USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 873 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 87 GLN : amide:sc= -0.0371 X(o=-0.086,f=-0.049) USER MOD Set 1.2: A 89 TYR OH : rot 30:sc= -0.0487 USER MOD Set 2.1: A 31 SER OG : rot 180:sc= -0.024 USER MOD Set 2.2: A 33 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.4!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.124 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -159:sc= -0.0123 (180deg=-0.28) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.8!) USER MOD Single : A 11 THR OG1 : rot -70:sc= -3.94! USER MOD Single : A 16 GLN : amide:sc= -6.99! K(o=-7!,f=-2.3) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -14:sc= -3.07 USER MOD Single : A 36 MET CE :methyl 172:sc= -0.134 (180deg=-0.248) USER MOD Single : A 40 CYS SG : rot -57:sc= 0.555 USER MOD Single : A 41 LYS NZ :NH3+ -105:sc= 0.813 (180deg=-1.72!) USER MOD Single : A 42 MET CE :methyl 174:sc= -2.87! (180deg=-2.94) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0139 USER MOD Single : A 46 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.25) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= -0.115 (180deg=-0.649) USER MOD Single : A 50 MET CE :methyl -146:sc= -0.426 (180deg=-1.94!) USER MOD Single : A 51 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.23) USER MOD Single : A 53 ASN : amide:sc= -0.78 K(o=-0.78,f=0.022) USER MOD Single : A 54 SER OG : rot -75:sc= 0.462 USER MOD Single : A 56 SER OG : rot 96:sc= 0.737 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -138:sc= 0.633 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.108 K(o=-0.11,f=-3.1!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 26:sc= -2.79! USER MOD Single : A 79 TYR OH : rot 180:sc= -1.66! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.1!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.547! USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.296 K(o=-0.3,f=-4.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 153:sc= -0.456! (180deg=-1.36!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -8.17! C(o=-8.2!,f=-16!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.686 -12.906 1.274 1.00 0.00 N ATOM 2 CA GLY A 1 21.832 -12.202 0.333 1.00 0.00 C ATOM 3 C GLY A 1 21.718 -10.721 0.698 1.00 0.00 C ATOM 4 O GLY A 1 22.209 -10.295 1.743 1.00 0.00 O ATOM 0 H1 GLY A 1 23.560 -13.203 0.795 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.923 -12.276 2.066 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.187 -13.744 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.235 -12.302 -0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.841 -12.656 0.326 1.00 0.00 H new ATOM 8 N SER A 2 21.068 -9.975 -0.183 1.00 0.00 N ATOM 9 CA SER A 2 20.883 -8.550 0.033 1.00 0.00 C ATOM 10 C SER A 2 19.613 -8.305 0.850 1.00 0.00 C ATOM 11 O SER A 2 18.506 -8.370 0.317 1.00 0.00 O ATOM 12 CB SER A 2 20.813 -7.796 -1.296 1.00 0.00 C ATOM 13 OG SER A 2 20.265 -6.490 -1.141 1.00 0.00 O ATOM 0 H SER A 2 20.663 -10.331 -1.049 1.00 0.00 H new ATOM 0 HA SER A 2 21.742 -8.174 0.588 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.813 -7.721 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.206 -8.362 -2.002 1.00 0.00 H new ATOM 0 HG SER A 2 20.239 -6.041 -2.012 1.00 0.00 H new ATOM 19 N GLU A 3 19.815 -8.028 2.130 1.00 0.00 N ATOM 20 CA GLU A 3 18.700 -7.772 3.025 1.00 0.00 C ATOM 21 C GLU A 3 19.201 -7.167 4.338 1.00 0.00 C ATOM 22 O GLU A 3 20.380 -7.285 4.670 1.00 0.00 O ATOM 23 CB GLU A 3 17.899 -9.050 3.281 1.00 0.00 C ATOM 24 CG GLU A 3 18.734 -10.077 4.049 1.00 0.00 C ATOM 25 CD GLU A 3 18.320 -10.130 5.521 1.00 0.00 C ATOM 26 OE1 GLU A 3 17.100 -10.023 5.772 1.00 0.00 O ATOM 27 OE2 GLU A 3 19.233 -10.278 6.362 1.00 0.00 O ATOM 0 H GLU A 3 20.735 -7.975 2.568 1.00 0.00 H new ATOM 0 HA GLU A 3 18.034 -7.053 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 3 16.999 -8.812 3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.575 -9.476 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.611 -11.061 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 3 19.791 -9.821 3.974 1.00 0.00 H new ATOM 34 N GLY A 4 18.281 -6.532 5.049 1.00 0.00 N ATOM 35 CA GLY A 4 18.615 -5.908 6.318 1.00 0.00 C ATOM 36 C GLY A 4 17.905 -4.562 6.471 1.00 0.00 C ATOM 37 O GLY A 4 16.902 -4.461 7.176 1.00 0.00 O ATOM 0 H GLY A 4 17.304 -6.436 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.331 -6.568 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.693 -5.764 6.384 1.00 0.00 H new ATOM 41 N ALA A 5 18.452 -3.560 5.798 1.00 0.00 N ATOM 42 CA ALA A 5 17.884 -2.224 5.850 1.00 0.00 C ATOM 43 C ALA A 5 16.560 -2.208 5.083 1.00 0.00 C ATOM 44 O ALA A 5 16.449 -2.811 4.017 1.00 0.00 O ATOM 45 CB ALA A 5 18.893 -1.218 5.294 1.00 0.00 C ATOM 0 H ALA A 5 19.283 -3.647 5.213 1.00 0.00 H new ATOM 0 HA ALA A 5 17.672 -1.936 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 5 18.467 -0.216 5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 5 19.804 -1.248 5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 5 19.128 -1.472 4.260 1.00 0.00 H new ATOM 51 N ALA A 6 15.590 -1.510 5.655 1.00 0.00 N ATOM 52 CA ALA A 6 14.278 -1.407 5.038 1.00 0.00 C ATOM 53 C ALA A 6 14.341 -0.409 3.880 1.00 0.00 C ATOM 54 O ALA A 6 15.354 0.262 3.689 1.00 0.00 O ATOM 55 CB ALA A 6 13.247 -1.010 6.096 1.00 0.00 C ATOM 0 H ALA A 6 15.686 -1.010 6.539 1.00 0.00 H new ATOM 0 HA ALA A 6 13.970 -2.368 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.263 -0.933 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.221 -1.766 6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.521 -0.048 6.528 1.00 0.00 H new ATOM 61 N THR A 7 13.245 -0.343 3.138 1.00 0.00 N ATOM 62 CA THR A 7 13.163 0.562 2.005 1.00 0.00 C ATOM 63 C THR A 7 12.756 1.962 2.468 1.00 0.00 C ATOM 64 O THR A 7 12.054 2.110 3.468 1.00 0.00 O ATOM 65 CB THR A 7 12.198 -0.044 0.984 1.00 0.00 C ATOM 66 OG1 THR A 7 12.968 -1.052 0.334 1.00 0.00 O ATOM 67 CG2 THR A 7 11.841 0.933 -0.137 1.00 0.00 C ATOM 0 H THR A 7 12.407 -0.902 3.300 1.00 0.00 H new ATOM 0 HA THR A 7 14.134 0.682 1.525 1.00 0.00 H new ATOM 0 HB THR A 7 11.287 -0.362 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.418 -1.498 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.154 0.452 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.367 1.817 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.748 1.227 -0.666 1.00 0.00 H new ATOM 75 N MET A 8 13.214 2.955 1.720 1.00 0.00 N ATOM 76 CA MET A 8 12.906 4.338 2.041 1.00 0.00 C ATOM 77 C MET A 8 11.859 4.905 1.080 1.00 0.00 C ATOM 78 O MET A 8 11.921 4.662 -0.124 1.00 0.00 O ATOM 79 CB MET A 8 14.183 5.178 1.959 1.00 0.00 C ATOM 80 CG MET A 8 14.985 5.085 3.258 1.00 0.00 C ATOM 81 SD MET A 8 15.320 6.722 3.887 1.00 0.00 S ATOM 82 CE MET A 8 16.361 7.349 2.580 1.00 0.00 C ATOM 0 H MET A 8 13.796 2.829 0.892 1.00 0.00 H new ATOM 0 HA MET A 8 12.500 4.375 3.052 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.795 4.835 1.124 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.926 6.218 1.760 1.00 0.00 H new ATOM 0 HG2 MET A 8 14.429 4.509 3.998 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.921 4.556 3.080 1.00 0.00 H new ATOM 0 HE1 MET A 8 16.955 8.182 2.956 1.00 0.00 H new ATOM 0 HE2 MET A 8 17.025 6.558 2.233 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.740 7.691 1.752 1.00 0.00 H new ATOM 92 N SER A 9 10.922 5.649 1.649 1.00 0.00 N ATOM 93 CA SER A 9 9.863 6.252 0.858 1.00 0.00 C ATOM 94 C SER A 9 8.945 7.081 1.758 1.00 0.00 C ATOM 95 O SER A 9 8.621 8.224 1.437 1.00 0.00 O ATOM 96 CB SER A 9 9.056 5.186 0.114 1.00 0.00 C ATOM 97 OG SER A 9 8.210 5.755 -0.882 1.00 0.00 O ATOM 0 H SER A 9 10.874 5.848 2.648 1.00 0.00 H new ATOM 0 HA SER A 9 10.321 6.906 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.738 4.475 -0.353 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.451 4.626 0.827 1.00 0.00 H new ATOM 0 HG SER A 9 7.713 5.042 -1.335 1.00 0.00 H new ATOM 103 N HIS A 10 8.551 6.474 2.867 1.00 0.00 N ATOM 104 CA HIS A 10 7.676 7.141 3.816 1.00 0.00 C ATOM 105 C HIS A 10 6.337 7.456 3.146 1.00 0.00 C ATOM 106 O HIS A 10 6.189 8.496 2.505 1.00 0.00 O ATOM 107 CB HIS A 10 8.354 8.383 4.399 1.00 0.00 C ATOM 108 CG HIS A 10 7.399 9.504 4.734 1.00 0.00 C ATOM 109 ND1 HIS A 10 7.052 10.489 3.827 1.00 0.00 N ATOM 110 CD2 HIS A 10 6.722 9.784 5.885 1.00 0.00 C ATOM 111 CE1 HIS A 10 6.204 11.320 4.415 1.00 0.00 C ATOM 112 NE2 HIS A 10 6.002 10.882 5.691 1.00 0.00 N ATOM 0 H HIS A 10 8.822 5.526 3.130 1.00 0.00 H new ATOM 0 HA HIS A 10 7.474 6.479 4.658 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.895 8.099 5.301 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.093 8.750 3.686 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.765 9.210 6.799 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.752 12.191 3.964 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.397 11.325 6.382 1.00 0.00 H new ATOM 120 N THR A 11 5.396 6.540 3.317 1.00 0.00 N ATOM 121 CA THR A 11 4.074 6.707 2.737 1.00 0.00 C ATOM 122 C THR A 11 3.036 6.945 3.835 1.00 0.00 C ATOM 123 O THR A 11 3.132 6.373 4.920 1.00 0.00 O ATOM 124 CB THR A 11 3.777 5.478 1.876 1.00 0.00 C ATOM 125 OG1 THR A 11 4.450 5.744 0.648 1.00 0.00 O ATOM 126 CG2 THR A 11 2.302 5.383 1.480 1.00 0.00 C ATOM 0 H THR A 11 5.522 5.679 3.849 1.00 0.00 H new ATOM 0 HA THR A 11 4.031 7.588 2.097 1.00 0.00 H new ATOM 0 HB THR A 11 4.066 4.577 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.991 6.468 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.146 4.493 0.870 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.688 5.320 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.021 6.268 0.909 1.00 0.00 H new ATOM 134 N ILE A 12 2.066 7.789 3.515 1.00 0.00 N ATOM 135 CA ILE A 12 1.011 8.110 4.461 1.00 0.00 C ATOM 136 C ILE A 12 -0.222 7.258 4.151 1.00 0.00 C ATOM 137 O ILE A 12 -0.753 7.309 3.043 1.00 0.00 O ATOM 138 CB ILE A 12 0.734 9.615 4.465 1.00 0.00 C ATOM 139 CG1 ILE A 12 2.035 10.412 4.569 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.257 9.987 5.571 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.797 11.892 4.265 1.00 0.00 C ATOM 0 H ILE A 12 1.989 8.260 2.614 1.00 0.00 H new ATOM 0 HA ILE A 12 1.322 7.864 5.476 1.00 0.00 H new ATOM 0 HB ILE A 12 0.270 9.880 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.452 10.305 5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.770 10.008 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.437 11.062 5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.197 9.459 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.156 9.705 6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.738 12.436 4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.403 11.997 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.080 12.299 4.978 1.00 0.00 H new ATOM 153 N LEU A 13 -0.641 6.495 5.150 1.00 0.00 N ATOM 154 CA LEU A 13 -1.801 5.634 4.998 1.00 0.00 C ATOM 155 C LEU A 13 -2.868 6.038 6.018 1.00 0.00 C ATOM 156 O LEU A 13 -2.597 6.095 7.216 1.00 0.00 O ATOM 157 CB LEU A 13 -1.391 4.163 5.087 1.00 0.00 C ATOM 158 CG LEU A 13 -2.403 3.150 4.546 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.296 2.614 5.667 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.220 3.751 3.400 1.00 0.00 C ATOM 0 H LEU A 13 -0.198 6.455 6.068 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.242 5.759 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.454 4.034 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.191 3.925 6.132 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.853 2.301 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.006 1.896 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.679 2.123 6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.840 3.440 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.932 3.011 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.760 4.627 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.551 4.043 2.591 1.00 0.00 H new ATOM 172 N LEU A 14 -4.059 6.308 5.505 1.00 0.00 N ATOM 173 CA LEU A 14 -5.168 6.705 6.355 1.00 0.00 C ATOM 174 C LEU A 14 -6.372 5.804 6.071 1.00 0.00 C ATOM 175 O LEU A 14 -6.249 4.802 5.368 1.00 0.00 O ATOM 176 CB LEU A 14 -5.464 8.197 6.189 1.00 0.00 C ATOM 177 CG LEU A 14 -4.667 8.921 5.102 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.169 8.899 5.412 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.975 8.343 3.720 1.00 0.00 C ATOM 0 H LEU A 14 -4.280 6.260 4.510 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.909 6.570 7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.526 8.315 5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.276 8.693 7.141 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.977 9.966 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.627 9.420 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.988 9.394 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.824 7.867 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.396 8.875 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.711 7.286 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.038 8.456 3.507 1.00 0.00 H new ATOM 191 N VAL A 15 -7.508 6.194 6.630 1.00 0.00 N ATOM 192 CA VAL A 15 -8.732 5.435 6.445 1.00 0.00 C ATOM 193 C VAL A 15 -9.935 6.341 6.714 1.00 0.00 C ATOM 194 O VAL A 15 -10.044 6.932 7.787 1.00 0.00 O ATOM 195 CB VAL A 15 -8.714 4.187 7.331 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.121 3.842 7.822 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.083 3.003 6.597 1.00 0.00 C ATOM 0 H VAL A 15 -7.606 7.026 7.211 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.812 5.085 5.416 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.100 4.405 8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.079 