USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 669 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 13 ASN : amide:sc= -0.0207 K(o=-0.021,f=-2.7!) USER MOD Single : A 15 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.0097) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.0037) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= -0.0683 (180deg=-0.475) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0916) USER MOD Single : A 35 SER OG : rot -36:sc= 0.628 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 40 ASN : amide:sc= -2.69! K(o=-2.7!,f=-0.72) USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= 0.14 (180deg=-0.363) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -161:sc= -0.094 (180deg=-0.563) USER MOD Single : A 45 SER OG : rot 108:sc= 0.833 USER MOD Single : A 47 GLN : amide:sc= -3.06 X(o=-3.1,f=-3.4!) USER MOD Single : A 48 CYS SG : rot 12:sc= -3.65! USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.694) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -3.07! K(o=-3.1!,f=-0.23) USER MOD Single : A 54 THR OG1 : rot 127:sc= 1.17 USER MOD Single : A 57 CYS SG : rot 180:sc= 0.0849 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00389 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 150:sc= -2.8! USER MOD Single : A 67 HIS : no HE2:sc= -2.25 K(o=-2.3,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00254) USER MOD Single : A 72 HIS : no HE2:sc= 0.947 K(o=0.95,f=-6.1!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.746 K(o=-0.75,f=-1.7!) USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00312) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.623 -1.349 18.524 1.00 19.14 N ATOM 2 CA GLY A 1 35.828 -0.260 17.950 1.00 18.53 C ATOM 3 C GLY A 1 34.762 -0.739 16.998 1.00 18.04 C ATOM 4 O GLY A 1 33.605 -0.786 17.367 1.00 17.99 O ATOM 0 H1 GLY A 1 37.337 -0.955 19.169 1.00 19.14 H new ATOM 0 H2 GLY A 1 36.000 -1.994 19.050 1.00 19.14 H new ATOM 0 H3 GLY A 1 37.097 -1.872 17.761 1.00 19.14 H new ATOM 0 HA2 GLY A 1 35.359 0.303 18.757 1.00 18.53 H new ATOM 0 HA3 GLY A 1 36.491 0.428 17.426 1.00 18.53 H new ATOM 10 N HIS A 2 35.177 -1.157 15.782 1.00 17.81 N ATOM 11 CA HIS A 2 34.259 -1.511 14.659 1.00 17.49 C ATOM 12 C HIS A 2 33.764 -0.250 13.997 1.00 16.98 C ATOM 13 O HIS A 2 33.191 0.613 14.634 1.00 17.17 O ATOM 14 CB HIS A 2 33.056 -2.415 15.044 1.00 17.97 C ATOM 15 CG HIS A 2 33.402 -3.796 15.486 1.00 18.64 C ATOM 16 ND1 HIS A 2 33.145 -4.916 14.715 1.00 19.07 N ATOM 17 CD2 HIS A 2 33.933 -4.254 16.643 1.00 19.08 C ATOM 18 CE1 HIS A 2 33.516 -5.996 15.377 1.00 19.72 C ATOM 19 NE2 HIS A 2 33.993 -5.617 16.554 1.00 19.74 N ATOM 0 H HIS A 2 36.163 -1.261 15.543 1.00 17.81 H new ATOM 0 HA HIS A 2 34.856 -2.112 13.973 1.00 17.49 H