CG LYS A 70 1.161 -10.677 -4.436 1.00 0.00 C ATOM 761 CD LYS A 70 2.499 -10.906 -3.752 1.00 0.00 C ATOM 762 CE LYS A 70 3.651 -10.812 -4.739 1.00 0.00 C ATOM 763 NZ LYS A 70 3.581 -9.571 -5.559 1.00 0.00 N ATOM 0 H LYS A 70 -2.099 -11.880 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 70 0.713 -11.014 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.316 -12.527 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.863 -11.366 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.233 -10.965 -5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.916 -9.615 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.635 -10.169 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.503 -11.888 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.596 -10.836 -4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.638 -11.682 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.484 -9.432 -6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.812 -9.657 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.398 -8.756 -4.940 1.00 0.00 H new ATOM 777 N ILE A 71 0.011 -8.632 -2.085 1.00 0.00 N ATOM 778 CA ILE A 71 -0.448 -7.249 -2.048 1.00 0.00 C ATOM 779 C ILE A 71 0.463 -6.338 -2.857 1.00 0.00 C ATOM 780 O ILE A 71 1.687 -6.388 -2.730 1.00 0.00 O ATOM 781 CB ILE A 71 -0.539 -6.722 -0.605 1.00 0.00 C ATOM 782 CG1 ILE A 71 -1.436 -7.634 0.223 1.00 0.00 C ATOM 783 CG2 ILE A 71 -1.070 -5.296 -0.588 1.00 0.00 C ATOM 784 CD1 ILE A 71 -1.184 -7.548 1.712 1.00 0.00 C ATOM 0 H ILE A 71 1.011 -8.750 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.444 -7.240 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 71 0.460 -6.718 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.478 -7.381 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.290 -8.664 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.127 -4.941 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.400 -4.652 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.064 -5.272 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.860 -8.225 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.152 -7.830 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.358 -6.527 2.052 1.00 0.00 H new ATOM 796 N SER A 72 -0.148 -5.509 -3.688 1.00 0.00 N ATOM 797 CA SER A 72 0.592 -4.577 -4.527 1.00 0.00 C ATOM 798 C SER A 72 -0.094 -3.216 -4.558 1.00 0.00 C ATOM 799 O SER A 72 -1.188 -3.051 -4.021 1.00 0.00 O ATOM 800 CB SER A 72 0.720 -5.138 -5.942 1.00 0.00 C ATOM 801 OG SER A 72 1.915 -4.694 -6.563 1.00 0.00 O ATOM 0 H SER A 72 -1.161 -5.462 -3.801 1.00 0.00 H new ATOM 0 HA SER A 72 1.588 -4.446 -4.105 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.708 -6.227 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.139 -4.829 -6.538 1.00 0.00 H new ATOM 0 HG SER A 72 1.973 -5.069 -7.467 1.00 0.00 H new ATOM 807 N TYR A 73 0.551 -2.245 -5.197 1.00 0.00 N ATOM 808 CA TYR A 73 -0.005 -0.901 -5.302 1.00 0.00 C ATOM 809 C TYR A 73 0.640 -0.134 -6.450 1.00 0.00 C ATOM 810 O TYR A 73 1.758 -0.441 -6.862 1.00 0.00 O ATOM 811 CB TYR A 73 0.164 -0.144 -3.978 1.00 0.00 C ATOM 812 CG TYR A 73 1.512 0.522 -3.797 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.693 -0.202 -3.903 1.00 0.00 C ATOM 814 CD2 TYR A 73 1.598 1.880 -3.518 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.922 0.410 -3.738 1.00 0.00 C ATOM 816 CE2 TYR A 73 2.821 2.497 -3.350 1.00 0.00 C ATOM 817 CZ TYR A 73 3.981 1.758 -3.462 1.00 0.00 C ATOM 818 OH TYR A 73 5.203 2.370 -3.298 1.00 0.00 O ATOM 0 H TYR A 73 1.458 -2.364 -5.649 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.071 -0.988 -5.513 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.614 0.616 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.004 -0.840 -3.154 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.651 -1.260 -4.118 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.693 2.463 -3.431 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.831 -0.166 -3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.870 3.554 -3.132 1.00 0.00 H new ATOM 0 HH TYR A 73 5.076 3.339 -3.221 1.00 0.00 H new ATOM 828 N ASP A 74 -0.074 0.859 -6.970 1.00 0.00 N ATOM 829 CA ASP A 74 0.441 1.649 -8.077 1.00 0.00 C ATOM 830 C ASP A 74 -0.333 2.954 -8.255 1.00 0.00 C ATOM 831 O ASP A 74 -1.389 3.152 -7.657 1.00 0.00 O ATOM 832 CB ASP A 74 0.393 0.840 -9.375 1.00 0.00 C ATOM 833 CG ASP A 74 1.582 1.114 -10.272 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.727 0.906 -9.821 1.00 0.00 O ATOM 835 OD2 ASP A 74 1.371 1.545 -11.430 1.00 0.00 O ATOM 0 H ASP A 74 -1.001 1.132 -6.645 1.00 0.00 H new ATOM 0 HA ASP A 74 1.475 1.901 -7.841 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.359 -0.223 -9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.526 1.075 -9.912 1.00 0.00 H new ATOM 840 N ILE A 75 0.207 3.844 -9.089 1.00 0.00 N ATOM 841 CA ILE A 75 -0.426 5.128 -9.356 1.00 0.00 C ATOM 842 C ILE A 75 -1.072 5.143 -10.737 1.00 0.00 C ATOM 843 O ILE A 75 -0.609 4.466 -11.654 1.00 0.00 O ATOM 844 CB ILE A 75 0.590 6.285 -9.265 1.00 0.00 C ATOM 845 CG1 ILE A 75 1.428 6.150 -7.991 1.00 0.00 C ATOM 846 CG2 ILE A 75 -0.131 7.623 -9.297 1.00 0.00 C ATOM 847 CD1 ILE A 75 2.771 5.489 -8.219 1.00 0.00 C ATOM 0 H ILE A 75 1.083 3.695 -9.590 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.194 5.268 -8.595 1.00 0.00 H new ATOM 0 HB ILE A 75 1.259 6.237 -10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.587 7.140 -7.564 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.867 5.572 -7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.598 8.431 -9.232 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.690 7.713 -10.228 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.819 7.686 -8.454 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.311 