2.951 8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.519 4.675 8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.769 3.653 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.083 2.129 7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.658 2.784 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.058 3.250 6.321 1.00 0.00 H new ATOM 207 N GLN A 16 -10.808 6.423 5.720 1.00 0.00 N ATOM 208 CA GLN A 16 -11.999 7.247 5.836 1.00 0.00 C ATOM 209 C GLN A 16 -13.248 6.423 5.518 1.00 0.00 C ATOM 210 O GLN A 16 -13.702 6.393 4.376 1.00 0.00 O ATOM 211 CB GLN A 16 -11.906 8.475 4.928 1.00 0.00 C ATOM 212 CG GLN A 16 -12.211 9.757 5.707 1.00 0.00 C ATOM 213 CD GLN A 16 -13.608 10.283 5.371 1.00 0.00 C ATOM 214 OE1 GLN A 16 -13.791 11.422 4.973 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.579 9.393 5.552 1.00 0.00 N ATOM 0 H GLN A 16 -10.714 5.932 4.831 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.074 7.601 6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.908 8.537 4.495 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.607 8.373 4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.139 9.562 6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.466 10.517 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.356 8.456 5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.547 9.647 5.355 1.00 0.00 H new ATOM 224 N PRO A 17 -13.782 5.757 6.577 1.00 0.00 N ATOM 225 CA PRO A 17 -14.970 4.935 6.422 1.00 0.00 C ATOM 226 C PRO A 17 -16.224 5.802 6.290 1.00 0.00 C ATOM 227 O PRO A 17 -17.133 5.475 5.529 1.00 0.00 O ATOM 228 CB PRO A 17 -14.993 4.041 7.650 1.00 0.00 C ATOM 229 CG PRO A 17 -14.085 4.710 8.670 1.00 0.00 C ATOM 230 CD PRO A 17 -13.272 5.770 7.945 1.00 0.00 C ATOM 0 HA PRO A 17 -14.951 4.337 5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.006 3.937 8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.639 3.039 7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.675 5.161 9.468 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.427 3.976 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.399 6.750 8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.207 5.540 7.973 1.00 0.00 H new ATOM 238 N THR A 18 -16.233 6.892 7.044 1.00 0.00 N ATOM 239 CA THR A 18 -17.360 7.809 7.021 1.00 0.00 C ATOM 240 C THR A 18 -16.882 9.246 7.235 1.00 0.00 C ATOM 241 O THR A 18 -15.776 9.471 7.725 1.00 0.00 O ATOM 242 CB THR A 18 -18.370 7.342 8.071 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.787 7.730 9.312 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.458 5.817 8.161 1.00 0.00 C ATOM 0 H THR A 18 -15.478 7.161 7.675 1.00 0.00 H new ATOM 0 HA THR A 18 -17.854 7.805 6.049 1.00 0.00 H new ATOM 0 HB THR A 18 -19.353 7.749 7.835 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.378 7.466 10.048 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.189 5.539 8.921 1.00 0.00 H new ATOM 0 HG22 THR A 18 -18.765 5.413 7.197 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.483 5.412 8.430 1.00 0.00 H new ATOM 252 N LYS A 19 -17.740 10.183 6.857 1.00 0.00 N ATOM 253 CA LYS A 19 -17.419 11.593 7.002 1.00 0.00 C ATOM 254 C LYS A 19 -17.190 11.911 8.480 1.00 0.00 C ATOM 255 O LYS A 19 -16.387 12.781 8.815 1.00 0.00 O ATOM 256 CB LYS A 19 -18.499 12.458 6.347 1.00 0.00 C ATOM 257 CG LYS A 19 -18.270 12.572 4.839 1.00 0.00 C ATOM 258 CD LYS A 19 -19.166 11.596 4.073 1.00 0.00 C ATOM 259 CE LYS A 19 -18.331 10.525 3.367 1.00 0.00 C ATOM 260 NZ LYS A 19 -19.207 9.473 2.804 1.00 0.00 N ATOM 0 H LYS A 19 -18.656 9.993 6.451 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.492 11.828 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.481 12.026 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.496 13.452 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.474 13.592 4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.224 12.368 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.866 11.122 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.760 12.141 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.742 10.981 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.627 10.082 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.625 8.754 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.750 9.027 3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.862 9.898 2.117 1.00 0.00 H new ATOM 274 N ARG A 20 -17.909 11.188 9.327 1.00 0.00 N ATOM 275 CA ARG A 20 -17.794 11.382 10.762 1.00 0.00 C ATOM 276 C ARG A 20 -16.361 11.107 11.222 1.00 0.00 C ATOM 277 O ARG A 20 -15.649 10.315 10.606 1.00 0.00 O ATOM 278 CB ARG A 20 -18.751 10.461 11.521 1.00 0.00 C ATOM 279 CG ARG A 20 -20.181 11.003 11.480 1.00 0.00 C ATOM 280 CD ARG A 20 -20.454 11.924 12.671 1.00 0.00 C ATOM 281 NE ARG A 20 -21.569 11.386 13.482 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.176 12.062 14.467 1.00 0.00 C ATOM 283 NH1 ARG A 20 -21.779 13.305 14.769 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.180 11.494 15.149 1.00 0.00 N ATOM 0 H ARG A 20 -18.573 10.467 9.046 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.056 12.418 10.978 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.724 9.463 11.084 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.424 10.365 12.556 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.340 11.549 10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.888 10.174 11.488 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.558 12.014 13.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -20.700 12.925 12.318 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.896 10.441 13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.015 13.737 14.249 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.241 13.820 15.519 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.482 10.547 14.918 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.642 12.008 15.899 1.00 0.00 H new ATOM 298 N PRO A 21 -15.970 11.794 12.329 1.00 0.00 N ATOM 299 CA PRO A 21 -14.635 11.631 12.878 1.00 0.00 C ATOM 300 C PRO A 21 -14.504 10.297 13.616 1.00 0.00 C ATOM 301 O PRO A 21 -13.407 9.909 14.015 1.00 0.00 O ATOM 302 CB PRO A 21 -14.433 12.834 13.784 1.00 0.00 C ATOM 303 CG PRO A 21 -15.823 13.377 14.072 1.00 0.00 C ATOM 304 CD PRO A 21 -16.786 12.739 13.084 1.00 0.00 C ATOM 0 HA PRO A 21 -13.865 11.596 12.108 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.927 12.548 14.706 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.812 13.588 13.300 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.118 13.147 15.096 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.837 14.462 13.972 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.604 12.234 13.598 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -17.234 13.486 12.429 1.00 0.00 H new ATOM 312 N GLU A 22 -15.639 9.633 13.777 1.00 0.00 N ATOM 313 CA GLU A 22 -15.666 8.351 14.461 1.00 0.00 C ATOM 314 C GLU A 22 -15.099 7.255 13.556 1.00 0.00 C ATOM 315 O GLU A 22 -15.849 6.564 12.868 1.00 0.00 O ATOM 316 CB GLU A 22 -17.083 8.004 14.921 1.00 0.00 C ATOM 317 CG GLU A 22 -17.243 8.234 16.425 1.00 0.00 C ATOM 318 CD GLU A 22 -17.478 6.912 17.159 1.00 0.00 C ATOM 319 OE1 GLU A 22 -16.530 6.097 17.178 1.00 0.00 O ATOM 320 OE2 GLU A 22 -18.600 6.746 17.685 1.00 0.00 O ATOM 0 H GLU A 22 -16.547 9.959 13.446 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.039 8.422 15.350 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.805 8.613 14.377 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.302 6.963 14.683 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.350 8.720 16.819 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.080 8.909 16.607 1.00 0.00 H new ATOM 327 N GLY A 23 -13.780 7.130 13.587 1.00 0.00 N ATOM 328 CA GLY A 23 -13.105 6.130 12.778 1.00 0.00 C ATOM 329 C GLY A 23 -12.147 6.786 11.781 1.00 0.00 C ATOM 330 O GLY A 23 -12.041 6.348 10.636 1.00 0.00 O ATOM 0 H GLY A 23 -13.161 7.704 14.159 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.552 5.448 13.424 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.842 5.534 12.241 1.00 0.00 H new ATOM 334 N ARG A 24 -11.475 7.826 12.252 1.00 0.00 N ATOM 335 CA ARG A 24 -10.529 8.547 11.417 1.00 0.00 C ATOM 336 C ARG A 24 -9.140 8.538 12.058 1.00 0.00 C ATOM 337 O ARG A 24 -8.996 8.844 13.240 1.00 0.00 O ATOM 338 CB ARG A 24 -10.976 9.995 11.203 1.00 0.00 C ATOM 339 CG ARG A 24 -11.082 10.738 12.536 1.00 0.00 C ATOM 340 CD ARG A 24 -10.117 11.924 12.581 1.00 0.00 C ATOM 341 NE ARG A 24 -10.876 13.195 12.586 1.00 0.00 N ATOM 342 CZ ARG A 24 -11.322 13.807 11.481 1.00 0.00 C ATOM 343 NH1 ARG A 24 -11.087 13.270 10.276 1.00 0.00 N ATOM 344 NH2 ARG A 24 -12.002 14.958 11.580 1.00 0.00 N ATOM 0 H ARG A 24 -11.567 8.187 13.202 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.489 8.044 10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.266 10.506 10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.941 10.011 10.696 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.103 11.090 12.680 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.862 10.054 13.356 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.492 11.861 13.472 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.449 11.893 11.720 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.071 13.632 13.487 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.568 12.395 10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.427 13.736 9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.180 15.368 12.497 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.341 15.424 10.738 1.00 0.00 H new ATOM 358 N THR A 25 -8.153 8.184 11.248 1.00 0.00 N ATOM 359 CA THR A 25 -6.780 8.132 11.722 1.00 0.00 C ATOM 360 C THR A 25 -5.824 7.862 10.558 1.00 0.00 C ATOM 361 O THR A 25 -6.214 7.265 9.555 1.00 0.00 O ATOM 362 CB THR A 25 -6.701 7.079 12.829 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.325 7.064 13.197 1.00 0.00 O ATOM 364 CG2 THR A 25 -6.963 5.663 12.310 1.00 0.00 C ATOM 0 H THR A 25 -8.276 7.931 10.268 1.00 0.00 H new ATOM 0 HA THR A 25 -6.470 9.089 12.141 1.00 0.00 H new ATOM 0 HB THR A 25 -7.423 7.319 13.610 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.185 6.409 13.912 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.895 4.955 13.136 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.960 5.615 11.872 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.221 5.410 11.553 1.00 0.00 H new ATOM 372 N TYR A 26 -4.591 8.315 10.729 1.00 0.00 N ATOM 373 CA TYR A 26 -3.577 8.130 9.705 1.00 0.00 C ATOM 374 C TYR A 26 -2.439 7.243 10.214 1.00 0.00 C ATOM 375 O TYR A 26 -2.425 6.855 11.381 1.00 0.00 O ATOM 376 CB TYR A 26 -3.024 9.524 9.403 1.00 0.00 C ATOM 377 CG TYR A 26 -3.971 10.406 8.587 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.241 10.672 9.055 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.554 10.936 7.382 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.133 11.502 8.287 1.00 0.00 C ATOM 381 CE2 TYR A 26 -4.446 11.766 6.614 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.691 12.008 7.105 1.00 0.00 C ATOM 383 OH TYR A 26 -6.533 12.792 6.379 1.00 0.00 O ATOM 0 H TYR A 26 -4.271 8.810 11.562 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.004 7.649 8.825 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.797 10.025 10.344 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.083 9.421 8.862 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.567 10.258 9.998 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.560 10.728 7.016 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.130 11.717 8.642 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.133 12.187 5.670 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.083 13.084 5.559 1.00 0.00 H new ATOM 393 N ALA A 27 -1.514 6.947 9.313 1.00 0.00 N ATOM 394 CA ALA A 27 -0.375 6.112 9.656 1.00 0.00 C ATOM 395 C ALA A 27 0.806 6.472 8.753 1.00 0.00 C ATOM 396 O ALA A 27 0.655 7.239 7.803 1.00 0.00 O ATOM 397 CB ALA A 27 -0.769 4.638 9.542 1.00 0.00 C ATOM 0 H ALA A 27 -1.530 7.270 8.346 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.067 6.288 10.687 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.085 4.012 9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.592 4.427 10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.082 4.423 8.520 1.00 0.00 H new ATOM 403 N ASP A 28 1.956 5.900 9.080 1.00 0.00 N ATOM 404 CA ASP A 28 3.162 6.151 8.310 1.00 0.00 C ATOM 405 C ASP A 28 4.089 4.938 8.414 1.00 0.00 C ATOM 406 O ASP A 28 4.318 4.419 9.505 1.00 0.00 O ATOM 407 CB ASP A 28 3.915 7.369 8.847 1.00 0.00 C ATOM 408 CG ASP A 28 5.306 7.586 8.248 1.00 0.00 C ATOM 409 OD1 ASP A 28 5.567 6.980 7.186 1.00 0.00 O ATOM 410 OD2 ASP A 28 6.077 8.352 8.865 1.00 0.00 O ATOM 0 H ASP A 28 2.078 5.264 9.868 1.00 0.00 H new ATOM 0 HA ASP A 28 2.870 6.335 7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.314 8.259 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.013 7.269 9.928 1.00 0.00 H new ATOM 415 N TYR A 29 4.599 4.523 7.264 1.00 0.00 N ATOM 416 CA TYR A 29 5.496 3.381 7.212 1.00 0.00 C ATOM 417 C TYR A 29 6.808 3.746 6.514 1.00 0.00 C ATOM 418 O TYR A 29 6.995 4.887 6.094 1.00 0.00 O ATOM 419 CB TYR A 29 4.774 2.314 6.387 1.00 0.00 C ATOM 420 CG TYR A 29 3.500 1.777 7.043 1.00 0.00 C ATOM 421 CD1 TYR A 29 2.352 2.544 7.050 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.499 0.527 7.629 1.00 0.00 C ATOM 423 CE1 TYR A 29 1.153 2.039 7.667 1.00 0.00 C ATOM 424 CE2 TYR A 29 2.300 0.023 8.246 1.00 0.00 C ATOM 425 CZ TYR A 29 1.186 0.803 8.235 1.00 0.00 C ATOM 426 OH TYR A 29 0.054 0.327 8.818 1.00 0.00 O ATOM 0 H TYR A 29 4.408 4.957 6.361 1.00 0.00 H new ATOM 0 HA TYR A 29 5.739 3.038 8.218 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.520 2.732 