new ATOM 0 HB2 HIS A 2 32.499 -1.926 15.843 1.00 17.97 H new ATOM 0 HB3 HIS A 2 32.388 -2.484 14.186 1.00 17.97 H new ATOM 0 HD2 HIS A 2 34.251 -3.653 17.482 1.00 19.08 H new ATOM 0 HE1 HIS A 2 33.443 -7.013 15.021 1.00 19.72 H new ATOM 0 HE2 HIS A 2 34.348 -6.242 17.278 1.00 19.74 H new ATOM 28 N HIS A 3 33.987 -0.139 12.729 1.00 16.46 N ATOM 29 CA HIS A 3 33.673 1.071 12.013 1.00 16.07 C ATOM 30 C HIS A 3 32.784 0.771 10.798 1.00 15.28 C ATOM 31 O HIS A 3 33.269 0.328 9.763 1.00 15.31 O ATOM 32 CB HIS A 3 34.994 1.740 11.605 1.00 16.31 C ATOM 33 CG HIS A 3 34.882 2.968 10.774 1.00 16.79 C ATOM 34 ND1 HIS A 3 35.189 2.984 9.434 1.00 17.14 N ATOM 35 CD2 HIS A 3 34.546 4.229 11.099 1.00 17.13 C ATOM 36 CE1 HIS A 3 35.055 4.204 8.969 1.00 17.67 C ATOM 37 NE2 HIS A 3 34.664 4.977 9.963 1.00 17.67 N ATOM 0 H HIS A 3 34.391 -0.878 12.154 1.00 16.46 H new ATOM 0 HA HIS A 3 33.107 1.752 12.649 1.00 16.07 H new ATOM 0 HB2 HIS A 3 35.545 1.990 12.512 1.00 16.31 H new ATOM 0 HB3 HIS A 3 35.592 1.011 11.059 1.00 16.31 H new ATOM 0 HD2 HIS A 3 34.241 4.583 12.073 1.00 17.13 H new ATOM 0 HE1 HIS A 3 35.234 4.519 7.952 1.00 17.67 H new ATOM 0 HE2 HIS A 3 34.479 5.978 9.894 1.00 17.67 H new ATOM 46 N HIS A 4 31.479 0.967 10.950 1.00 14.74 N ATOM 47 CA HIS A 4 30.528 0.754 9.855 1.00 14.10 C ATOM 48 C HIS A 4 29.178 1.423 10.154 1.00 13.70 C ATOM 49 O HIS A 4 28.387 0.925 10.958 1.00 14.01 O ATOM 50 CB HIS A 4 30.339 -0.771 9.567 1.00 13.88 C ATOM 51 CG HIS A 4 29.416 -1.095 8.408 1.00 13.85 C ATOM 52 ND1 HIS A 4 28.187 -1.702 8.564 1.00 14.10 N ATOM 53 CD2 HIS A 4 29.570 -0.913 7.072 1.00 13.80 C ATOM 54 CE1 HIS A 4 27.631 -1.885 7.380 1.00 14.18 C ATOM 55 NE2 HIS A 4 28.448 -1.414 6.456 1.00 14.00 N ATOM 0 H HIS A 4 31.050 1.274 11.823 1.00 14.74 H new ATOM 0 HA HIS A 4 30.942 1.220 8.961 1.00 14.10 H new ATOM 0 HB2 HIS A 4 31.316 -1.212 9.368 1.00 13.88 H new ATOM 0 HB3 HIS A 4 29.951 -1.250 10.466 1.00 13.88 H new ATOM 0 HD2 HIS A 4 30.418 -0.458 6.583 1.00 13.80 H new ATOM 0 HE1 HIS A 4 26.670 -2.343 7.198 1.00 14.18 H new ATOM 0 HE2 HIS A 4 28.275 -1.421 5.451 1.00 14.00 H new ATOM 64 N HIS A 5 28.936 2.560 9.534 1.00 13.18 N ATOM 65 CA HIS A 5 27.637 3.233 9.662 1.00 12.93 C ATOM 66 C HIS A 5 26.670 2.731 8.608 1.00 12.32 C ATOM 67 O HIS A 5 27.065 1.996 7.717 1.00 12.40 O ATOM 68 CB HIS A 5 27.737 4.767 9.572 1.00 13.06 C ATOM 69 CG HIS A 5 28.245 5.468 10.802 1.00 13.43 C ATOM 70 ND1 HIS A 5 29.381 6.233 10.822 1.00 13.64 N ATOM 71 CD2 HIS A 5 27.703 5.586 12.033 1.00 13.81 C ATOM 72 CE1 HIS A 5 29.518 6.795 12.006 1.00 14.12 C ATOM 73 NE2 HIS A 5 28.508 6.418 12.763 1.00 14.24 N ATOM 0 H HIS A 5 29.609 3.043 8.938 1.00 13.18 H new ATOM 0 HA HIS A 5 27.268 2.988 10.658 1.00 12.93 H new ATOM 0 HB2 HIS A 5 28.391 