5.426 -7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.620 4.486 -8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.351 6.078 -8.930 1.00 0.00 H new ATOM 859 N SER A 76 -2.149 5.910 -10.875 1.00 0.00 N ATOM 860 CA SER A 76 -2.857 6.002 -12.145 1.00 0.00 C ATOM 861 C SER A 76 -3.610 7.325 -12.265 1.00 0.00 C ATOM 862 O SER A 76 -3.535 8.185 -11.378 1.00 0.00 O ATOM 863 CB SER A 76 -3.833 4.831 -12.295 1.00 0.00 C ATOM 864 OG SER A 76 -3.236 3.756 -12.998 1.00 0.00 O ATOM 0 H SER A 76 -2.549 6.475 -10.125 1.00 0.00 H new ATOM 0 HA SER A 76 -2.117 5.957 -12.944 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.153 4.492 -11.310 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.726 5.164 -12.824 1.00 0.00 H new ATOM 0 HG SER A 76 -2.285 3.702 -12.767 1.00 0.00 H new ATOM 870 N THR A 77 -4.332 7.483 -13.373 1.00 0.00 N ATOM 871 CA THR A 77 -5.105 8.699 -13.629 1.00 0.00 C ATOM 872 C THR A 77 -4.191 9.876 -13.920 1.00 0.00 C ATOM 873 O THR A 77 -3.129 10.016 -13.311 1.00 0.00 O ATOM 874 CB THR A 77 -6.006 9.019 -12.431 1.00 0.00 C ATOM 875 OG1 THR A 77 -6.231 7.862 -11.644 1.00 0.00 O ATOM 876 CG2 THR A 77 -7.356 9.575 -12.830 1.00 0.00 C ATOM 0 H THR A 77 -4.398 6.782 -14.111 1.00 0.00 H new ATOM 0 HA THR A 77 -5.727 8.523 -14.507 1.00 0.00 H new ATOM 0 HB THR A 77 -5.470 9.780 -11.864 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.168 7.838 -11.358 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.944 9.780 -11.935 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.217 10.498 -13.392 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.880 8.848 -13.450 1.00 0.00 H new ATOM 884 N PRO A 78 -4.586 10.765 -14.860 1.00 0.00 N ATOM 885 CA PRO A 78 -3.795 11.937 -15.218 1.00 0.00 C ATOM 886 C PRO A 78 -3.300 12.685 -13.986 1.00 0.00 C ATOM 887 O PRO A 78 -2.221 13.275 -13.990 1.00 0.00 O ATOM 888 CB PRO A 78 -4.782 12.796 -16.008 1.00 0.00 C ATOM 889 CG PRO A 78 -5.721 11.821 -16.614 1.00 0.00 C ATOM 890 CD PRO A 78 -5.843 10.684 -15.630 1.00 0.00 C ATOM 0 HA PRO A 78 -2.896 11.677 -15.777 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.304 13.499 -15.359 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.273 13.384 -16.772 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.692 12.280 -16.800 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.347 11.466 -17.574 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.716 10.800 -14.988 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.944 9.724 -16.135 1.00 0.00 H new ATOM 898 N ILE A 79 -4.097 12.633 -12.924 1.00 0.00 N ATOM 899 CA ILE A 79 -3.750 13.285 -11.670 1.00 0.00 C ATOM 900 C ILE A 79 -3.104 12.278 -10.722 1.00 0.00 C ATOM 901 O ILE A 79 -3.170 11.076 -10.955 1.00 0.00 O ATOM 902 CB ILE A 79 -4.992 13.898 -10.987 1.00 0.00 C ATOM 903 CG1 ILE A 79 -5.866 14.628 -12.011 1.00 0.00 C ATOM 904 CG2 ILE A 79 -4.572 14.849 -9.876 1.00 0.00 C ATOM 905 CD1 ILE A 79 -7.300 14.803 -11.561 1.00 0.00 C ATOM 0 H ILE A 79 -4.992 12.143 -12.909 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.050 14.089 -11.898 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.577 13.089 -10.550 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.434 15.608 -12.213 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.853 14.074 -12.950 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.459 15.272 -9.405 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.991 14.305 -9.132 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.965 15.652 -10.294 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.862 15.327 -12.334 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.748 13.825 -11.386 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.324 15.383 -10.638 1.00 0.00 H new ATOM 917 N ASN A 80 -2.472 12.777 -9.666 1.00 0.00 N ATOM 918 CA ASN A 80 -1.813 11.910 -8.698 1.00 0.00 C ATOM 919 C ASN A 80 -2.834 11.024 -7.971 1.00 0.00 C ATOM 920 O ASN A 80 -3.128 11.243 -6.799 1.00 0.00 O ATOM 921 CB ASN A 80 -1.030 12.742 -7.682 1.00 0.00 C ATOM 922 CG ASN A 80 0.392 13.019 -8.135 1.00 0.00 C ATOM 923 OD1 ASN A 80 0.631 13.372 -9.290 1.00 0.00 O ATOM 924 ND2 ASN A 80 1.343 12.852 -7.221 1.00 0.00 N ATOM 0 H ASN A 80 -2.402 13.773 -9.459 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.120 11.267 -9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.546 13.687 -7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.009 12.218 -6.726 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.319 13.018 -7.465 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.096 12.558 -6.276 1.00 0.00 H new ATOM 931 N PHE A 81 -3.360 10.035 -8.683 1.00 0.00 N ATOM 932 CA PHE A 81 -4.342 9.116 -8.101 1.00 0.00 C ATOM 933 C PHE A 81 -3.659 7.853 -7.594 1.00 0.00 C ATOM 934 O PHE A 81 -2.905 7.214 -8.327 1.00 0.00 O ATOM 935 CB PHE A 81 -5.408 8.761 -9.137 1.00 0.00 C ATOM 936 CG PHE A 81 -6.768 8.525 -8.538 1.00 0.00 C ATOM 937 CD1 PHE A 81 -7.383 9.512 -7.782 1.00 0.00 C ATOM 938 CD2 PHE A 81 -7.428 7.324 -8.733 1.00 0.00 C ATOM 939 CE1 PHE A 81 -8.631 9.303 -7.233 1.00 0.00 C ATOM 940 CE2 PHE A 81 -8.675 7.113 -8.188 1.00 0.00 C ATOM 941 CZ PHE A 81 -9.283 8.096 -7.432 1.00 0.00 C ATOM 0 H PHE A 81 -3.128 9.846 -9.658 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.821 9.611 -7.256 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.476 9.567 -9.868 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.096 7.866 -9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.879 10.454 -7.622 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.961 6.545 -9.318 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.100 10.080 -6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.181 6.173 -8.353 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.258 7.926 -7.000 1.00 0.00 H new ATOM 951 N LEU A 82 -3.915 7.511 -6.338 1.00 0.00 N ATOM 952 CA LEU A 82 -3.314 6.326 -5.739 1.00 0.00 C ATOM 953 C LEU A 82 -4.253 5.129 -5.830 1.00 0.00 C ATOM 954 O LEU A 82 -5.210 5.020 -5.065 1.00 0.00 O ATOM 955 CB LEU A 82 -2.940 6.607 -4.283 1.00 0.00 C ATOM 956 CG LEU A 82 -1.564 7.245 -4.076 1.00 0.00 C ATOM 957 CD1 LEU A 82 -0.466 6.323 -4.586 1.00 0.00 C ATOM 958 CD2 LEU A 82 -1.497 8.596 -4.768 1.00 0.00 C ATOM 0 H LEU A 82 -4.532 8.034 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.409 6.082 -6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.696 7.263 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.976 5.670 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.410 7.399 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.505 6.793 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.503 5.378 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.613 6.136 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.512 9.037 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.671 8.467 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.260 9.255 -4.353 1.00 0.00 H new ATOM 970 N CYS A 83 -3.970 4.235 -6.775 1.00 0.00 N ATOM 971 CA CYS A 83 -4.788 3.041 -6.973 1.00 0.00 C ATOM 972 C CYS A 83 -4.044 1.787 -6.525 1.00 0.00 C ATOM 973 O CYS A 83 -3.005 1.434 -7.082 1.00 0.00 O ATOM 974 CB CYS A 83 -5.192 2.912 -8.443 1.00 0.00 C ATOM 975 SG CYS A 83 -6.871 2.291 -8.694 1.00 0.00 S ATOM 0 H CYS A 83 -3.180 4.315 -7.416 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.686 3.143 -6.364 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.102 3.888 -8.921 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.491 2.245 -8.945 1.00 0.00 H new ATOM 0 HG CYS A 83 -7.121 2.219 -9.968 1.00 0.00 H new ATOM 981 N ILE A 84 -4.583 1.118 -5.513 1.00 0.00 N ATOM 982 CA ILE A 84 -3.975 -0.096 -4.979 1.00 0.00 C ATOM 983 C ILE A 84 -4.435 -1.334 -5.744 1.00 0.00 C ATOM 984 O ILE A 84 -5.595 -1.437 -6.140 1.00 0.00 O ATOM 985 CB ILE A 84 -4.320 -0.271 -3.490 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.827 0.933 -2.687 1.00 0.00 C ATOM 987 CG2 ILE A 84 -3.750 -1.575 -2.941 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.383 0.833 -2.265 1.00 0.00 C ATOM 0 H ILE A 84 -5.444 1.397 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.896 0.010 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.404 -0.326 -3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.960 1.835 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.449 1.045 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.010 -1.671 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.167 -2.416 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.665 -1.572 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.106 1.723 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.247 -0.050 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.750 0.753 -3.149 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.518 -2.276 -5.930 1.00 0.00 N ATOM 1001 CA PHE A 85 -3.821 -3.520 -6.630 1.00 0.00 C ATOM 1002 C PHE A 85 -3.365 -4.716 -5.802 1.00 0.00 C ATOM 1003 O PHE A 85 -2.248 -5.204 -5.964 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.145 -3.539 -8.003 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.092 -3.826 -9.134 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.343 -3.233 -9.176 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -3.730 -4.690 -10.155 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.216 -3.495 -10.215 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -4.597 -4.957 -11.197 1.00 0.00 C ATOM 1010 CZ PHE A 85 -5.843 -4.358 -11.227 1.00 0.00 C ATOM 0 H PHE A 85 -2.554 -2.202 -5.604 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.900 -3.583 -6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.666 -2.575 -8.177 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.356 -4.291 -8.000 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.640 -2.558 -8.387 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.758 -5.161 -10.136 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.188 -3.026 -10.236 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.302 -5.632 -11.987 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.523 -4.565 -12.040 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.233 -5.172 -4.904 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.919 -6.305 -4.035 1.00 0.00 C ATOM 1022 C ILE A 86 -4.455 -7.623 -4.609 1.00 0.00 C ATOM 1023 O ILE A 86 -5.654 -7.893 -4.542 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.497 -6.092 -2.616 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -4.359 -7.363 -1.771 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.954 -5.658 -2.693 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.883 -7.209 -0.359 1.00 0.00 C ATOM 0 H ILE A 86 -5.161 -4.775 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.832 -6.367 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.924 -5.301 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.894 -8.176 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.308 -7.651 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.344 -5.513 -1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.026 -4.723 -3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.536 -6.427 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.753 -8.147 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.332 -6.418 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.942 -6.951 -0.390 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.571 -8.469 -5.179 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.957 -9.756 -5.752 1.00 0.00 C ATOM 1041 C PRO A 87 -4.049 -10.846 -4.688 1.00 0.00 C ATOM 