5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.457 1.483 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.353 3.522 6.593 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.397 -0.072 7.625 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.248 2.628 7.679 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.285 -0.953 8.708 1.00 0.00 H new ATOM 0 HH TYR A 29 0.224 -0.567 9.181 1.00 0.00 H new ATOM 436 N GLU A 30 7.682 2.756 6.411 1.00 0.00 N ATOM 437 CA GLU A 30 8.971 2.959 5.772 1.00 0.00 C ATOM 438 C GLU A 30 8.864 2.696 4.268 1.00 0.00 C ATOM 439 O GLU A 30 9.704 3.153 3.493 1.00 0.00 O ATOM 440 CB GLU A 30 10.044 2.074 6.408 1.00 0.00 C ATOM 441 CG GLU A 30 10.416 2.580 7.803 1.00 0.00 C ATOM 442 CD GLU A 30 11.655 1.858 8.336 1.00 0.00 C ATOM 443 OE1 GLU A 30 11.633 0.608 8.327 1.00 0.00 O ATOM 444 OE2 GLU A 30 12.598 2.573 8.741 1.00 0.00 O ATOM 0 H GLU A 30 7.523 1.811 6.759 1.00 0.00 H new ATOM 0 HA GLU A 30 9.269 3.997 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.682 1.048 6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.931 2.059 5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.604 3.653 7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.580 2.426 8.485 1.00 0.00 H new ATOM 451 N SER A 31 7.825 1.961 3.901 1.00 0.00 N ATOM 452 CA SER A 31 7.598 1.632 2.504 1.00 0.00 C ATOM 453 C SER A 31 6.129 1.863 2.144 1.00 0.00 C ATOM 454 O SER A 31 5.337 2.275 2.989 1.00 0.00 O ATOM 455 CB SER A 31 7.995 0.184 2.207 1.00 0.00 C ATOM 456 OG SER A 31 8.846 0.087 1.068 1.00 0.00 O ATOM 0 H SER A 31 7.131 1.584 4.546 1.00 0.00 H new ATOM 0 HA SER A 31 8.223 2.284 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.501 -0.238 3.075 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.097 -0.411 2.041 1.00 0.00 H new ATOM 0 HG SER A 31 9.078 -0.852 0.912 1.00 0.00 H new ATOM 462 N VAL A 32 5.811 1.589 0.887 1.00 0.00 N ATOM 463 CA VAL A 32 4.451 1.763 0.405 1.00 0.00 C ATOM 464 C VAL A 32 3.685 0.449 0.569 1.00 0.00 C ATOM 465 O VAL A 32 2.555 0.442 1.055 1.00 0.00 O ATOM 466 CB VAL A 32 4.469 2.268 -1.039 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.195 1.855 -1.780 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.664 3.785 -1.087 1.00 0.00 C ATOM 0 H VAL A 32 6.471 1.248 0.188 1.00 0.00 H new ATOM 0 HA VAL A 32 3.930 2.519 0.993 1.00 0.00 H new ATOM 0 HB VAL A 32 5.316 1.805 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.233 2.226 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.117 0.768 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.327 2.276 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.673 4.118 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.847 4.274 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.611 4.045 -0.614 1.00 0.00 H new ATOM 478 N ASN A 33 4.330 -0.632 0.155 1.00 0.00 N ATOM 479 CA ASN A 33 3.723 -1.949 0.250 1.00 0.00 C ATOM 480 C ASN A 33 3.223 -2.173 1.679 1.00 0.00 C ATOM 481 O ASN A 33 2.192 -2.810 1.886 1.00 0.00 O ATOM 482 CB ASN A 33 4.738 -3.047 -0.073 1.00 0.00 C ATOM 483 CG ASN A 33 5.755 -3.205 1.059 1.00 0.00 C ATOM 484 OD1 ASN A 33 6.721 -2.469 1.167 1.00 0.00 O ATOM 485 ND2 ASN A 33 5.484 -4.205 1.893 1.00 0.00 N ATOM 0 H ASN A 33 5.267 -0.623 -0.247 1.00 0.00 H new ATOM 0 HA ASN A 33 2.902 -1.995 -0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.218 -3.991 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.256 -2.806 -1.001 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.103 -4.394 2.681 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.657 -4.783 1.744 1.00 0.00 H new ATOM 492 N GLU A 34 3.978 -1.636 2.627 1.00 0.00 N ATOM 493 CA GLU A 34 3.624 -1.770 4.030 1.00 0.00 C ATOM 494 C GLU A 34 2.315 -1.032 4.319 1.00 0.00 C ATOM 495 O GLU A 34 1.495 -1.502 5.106 1.00 0.00 O ATOM 496 CB GLU A 34 4.751 -1.261 4.930 1.00 0.00 C ATOM 497 CG GLU A 34 6.079 -1.935 4.580 1.00 0.00 C ATOM 498 CD GLU A 34 6.222 -3.275 5.305 1.00 0.00 C ATOM 499 OE1 GLU A 34 6.621 -3.239 6.489 1.00 0.00 O ATOM 500 OE2 GLU A 34 5.931 -4.304 4.658 1.00 0.00 O ATOM 0 H GLU A 34 4.833 -1.108 2.451 1.00 0.00 H new ATOM 0 HA GLU A 34 3.478 -2.828 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.848 -0.181 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.504 -1.456 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.138 -2.092 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.906 -1.280 4.853 1.00 0.00 H new ATOM 507 N CYS A 35 2.160 0.111 3.668 1.00 0.00 N ATOM 508 CA CYS A 35 0.965 0.918 3.846 1.00 0.00 C ATOM 509 C CYS A 35 -0.240 0.102 3.375 1.00 0.00 C ATOM 510 O CYS A 35 -1.269 0.062 4.048 1.00 0.00 O ATOM 511 CB CYS A 35 1.072 2.256 3.111 1.00 0.00 C ATOM 512 SG CYS A 35 2.336 3.310 3.911 1.00 0.00 S ATOM 0 H CYS A 35 2.842 0.498 3.016 1.00 0.00 H new ATOM 0 HA CYS A 35 0.844 1.166 4.900 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.336 2.087 2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.107 2.762 3.118 1.00 0.00 H new ATOM 0 HG CYS A 35 2.642 2.814 5.073 1.00 0.00 H new ATOM 518 N MET A 36 -0.073 -0.528 2.221 1.00 0.00 N ATOM 519 CA MET A 36 -1.134 -1.341 1.652 1.00 0.00 C ATOM 520 C MET A 36 -1.598 -2.410 2.643 1.00 0.00 C ATOM 521 O MET A 36 -2.789 -2.520 2.932 1.00 0.00 O ATOM 522 CB MET A 36 -0.632 -2.014 0.373 1.00 0.00 C ATOM 523 CG MET A 36 -0.127 -0.975 -0.630 1.00 0.00 C ATOM 524 SD MET A 36 -1.383 0.261 -0.915 1.00 0.00 S ATOM 525 CE MET A 36 -0.352 1.665 -1.307 1.00 0.00 C ATOM 0 H MET A 36 0.781 -0.492 1.665 1.00 0.00 H new ATOM 0 HA MET A 36 -1.980 -0.692 1.424 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.170 -2.711 0.615 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.436 -2.597 -0.075 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.780 -0.503 -0.252 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.135 -1.462 -1.569 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.976 2.490 -1.651 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.198 1.972 -0.417 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.352 1.391 -2.092 1.00 0.00 H new ATOM 535 N GLU A 37 -0.633 -3.172 3.137 1.00 0.00 N ATOM 536 CA GLU A 37 -0.927 -4.229 4.090 1.00 0.00 C ATOM 537 C GLU A 37 -2.017 -3.777 5.064 1.00 0.00 C ATOM 538 O GLU A 37 -3.020 -4.467 5.243 1.00 0.00 O ATOM 539 CB GLU A 37 0.335 -4.658 4.840 1.00 0.00 C ATOM 540 CG GLU A 37 0.397 -6.179 4.985 1.00 0.00 C ATOM 541 CD GLU A 37 1.385 -6.587 6.080 1.00 0.00 C ATOM 542 OE1 GLU A 37 1.050 -6.353 7.262 1.00 0.00 O ATOM 543 OE2 GLU A 37 2.452 -7.122 5.711 1.00 0.00 O ATOM 0 H GLU A 37 0.353 -3.078 2.895 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.295 -5.095 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.217 -4.304 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.351 -4.194 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.594 -6.566 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.695 -6.626 4.037 1.00 0.00 H new ATOM 550 N GLY A 38 -1.784 -2.621 5.668 1.00 0.00 N ATOM 551 CA GLY A 38 -2.734 -2.069 6.619 1.00 0.00 C ATOM 552 C GLY A 38 -4.148 -2.053 6.036 1.00 0.00 C ATOM 553 O GLY A 38 -5.112 -2.381 6.726 1.00 0.00 O ATOM 0 H GLY A 38 -0.951 -2.051 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.721 -2.659 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.437 -1.056 6.889 1.00 0.00 H new ATOM 557 N VAL A 39 -4.228 -1.670 4.770 1.00 0.00 N ATOM 558 CA VAL A 39 -5.508 -1.607 4.086 1.00 0.00 C ATOM 559 C VAL A 39 -6.153 -2.995 4.093 1.00 0.00 C ATOM 560 O VAL A 39 -7.376 -3.115 4.042 1.00 0.00 O ATOM 561 CB VAL A 39 -5.322 -1.041 2.677 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.630 -1.100 1.885 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.775 0.387 2.727 1.00 0.00 C ATOM 0 H VAL A 39 -3.426 -1.400 4.200 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.186 -0.930 4.606 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.590 -1.662 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.470 -0.692 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.960 -2.136 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.393 -0.515 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.652 0.765 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.472 1.025 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.810 0.390 3.234 1.00 0.00 H new ATOM 573 N CYS A 40 -5.302 -4.008 4.156 1.00 0.00 N ATOM 574 CA CYS A 40 -5.773 -5.382 4.170 1.00 0.00 C ATOM 575 C CYS A 40 -5.981 -5.804 5.625 1.00 0.00 C ATOM 576 O CYS A 40 -6.709 -6.756 5.902 1.00 0.00 O ATOM 577 CB CYS A 40 -4.810 -6.318 3.436 1.00 0.00 C ATOM 578 SG CYS A 40 -3.659 -7.092 4.630 1.00 0.00 S ATOM 0 H CYS A 40 -4.288 -3.905 4.198 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.720 -5.450 3.635 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.371 -7.089 2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.249 -5.761 2.686 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.014 -6.165 5.275 1.00 0.00 H new ATOM 584 N LYS A 41 -5.329 -5.074 6.519 1.00 0.00 N ATOM 585 CA LYS A 41 -5.434 -5.361 7.939 1.00 0.00 C ATOM 586 C LYS A 41 -6.874 -5.124 8.398 1.00 0.00 C ATOM 587 O LYS A 41 -7.591 -6.071 8.717 1.00 0.00 O ATOM 588 CB LYS A 41 -4.398 -4.555 8.726 1.00 0.00 C ATOM 589 CG LYS A 41 -2.980 -5.050 8.432 1.00 0.00 C ATOM 590 CD LYS A 41 -1.942 -4.232 9.202 1.00 0.00 C ATOM 591 CE LYS A 41 -0.630 -4.136 8.422 1.00 0.00 C ATOM 592 NZ LYS A 41 0.457 -4.828 9.150 1.00 0.00 N ATOM 0 H LYS A 41 -4.726 -4.285 6.287 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.205 -6.409 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.480 -3.499 8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.602 -4.638 9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.894 -6.102 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.782 -4.981 7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.330 -3.231 9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.759 -4.692 10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.754 -4.580 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.366 -3.089 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.085 -4.124 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.048 -5.435 9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.003 -5.412 8.485 1.00 0.00 H new ATOM 606 N MET A 42 -7.254 -3.855 8.417 1.00 0.00 N ATOM 607 CA MET A 42 -8.596 -3.482 8.832 1.00 0.00 C ATOM 608 C MET A 42 -9.620 -4.524 8.378 1.00 0.00 C ATOM 609 O MET A 42 -10.609 -4.769 9.066 1.00 0.00 O ATOM 610 CB MET A 42 -8.955 -2.119 8.236 1.00 0.00 C ATOM 611 CG MET A 42 -9.121 -2.212 6.717 1.00 0.00 C ATOM 612 SD MET A 42 -9.814 -0.694 6.085 1.00 0.00 S ATOM 613 CE MET A 42 -8.395 -0.042 5.221 1.00 0.00 C ATOM 0 H MET A 42 -6.656 -3.072 8.152 1.00 0.00 H new ATOM 0 HA MET A 42 -8.618 -3.429 9.921 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.879 -1.754 8.685 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.176 -1.396 8.477 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.156 -2.404 6.248 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.770 -3.051 6.464 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.683 0.857 4.675 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.613 0.204 5.939 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.021 -0.788 4.520 1.00 0.00 H new ATOM 623 N TYR A 43 -9.347 -5.110 7.221 1.00 0.00 N ATOM 624 CA TYR A 43 -10.232 -6.120 6.667 1.00 0.00 C ATOM 625 C TYR A 43 -10.033 -7.467 7.366 1.00 0.00 C ATOM 626 O TYR A 43 -10.959 -7.992 7.983 1.00 0.00 O ATOM 627 CB TYR A 43 -9.841 -6.261 5.194 1.00 0.00 C ATOM 628 CG TYR A 43 -10.546 -7.410 4.470 1.00 0.00 C ATOM 629 CD1 TYR A 43 -11.909 -7.359 4.259 1.00 0.00 C ATOM 630 CD2 TYR A 43 -9.819 -8.497 4.028 1.00 0.00 C ATOM 631 CE1 TYR A 43 -12.573 -8.440 3.578 1.00 0.00 C ATOM 632 CE2 TYR A 43 -10.483 -9.578 3.347 1.00 0.00 C ATOM 633 CZ TYR A 43 -11.827 -9.496 3.155 1.00 0.00 C ATOM 634 OH TYR A 43 -12.454 -10.517 2.512 1.00 0.00 O ATOM 0 H TYR A 43 -8.526 -4.904 6.652 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.275 -5.830 6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.066 -5.328 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -8.763 -6.410 5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.477 -6.508 4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.752 -8.537 4.193 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.639 -8.413 3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.926 -10.435 2.997 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.797 -11.202 2.267 1.00 0.00 H new ATOM 644 N GLU A 44 -8.821 -7.986 7.246 1.00 0.00 N ATOM 645 CA GLU A 44 -8.489 -9.261 7.859 1.00 0.00 C ATOM 646 C GLU A 44 -9.164 -9.385 9.226 1.00 0.00 C ATOM 647 O GLU A 44 -9.554 -10.478 9.634 1.00 0.00 O ATOM 648 CB GLU A 44 -6.973 -9.435 7.977 1.00 0.00 C ATOM 649 CG GLU A 44 -6.317 -9.481 6.596 1.00 0.00 C ATOM 650 CD GLU A 44 -5.485 -10.754 6.427 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.859 -11.161 7.429 1.00 0.00 O ATOM 652 OE2 GLU A 44 -5.495 -11.291 5.298 1.00 0.00 O ATOM 0 H GLU A 44 -8.056 -7.547 6.733 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.864 -10.059 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.553 -8.612 8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.750 -10.353 8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.084 -9.438 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.681 -8.606 6.462 1.00 0.00 H new ATOM 659 N GLU A 45 -9.281 -8.248 9.897 1.00 0.00 N ATOM 660 CA GLU A 45 -9.903 -8.215 11.210 1.00 0.00 C ATOM 661 C GLU A 45 -11.292 -8.853 11.156 1.00 0.00 C ATOM 662 O GLU A 45 -11.527 -9.891 11.772 1.00 0.00 O ATOM 663 CB GLU A 45 -9.976 -6.784 11.746 1.00 0.00 C ATOM 664 CG GLU A 45 -8.587 -6.145 11.798 1.00 0.00 C ATOM 665 CD GLU A 45 -7.949 -6.331 13.176 1.00 0.00 