5.020 8.738 1.00 13.06 H new ATOM 0 HB3 HIS A 5 26.749 5.162 9.334 1.00 13.06 H new ATOM 0 HD2 HIS A 5 26.798 5.110 12.379 1.00 13.81 H new ATOM 0 HE1 HIS A 5 30.321 7.452 12.305 1.00 14.12 H new ATOM 0 HE2 HIS A 5 28.352 6.699 13.731 1.00 14.24 H new ATOM 82 N HIS A 6 25.395 3.158 8.722 1.00 11.88 N ATOM 83 CA HIS A 6 24.302 2.781 7.790 1.00 11.42 C ATOM 84 C HIS A 6 23.908 1.306 7.911 1.00 10.42 C ATOM 85 O HIS A 6 24.710 0.412 7.678 1.00 10.22 O ATOM 86 CB HIS A 6 24.606 3.135 6.311 1.00 11.97 C ATOM 87 CG HIS A 6 24.769 4.614 6.026 1.00 12.55 C ATOM 88 ND1 HIS A 6 23.724 5.446 5.640 1.00 12.82 N ATOM 89 CD2 HIS A 6 25.876 5.399 6.052 1.00 13.11 C ATOM 90 CE1 HIS A 6 24.193 6.665 5.442 1.00 13.49 C ATOM 91 NE2 HIS A 6 25.489 6.659 5.685 1.00 13.67 N ATOM 0 H HIS A 6 25.088 3.780 9.470 1.00 11.88 H new ATOM 0 HA HIS A 6 23.451 3.387 8.101 1.00 11.42 H new ATOM 0 HB2 HIS A 6 25.518 2.620 6.010 1.00 11.97 H new ATOM 0 HB3 HIS A 6 23.801 2.747 5.688 1.00 11.97 H new ATOM 0 HD2 HIS A 6 26.876 5.087 6.314 1.00 13.11 H new ATOM 0 HE1 HIS A 6 23.613 7.522 5.133 1.00 13.49 H new ATOM 0 HE2 HIS A 6 26.107 7.467 5.611 1.00 13.67 H new ATOM 100 N HIS A 7 22.676 1.090 8.325 1.00 9.98 N ATOM 101 CA HIS A 7 22.054 -0.249 8.410 1.00 9.18 C ATOM 102 C HIS A 7 20.602 -0.059 8.845 1.00 9.04 C ATOM 103 O HIS A 7 19.955 -0.964 9.331 1.00 9.71 O ATOM 104 CB HIS A 7 22.802 -1.210 9.410 1.00 9.12 C ATOM 105 CG HIS A 7 22.782 -0.806 10.879 1.00 9.44 C ATOM 106 ND1 HIS A 7 23.844 -0.187 11.516 1.00 9.56 N ATOM 107 CD2 HIS A 7 21.828 -0.971 11.839 1.00 9.92 C ATOM 108 CE1 HIS A 7 23.541 -0.001 12.798 1.00 10.08 C ATOM 109 NE2 HIS A 7 22.331 -0.464 13.006 1.00 10.30 N ATOM 0 H HIS A 7 22.054 1.842 8.621 1.00 9.98 H new ATOM 0 HA HIS A 7 22.117 -0.726 7.432 1.00 9.18 H new ATOM 0 HB2 HIS A 7 22.362 -2.204 9.323 1.00 9.12 H new ATOM 0 HB3 HIS A 7 23.841 -1.292 9.092 1.00 9.12 H new ATOM 0 HD2 HIS A 7 20.855 -1.419 11.703 1.00 9.92 H new ATOM 0 HE1 HIS A 7 24.181 0.453 13.540 1.00 10.08 H new ATOM 0 HE2 HIS A 7 21.841 -0.448 13.900 1.00 10.30 H new ATOM 118 N LEU A 8 20.104 1.131 8.613 1.00 8.37 N ATOM 119 CA LEU A 8 18.813 1.535 9.078 1.00 8.37 C ATOM 120 C LEU A 8 18.405 2.785 8.358 1.00 8.86 C ATOM 121 O LEU A 8 19.231 3.356 7.646 1.00 9.23 O ATOM 122 CB LEU A 8 18.811 1.726 10.641 1.00 9.01 C ATOM 123 CG LEU A 8 19.915 2.622 11.308 1.00 9.38 C ATOM 124 CD1 LEU A 8 19.848 4.089 10.882 1.00 9.11 C ATOM 125 CD2 LEU A 8 19.818 2.520 12.825 1.00 10.10 C ATOM 0 H LEU A 8 20.597 1.852 8.087 1.00 8.37 H new ATOM 0 HA LEU A 8 18.083 0.755 8.861 1.00 8.37 H new ATOM 0 HB2 LEU A 8 17.842 2.140 10.919 1.00 9.01 H new ATOM 0 HB3 LEU A 8 18.876 0.736 11.092 1.00 9.01 H new ATOM 0 HG LEU A 8 20.875 2.240 10.961 1.00 9.38 H new ATOM 0 HD11 