1042 O PRO A 87 -3.069 -11.127 -3.999 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.821 -10.069 -6.742 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.816 -8.965 -6.597 1.00 0.00 C ATOM 1045 CD PRO A 87 -2.130 -8.253 -5.311 1.00 0.00 C ATOM 0 HA PRO A 87 -4.941 -9.718 -6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.370 -11.036 -6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.199 -10.119 -7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.802 -9.366 -6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.872 -8.279 -7.442 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.577 -8.671 -4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.881 -7.193 -5.362 1.00 0.00 H new ATOM 1053 N THR A 88 -5.224 -11.458 -4.545 1.00 0.00 N ATOM 1054 CA THR A 88 -5.397 -12.507 -3.544 1.00 0.00 C ATOM 1055 C THR A 88 -6.746 -13.206 -3.672 1.00 0.00 C ATOM 1056 O THR A 88 -7.609 -12.791 -4.447 1.00 0.00 O ATOM 1057 CB THR A 88 -5.249 -11.917 -2.139 1.00 0.00 C ATOM 1058 OG1 THR A 88 -5.326 -12.934 -1.155 1.00 0.00 O ATOM 1059 CG2 THR A 88 -6.299 -10.875 -1.815 1.00 0.00 C ATOM 0 H THR A 88 -6.055 -11.250 -5.099 1.00 0.00 H new ATOM 0 HA THR A 88 -4.622 -13.254 -3.716 1.00 0.00 H new ATOM 0 HB THR A 88 -4.271 -11.436 -2.128 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.936 -12.608 -0.317 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.137 -10.497 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.227 -10.052 -2.526 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.290 -11.325 -1.880 1.00 0.00 H new ATOM 1067 N LEU A 89 -6.918 -14.273 -2.897 1.00 0.00 N ATOM 1068 CA LEU A 89 -8.155 -15.044 -2.904 1.00 0.00 C ATOM 1069 C LEU A 89 -8.940 -14.812 -1.616 1.00 0.00 C ATOM 1070 O LEU A 89 -8.739 -15.509 -0.622 1.00 0.00 O ATOM 1071 CB LEU A 89 -7.843 -16.537 -3.072 1.00 0.00 C ATOM 1072 CG LEU A 89 -8.978 -17.496 -2.699 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -10.288 -17.055 -3.335 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -8.631 -18.917 -3.119 1.00 0.00 C ATOM 0 H LEU A 89 -6.210 -14.624 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.766 -14.712 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.566 -16.717 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.972 -16.779 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.103 -17.475 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.080 -17.750 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.544 -16.055 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.180 -17.043 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.447 -19.586 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.478 -18.951 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.719 -19.233 -2.613 1.00 0.00 H new ATOM 1086 N PHE A 90 -9.837 -13.831 -1.642 1.00 0.00 N ATOM 1087 CA PHE A 90 -10.649 -13.513 -0.474 1.00 0.00 C ATOM 1088 C PHE A 90 -11.535 -14.692 -0.096 1.00 0.00 C ATOM 1089 O PHE A 90 -12.697 -14.769 -0.494 1.00 0.00 O ATOM 1090 CB PHE A 90 -11.508 -12.271 -0.723 1.00 0.00 C ATOM 1091 CG PHE A 90 -12.144 -12.222 -2.086 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -13.391 -12.786 -2.306 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -11.496 -11.607 -3.146 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -13.978 -12.740 -3.556 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -12.078 -11.557 -4.398 1.00 0.00 C ATOM 1096 CZ PHE A 90 -13.321 -12.124 -4.604 1.00 0.00 C ATOM 0 H PHE A 90 -10.019 -13.245 -2.457 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.971 -13.304 0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -12.292 -12.228 0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -10.889 -11.383 -0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -13.910 -13.267 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -10.524 -11.162 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -14.949 -13.185 -3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.562 -11.075 -5.215 1.00 0.00 H new ATOM 0 HZ PHE A 90 -13.778 -12.086 -5.582 1.00 0.00 H new ATOM 1106 N ASP A 91 -10.972 -15.610 0.677 1.00 0.00 N ATOM 1107 CA ASP A 91 -11.698 -16.796 1.119 1.00 0.00 C ATOM 1108 C ASP A 91 -10.830 -17.655 2.034 1.00 0.00 C ATOM 1109 O ASP A 91 -11.299 -18.165 3.051 1.00 0.00 O ATOM 1110 CB ASP A 91 -12.156 -17.620 -0.086 1.00 0.00 C ATOM 1111 CG ASP A 91 -13.365 -18.479 0.226 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -13.417 -19.051 1.335 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -14.260 -18.582 -0.640 1.00 0.00 O ATOM 0 H ASP A 91 -10.010 -15.557 1.013 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.573 -16.467 1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.394 -16.949 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.337 -18.258 -0.419 1.00 0.00 H new ATOM 1118 N MET A 92 -9.563 -17.813 1.662 1.00 0.00 N ATOM 1119 CA MET A 92 -8.628 -18.614 2.448 1.00 0.00 C ATOM 1120 C MET A 92 -8.578 -18.138 3.897 1.00 0.00 C ATOM 1121 O MET A 92 -8.848 -18.906 4.821 1.00 0.00 O ATOM 1122 CB MET A 92 -7.224 -18.567 1.834 1.00 0.00 C ATOM 1123 CG MET A 92 -6.807 -17.185 1.349 1.00 0.00 C ATOM 1124 SD MET A 92 -5.448 -16.490 2.310 1.00 0.00 S ATOM 1125 CE MET A 92 -5.743 -14.737 2.096 1.00 0.00 C ATOM 0 H MET A 92 -9.160 -17.398 0.822 1.00 0.00 H new ATOM 0 HA MET A 92 -8.985 -19.644 2.435 1.00 0.00 H new ATOM 0 HB2 MET A 92 -6.503 -18.914 2.574 1.00 0.00 H new ATOM 0 HB3 MET A 92 -7.181 -19.263 0.996 1.00 0.00 H new ATOM 0 HG2 MET A 92 -6.512 -17.246 0.302 1.00 0.00 H new ATOM 0 HG3 MET A 92 -7.664 -16.513 1.400 1.00 0.00 H new ATOM 0 HE1 MET A 92 -5.014 -14.172 2.677 1.00 0.00 H new ATOM 0 HE2 MET A 92 -5.646 -14.478 1.042 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.748 -14.493 2.439 1.00 0.00 H new ATOM 1135 N ASN A 93 -8.233 -16.869 4.091 1.00 0.00 N ATOM 1136 CA ASN A 93 -8.153 -16.298 5.429 1.00 0.00 C ATOM 1137 C ASN A 93 -9.511 -16.343 6.124 1.00 0.00 C ATOM 1138 O ASN A 93 -9.592 -16.328 7.351 1.00 0.00 O ATOM 1139 CB ASN A 93 -7.648 -14.855 5.360 1.00 0.00 C ATOM 1140 CG ASN A 93 -6.173 -14.743 5.696 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -5.325 -14.668 4.808 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -5.861 -14.732 6.986 1.00 0.00 N ATOM 0 H ASN A 93 -8.005 -16.218 3.339 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.450 -16.895 6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.821 -14.460 4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.223 -14.238 6.050 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.885 -14.659 7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.597 -14.796 7.689 1.00 0.00 H new ATOM 1149 N ASN A 94 -10.577 -16.399 5.328 1.00 0.00 N ATOM 1150 CA ASN A 94 -11.933 -16.447 5.867 1.00 0.00 C ATOM 1151 C ASN A 94 -12.163 -15.329 6.882 1.00 0.00 C ATOM 1152 O ASN A 94 -12.955 -15.477 7.813 1.00 0.00 O ATOM 1153 CB ASN A 94 -12.197 -17.808 6.517 1.00 0.00 C ATOM 1154 CG ASN A 94 -13.474 -18.452 6.012 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -13.508 -19.019 4.920 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -14.534 -18.366 6.807 1.00 0.00 N ATOM 0 H ASN A 94 -10.527 -16.412 4.309 1.00 0.00 H new ATOM 0 HA ASN A 94 -12.629 -16.305 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.355 -18.472 6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.258 -17.685 7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -15.421 -18.779 6.520 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -14.461 -17.887 7.704 1.00 0.00 H new ATOM 1163 N MET A 95 -11.465 -14.212 6.696 1.00 0.00 N ATOM 1164 CA MET A 95 -11.595 -13.073 7.597 1.00 0.00 C ATOM 1165 C MET A 95 -11.870 -11.787 6.821 1.00 0.00 C ATOM 1166 O MET A 95 -13.016 -11.348 6.717 1.00 0.00 O ATOM 1167 CB MET A 95 -10.327 -12.916 8.441 1.00 0.00 C ATOM 1168 CG MET A 95 -10.179 -13.977 9.520 1.00 0.00 C ATOM 1169 SD MET A 95 -9.159 -13.425 10.901 1.00 0.00 S ATOM 1170 CE MET A 95 -10.315 -12.381 11.778 1.00 0.00 C ATOM 0 H MET A 95 -10.805 -14.072 5.931 1.00 0.00 H new ATOM 0 HA MET A 95 -12.442 -13.261 8.257 1.00 0.00 H new ATOM 0 HB2 MET A 95 -9.457 -12.953 7.785 1.00 0.00 H new ATOM 0 HB3 MET A 95 -10.332 -11.932 8.909 1.00 0.00 H new ATOM 0 HG2 MET A 95 -11.166 -14.253 9.890 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.739 -14.874 9.084 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.796 -11.500 12.156 1.00 0.00 H new ATOM 0 HE2 MET A 95 -11.111 -12.070 11.101 1.00 0.00 H new ATOM 0 HE3 MET A 95 -10.745 -12.935 12.613 1.00 0.00 H new ATOM 1180 N ASP A 96 -10.815 -11.186 6.276 1.00 0.00 N ATOM 1181 CA ASP A 96 -10.950 -9.951 5.510 1.00 0.00 C ATOM 1182 C ASP A 96 -9.596 -9.486 4.980 1.00 0.00 C ATOM 1183 O ASP A 96 -9.385 -9.413 3.770 1.00 0.00 O ATOM 1184 CB ASP A 96 -11.577 -8.853 6.374 1.00 0.00 C ATOM 1185 CG ASP A 96 -13.035 -8.615 6.035 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -13.323 -8.240 4.880 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -13.889 -8.803 6.925 1.00 0.00 O ATOM 0 H ASP A 96 -9.859 -11.534 6.351 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.603 -10.152 4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -11.491 -9.128 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.019 -7.926 6.240 1.00 0.00 H new ATOM 1192 N LEU A 97 -8.682 -9.173 5.895 1.00 0.00 N ATOM 1193 CA LEU A 97 -7.343 -8.713 5.525 1.00 0.00 C ATOM 1194 C LEU A 97 -7.382 -7.281 4.995 1.00 0.00 C ATOM 1195 O LEU A 97 -6.753 -6.385 5.556 1.00 0.00 O ATOM 1196 CB LEU A 97 -6.722 -9.641 4.477 1.00 0.00 C ATOM 1197 CG LEU A 97 -6.892 -11.136 4.754 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -6.613 -11.946 3.497 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -5.976 -11.572 5.888 1.00 0.00 C ATOM 0 H LEU A 97 -8.843 -9.229 6.901 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.726 -8.733 6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.163 -9.414 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.657 -9.419 4.403 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.924 -11.318 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.739 -13.007 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.309 -11.650 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.591 -11.762 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.108 -12.638 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.939 -11.377 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.223 -11.013 6.791 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.124 -7.074 3.909 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.245 -5.752 3.299 1.00 0.00 C ATOM 1213 C LEU A 98 -8.646 -4.696 4.329 1.00 0.00 C ATOM 1214 O LEU A 98 -8.384 -3.508 4.144 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.273 -5.785 2.167 1.00 0.00 C ATOM 1216 CG LEU A 98 -8.850 -6.581 0.931 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -10.030 -7.352 0.361 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -8.257 -5.655 -0.119 1.00 0.00 C ATOM 0 H LEU A 98 -8.651 -7.806 3.433 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.269 -5.482 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.201 -6.207 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.490 -4.761 1.864 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.086 -7.299 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.709 -7.912 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.410 -8.044 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.818 -6.654 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.961 -6.237 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.000 -4.914 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.384 -5.150 0.293 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.283 -5.136 5.411 1.00 0.00 N ATOM 1231 CA LYS A 99 -9.722 -4.228 6.468 1.00 0.00 C ATOM 1232 C LYS A 99 -8.612 -3.256 6.863 1.00 0.00 C ATOM 1233 O LYS A 99 -8.887 -2.134 7.300 1.00 0.00 O ATOM 1234 CB LYS A 99 -10.179 -5.030 7.686 1.00 0.00 C ATOM 1235 CG LYS A 99 -11.522 -4.574 8.240 1.00 0.00 C ATOM 1236 CD LYS A 99 -12.653 -5.467 7.752 1.00 0.00 C ATOM 1237 CE LYS A 99 -12.972 -5.216 6.288 1.00 0.00 C ATOM 1238 NZ LYS A 99 -13.955 -4.107 6.117 1.00 0.00 N ATOM 0 H LYS A 99 -9.507 -6.117 5.579 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.558 -3.642 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.245 -6.084 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.425 -4.949 8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.491 -4.585 9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.712 -3.544 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.378 -6.512 7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.544 -5.289 8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.054 -4.974 5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.371 -6.127 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.147 -3.966 5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.840 -4.349 6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.564 -3.232 6.520 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.361 -3.685 6.704 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.224 -2.839 7.048 1.00 0.00 C ATOM 1254 C GLN A 100 -5.994 -1.801 5.957 1.00 0.00 C ATOM 1255 O GLN A 100 -6.018 -0.596 6.216 1.00 0.00 O ATOM 1256 CB GLN A 100 -4.964 -3.696 7.232 1.00 0.00 C ATOM 1257 CG GLN A 100 -4.311 -3.517 8.596 1.00 0.00 C ATOM 1258 CD GLN A 100 -4.169 -4.827 9.348 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -3.116 -5.120 9.914 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -5.237 -5.616 9.368 1.00 0.00 N ATOM 0 H GLN A 100 -7.112 -4.606 6.342 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.440 -2.325 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.223 -4.746 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.243 -3.442 6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.327 -3.067 8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.904 -2.823 9.191 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.089 -5.333 8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.205 -6.505 9.867 1.00 0.00 H new ATOM 1269 N ALA A 101 -5.788 -2.275 4.741 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.568 -1.399 3.600 1.00 0.00 C ATOM 1271 C ALA A 101 -6.743 -0.443 3.424 1.00 0.00 C ATOM 1272 O ALA A 101 -6.558 0.750 3.175 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.364 -2.231 2.346 1.00 0.00 C ATOM 0 H ALA A 101 -5.768 -3.270 4.516 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.672 -0.804 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.200 -1.571 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.497 -2.878 2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.249 -2.842 2.166 1.00 0.00 H new ATOM 1279 N LEU A 102 -7.954 -0.978 3.563 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.165 -0.181 3.428 1.00 0.00 C ATOM 1281 C LEU A 102 -9.213 0.907 4.497 1.00 0.00 C ATOM 1282 O LEU A 102 -9.760 1.981 4.271 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.404 -1.076 3.534 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.530 -0.746 2.554 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -12.322 -2.001 2.209 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.438 0.326 3.126 1.00 0.00 C ATOM 0 H LEU A 102 -8.120 -1.963 3.770 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.155 0.295 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.100 -2.111 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.796 -1.009 4.549 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.087 -0.360 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.119 -1.747 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.659 -2.735 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.755 -2.419 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.233 0.547 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.875 -0.028 4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.859 1.230 3.316 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.626 0.617 5.654 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.594 1.572 6.751 1.00 0.00 C ATOM 1300 C LEU A 103 -7.662 2.737 6.426 1.00 0.00 C ATOM 1301 O LEU A 103 -7.821 3.838 6.949 1.00 0.00 O ATOM 1302 CB LEU A 103 -8.144 0.883 8.042 1.00 0.00 C ATOM 1303 CG LEU A 103 -9.123 1.005 9.215 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -9.172 -0.295 10.003 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -8.730 2.164 10.116 1.00 0.00 C ATOM 0 H LEU A 103 -8.167 -0.272 5.854 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.601 1.964 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.979 -0.174 7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.184 1.302 8.344 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.118 1.203 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.872 -0.192 10.832 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.500 -1.104 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.179 -0.522 10.392 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.435 2.237 10.944 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.727 1.996 10.508 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.746 3.091 9.544 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.690 