C ATOM 666 OE1 GLU A 45 -8.151 -7.422 13.752 1.00 0.00 O ATOM 667 OE2 GLU A 45 -7.273 -5.379 13.621 1.00 0.00 O ATOM 0 H GLU A 45 -8.956 -7.343 9.556 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.286 -8.794 11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.631 -6.187 11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.416 -6.788 12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.949 -6.591 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.663 -5.082 11.569 1.00 0.00 H new ATOM 674 N HIS A 46 -12.178 -8.204 10.414 1.00 0.00 N ATOM 675 CA HIS A 46 -13.538 -8.695 10.272 1.00 0.00 C ATOM 676 C HIS A 46 -13.514 -10.196 9.977 1.00 0.00 C ATOM 677 O HIS A 46 -14.478 -10.904 10.264 1.00 0.00 O ATOM 678 CB HIS A 46 -14.296 -7.894 9.211 1.00 0.00 C ATOM 679 CG HIS A 46 -15.380 -8.677 8.509 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.595 -8.971 9.103 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.420 -9.221 7.259 1.00 0.00 C ATOM 682 CE1 HIS A 46 -17.325 -9.663 8.240 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.595 -9.817 7.098 1.00 0.00 N ATOM 0 H HIS A 46 -11.980 -7.342 9.905 1.00 0.00 H new ATOM 0 HA HIS A 46 -14.079 -8.553 11.207 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.742 -7.018 9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.586 -7.530 8.468 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.630 -9.175 6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.323 -10.039 8.411 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.902 -10.309 6.259 1.00 0.00 H new ATOM 691 N LEU A 47 -12.402 -10.637 9.407 1.00 0.00 N ATOM 692 CA LEU A 47 -12.239 -12.041 9.070 1.00 0.00 C ATOM 693 C LEU A 47 -11.746 -12.803 10.302 1.00 0.00 C ATOM 694 O LEU A 47 -12.288 -13.852 10.645 1.00 0.00 O ATOM 695 CB LEU A 47 -11.333 -12.197 7.847 1.00 0.00 C ATOM 696 CG LEU A 47 -12.044 -12.332 6.499 1.00 0.00 C ATOM 697 CD1 LEU A 47 -13.069 -11.213 6.305 1.00 0.00 C ATOM 698 CD2 LEU A 47 -11.035 -12.390 5.350 1.00 0.00 C ATOM 0 H LEU A 47 -11.605 -10.046 9.170 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.196 -12.478 8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.668 -11.335 7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.705 -13.076 7.994 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.591 -13.275 6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.560 -11.333 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.814 -11.260 7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.564 -10.247 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.567 -12.486 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.441 -11.476 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.378 -13.249 5.486 1.00 0.00 H new ATOM 710 N LYS A 48 -10.724 -12.244 10.933 1.00 0.00 N ATOM 711 CA LYS A 48 -10.152 -12.858 12.120 1.00 0.00 C ATOM 712 C LYS A 48 -11.273 -13.464 12.966 1.00 0.00 C ATOM 713 O LYS A 48 -11.304 -14.673 13.188 1.00 0.00 O ATOM 714 CB LYS A 48 -9.283 -11.852 12.878 1.00 0.00 C ATOM 715 CG LYS A 48 -7.984 -12.502 13.359 1.00 0.00 C ATOM 716 CD LYS A 48 -6.764 -11.741 12.835 1.00 0.00 C ATOM 717 CE LYS A 48 -6.377 -12.223 11.435 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.925 -12.050 11.211 1.00 0.00 N ATOM 0 H LYS A 48 -10.277 -11.373 10.645 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.485 -13.674 11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.052 -11.005 12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.835 -11.460 13.732 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.965 -12.522 14.449 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.944 -13.537 13.021 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.981 -10.673 12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.924 -11.879 13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.647 -13.273 11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.936 -11.665 10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.766 -11.637 10.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.535 -11.417 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.452 -12.975 11.267 1.00 0.00 H new ATOM 732 N ARG A 49 -12.166 -12.595 13.417 1.00 0.00 N ATOM 733 CA ARG A 49 -13.286 -13.029 14.234 1.00 0.00 C ATOM 734 C ARG A 49 -13.976 -14.234 13.592 1.00 0.00 C ATOM 735 O ARG A 49 -14.335 -15.188 14.281 1.00 0.00 O ATOM 736 CB ARG A 49 -14.306 -11.903 14.415 1.00 0.00 C ATOM 737 CG ARG A 49 -14.423 -11.061 13.143 1.00 0.00 C ATOM 738 CD ARG A 49 -15.886 -10.904 12.722 1.00 0.00 C ATOM 739 NE ARG A 49 -16.261 -9.473 12.720 1.00 0.00 N ATOM 740 CZ ARG A 49 -16.625 -8.790 13.814 1.00 0.00 C ATOM 741 NH1 ARG A 49 -16.665 -9.404 15.005 1.00 0.00 N ATOM 742 NH2 ARG A 49 -16.949 -7.493 13.718 1.00 0.00 N ATOM 0 H ARG A 49 -12.136 -11.592 13.232 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.894 -13.309 15.212 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.279 -12.325 14.667 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.008 -11.268 15.250 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.982 -10.079 13.311 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.858 -11.531 12.338 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.035 -11.329 11.729 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.531 -11.457 13.405 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.241 -8.975 11.830 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.418 -10.391 15.078 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.942 -8.884 15.838 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.919 -7.025 12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.226 -6.974 14.551 1.00 0.00 H new ATOM 756 N MET A 50 -14.142 -14.152 12.280 1.00 0.00 N ATOM 757 CA MET A 50 -14.782 -15.224 11.538 1.00 0.00 C ATOM 758 C MET A 50 -13.866 -16.444 11.436 1.00 0.00 C ATOM 759 O MET A 50 -14.338 -17.579 11.401 1.00 0.00 O ATOM 760 CB MET A 50 -15.136 -14.731 10.133 1.00 0.00 C ATOM 761 CG MET A 50 -16.130 -13.570 10.193 1.00 0.00 C ATOM 762 SD MET A 50 -17.617 -13.992 9.300 1.00 0.00 S ATOM 763 CE MET A 50 -16.911 -14.476 7.734 1.00 0.00 C ATOM 0 H MET A 50 -13.844 -13.359 11.712 1.00 0.00 H new ATOM 0 HA MET A 50 -15.688 -15.518 12.069 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.230 -14.413 9.617 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.562 -15.550 9.553 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.372 -13.341 11.231 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.681 -12.674 9.765 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.589 -14.196 6.927 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.954 -13.972 7.595 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.758 -15.555 7.722 1.00 0.00 H new ATOM 773 N ASN A 51 -12.570 -16.169 11.391 1.00 0.00 N ATOM 774 CA ASN A 51 -11.583 -17.231 11.294 1.00 0.00 C ATOM 775 C ASN A 51 -10.490 -17.002 12.339 1.00 0.00 C ATOM 776 O ASN A 51 -9.617 -16.155 12.155 1.00 0.00 O ATOM 777 CB ASN A 51 -10.922 -17.243 9.914 1.00 0.00 C ATOM 778 CG ASN A 51 -11.967 -17.116 8.804 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.330 -18.076 8.144 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.430 -15.881 8.636 1.00 0.00 N ATOM 0 H ASN A 51 -12.181 -15.226 11.420 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.092 -18.181 11.459 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.208 -16.423 9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.359 -18.167 9.784 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.132 -15.692 7.920 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.083 -15.122 9.223 1.00 0.00 H new ATOM 787 N PRO A 52 -10.575 -17.792 13.443 1.00 0.00 N ATOM 788 CA PRO A 52 -9.604 -17.684 14.518 1.00 0.00 C ATOM 789 C PRO A 52 -8.272 -18.324 14.120 1.00 0.00 C ATOM 790 O PRO A 52 -7.246 -17.648 14.068 1.00 0.00 O ATOM 791 CB PRO A 52 -10.258 -18.366 15.709 1.00 0.00 C ATOM 792 CG PRO A 52 -11.366 -19.234 15.135 1.00 0.00 C ATOM 793 CD PRO A 52 -11.595 -18.806 13.695 1.00 0.00 C ATOM 0 HA PRO A 52 -9.353 -16.650 14.756 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.535 -18.968 16.259 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.659 -17.632 16.408 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.088 -20.287 15.181 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.280 -19.120 15.717 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.494 -19.648 13.011 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -12.598 -18.402 13.557 1.00 0.00 H new ATOM 801 N ASN A 53 -8.332 -19.620 13.849 1.00 0.00 N ATOM 802 CA ASN A 53 -7.143 -20.358 13.458 1.00 0.00 C ATOM 803 C ASN A 53 -6.374 -19.557 12.405 1.00 0.00 C ATOM 804 O ASN A 53 -5.145 -19.595 12.368 1.00 0.00 O ATOM 805 CB ASN A 53 -7.512 -21.711 12.846 1.00 0.00 C ATOM 806 CG ASN A 53 -8.347 -22.545 13.820 1.00 0.00 C ATOM 807 OD1 ASN A 53 -7.835 -23.319 14.611 1.00 0.00 O ATOM 808 ND2 ASN A 53 -9.658 -22.343 13.718 1.00 0.00 N ATOM 0 H ASN A 53 -9.185 -20.177 13.893 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.537 -20.518 14.350 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.071 -21.556 11.923 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.605 -22.254 12.582 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.301 -22.852 14.325 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.020 -21.679 13.033 1.00 0.00 H new ATOM 815 N SER A 54 -7.129 -18.851 11.577 1.00 0.00 N ATOM 816 CA SER A 54 -6.534 -18.043 10.527 1.00 0.00 C ATOM 817 C SER A 54 -5.253 -17.380 11.039 1.00 0.00 C ATOM 818 O SER A 54 -5.309 -16.356 11.719 1.00 0.00 O ATOM 819 CB SER A 54 -7.516 -16.982 10.024 1.00 0.00 C ATOM 820 OG SER A 54 -7.601 -15.870 10.911 1.00 0.00 O ATOM 0 H SER A 54 -8.148 -18.822 11.612 1.00 0.00 H new ATOM 0 HA SER A 54 -6.288 -18.697 9.691 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.203 -16.637 9.039 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.503 -17.428 9.907 1.00 0.00 H new ATOM 0 HG SER A 54 -8.121 -16.122 11.702 1.00 0.00 H new ATOM 826 N PRO A 55 -4.100 -18.007 10.684 1.00 0.00 N ATOM 827 CA PRO A 55 -2.808 -17.489 11.100 1.00 0.00 C ATOM 828 C PRO A 55 -2.426 -16.250 10.287 1.00 0.00 C ATOM 829 O PRO A 55 -1.956 -15.259 10.844 1.00 0.00 O ATOM 830 CB PRO A 55 -1.840 -18.646 10.911 1.00 0.00 C ATOM 831 CG PRO A 55 -2.530 -19.614 9.964 1.00 0.00 C ATOM 832 CD PRO A 55 -3.996 -19.221 9.880 1.00 0.00 C ATOM 0 HA PRO A 55 -2.805 -17.150 12.136 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.894 -18.300 10.495 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.613 -19.125 11.863 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.068 -19.577 8.977 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.430 -20.638 10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.299 -19.040 8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.640 -20.010 10.268 1.00 0.00 H new ATOM 840 N SER A 56 -2.641 -16.348 8.984 1.00 0.00 N ATOM 841 CA SER A 56 -2.324 -15.248 8.088 1.00 0.00 C ATOM 842 C SER A 56 -3.567 -14.850 7.290 1.00 0.00 C ATOM 843 O SER A 56 -3.522 -13.917 6.490 1.00 0.00 O ATOM 844 CB SER A 56 -1.182 -15.620 7.141 1.00 0.00 C ATOM 845 OG SER A 56 -0.885 -14.570 6.225 1.00 0.00 O ATOM 0 H SER A 56 -3.031 -17.172 8.526 1.00 0.00 H new ATOM 0 HA SER A 56 -1.998 -14.399 8.690 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.291 -15.856 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.449 -16.520 6.587 1.00 0.00 H new ATOM 0 HG SER A 56 -0.140 -14.035 6.571 1.00 0.00 H new ATOM 851 N ILE A 57 -4.648 -15.577 7.535 1.00 0.00 N ATOM 852 CA ILE A 57 -5.900 -15.311 6.849 1.00 0.00 C ATOM 853 C ILE A 57 -5.731 -15.601 5.357 1.00 0.00 C ATOM 854 O ILE A 57 -4.612 -15.776 4.878 1.00 0.00 O ATOM 855 CB ILE A 57 -6.384 -13.890 7.148 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.634 -13.700 8.646 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.617 -13.543 6.312 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.101 -13.358 8.917 1.00 0.00 C ATOM 0 H ILE A 57 -4.682 -16.350 8.199 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.683 -15.974 7.216 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.596 -13.193 6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.364 -14.610 9.182 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.995 -12.904 9.027 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.940 -12.528 6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.369 -13.612 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.421 -14.241 6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.252 -13.228 9.989 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.361 -12.435 8.399 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.736 -14.167 8.556 1.00 0.00 H new ATOM 870 N THR A 58 -6.860 -15.645 4.663 1.00 0.00 N ATOM 871 CA THR A 58 -6.850 -15.911 3.235 1.00 0.00 C ATOM 872 C THR A 58 -8.248 -15.710 2.646 1.00 0.00 C ATOM 873 O THR A 58 -9.240 -16.148 3.227 1.00 0.00 O ATOM 874 CB THR A 58 -6.299 -17.322 3.021 1.00 0.00 C ATOM 875 OG1 THR A 58 -5.634 -17.248 1.763 1.00 0.00 O ATOM 876 CG2 THR A 58 -7.404 -18.356 2.798 1.00 0.00 C ATOM 0 H THR A 58 -7.787 -15.501 5.064 1.00 0.00 H new ATOM 0 HA THR A 58 -6.204 -15.210 2.707 1.00 0.00 H new ATOM 0 HB THR A 58 -5.701 -17.612 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.245 -18.121 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.958 -19.340 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.060 -18.381 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.983 -18.085 1.915 1.00 0.00 H new ATOM 884 N TYR A 59 -8.282 -15.046 1.500 1.00 0.00 N ATOM 885 CA TYR A 59 -9.541 -14.781 0.825 1.00 0.00 C ATOM 886 C TYR A 59 -9.305 -14.283 -0.602 1.00 0.00 C ATOM 887 O TYR A 59 -8.180 -14.322 -1.098 1.00 