LEU A 8 20.639 4.649 11.381 1.00 9.11 H new ATOM 0 HD12 LEU A 8 19.978 4.161 9.802 1.00 9.11 H new ATOM 0 HD13 LEU A 8 18.879 4.504 11.159 1.00 9.11 H new ATOM 0 HD21 LEU A 8 20.587 3.144 13.281 1.00 10.10 H new ATOM 0 HD22 LEU A 8 18.835 2.859 13.150 1.00 10.10 H new ATOM 0 HD23 LEU A 8 19.963 1.484 13.130 1.00 10.10 H new ATOM 137 N GLU A 9 17.153 3.205 8.575 1.00 9.12 N ATOM 138 CA GLU A 9 16.586 4.424 7.988 1.00 9.86 C ATOM 139 C GLU A 9 16.463 4.295 6.455 1.00 9.89 C ATOM 140 O GLU A 9 17.424 4.453 5.715 1.00 10.56 O ATOM 141 CB GLU A 9 17.411 5.681 8.385 1.00 10.56 C ATOM 142 CG GLU A 9 16.773 6.999 7.969 1.00 11.13 C ATOM 143 CD GLU A 9 17.648 8.198 8.283 1.00 11.53 C ATOM 144 OE1 GLU A 9 17.837 8.499 9.484 1.00 11.87 O ATOM 145 OE2 GLU A 9 18.137 8.847 7.342 1.00 11.70 O ATOM 0 H GLU A 9 16.497 2.701 9.171 1.00 9.12 H new ATOM 0 HA GLU A 9 15.582 4.551 8.393 1.00 9.86 H new ATOM 0 HB2 GLU A 9 17.553 5.683 9.466 1.00 10.56 H new ATOM 0 HB3 GLU A 9 18.401 5.610 7.934 1.00 10.56 H new ATOM 0 HG2 GLU A 9 16.566 6.976 6.899 1.00 11.13 H new ATOM 0 HG3 GLU A 9 15.815 7.111 8.477 1.00 11.13 H new ATOM 152 N GLY A 10 15.268 3.977 5.989 1.00 9.36 N ATOM 153 CA GLY A 10 15.069 3.814 4.578 1.00 9.60 C ATOM 154 C GLY A 10 13.872 2.966 4.256 1.00 8.87 C ATOM 155 O GLY A 10 12.749 3.324 4.622 1.00 9.04 O ATOM 0 H GLY A 10 14.439 3.830 6.564 1.00 9.36 H new ATOM 0 HA2 GLY A 10 14.950 4.794 4.116 1.00 9.60 H new ATOM 0 HA3 GLY A 10 15.958 3.361 4.140 1.00 9.60 H new ATOM 159 N GLY A 11 14.119 1.836 3.604 1.00 8.30 N ATOM 160 CA GLY A 11 13.078 0.923 3.142 1.00 7.80 C ATOM 161 C GLY A 11 12.101 0.458 4.214 1.00 8.13 C ATOM 162 O GLY A 11 10.927 0.227 3.918 1.00 8.45 O ATOM 0 H GLY A 11 15.063 1.523 3.377 1.00 8.30 H new ATOM 0 HA2 GLY A 11 12.515 1.412 2.347 1.00 7.80 H new ATOM 0 HA3 GLY A 11 13.554 0.047 2.702 1.00 7.80 H new ATOM 166 N GLY A 12 12.561 0.334 5.443 1.00 8.34 N ATOM 167 CA GLY A 12 11.685 -0.149 6.489 1.00 8.95 C ATOM 168 C GLY A 12 12.235 0.055 7.875 1.00 8.79 C ATOM 169 O GLY A 12 11.606 0.731 8.690 1.00 9.24 O ATOM 0 H GLY A 12 13.512 0.555 5.737 1.00 8.34 H new ATOM 0 HA2 GLY A 12 10.724 0.359 6.410 1.00 8.95 H new ATOM 0 HA3 GLY A 12 11.498 -1.212 6.334 1.00 8.95 H new ATOM 173 N ASN A 13 13.433 -0.497 8.115 1.00 8.39 N ATOM 174 CA ASN A 13 14.111 -0.500 9.452 1.00 8.53 C ATOM 175 C ASN A 13 13.367 -1.476 10.417 1.00 9.29 C ATOM 176 O ASN A 13 12.234 -1.902 10.141 1.00 9.68 O ATOM 177 CB ASN A 13 14.206 0.939 10.072 1.00 8.84 C ATOM 178 CG ASN A 13 15.024 0.985 11.364 1.00 9.25 C ATOM 179 OD1 ASN A 13 15.968 0.232 11.527 1.00 9.50 O ATOM 180 ND2 ASN A 13 14.656 1.848 12.291 1.00 9.58 N ATOM 0 H ASN A 13 13.977 -0.963 7.389 1.00 8.39 H new ATOM 0 HA ASN A 13 15.135 -0.846 9.309 1.00 8.53 H