2.486 5.555 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.735 3.513 5.158 1.00 0.00 C ATOM 1319 C ILE A 104 -6.355 4.486 4.159 1.00 0.00 C ATOM 1320 O ILE A 104 -6.193 5.697 4.282 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.466 2.891 4.527 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -3.906 1.795 5.435 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -3.418 3.964 4.275 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.578 2.272 6.831 1.00 0.00 C ATOM 0 H ILE A 104 -6.543 1.580 5.111 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.458 4.051 6.064 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.735 2.444 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -4.630 0.983 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.005 1.384 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.532 3.510 3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.821 4.714 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.149 4.438 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.186 1.441 7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.830 3.063 6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -4.481 2.657 7.306 1.00 0.00 H new ATOM 1336 N LEU A 105 -7.064 3.950 3.171 1.00 0.00 N ATOM 1337 CA LEU A 105 -7.702 4.779 2.153 1.00 0.00 C ATOM 1338 C LEU A 105 -8.807 5.640 2.769 1.00 0.00 C ATOM 1339 O LEU A 105 -9.028 6.773 2.345 1.00 0.00 O ATOM 1340 CB LEU A 105 -8.271 3.908 1.024 1.00 0.00 C ATOM 1341 CG LEU A 105 -9.639 3.280 1.303 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -10.758 4.231 0.897 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -9.774 1.954 0.579 1.00 0.00 C ATOM 0 H LEU A 105 -7.211 2.948 3.053 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.945 5.440 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.347 4.516 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.560 3.109 0.811 1.00 0.00 H new ATOM 0 HG LEU A 105 -9.720 3.095 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.723 3.767 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.672 5.157 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.681 4.450 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -10.753 1.523 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.671 2.113 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.996 1.272 0.921 1.00 0.00 H new ATOM 1355 N HIS A 106 -9.492 5.087 3.761 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.573 5.801 4.428 1.00 0.00 C ATOM 1357 C HIS A 106 -10.033 6.953 5.278 1.00 0.00 C ATOM 1358 O HIS A 106 -10.575 8.052 5.262 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.380 4.845 5.309 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.735 5.364 5.677 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -13.423 6.281 4.911 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.533 5.091 6.741 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.583 6.549 5.487 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.672 5.836 6.593 1.00 0.00 N ATOM 0 H HIS A 106 -9.319 4.148 4.121 1.00 0.00 H new ATOM 0 HA HIS A 106 -11.223 6.215 3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.494 3.894 4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.818 4.644 6.221 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.311 4.413 7.552 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -15.330 7.235 5.115 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.464 5.839 7.236 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.956 6.684 6.009 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.341 7.696 6.863 1.00 0.00 C ATOM 1375 C ASN A 107 -7.759 8.833 6.027 1.00 0.00 C ATOM 1376 O ASN A 107 -7.689 9.973 6.481 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.242 7.065 7.720 1.00 0.00 C ATOM 1378 CG ASN A 107 -7.187 7.662 9.112 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -7.904 8.619 9.424 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -6.336 7.101 9.964 1.00 0.00 N ATOM 0 H ASN A 107 -8.491 5.776 6.028 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.113 8.106 7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.413 5.991 7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.278 7.201 7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.257 7.459 10.916 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.762 6.312 9.666 1.00 0.00 H new ATOM 1387 N ASP A 108 -7.341 8.518 4.809 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.763 9.514 3.916 1.00 0.00 C ATOM 1389 C ASP A 108 -7.849 10.352 3.251 1.00 0.00 C ATOM 1390 O ASP A 108 -7.643 11.523 2.948 1.00 0.00 O ATOM 1391 CB ASP A 108 -5.908 8.835 2.844 1.00 0.00 C ATOM 1392 CG ASP A 108 -4.656 9.622 2.521 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -4.762 10.623 1.789 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -3.566 9.229 2.992 1.00 0.00 O ATOM 0 H ASP A 108 -7.391 7.578 4.415 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.135 10.174 4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.629 7.837 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.499 8.710 1.937 1.00 0.00 H new ATOM 1399 N LEU A 109 -9.016 9.750 3.044 1.00 0.00 N ATOM 1400 CA LEU A 109 -10.137 10.446 2.420 1.00 0.00 C ATOM 1401 C LEU A 109 -11.025 11.110 3.470 1.00 0.00 C ATOM 1402 O LEU A 109 -11.659 12.124 3.199 1.00 0.00 O ATOM 1403 CB LEU A 109 -10.960 9.467 1.572 1.00 0.00 C ATOM 1404 CG LEU A 109 -11.462 10.029 0.242 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -11.680 8.909 -0.758 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -12.746 10.818 0.441 1.00 0.00 C ATOM 0 H LEU A 109 -9.210 8.782 3.299 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.735 11.227 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.352 