0.00 O ATOM 888 CB TYR A 59 -10.226 -13.675 1.631 1.00 0.00 C ATOM 889 CG TYR A 59 -9.273 -12.588 2.131 1.00 0.00 C ATOM 890 CD1 TYR A 59 -8.821 -11.614 1.263 1.00 0.00 C ATOM 891 CD2 TYR A 59 -8.866 -12.579 3.449 1.00 0.00 C ATOM 892 CE1 TYR A 59 -7.924 -10.591 1.733 1.00 0.00 C ATOM 893 CE2 TYR A 59 -7.969 -11.556 3.919 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.542 -10.612 3.038 1.00 0.00 C ATOM 895 OH TYR A 59 -6.695 -9.645 3.482 1.00 0.00 O ATOM 0 H TYR A 59 -7.457 -14.683 1.022 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.142 -15.688 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.996 -13.213 1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.731 -14.123 2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.140 -11.620 0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.221 -13.340 4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.562 -9.824 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.642 -11.538 4.948 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.019 -10.046 4.067 1.00 0.00 H new ATOM 905 N ASP A 60 -10.383 -13.827 -1.222 1.00 0.00 N ATOM 906 CA ASP A 60 -10.307 -13.322 -2.582 1.00 0.00 C ATOM 907 C ASP A 60 -10.015 -11.821 -2.549 1.00 0.00 C ATOM 908 O ASP A 60 -10.660 -11.076 -1.812 1.00 0.00 O ATOM 909 CB ASP A 60 -11.631 -13.530 -3.321 1.00 0.00 C ATOM 910 CG ASP A 60 -11.879 -14.958 -3.813 1.00 0.00 C ATOM 911 OD1 ASP A 60 -10.907 -15.563 -4.312 1.00 0.00 O ATOM 912 OD2 ASP A 60 -13.037 -15.411 -3.678 1.00 0.00 O ATOM 0 H ASP A 60 -11.314 -13.797 -0.807 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.516 -13.864 -3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.448 -13.242 -2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.662 -12.856 -4.177 1.00 0.00 H new ATOM 917 N ILE A 61 -9.043 -11.422 -3.356 1.00 0.00 N ATOM 918 CA ILE A 61 -8.658 -10.022 -3.428 1.00 0.00 C ATOM 919 C ILE A 61 -9.882 -9.179 -3.790 1.00 0.00 C ATOM 920 O ILE A 61 -10.020 -8.048 -3.327 1.00 0.00 O ATOM 921 CB ILE A 61 -7.480 -9.840 -4.388 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.227 -9.386 -3.637 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.843 -8.885 -5.527 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.070 -9.131 -4.605 1.00 0.00 C ATOM 0 H ILE A 61 -8.511 -12.043 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.306 -9.673 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.254 -10.806 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.444 -8.477 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.938 -10.146 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.989 -8.773 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.689 -9.288 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.111 -7.912 -5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.192 -8.809 -4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.840 -10.049 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.353 -8.353 -5.314 1.00 0.00 H new ATOM 936 N SER A 62 -10.740 -9.762 -4.615 1.00 0.00 N ATOM 937 CA SER A 62 -11.948 -9.078 -5.044 1.00 0.00 C ATOM 938 C SER A 62 -12.907 -8.918 -3.862 1.00 0.00 C ATOM 939 O SER A 62 -13.812 -8.086 -3.902 1.00 0.00 O ATOM 940 CB SER A 62 -12.633 -9.834 -6.184 1.00 0.00 C ATOM 941 OG SER A 62 -11.974 -9.631 -7.431 1.00 0.00 O ATOM 0 H SER A 62 -10.622 -10.700 -4.997 1.00 0.00 H new ATOM 0 HA SER A 62 -11.669 -8.091 -5.414 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.652 -10.899 -5.953 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.670 -9.507 -6.264 1.00 0.00 H new ATOM 0 HG SER A 62 -12.440 -10.131 -8.133 1.00 0.00 H new ATOM 947 N GLN A 63 -12.674 -9.726 -2.839 1.00 0.00 N ATOM 948 CA GLN A 63 -13.506 -9.685 -1.648 1.00 0.00 C ATOM 949 C GLN A 63 -13.059 -8.546 -0.729 1.00 0.00 C ATOM 950 O GLN A 63 -13.848 -7.659 -0.405 1.00 0.00 O ATOM 951 CB GLN A 63 -13.478 -11.026 -0.913 1.00 0.00 C ATOM 952 CG GLN A 63 -14.883 -11.624 -0.811 1.00 0.00 C ATOM 953 CD GLN A 63 -15.326 -12.214 -2.152 1.00 0.00 C ATOM 954 OE1 GLN A 63 -15.110 -11.647 -3.210 1.00 0.00 O ATOM 955 NE2 GLN A 63 -15.956 -13.381 -2.047 1.00 0.00 N ATOM 0 H GLN A 63 -11.921 -10.413 -2.810 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.536 -9.498 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.821 -11.719 -1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.064 -10.889 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.897 -12.400 -0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.588 -10.854 -0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.103 -13.800 -1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.292 -13.857 -2.885 1.00 0.00 H new ATOM 964 N LEU A 64 -11.796 -8.608 -0.334 1.00 0.00 N ATOM 965 CA LEU A 64 -11.235 -7.593 0.542 1.00 0.00 C ATOM 966 C LEU A 64 -11.646 -6.207 0.038 1.00 0.00 C ATOM 967 O LEU A 64 -12.099 -5.370 0.816 1.00 0.00 O ATOM 968 CB LEU A 64 -9.722 -7.776 0.674 1.00 0.00 C ATOM 969 CG LEU A 64 -8.903 -6.494 0.835 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.501 -5.594 1.919 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.431 -6.814 1.104 1.00 0.00 C ATOM 0 H LEU A 64 -11.145 -9.345 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.634 -7.697 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.527 -8.418 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.362 -8.305 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.946 -5.941 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.900 -4.690 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.521 -5.325 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.508 -6.126 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.871 -5.885 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.347 -7.399 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.025 -7.386 0.270 1.00 0.00 H new ATOM 983 N PHE A 65 -11.471 -6.009 -1.260 1.00 0.00 N ATOM 984 CA PHE A 65 -11.818 -4.740 -1.877 1.00 0.00 C ATOM 985 C PHE A 65 -13.327 -4.497 -1.820 1.00 0.00 C ATOM 986 O PHE A 65 -13.773 -3.353 -1.747 1.00 0.00 O ATOM 987 CB PHE A 65 -11.381 -4.820 -3.341 1.00 0.00 C ATOM 988 CG PHE A 65 -9.864 -4.863 -3.536 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.037 -4.742 -2.464 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.343 -5.022 -4.782 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.629 -4.781 -2.645 1.00 0.00 C ATOM 992 CE2 PHE A 65 -7.936 -5.062 -4.964 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.108 -4.941 -3.891 1.00 0.00 C ATOM 0 H PHE A 65 -11.093 -6.706 -1.902 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.326 -3.923 -1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.820 -5.709 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.782 -3.959 -3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.451 -4.616 -1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.000 -5.118 -5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.972 -4.684 -1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.523 -5.188 -5.954 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.037 -4.972 -4.029 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.073 -5.592 -1.854 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.523 -5.512 -1.808 1.00 0.00 C ATOM 1005 C ASP A 66 -15.944 -4.652 -0.614 1.00 0.00 C ATOM 1006 O ASP A 66 -17.036 -4.086 -0.606 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.146 -6.898 -1.635 1.00 0.00 C ATOM 1008 CG ASP A 66 -17.451 -7.121 -2.401 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.379 -6.310 -2.189 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -17.493 -8.097 -3.180 1.00 0.00 O ATOM 0 H ASP A 66 -13.700 -6.540 -1.913 1.00 0.00 H new ATOM 0 HA ASP A 66 -15.867 -5.077 -2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.422 -7.648 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.332 -7.066 -0.574 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.055 -4.582 0.366 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.320 -3.801 1.562 1.00 0.00 C ATOM 1017 C PHE A 67 -14.736 -2.392 1.439 1.00 0.00 C ATOM 1018 O PHE A 67 -15.352 -1.420 1.874 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.640 -4.522 2.728 1.00 0.00 C ATOM 1020 CG PHE A 67 -13.974 -3.584 3.736 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.738 -2.778 4.522 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.619 -3.555 3.847 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -14.120 -1.907 5.459 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -12.001 -2.684 4.783 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.765 -1.879 5.570 1.00 0.00 C ATOM 0 H PHE A 67 -14.151 -5.053 0.356 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.395 -3.707 1.713 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.381 -5.130 3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.889 -5.205 2.331 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.814 -2.800 4.434 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -12.013 -4.195 3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.726 -1.267 6.083 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.925 -2.661 4.870 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.295 -1.218 6.283 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.555 -2.326 0.842 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.881 -1.053 0.656 1.00 0.00 C ATOM 1037 C ILE A 68 -13.886 -0.019 0.144 1.00 0.00 C ATOM 1038 O ILE A 68 -13.882 1.128 0.589 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.658 -1.221 -0.248 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.414 -1.570 0.572 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.443 0.020 -1.117 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.244 -1.946 -0.340 1.00 0.00 C ATOM 0 H ILE A 68 -13.048 -3.134 0.481 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.498 -0.683 1.607 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.844 -2.057 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.135 -0.721 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.637 -2.399 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.568 -0.126 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.320 0.182 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.288 0.889 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.373 -2.190 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.517 -2.810 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.007 -1.106 -0.993 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.722 -0.462 -0.783 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.730 0.411 -1.360 1.00 0.00 C ATOM 1056 C ASP A 69 -16.622 0.960 -0.244 1.00 0.00 C ATOM 1057 O ASP A 69 -16.974 2.138 -0.249 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.620 -0.351 -2.345 1.00 0.00 C ATOM 1059 CG ASP A 69 -16.061 -0.466 -3.764 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -14.832 -0.665 -3.876 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -16.875 -0.354 -4.706 1.00 0.00 O ATOM 0 H ASP A 69 -14.722 -1.414 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.218 1.217 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.791 -1.355 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.591 0.143 -2.392 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.962 0.079 0.685 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.806 0.460 1.805 1.00 0.00 C ATOM 1068 C ASP A 70 -17.285 1.765 2.410 1.00 0.00 C ATOM 1069 O ASP A 70 -18.060 2.677 2.690 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.787 -0.609 2.898 1.00 0.00 C ATOM 1071 CG ASP A 70 -18.921 -0.510 3.920 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -20.081 -0.384 3.470 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -18.604 -0.563 5.128 1.00 0.00 O ATOM 0 H ASP A 70 -16.668 -0.898 0.685 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.824 0.578 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.829 -1.591 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.836 -0.550 3.427 1.00 0.00 H new ATOM 1078 N LEU A 71 -15.973 1.812 2.593 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.339 2.990 3.160 1.00 0.00 C ATOM 1080 C LEU A 71 -15.865 4.239 2.450 1.00 0.00 C ATOM 1081 O LEU A 71 -16.577 4.136 1.452 1.00 0.00 O ATOM 1082 CB LEU A 71 -13.816 2.852 3.115 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.214 1.759 4.000 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.778 1.441 3.580 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.308 2.138 5.479 1.00 0.00 C ATOM 0 H LEU A 71 -15.332 1.054 2.359 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.596 3.091 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.519 2.661 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.376 3.807 3.402 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.798 0.849 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.374 0.661 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.769 1.097 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.166 2.338 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.873 1.344 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.764 3.067 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.354 2.274 5.754 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.494 5.390 2.992 1.00 0.00 N ATOM 1098 CA ALA A 72 -15.919 6.657 2.422 1.00 0.00 C ATOM 1099 C ALA A 72 -14.974 7.041 1.281 1.00 0.00 C ATOM 1100 O ALA A 72 -15.357 7.781 0.376 1.00 0.00 O ATOM 1101 CB ALA A 72 -15.968 7.720 3.521 1.00 0.00 C ATOM 0 H ALA A 72 -14.904 5.471 3.820 1.00 0.00 H new ATOM 0 HA ALA A 72 -16.922 6.573 2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.287 8.671 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.675 7.414 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.977 7.834 