new ATOM 0 HB2 ASN A 13 14.653 1.613 9.342 1.00 8.84 H new ATOM 0 HB3 ASN A 13 13.200 1.308 10.273 1.00 8.84 H new ATOM 0 HD21 ASN A 13 15.166 1.898 13.173 1.00 9.58 H new ATOM 0 HD22 ASN A 13 13.861 2.466 12.126 1.00 9.58 H new ATOM 187 N ALA A 14 14.005 -1.850 11.511 1.00 9.70 N ATOM 188 CA ALA A 14 13.407 -2.754 12.471 1.00 10.58 C ATOM 189 C ALA A 14 13.931 -2.467 13.867 1.00 11.08 C ATOM 190 O ALA A 14 15.099 -2.708 14.159 1.00 11.12 O ATOM 191 CB ALA A 14 13.695 -4.199 12.094 1.00 10.70 C ATOM 0 H ALA A 14 14.945 -1.538 11.756 1.00 9.70 H new ATOM 0 HA ALA A 14 12.328 -2.598 12.461 1.00 10.58 H new ATOM 0 HB1 ALA A 14 13.238 -4.864 12.827 1.00 10.70 H new ATOM 0 HB2 ALA A 14 13.281 -4.407 11.107 1.00 10.70 H new ATOM 0 HB3 ALA A 14 14.772 -4.363 12.078 1.00 10.70 H new ATOM 197 N GLN A 15 13.068 -1.991 14.739 1.00 11.67 N ATOM 198 CA GLN A 15 13.489 -1.629 16.103 1.00 12.40 C ATOM 199 C GLN A 15 13.612 -2.829 17.019 1.00 12.25 C ATOM 200 O GLN A 15 13.829 -2.688 18.206 1.00 12.05 O ATOM 201 CB GLN A 15 12.603 -0.543 16.713 1.00 13.27 C ATOM 202 CG GLN A 15 12.612 0.786 15.942 1.00 13.75 C ATOM 203 CD GLN A 15 11.788 1.877 16.621 1.00 14.68 C ATOM 204 OE1 GLN A 15 11.224 2.763 15.957 1.00 15.07 O ATOM 205 NE2 GLN A 15 11.733 1.841 17.934 1.00 15.18 N ATOM 0 H GLN A 15 12.078 -1.842 14.545 1.00 11.67 H new ATOM 0 HA GLN A 15 14.491 -1.211 16.004 1.00 12.40 H new ATOM 0 HB2 GLN A 15 11.579 -0.913 16.765 1.00 13.27 H new ATOM 0 HB3 GLN A 15 12.928 -0.358 17.737 1.00 13.27 H new ATOM 0 HG2 GLN A 15 13.641 1.130 15.834 1.00 13.75 H new ATOM 0 HG3 GLN A 15 12.225 0.619 14.937 1.00 13.75 H new ATOM 0 HE21 GLN A 15 12.209 1.097 18.444 1.00 15.18 H new ATOM 0 HE22 GLN A 15 11.214 2.557 18.443 1.00 15.18 H new ATOM 214 N LYS A 16 13.481 -4.000 16.466 1.00 12.53 N ATOM 215 CA LYS A 16 13.746 -5.205 17.220 1.00 12.66 C ATOM 216 C LYS A 16 15.224 -5.543 17.157 1.00 11.86 C ATOM 217 O LYS A 16 15.664 -6.499 17.781 1.00 12.01 O ATOM 218 CB LYS A 16 12.925 -6.414 16.731 1.00 12.80 C ATOM 219 CG LYS A 16 11.460 -6.490 17.196 1.00 13.55 C ATOM 220 CD LYS A 16 10.565 -5.383 16.670 1.00 14.34 C ATOM 221 CE LYS A 16 9.137 -5.634 17.138 1.00 15.06 C ATOM 222 NZ LYS A 16 8.164 -4.646 16.627 1.00 15.42 N ATOM 0 H LYS A 16 13.194 -4.153 15.499 1.00 12.53 H new ATOM 0 HA LYS A 16 13.445 -5.002 18.248 1.00 12.66 H new ATOM 0 HB2 LYS A 16 12.936 -6.414 15.641 1.00 12.80 H new ATOM 0 HB3 LYS A 16 13.432 -7.323 17.055 1.00 12.80 H new ATOM 0 HG2 LYS A 16 11.045 -7.450 16.888 1.00 13.55 H new ATOM 0 HG3 LYS A 16 11.438 -6.468 18.286 1.00 13.55 H new ATOM 0 HD2 LYS A 16 10.914 -4.415 17.029 1.00 14.34 H new ATOM 0 HD3 LYS A 16 10.604 -5.353 15.581 1.00 14.34 H new ATOM 0 HE2 LYS A 16 8.830 -6.631 16.822 1.00 15.06 H new ATOM 0 