8.585 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.818 9.136 2.157 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.702 10.704 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.037 9.326 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.740 8.384 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.420 8.211 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.085 11.209 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -13.513 10.166 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.562 11.646 1.125 1.00 0.00 H new ATOM 1418 N HIS A 110 -11.060 10.522 4.661 1.00 0.00 N ATOM 1419 CA HIS A 110 -11.869 11.057 5.751 1.00 0.00 C ATOM 1420 C HIS A 110 -11.232 12.305 6.365 1.00 0.00 C ATOM 1421 O HIS A 110 -11.830 12.962 7.208 1.00 0.00 O ATOM 1422 CB HIS A 110 -12.073 9.995 6.834 1.00 0.00 C ATOM 1423 CG HIS A 110 -13.217 10.280 7.746 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -14.516 9.902 7.476 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -13.260 10.920 8.945 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -15.306 10.296 8.465 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -14.565 10.911 9.364 1.00 0.00 N ATOM 0 H HIS A 110 -10.539 9.677 4.896 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.835 11.339 5.333 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -12.233 9.028 6.357 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -11.161 9.912 7.425 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.422 11.355 9.470 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.373 10.140 8.524 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.908 11.317 10.235 1.00 0.00 H new ATOM 1436 N GLU A 111 -10.009 12.620 5.931 1.00 0.00 N ATOM 1437 CA GLU A 111 -9.301 13.781 6.446 1.00 0.00 C ATOM 1438 C GLU A 111 -10.137 15.053 6.284 1.00 0.00 C ATOM 1439 O GLU A 111 -10.514 15.689 7.260 1.00 0.00 O ATOM 1440 CB GLU A 111 -7.961 13.945 5.734 1.00 0.00 C ATOM 1441 CG GLU A 111 -7.073 12.718 5.819 1.00 0.00 C ATOM 1442 CD GLU A 111 -5.722 12.928 5.162 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -5.644 13.705 4.181 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -4.737 12.314 5.624 1.00 0.00 O ATOM 0 H GLU A 111 -9.496 12.087 5.228 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.123 13.620 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.143 14.179 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.433 14.796 6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.926 12.452 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.577 11.876 5.344 1.00 0.00 H new ATOM 1451 N TYR A 112 -10.409 15.415 5.026 1.00 0.00 N ATOM 1452 CA TYR A 112 -11.196 16.606 4.733 1.00 0.00 C ATOM 1453 C TYR A 112 -11.713 16.575 3.298 1.00 0.00 C ATOM 1454 O TYR A 112 -12.906 16.384 3.063 1.00 0.00 O ATOM 1455 CB TYR A 112 -10.362 17.861 4.973 1.00 0.00 C ATOM 1456 CG TYR A 112 -10.977 18.830 5.961 1.00 0.00 C ATOM 1457 CD1 TYR A 112 -10.757 18.685 7.323 1.00 0.00 C ATOM 1458 CD2 TYR A 112 -11.781 19.876 5.535 1.00 0.00 C ATOM 1459 CE1 TYR A 112 -11.321 19.562 8.233 1.00 0.00 C ATOM 1460 CE2 TYR A 112 -12.342 20.756 6.430 1.00 0.00 C ATOM 1461 CZ TYR A 112 -12.111 20.598 7.779 1.00 0.00 C ATOM 1462 OH TYR A 112 -12.673 21.470 8.680 1.00 0.00 O ATOM 0 H TYR A 112 -10.096 14.901 4.203 1.00 0.00 H new ATOM 0 HA TYR A 112 -12.056 16.623 5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -9.377 17.566 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -10.213 18.373 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -10.136 17.876 7.678 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -11.970 20.002 4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -11.144 19.436 9.291 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -12.961 21.568 6.077 1.00 0.00 H new ATOM 0 HH TYR A 112 -13.199 22.143 8.200 1.00 0.00 H new ATOM 1472 N VAL A 113 -10.804 16.773 2.347 1.00 0.00 N ATOM 1473 CA VAL A 113 -11.150 16.780 0.925 1.00 0.00 C ATOM 1474 C VAL A 113 -12.440 17.559 0.660 1.00 0.00 C ATOM 1475 O VAL A 113 -13.301 17.122 -0.102 1.00 0.00 O ATOM 1476 CB VAL A 113 -11.300 15.342 0.384 1.00 0.00 C ATOM 1477 CG1 VAL A 113 -12.445 14.611 1.066 1.00 0.00 C ATOM 1478 CG2 VAL A 113 -11.493 15.360 -1.127 1.00 0.00 C ATOM 0 H VAL A 113 -9.814 16.932 2.536 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.332 17.277 0.404 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.382 14.800 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.524 13.602 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.256 14.559 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.377 15.147 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.597 14.338 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.391 15.927 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.629 15.828 -1.599 1.00 0.00 H new ATOM 1488 N GLU A 114 -12.571 18.717 1.307 1.00 0.00 N ATOM 1489 CA GLU A 114 -13.755 19.553 1.144 1.00 0.00 C ATOM 1490 C GLU A 114 -13.438 20.777 0.292 1.00 0.00 C ATOM 1491 O GLU A 114 -13.958 21.870 0.550 1.00 0.00 O ATOM 1492 CB GLU A 114 -14.290 19.986 2.507 1.00 0.00 C ATOM 1493 CG GLU A 114 -15.751 20.405 2.480 1.00 0.00 C ATOM 1494 CD GLU A 114 -16.506 19.977 3.726 1.00 0.00 C ATOM 1495 OE1 GLU A 114 -16.755 18.756 3.875 1.00 0.00 O ATOM 1496 OE2 GLU A 114 -16.846 20.849 4.545 1.00 0.00 O ATOM 0 H GLU A 114 -11.872 19.095 1.947 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.520 18.967 0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -14.169 19.165 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.689 20.816 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.812 21.488 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.232 19.974 1.602 1.00 0.00 H new TER 1503 GLU A 114