3.961 1.00 0.00 H new ATOM 1107 N ASP A 73 -13.758 6.521 1.362 1.00 0.00 N ATOM 1108 CA ASP A 73 -12.756 6.801 0.348 1.00 0.00 C ATOM 1109 C ASP A 73 -11.362 6.610 0.948 1.00 0.00 C ATOM 1110 O ASP A 73 -10.999 7.284 1.911 1.00 0.00 O ATOM 1111 CB ASP A 73 -12.863 8.244 -0.149 1.00 0.00 C ATOM 1112 CG ASP A 73 -11.577 8.819 -0.745 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.313 8.512 -1.928 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -10.887 9.553 -0.005 1.00 0.00 O ATOM 0 H ASP A 73 -13.444 5.908 2.114 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.921 6.119 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.649 8.296 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.175 8.877 0.682 1.00 0.00 H new ATOM 1119 N LEU A 74 -10.618 5.688 0.354 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.272 5.400 0.819 1.00 0.00 C ATOM 1121 C LEU A 74 -8.265 6.154 -0.051 1.00 0.00 C ATOM 1122 O LEU A 74 -8.326 6.088 -1.278 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.033 3.889 0.866 1.00 0.00 C ATOM 1124 CG LEU A 74 -7.927 3.414 1.810 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -8.388 3.471 3.268 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -7.434 2.019 1.419 1.00 0.00 C ATOM 0 H LEU A 74 -10.922 5.131 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.139 5.753 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.964 3.403 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.795 3.547 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.080 4.094 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.583 3.128 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.651 4.497 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.259 2.829 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.648 1.705 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.263 1.313 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.039 2.044 0.403 1.00 0.00 H new ATOM 1138 N SER A 75 -7.361 6.855 0.618 1.00 0.00 N ATOM 1139 CA SER A 75 -6.342 7.622 -0.078 1.00 0.00 C ATOM 1140 C SER A 75 -4.964 7.319 0.513 1.00 0.00 C ATOM 1141 O SER A 75 -4.862 6.787 1.617 1.00 0.00 O ATOM 1142 CB SER A 75 -6.634 9.122 -0.004 1.00 0.00 C ATOM 1143 OG SER A 75 -8.026 9.401 -0.132 1.00 0.00 O ATOM 0 H SER A 75 -7.313 6.908 1.636 1.00 0.00 H new ATOM 0 HA SER A 75 -6.352 7.330 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.271 9.516 0.945 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.087 9.637 -0.793 1.00 0.00 H new ATOM 0 HG SER A 75 -8.172 10.369 -0.078 1.00 0.00 H new ATOM 1149 N CYS A 76 -3.938 7.673 -0.247 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.571 7.446 0.188 1.00 0.00 C ATOM 1151 C CYS A 76 -1.678 8.507 -0.458 1.00 0.00 C ATOM 1152 O CYS A 76 -1.985 9.005 -1.540 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.100 6.028 -0.140 1.00 0.00 C ATOM 1154 SG CYS A 76 -0.589 5.633 0.814 1.00 0.00 S ATOM 0 H CYS A 76 -4.026 8.116 -1.162 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.514 7.535 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.887 5.311 0.096 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.899 5.941 -1.208 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.562 6.347 1.900 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.592 8.822 0.233 1.00 0.00 N ATOM 1161 CA LEU A 77 0.346 9.816 -0.261 1.00 0.00 C ATOM 1162 C LEU A 77 1.710 9.157 -0.481 1.00 0.00 C ATOM 1163 O LEU A 77 2.149 8.344 0.331 1.00 0.00 O ATOM 1164 CB LEU A 77 0.391 11.024 0.677 1.00 0.00 C ATOM 1165 CG LEU A 77 -0.929 11.773 0.869 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.630 12.000 -0.472 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -1.831 11.049 1.871 1.00 0.00 C ATOM 0 H LEU A 77 -0.341 8.407 1.130 1.00 0.00 H new ATOM 0 HA LEU A 77 0.018 10.203 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.741 10.688 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.133 11.727 0.297 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.706 12.755 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.566 12.534 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.985 12.589 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.839 11.038 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.762 11.603 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.049 10.046 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.325 10.982 2.834 1.00 0.00 H new ATOM 1179 N VAL A 78 2.342 9.533 -1.583 1.00 0.00 N ATOM 1180 CA VAL A 78 3.647 8.990 -1.920 1.00 0.00 C ATOM 1181 C VAL A 78 4.681 10.117 -1.916 1.00 0.00 C ATOM 1182 O VAL A 78 4.327 11.289 -2.039 1.00 0.00 O ATOM 1183 CB VAL A 78 3.575 8.248 -3.256 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.965 8.110 -3.881 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.911 6.880 -3.089 1.00 0.00 C ATOM 0 H VAL A 78 1.974 10.207 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 78 3.961 8.260 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 78 2.959 8.838 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.886 7.579 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.386 9.100 -4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.614 7.552 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.873 6.374 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.488 6.279 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.898 7.011 -2.708 1.00 0.00 H new ATOM 1195 N TYR A 79 5.938 9.724 -1.774 1.00 0.00 N ATOM 1196 CA TYR A 79 7.026 10.687 -1.752 1.00 0.00 C ATOM 1197 C TYR A 79 7.374 11.152 -3.168 1.00 0.00 C ATOM 1198 O TYR A 79 7.385 10.353 -4.103 1.00 0.00 O ATOM 1199 CB TYR A 79 8.229 9.951 -1.160 1.00 0.00 C ATOM 1200 CG TYR A 79 9.472 10.827 -0.990 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.337 12.187 -0.798 1.00 0.00 C ATOM 1202 CD2 TYR A 79 10.728 10.257 -1.028 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.507 13.011 -0.638 1.00 0.00 C ATOM 1204 CE2 TYR A 79 11.898 11.081 -0.868 1.00 0.00 C ATOM 1205 CZ TYR A 79 11.730 12.417 -0.681 1.00 0.00 C ATOM 1206 OH TYR A 79 12.835 13.196 -0.530 1.00 0.00 O ATOM 0 H TYR A 79 6.228 8.751 -1.673 1.00 0.00 H new ATOM 0 HA TYR A 79 6.748 11.567 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.950 9.542 -0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.477 9.106 -1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.354 12.633 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.834 9.193 -1.178 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.416 14.077 -0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.887 10.647 -0.896 1.00 0.00 H new ATOM 0 HH TYR A 79 13.639 12.637 -0.582 1.00 0.00 H new ATOM 1216 N ARG A 80 7.649 12.443 -3.281 1.00 0.00 N ATOM 1217 CA ARG A 80 7.996 13.024 -4.567 1.00 0.00 C ATOM 1218 C ARG A 80 9.004 14.161 -4.380 1.00 0.00 C ATOM 1219 O ARG A 80 8.764 15.286 -4.816 1.00 0.00 O ATOM 1220 CB ARG A 80 6.755 13.565 -5.280 1.00 0.00 C ATOM 1221 CG ARG A 80 6.034 14.602 -4.417 1.00 0.00 C ATOM 1222 CD ARG A 80 5.479 13.963 -3.142 1.00 0.00 C ATOM 1223 NE ARG A 80 6.353 14.286 -1.992 1.00 0.00 N ATOM 1224 CZ ARG A 80 6.147 13.843 -0.745 1.00 0.00 C ATOM 1225 NH1 ARG A 80 5.096 13.056 -0.478 1.00 0.00 N ATOM 1226 NH2 ARG A 80 6.992 14.186 0.237 1.00 0.00 N ATOM 0 H ARG A 80 7.639 13.103 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 80 8.438 12.237 -5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.044 14.015 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.077 12.743 -5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.723 15.405 -4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.221 15.052 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.468 14.325 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.412 12.882 -3.266 1.00 0.00 H new ATOM 0 HE ARG A 80 7.163 14.883 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.452 12.794 -1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.940 12.719 0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.793 14.785 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.834 13.848 1.186 1.00 0.00 H new ATOM 1240 N ALA A 81 10.111 13.827 -3.733 1.00 0.00 N ATOM 1241 CA ALA A 81 11.156 14.805 -3.484 1.00 0.00 C ATOM 1242 C ALA A 81 11.289 15.724 -4.700 1.00 0.00 C ATOM 1243 O ALA A 81 11.634 16.896 -4.562 1.00 0.00 O ATOM 1244 CB ALA A 81 12.463 14.083 -3.153 1.00 0.00 C ATOM 0 H ALA A 81 10.307 12.893 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 81 10.902 15.428 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.247 14.817 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.324 13.467 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.751 13.450 -3.992 1.00 0.00 H new ATOM 1250 N ASP A 82 11.009 15.156 -5.864 1.00 0.00 N ATOM 1251 CA ASP A 82 11.093 15.909 -7.104 1.00 0.00 C ATOM 1252 C ASP A 82 10.539 17.317 -6.879 1.00 0.00 C ATOM 1253 O ASP A 82 11.116 18.297 -7.347 1.00 0.00 O ATOM 1254 CB ASP A 82 10.266 15.247 -8.208 1.00 0.00 C ATOM 1255 CG ASP A 82 10.734 13.848 -8.615 1.00 0.00 C ATOM 1256 OD1 ASP A 82 11.594 13.778 -9.520 1.00 0.00 O ATOM 1257 OD2 ASP A 82 10.221 12.880 -8.013 1.00 0.00 O ATOM 0 H ASP A 82 10.724 14.183 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 82 12.139 15.942 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.229 15.185 -7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.282 15.890 -9.088 1.00 0.00 H new ATOM 1262 N THR A 83 9.426 17.373 -6.162 1.00 0.00 N ATOM 1263 CA THR A 83 8.788 18.645 -5.869 1.00 0.00 C ATOM 1264 C THR A 83 8.745 18.885 -4.359 1.00 0.00 C ATOM 1265 O THR A 83 8.633 20.025 -3.910 1.00 0.00 O ATOM 1266 CB THR A 83 7.405 18.642 -6.523 1.00 0.00 C ATOM 1267 OG1 THR A 83 6.624 19.494 -5.689 1.00 0.00 O ATOM 1268 CG2 THR A 83 6.712 17.282 -6.421 1.00 0.00 C ATOM 0 H THR A 83 8.950 16.558 -5.775 1.00 0.00 H new ATOM 0 HA THR A 83 9.357 19.477 -6.283 1.00 0.00 H new ATOM 0 HB THR A 83 7.499 18.923 -7.572 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.711 19.550 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.735 17.335 -6.901 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.320 16.526 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.587 17.015 -5.372 1.00 0.00 H new ATOM 1276 N GLN A 84 8.836 17.792 -3.615 1.00 0.00 N ATOM 1277 CA GLN A 84 8.808 17.869 -2.165 1.00 0.00 C ATOM 1278 C GLN A 84 7.422 18.302 -1.682 1.00 0.00 C ATOM 1279 O GLN A 84 7.298 19.259 -0.920 1.00 0.00 O ATOM 1280 CB GLN A 84 9.891 18.817 -1.645 1.00 0.00 C ATOM 1281 CG GLN A 84 11.151 18.046 -1.249 1.00 0.00 C ATOM 1282 CD GLN A 84 11.454 18.219 0.241 1.00 0.00 C ATOM 1283 OE1 GLN A 84 11.146 19.231 0.850 1.00 0.00 O ATOM 1284 NE2 GLN A 84 12.072 17.178 0.792 1.00 0.00 N ATOM 0 H GLN A 84 8.929 16.848 -3.990 1.00 0.00 H new ATOM 0 HA GLN A 84 9.017 16.877 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.136 19.551 -2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.513 19.369 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.021 16.988 -1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.997 18.398 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.301 16.362 0.225 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.317 17.196 1.782 1.00 0.00 H new ATOM 1293 N THR A 85 6.416 17.577 -2.146 1.00 0.00 N ATOM 1294 CA THR A 85 5.044 17.874 -1.772 1.00 0.00 C ATOM 1295 C THR A 85 4.327 16.601 -1.317 1.00 0.00 C ATOM 1296 O THR A 85 4.740 15.964 -0.349 1.00 0.00 O ATOM 1297 CB THR A 85 4.367 18.560 -2.960 1.00 0.00 C ATOM 1298 OG1 THR A 85 2.984 18.566 -2.616 1.00 0.00 O ATOM 1299 CG2 THR A 85 4.431 17.719 -4.236 1.00 0.00 C ATOM 0 H THR A 85 6.523 16.784 -2.778 1.00 0.00 H new ATOM 0 HA THR A 85 5.005 18.553 -0.921 1.00 0.00 H new ATOM 0 HB THR A 85 4.839 19.526 -3.139 1.00 0.00 H new ATOM 0 HG1 THR A 85 2.471 18.995 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.936 18.252 -5.048 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.473 17.539 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.930 16.766 -4.069 1.00 0.00 H new ATOM 1307 N TYR A 86 3.266 16.268 -2.037 1.00 0.00 N ATOM 1308 CA TYR A 86 2.488 15.082 -1.720 1.00 0.00 C ATOM 1309 C TYR A 86 1.636 14.650 -2.915 1.00 0.00 C ATOM 1310 O TYR A 86 0.900 15.456 -3.481 1.00 0.00 O ATOM 1311 CB TYR A 86 1.565 15.480 -0.567 1.00 0.00 C ATOM 1312 CG TYR A 86 0.235 16.089 -1.017 1.00 0.00 C ATOM 1313 CD1 TYR A 86 0.167 17.426 -1.353 1.00 0.00 C ATOM 1314 CD2 TYR A 86 -0.896 15.302 -1.087 1.00 0.00 C ATOM 1315 CE1 TYR A 86 -1.084 17.999 -1.776 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -2.148 15.875 -1.510 1.00 0.00 C ATOM 1317 CZ TYR A 86 -2.180 17.195 -1.834 1.00 0.00 C ATOM 1318 OH TYR A 86 -3.362 17.737 -2.234 1.00 0.00 O ATOM 0 H TYR A 86 2.927 16.799 -2.839 1.00 0.00 H new ATOM 0 HA TYR A 86 3.143 14.250 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.362 14.600 0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.084 16.196 0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.052 18.042 -1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.843 14.256 -0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.151 19.044 -2.041 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.041 15.270 -1.568 1.00 0.00 H new ATOM 0 HH TYR A 86 -4.057 17.046 -2.229 1.00 0.00 H new ATOM 1328 N GLN A 87 1.765 13.377 -3.263 1.00 0.00 N ATOM 1329 CA GLN A 87 1.016 12.828 -4.380 1.00 0.00 C ATOM 1330 C GLN A 87 -0.143 11.968 -3.870 1.00 0.00 C ATOM 1331 O GLN A 87 0.067 10.844 -3.417 1.00 0.00 O ATOM 1332 CB GLN A 87 1.927 12.025 -5.309 1.00 0.00 C ATOM 1333 CG GLN A 87 2.720 12.950 -6.234 1.00 0.00 C ATOM 1334 CD GLN A 87 2.481 12.594 -7.703 1.00 0.00 C ATOM 1335 OE1 GLN A 87 3.391 12.260 -8.444 1.00 0.00 O ATOM 1336 NE2 GLN A 87 1.208 12.682 -8.081 1.00 0.00 N ATOM 0 H GLN A 87 2.377 12.711 -2.791 1.00 0.00 H new ATOM 