HE3 LYS A 16 9.114 -5.624 18.228 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 7.215 -4.877 16.984 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 8.433 -3.695 16.950 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 8.158 -4.670 15.587 1.00 15.42 H new ATOM 236 N SER A 17 15.980 -4.763 16.354 1.00 11.21 N ATOM 237 CA SER A 17 17.450 -4.902 16.158 1.00 10.50 C ATOM 238 C SER A 17 17.821 -6.168 15.340 1.00 10.66 C ATOM 239 O SER A 17 18.728 -6.152 14.522 1.00 10.17 O ATOM 240 CB SER A 17 18.185 -4.864 17.505 1.00 10.42 C ATOM 241 OG SER A 17 17.845 -3.681 18.216 1.00 10.72 O ATOM 0 H SER A 17 15.581 -3.999 15.808 1.00 11.21 H new ATOM 0 HA SER A 17 17.780 -4.047 15.567 1.00 10.50 H new ATOM 0 HB2 SER A 17 17.921 -5.741 18.096 1.00 10.42 H new ATOM 0 HB3 SER A 17 19.262 -4.902 17.341 1.00 10.42 H new ATOM 0 HG SER A 17 18.318 -3.668 19.074 1.00 10.72 H new ATOM 247 N ALA A 18 17.064 -7.224 15.544 1.00 11.52 N ATOM 248 CA ALA A 18 17.299 -8.526 14.911 1.00 11.99 C ATOM 249 C ALA A 18 17.172 -8.466 13.379 1.00 11.45 C ATOM 250 O ALA A 18 17.850 -9.205 12.661 1.00 11.42 O ATOM 251 CB ALA A 18 16.328 -9.551 15.484 1.00 13.14 C ATOM 0 H ALA A 18 16.253 -7.213 16.162 1.00 11.52 H new ATOM 0 HA ALA A 18 18.325 -8.822 15.130 1.00 11.99 H new ATOM 0 HB1 ALA A 18 16.502 -10.519 15.014 1.00 13.14 H new ATOM 0 HB2 ALA A 18 16.482 -9.637 16.560 1.00 13.14 H new ATOM 0 HB3 ALA A 18 15.304 -9.231 15.289 1.00 13.14 H new ATOM 257 N MET A 19 16.318 -7.590 12.889 1.00 11.20 N ATOM 258 CA MET A 19 16.095 -7.475 11.452 1.00 10.90 C ATOM 259 C MET A 19 16.710 -6.203 10.896 1.00 9.99 C ATOM 260 O MET A 19 16.422 -5.812 9.769 1.00 9.63 O ATOM 261 CB MET A 19 14.597 -7.531 11.119 1.00 11.94 C ATOM 262 CG MET A 19 13.924 -8.859 11.442 1.00 12.49 C ATOM 263 SD MET A 19 14.638 -10.241 10.515 1.00 13.40 S ATOM 264 CE MET A 19 13.623 -11.593 11.112 1.00 14.08 C ATOM 0 H MET A 19 15.766 -6.947 13.458 1.00 11.20 H new ATOM 0 HA MET A 19 16.586 -8.325 10.979 1.00 10.90 H new ATOM 0 HB2 MET A 19 14.087 -6.738 11.666 1.00 11.94 H new ATOM 0 HB3 MET A 19 14.466 -7.321 10.057 1.00 11.94 H new ATOM 0 HG2 MET A 19 14.013 -9.058 12.510 1.00 12.49 H new ATOM 0 HG3 MET A 19 12.860 -8.787 11.219 1.00 12.49 H new ATOM 0 HE1 MET A 19 13.937 -12.522 10.635 1.00 14.08 H new ATOM 0 HE2 MET A 19 13.736 -11.684 12.192 1.00 14.08 H new ATOM 0 HE3 MET A 19 12.578 -11.397 10.872 1.00 14.08 H new ATOM 274 N ALA A 20 17.628 -5.602 11.652 1.00 9.77 N ATOM 275 CA ALA A 20 18.287 -4.334 11.243 1.00 9.13 C ATOM 276 C ALA A 20 19.409 -4.584 10.221 1.00 8.17 C ATOM 277 O ALA A 20 20.277 -3.744 9.992 1.00 7.84 O ATOM 278 CB ALA A 20 18.829 -3.622 12.468 1.00 9.45 C ATOM 0 H ALA A 20 17.941 -5.962 12.553 1.00 9.77 H new ATOM 0 HA ALA A 20 17.542 -3.702 10.759 1.00 9.13 H new ATOM 0 HB1 ALA A 20 19.312 -2.693 12.165 1.00 9.45 H new ATOM 0 HB2 ALA A 20 18.010 -3.399 13.152 1.00 9.45 H new ATOM 0 HB3 ALA A 20 19.556 -4.262 12.969 1.00 9.45 H new ATOM 284 N ARG A 21 19.363 -5.737 9.612 1.00 7.98 N ATOM 285 CA ARG A 21 20.297 -6.113 8.578 1.00 7.29 C ATOM 286 C ARG A 21 19.545 -6.799 7.441 1.00 7.26 C ATOM 287 O ARG A 21 20.139 -7.302 6.503 1.00 7.10 O ATOM 288 CB ARG A 21 21.368 -7.046 9.142 1.00 7.43 C ATOM 289 CG ARG A 21 20.811 -8.324 9.773 1.00 8.11 C ATOM 290 CD ARG A 21 21.925 -9.262 10.206 1.00 8.51 C ATOM 291 NE ARG A 21 22.705 -9.763 9.054 1.00 8.99 N ATOM 292 CZ ARG A 21 23.898 -10.383 9.130 1.00 9.65 C ATOM 293 NH1 ARG A 21 24.483 -10.586 10.311 1.00 9.90 N ATOM 294 NH2 ARG A 21 24.492 -10.808 8.021 1.00 10.29 N ATOM 0 H ARG A 21 18.668 -6.454 9.820 1.00 7.98 H new ATOM 0 HA ARG A 21 20.789 -5.218 8.197 1.00 7.29 H new ATOM 0 HB2 ARG A 21 22.056 -7.318 8.342 1.00 7.43 H new ATOM 0 HB3 ARG A 21 21.948 -6.506 9.891 1.00 7.43 H new ATOM 0 HG2 ARG A 21 20.195 -8.067 10.635 1.00 8.11 H new ATOM 0 HG3 ARG A 21 20.164 -8.832 9.058 1.00 8.11 H new ATOM 0 HD2 ARG A 21 22.590 -8.742 10.895 1.00 8.51 H new ATOM 0 HD3 ARG A 21 21.499 -10.105 10.750 1.00 8.51 H new ATOM 0 HE ARG A 21 22.306 -9.628 8.125 1.00 8.99 H new ATOM 0 HH11 ARG A 21 24.027 -10.271 11.167 1.00 9.90 H new ATOM 0 HH12 ARG A 21 25.387 -11.057 10.358 1.00 9.90 H new ATOM 0 HH21 ARG A 21 24.045 -10.664 7.116 1.00 10.29 H new ATOM 0 HH22 ARG A 21 25.396 -11.278 8.074 1.00 10.29 H new ATOM 308 N ALA A 22 18.227 -6.804 7.544 1.00 7.72 N ATOM 309 CA ALA A 22 17.390 -7.407 6.518 1.00 8.05 C ATOM 310 C ALA A 22 16.994 -6.340 5.518 1.00 7.56 C ATOM 311 O ALA A 22 17.053 -6.531 4.313 1.00 7.73 O ATOM 312 CB ALA A 22 16.158 -8.045 7.134 1.00 9.15 C ATOM 0 H ALA A 22 17.713 -6.398 8.326 1.00 7.72 H new ATOM 0 HA ALA A 22 17.950 -8.193 6.011 1.00 8.05 H new ATOM 0 HB1 ALA A 22 15.547 -8.489 6.348 1.00 9.15 H new ATOM 0 HB2 ALA A 22 16.463 -8.819 7.838 1.00 9.15 H new ATOM 0 HB3 ALA A 22 15.578 -7.285 7.658 1.00 9.15 H new ATOM 318 N LYS A 23 16.594 -5.211 6.045 1.00 7.27 N ATOM 319 CA LYS A 23 16.247 -4.077 5.241 1.00 7.12 C ATOM 320 C LYS A 23 17.062 -2.900 5.660 1.00 6.46 C ATOM 321 O LYS A 23 17.069 -2.532 6.826 1.00 6.78 O ATOM 322 CB LYS A 23 14.766 -3.735 5.336 1.00 8.04 C ATOM 323 CG LYS A 23 13.838 -4.716 4.611 1.00 8.77 C ATOM 324 CD LYS A 23 12.363 -4.363 4.809 1.00 9.62 C ATOM 325 CE LYS A 23 11.428 -5.232 3.944 1.00 10.49 C ATOM 326 NZ LYS A 23 11.549 -6.690 4.205 1.00 11.12 N ATOM 0 H LYS A 23 16.501 -5.056 7.049 1.00 7.27 H new ATOM 0 HA LYS A 23 16.458 -4.332 4.203 1.00 7.12 H new ATOM 0 HB2 LYS A 23 14.482 -3.696 6.388 1.00 8.04 H new ATOM 0 HB3 LYS A 23 14.610 -2.737 4.926 1.00 