0 HA GLN A 87 0.603 13.655 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.614 11.421 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.328 11.336 -5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.429 13.985 -6.055 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.783 12.874 -6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.495 12.968 -7.410 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.945 12.463 -9.042 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.371 12.544 -3.964 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.563 11.843 -3.518 1.00 0.00 C ATOM 1347 C PRO A 88 -2.961 10.750 -4.513 1.00 0.00 C ATOM 1348 O PRO A 88 -2.729 10.885 -5.714 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.621 12.923 -3.367 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.123 14.111 -4.174 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.657 13.874 -4.495 1.00 0.00 C ATOM 0 HA PRO A 88 -2.414 11.316 -2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.587 12.578 -3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.758 13.192 -2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.702 14.219 -5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.246 15.035 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.474 13.919 -5.569 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.023 14.630 -4.032 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.553 9.694 -3.977 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.986 8.579 -4.803 1.00 0.00 C ATOM 1361 C TYR A 89 -5.248 7.930 -4.231 1.00 0.00 C ATOM 1362 O TYR A 89 -5.249 7.465 -3.092 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.844 7.562 -4.770 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.558 8.048 -5.442 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.352 7.814 -6.787 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.605 8.719 -4.704 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.142 8.271 -7.419 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.605 9.176 -5.337 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.777 8.930 -6.663 1.00 0.00 C ATOM 1370 OH TYR A 89 1.920 9.362 -7.261 1.00 0.00 O ATOM 0 H TYR A 89 -3.743 9.586 -2.981 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.216 8.917 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.626 7.309 -3.732 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.173 6.645 -5.259 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.098 7.288 -7.365 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.766 8.902 -3.652 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.032 8.095 -8.470 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.359 9.703 -4.771 1.00 0.00 H new ATOM 0 HH TYR A 89 1.740 9.563 -8.203 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.291 7.920 -5.047 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.557 7.335 -4.636 1.00 0.00 C ATOM 1382 C ASN A 90 -7.315 5.915 -4.121 1.00 0.00 C ATOM 1383 O ASN A 90 -6.173 5.462 -4.052 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.532 7.252 -5.812 1.00 0.00 C ATOM 1385 CG ASN A 90 -8.825 8.641 -6.382 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -8.047 9.571 -6.250 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -9.988 8.730 -7.021 1.00 0.00 N ATOM 0 H ASN A 90 -6.286 8.307 -5.991 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.984 7.967 -3.857 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.113 6.616 -6.592 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.462 6.786 -5.486 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.275 9.616 -7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.593 7.912 -7.095 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.407 5.252 -3.772 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.328 3.893 -3.265 1.00 0.00 C ATOM 1396 C LYS A 91 -7.972 2.945 -4.412 1.00 0.00 C ATOM 1397 O LYS A 91 -7.218 1.992 -4.224 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.619 3.517 -2.535 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.817 3.550 -3.487 1.00 0.00 C ATOM 1400 CD LYS A 91 -11.896 2.560 -3.044 1.00 0.00 C ATOM 1401 CE LYS A 91 -12.514 2.983 -1.710 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.720 3.809 -1.936 1.00 0.00 N ATOM 0 H LYS A 91 -9.352 5.631 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.534 3.809 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.520 2.521 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.788 4.207 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.233 4.557 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.489 3.308 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.673 2.499 -3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.464 1.564 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.775 2.100 -1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.785 3.546 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.127 4.087 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.461 4.661 -2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.421 3.260 -2.474 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.532 3.240 -5.576 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.284 2.426 -6.754 1.00 0.00 C ATOM 1418 C ASP A 92 -6.779 2.184 -6.893 1.00 0.00 C ATOM 1419 O ASP A 92 -6.345 1.049 -7.087 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.768 3.131 -8.023 1.00 0.00 C ATOM 1421 CG ASP A 92 -10.012 2.518 -8.668 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -10.428 1.441 -8.189 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -10.519 3.140 -9.627 1.00 0.00 O ATOM 0 H ASP A 92 -9.157 4.032 -5.729 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.824 1.487 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.977 4.174 -7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.959 3.128 -8.754 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.025 3.268 -6.787 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.579 3.187 -6.899 1.00 0.00 C ATOM 1430 C TRP A 93 -4.078 2.197 -5.845 1.00 0.00 C ATOM 1431 O TRP A 93 -3.208 1.374 -6.125 1.00 0.00 O ATOM 1432 CB TRP A 93 -3.941 4.571 -6.769 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.413 4.564 -6.858 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.651 4.460 -7.955 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.488 4.668 -5.755 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.307 4.490 -7.641 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.205 4.621 -6.261 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.727 4.798 -4.376 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.939 4.697 -5.458 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.573 4.873 -3.587 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.726 4.827 -4.081 1.00 0.00 C ATOM 0 H TRP A 93 -6.388 4.207 -6.625 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.288 2.824 -7.885 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.337 5.217 -7.552 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.237 5.008 -5.815 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.039 4.365 -8.958 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.469 4.428 -8.300 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.722 4.837 -3.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.933 4.657 -5.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.701 4.974 -2.519 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.566 4.891 -3.405 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.649 2.310 -4.654 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.272 1.436 -3.557 1.00 0.00 C ATOM 1454 C ILE A 94 -4.678 -0.001 -3.893 1.00 0.00 C ATOM 1455 O ILE A 94 -3.841 -0.902 -3.894 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.855 1.948 -2.239 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.390 3.377 -1.952 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.525 0.996 -1.087 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.486 4.180 -1.248 1.00 0.00 C ATOM 0 H ILE A 94 -5.370 2.994 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.190 1.439 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.941 1.975 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.495 3.354 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.117 3.869 -2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.951 1.383 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.945 0.012 -1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.443 0.913 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.129 5.192 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.371 4.222 -1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.739 3.699 -0.303 1.00 0.00 H new ATOM 1471 N LYS A 95 -5.963 -0.169 -4.169 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.490 -1.480 -4.506 1.00 0.00 C ATOM 1473 C LYS A 95 -5.529 -2.180 -5.469 1.00 0.00 C ATOM 1474 O LYS A 95 -5.303 -3.384 -5.360 1.00 0.00 O ATOM 1475 CB LYS A 95 -7.919 -1.362 -5.041 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.838 -0.708 -4.007 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.310 -0.923 -4.369 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.603 -0.430 -5.787 1.00 0.00 C ATOM 1479 NZ LYS A 95 -11.972 -0.815 -6.197 1.00 0.00 N ATOM 0 H LYS A 95 -6.654 0.581 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.558 -2.103 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.920 -0.773 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.299 -2.351 -5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.637 -1.126 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.626 0.360 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.557 -1.982 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.944 -0.394 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.495 0.654 -5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.877 -0.851 -6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.155 -0.473 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.063 -1.851 -6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.662 -0.392 -5.543 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.989 -1.396 -6.390 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.057 -1.925 -7.371 1.00 0.00 C ATOM 1495 C GLU A 96 -2.762 -2.369 -6.688 1.00 0.00 C ATOM 1496 O GLU A 96 -2.258 -3.459 -6.954 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.774 -0.897 -8.468 1.00 0.00 C ATOM 1498 CG GLU A 96 -5.051 -0.546 -9.234 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.290 -1.531 -10.381 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.356 -1.692 -11.195 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -6.403 -2.100 -10.417 1.00 0.00 O ATOM 0 H GLU A 96 -5.179 -0.398 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.512 -2.796 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.352 0.005 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.029 -1.292 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.903 -0.560 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.976 0.467 -9.629 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.260 -1.502 -5.821 1.00 0.00 N ATOM 1509 CA LYS A 97 -1.034 -1.791 -5.098 1.00 0.00 C ATOM 1510 C LYS A 97 -1.259 -2.996 -4.181 1.00 0.00 C ATOM 1511 O LYS A 97 -0.682 -4.061 -4.397 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.538 -0.544 -4.363 1.00 0.00 C ATOM 1513 CG LYS A 97 0.876 -0.169 -4.812 1.00 0.00 C ATOM 1514 CD LYS A 97 0.895 0.226 -6.290 1.00 0.00 C ATOM 1515 CE LYS A 97 0.390 1.657 -6.481 1.00 0.00 C ATOM 1516 NZ LYS A 97 0.810 2.184 -7.799 1.00 0.00 N ATOM 0 H LYS A 97 -2.681 -0.599 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.238 -2.062 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.216 0.288 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.546 -0.724 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.247 0.658 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.549 -1.011 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.909 0.139 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.273 -0.462 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.697 1.679 -6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.779 2.295 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.133 2.907 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.756 2.607 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.836 1.408 -8.491 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.099 -2.787 -3.178 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.408 -3.842 -2.229 1.00 0.00 C ATOM 1532 C ILE A 98 -2.534 -5.172 -2.974 1.00 0.00 C ATOM 1533 O ILE A 98 -2.007 -6.191 -2.529 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.646 -3.478 -1.406 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.218 -4.710 -0.702 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.693 -2.776 -2.273 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.206 -4.305 0.394 1.00 0.00 C ATOM 0 H ILE A 98 -2.575 -1.902 -3.002 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.598 -3.955 -1.509 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.346 -2.774 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.718 -5.350 -1.429 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.407 -5.295 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.563 -2.528 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.268 -1.862 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.995 -3.437 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.598 -5.199 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.697 -3.686 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.028 -3.741 -0.047 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.237 -5.121 -4.096 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.439 -6.309 -4.908 1.00 0.00 C ATOM 1551 C TYR A 99 -2.104 -6.872 -5.398 1.00 0.00 C ATOM 1552 O TYR A 99 -1.859 -8.074 -5.299 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.263 -5.859 -6.116 1.00 0.00 C ATOM 1554 CG TYR A 99 -4.449 -6.942 -7.181 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -3.364 -7.389 -7.907 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -5.702 -7.472 -7.414 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.540 -8.409 -8.909 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -5.877 -8.491 -8.416 1.00 0.00 C ATOM 1559 CZ TYR A 99 -4.787 -8.910 -9.114 1.00 0.00 C ATOM 1560 OH TYR A 99 -4.953 -9.872 -10.060 1.00 0.00 O ATOM 0 H TYR A 99 -3.674 -4.275 -4.462 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.935 -7.089 -4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.244 -5.530 -5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.779 -4.995 -6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.384 -6.974 -7.724 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.551 -7.122 -6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.700 -8.768 -9.485 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.852 -8.913 -8.609 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.896 -10.136 -10.096 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.275 -5.978 -5.915 1.00 0.00 N ATOM 1571 CA VAL A 100 0.030 -6.371 -6.421 1.00 0.00 C ATOM 1572 C VAL A 100 0.928 -6.769 -5.248 1.00 0.00 C ATOM 1573 O VAL A 100 1.834 -7.586 -5.404 1.00 0.00 O ATOM 1574 CB VAL A 100 0.622 -5.246 -7.272 1.00 0.00 C ATOM 1575 CG1 VAL A 100 1.939 -5.682 -7.918 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.378 -4.774 -8.329 1.00 0.00 C ATOM 0 H VAL A 100 -1.481 -4.982 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.059 -7.240 -7.072 1.00 0.00 H new ATOM 0 HB VAL A 100 0.835 -4.404 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.339 -4.864 -8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.656 -5.946 -7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.762 -6.547 -8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.068 -3.974 -8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.637 -5.607 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.278 -4.404 -7.839 1.00 0.00 H new ATOM 1586 N LEU A 101 0.644 -6.174 -4.099 1.00 0.00 N ATOM 1587 CA LEU A 101 1.415 -6.456 -2.900 1.00 0.00 C ATOM 1588 C LEU A 101 1.356 -7.956 -2.602 1.00 0.00 C ATOM 1589 O LEU A 101 2.321 -8.532 -2.103 1.00 0.00 O ATOM 1590 CB LEU A 101 0.941 -5.580 -1.739 1.00 0.00 C ATOM 1591 CG LEU A 101 1.190 -6.134 -0.334 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.491 -5.582 0.250 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.008 -5.867 0.580 1.00 0.00 C ATOM 0 H LEU A 101 -0.109 -5.498 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 101 2.464 -6.201 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.432 -4.610 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.129 -5.406 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 101 1.304 -7.215 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.644 -5.991 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.326 -5.865 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.431 -4.495 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.194 -6.270 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.178 -4.793 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.895 -6.347 0.167 1.00 0.00 H new ATOM 1605 N LEU A 102 0.213 -8.545 -2.920 1.00 0.00 N ATOM 1606 CA LEU A 102 0.015 -9.967 -2.693 1.00 0.00 C ATOM 1607 C LEU A 102 0.669 -10.756 -3.829 1.00 0.00 C ATOM 1608 O LEU A 102 1.107 -11.888 -3.631 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.471 -10.277 -2.505 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.151 -9.605 -1.310 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.115 -9.086 -0.311 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.106 -8.503 -1.771 1.00 0.00 C ATOM 0 H LEU A 102 -0.586 -8.064 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 102 0.501 -10.277 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.000 -9.983 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.587 -11.356 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.751 -10.354 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.624 -8.613 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.512 -9.918 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.470 -8.357 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.576 -8.042 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.549 -7.748 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.874 -8.933 -2.414 1.00 0.00 H new ATOM 1624 N ARG A 103 0.714 -10.127 -4.994 1.00 0.00 N ATOM 1625 CA ARG A 103 1.308 -10.757 -6.162 1.00 0.00 C ATOM 1626 C ARG A 103 2.779 -11.083 -5.899 1.00 0.00 C ATOM 1627 O ARG A 103 3.217 -12.211 -6.119 1.00 0.00 O ATOM 1628 CB ARG A 103 1.205 -9.849 -7.389 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.256 -9.540 -7.722 1.00 0.00 C ATOM 1630 CD ARG A 103 -0.999 -10.807 -8.153 1.00 0.00 C ATOM 1631 NE ARG A 103 -0.159 -11.595 -9.082 1.00 0.00 N ATOM 1632 CZ ARG A 103 -0.285 -12.916 -9.272 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -1.218 -13.603 -8.599 1.00 0.00 N ATOM 1634 NH2 ARG A 103 0.521 -13.549 -10.135 1.00 0.00 N ATOM 0 H ARG A 103 0.349 -9.188 -5.155 1.00 0.00 H new ATOM 0 HA ARG A 103 0.758 -11.678 -6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.744 -8.920 -7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.682 -10.330 -8.243 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.747 -9.104 -6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.302 -8.798 -8.519 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.249 -11.407 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.939 -10.541 -8.636 1.00 0.00 H new ATOM 0 HE ARG A 103 0.561 -11.102 -9.611 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.832 -13.121 -7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.314 -14.608 -8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.231 -13.026 -10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 103 0.425 -14.554 -10.279 1.00 0.00 H new ATOM 1648 N ARG A 104 3.501 -10.075 -5.432 1.00 0.00 N ATOM 1649 CA ARG A 104 4.914 -10.241 -5.136 1.00 0.00 C ATOM 1650 C ARG A 104 5.099 -11.134 -3.908 1.00 0.00 C ATOM 1651 O ARG A 104 5.950 -12.022 -3.904 1.00 0.00 O ATOM 1652 CB ARG A 104 5.586 -8.890 -4.882 1.00 0.00 C ATOM 1653 CG ARG A 104 4.987 -8.203 -3.653 1.00 0.00 C ATOM 1654 CD ARG A 104 5.316 -6.709 -3.645 1.00 0.00 C ATOM 1655 NE ARG A 104 6.381 -6.431 -2.656 1.00 0.00 N ATOM 1656 CZ ARG A 104 6.799 -5.201 -2.327 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.244 -4.128 -2.907 1.00 0.00 N ATOM 1658 NH2 ARG A 104 7.772 -5.044 -1.419 1.00 0.00 N ATOM 0 H ARG A 104 3.134 -9.141 -5.251 1.00 0.00 H new ATOM 0 HA ARG A 104 5.381 -10.709 -6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.657 -9.034 -4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.466 -8.250 -5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.906 -8.341 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.374 -8.669 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.639 -6.394 -4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.423 -6.133 -3.402 1.00 0.00 H new ATOM 0 HE ARG A 104 6.825 -7.226 -2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.504 -4.248 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.562 -3.192 -2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.195 -5.861 -0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.090 -4.108 -1.169 1.00 0.00 H new ATOM 1672 N GLN A 105 4.287 -10.868 -2.895 1.00 0.00 N ATOM 1673 CA GLN A 105 4.350 -11.636 -1.664 1.00 0.00 C ATOM 1674 C GLN A 105 4.415 -13.133 -1.975 1.00 0.00 C ATOM 1675 O GLN A 105 5.501 -13.694 -2.118 1.00 0.00 O ATOM 1676 CB GLN A 105 3.160 -11.317 -0.757 1.00 0.00 C ATOM 1677 CG GLN A 105 3.491 -10.167 0.197 1.00 0.00 C ATOM 1678 CD GLN A 105 2.566 -10.182 1.416 1.00 0.00 C ATOM 1679 OE1 GLN A 105 1.711 -11.039 1.568 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.784 -9.188 2.272 1.00 0.00 N ATOM 0 H GLN A 105 3.582 -10.131 -2.902 1.00 0.00 H new ATOM 0 HA GLN A 105 5.258 -11.355 -1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.295 -11.052 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.887 -12.203 -0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.528 -10.247 0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.393 -9.216 -0.326 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.517 -8.504 2.083 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.218 -9.110 3.117 1.00 0.00 H new ATOM 1689 N ALA A 106 3.240 -13.737 -2.070 1.00 0.00 N ATOM 1690 CA ALA A 106 3.151 -15.158 -2.361 1.00 0.00 C ATOM 1691 C ALA A 106 3.295 -15.951 -1.061 1.00 0.00 C ATOM 1692 O ALA A 106 2.502 -16.851 -0.787 1.00 0.00 O ATOM 1693 CB ALA A 106 4.213 -15.535 -3.396 1.00 0.00 C ATOM 0 H ALA A 106 2.342 -13.269 -1.951 1.00 0.00 H new ATOM 0 HA ALA A 106 2.179 -15.402 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.146 -16.601 -3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.047 -14.966 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.203 -15.307 -3.001 1.00 0.00 H new ATOM 1699 N GLN A 107 4.313 -15.588 -0.294 1.00 0.00 N ATOM 1700 CA GLN A 107 4.571 -16.255 0.971 1.00 0.00 C ATOM 1701 C GLN A 107 4.602 -15.235 2.111 1.00 0.00 C ATOM 1702 O GLN A 107 4.070 -15.490 3.191 1.00 0.00 O ATOM 1703 CB GLN A 107 5.875 -17.053 0.914 1.00 0.00 C ATOM 1704 CG GLN A 107 5.746 -18.248 -0.033 1.00 0.00 C ATOM 1705 CD GLN A 107 6.954 -19.178 0.090 1.00 0.00 C ATOM 1706 OE1 GLN A 107 6.865 -20.292 0.580 1.00 0.00 O ATOM 1707 NE2 GLN A 107 8.085 -18.661 -0.382 1.00 0.00 N ATOM 0 H GLN A 107 4.968 -14.841 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 107 3.761 -16.959 1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.687 -16.406 0.581 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.135 -17.403 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.834 -18.799 0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.658 -17.895 -1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.090 -17.722 -0.779 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.948 -19.204 -0.347 1.00 0.00 H new ATOM 1716 N GLN A 108 5.230 -14.103 1.833 1.00 0.00 N ATOM 1717 CA GLN A 108 5.337 -13.044 2.822 1.00 0.00 C ATOM 1718 C GLN A 108 4.048 -12.949 3.640 1.00 0.00 C ATOM 1719 O GLN A 108 4.088 -12.928 4.870 1.00 0.00 O ATOM 1720 CB GLN A 108 5.665 -11.705 2.159 1.00 0.00 C ATOM 1721 CG GLN A 108 6.993 -11.147 2.676 1.00 0.00 C ATOM 1722 CD GLN A 108 7.329 -9.817 1.999 1.00 0.00 C ATOM 1723 OE1 GLN A 108 6.905 -8.752 2.418 1.00 0.00 O ATOM 1724 NE2 GLN A 108 8.114 -9.936 0.932 1.00 0.00 N ATOM 0 H GLN A 108 5.670 -13.895 0.937 1.00 0.00 H new ATOM 0 HA GLN A 108 6.156 -13.287 3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.717 -11.834 1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 108 4.865 -10.992 2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 108 6.937 -11.006 3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.791 -11.866 2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 108 8.434 -10.858 0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.396 -9.106 0.411 1.00 0.00 H new ATOM 1733 N ALA A 109 2.934 -12.895 2.925 1.00 0.00 N ATOM 1734 CA ALA A 109 1.635 -12.803 3.569 1.00 0.00 C ATOM 1735 C ALA A 109 1.608 -13.727 4.789 1.00 0.00 C ATOM 1736 O ALA A 109 1.329 -13.284 5.902 1.00 0.00 O ATOM 1737 CB ALA A 109 0.538 -13.142 2.558 1.00 0.00 C ATOM 0 H ALA A 109 2.904 -12.913 1.906 1.00 0.00 H new ATOM 0 HA ALA A 109 1.453 -11.787 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.436 -13.073 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.581 -12.440 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.687 -14.155 2.185 1.00 0.00 H new ATOM 1743 N GLY A 110 1.903 -14.994 4.538 1.00 0.00 N ATOM 1744 CA GLY A 110 1.917 -15.984 5.601 1.00 0.00 C ATOM 1745 C GLY A 110 2.184 -17.384 5.044 1.00 0.00 C ATOM 1746 O GLY A 110 3.298 -17.895 5.147 1.00 0.00 O ATOM 0 H GLY A 110 2.134 -15.358 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 110 2.684 -15.727 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.961 -15.974 6.125 1.00 0.00 H new ATOM 1750 N LYS A 111 1.143 -17.964 4.465 1.00 0.00 N ATOM 1751 CA LYS A 111 1.251 -19.295 3.891 1.00 0.00 C ATOM 1752 C LYS A 111 1.192 -19.194 2.366 1.00 0.00 C ATOM 1753 O LYS A 111 2.196 -19.404 1.687 1.00 0.00 O ATOM 1754 CB LYS A 111 0.191 -20.224 4.488 1.00 0.00 C ATOM 1755 CG LYS A 111 -1.209 -19.838 4.006 1.00 0.00 C ATOM 1756 CD LYS A 111 -2.279 -20.329 4.984 1.00 0.00 C ATOM 1757 CE LYS A 111 -3.433 -21.003 4.239 1.00 0.00 C ATOM 1758 NZ LYS A 111 -3.398 -22.469 4.446 1.00 0.00 N ATOM 0 H LYS A 111 0.221 -17.537 4.381 1.00 0.00 H new ATOM 0 HA LYS A 111 2.212 -19.742 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.405 -21.255 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.231 -20.176 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.276 -18.755 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -1.389 -20.265 3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.837 -21.032 5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.658 -19.489 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -4.384 -20.603 4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.367 -20.778 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.188 -22.911 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.498 -22.849 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.483 -22.678 5.461 1.00 0.00 H new TER 1772 LYS A 111