8.04 H new ATOM 0 HG2 LYS A 23 14.071 -4.716 3.546 1.00 8.77 H new ATOM 0 HG3 LYS A 23 14.021 -5.726 4.977 1.00 8.77 H new ATOM 0 HD2 LYS A 23 12.101 -4.487 5.860 1.00 9.62 H new ATOM 0 HD3 LYS A 23 12.208 -3.312 4.564 1.00 9.62 H new ATOM 0 HE2 LYS A 23 10.397 -4.926 4.120 1.00 10.49 H new ATOM 0 HE3 LYS A 23 11.641 -5.042 2.892 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 10.892 -7.209 3.588 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 12.523 -6.998 4.010 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 11.317 -6.885 5.200 1.00 11.12 H new ATOM 340 N ASN A 24 17.741 -2.312 4.720 1.00 5.86 N ATOM 341 CA ASN A 24 18.582 -1.157 5.023 1.00 5.58 C ATOM 342 C ASN A 24 18.603 -0.180 3.861 1.00 5.25 C ATOM 343 O ASN A 24 18.767 1.011 4.052 1.00 5.71 O ATOM 344 CB ASN A 24 20.043 -1.536 5.447 1.00 5.59 C ATOM 345 CG ASN A 24 20.892 -2.264 4.371 1.00 6.03 C ATOM 346 OD1 ASN A 24 22.087 -2.034 4.275 1.00 6.46 O ATOM 347 ND2 ASN A 24 20.318 -3.200 3.648 1.00 6.29 N ATOM 0 H ASN A 24 17.740 -2.598 3.741 1.00 5.86 H new ATOM 0 HA ASN A 24 18.126 -0.677 5.889 1.00 5.58 H new ATOM 0 HB2 ASN A 24 20.565 -0.624 5.738 1.00 5.59 H new ATOM 0 HB3 ASN A 24 19.991 -2.170 6.332 1.00 5.59 H new ATOM 0 HD21 ASN A 24 20.873 -3.750 2.992 1.00 6.29 H new ATOM 0 HD22 ASN A 24 19.318 -3.377 3.743 1.00 6.29 H new ATOM 354 N LEU A 25 18.442 -0.711 2.668 1.00 4.87 N ATOM 355 CA LEU A 25 18.420 0.064 1.434 1.00 4.97 C ATOM 356 C LEU A 25 17.259 1.065 1.421 1.00 4.70 C ATOM 357 O LEU A 25 16.250 0.861 2.101 1.00 4.86 O ATOM 358 CB LEU A 25 18.323 -0.866 0.187 1.00 5.36 C ATOM 359 CG LEU A 25 17.016 -1.701 -0.019 1.00 6.04 C ATOM 360 CD1 LEU A 25 17.072 -2.439 -1.345 1.00 6.81 C ATOM 361 CD2 LEU A 25 16.782 -2.712 1.108 1.00 6.58 C ATOM 0 H LEU A 25 18.320 -1.713 2.520 1.00 4.87 H new ATOM 0 HA LEU A 25 19.358 0.618 1.389 1.00 4.97 H new ATOM 0 HB2 LEU A 25 18.465 -0.248 -0.700 1.00 5.36 H new ATOM 0 HB3 LEU A 25 19.160 -1.564 0.227 1.00 5.36 H new ATOM 0 HG LEU A 25 16.186 -0.995 -0.012 1.00 6.04 H new ATOM 0 HD11 LEU A 25 16.158 -3.017 -1.479 1.00 6.81 H new ATOM 0 HD12 LEU A 25 17.168 -1.719 -2.158 1.00 6.81 H new ATOM 0 HD13 LEU A 25 17.930 -3.111 -1.351 1.00 6.81 H new ATOM 0 HD21 LEU A 25 15.862 -3.265 0.916 1.00 6.58 H new ATOM 0 HD22 LEU A 25 17.620 -3.407 1.153 1.00 6.58 H new ATOM 0 HD23 LEU A 25 16.697 -2.185 2.058 1.00 6.58 H new ATOM 373 N GLU A 26 17.420 2.140 0.656 1.00 4.76 N ATOM 374 CA GLU A 26 16.383 3.164 0.519 1.00 4.96 C ATOM 375 C GLU A 26 15.292 2.729 -0.452 1.00 4.83 C ATOM 376 O GLU A 26 14.182 2.401 -0.070 1.00 4.95 O ATOM 377 CB GLU A 26 16.961 4.472 -0.056 1.00 5.70 C ATOM 378 CG GLU A 26 17.982 5.216 0.758 1.00 6.48 C ATOM 379 CD GLU A 26 18.429 6.452 -0.006 1.00 7.27 C ATOM 380 OE1 GLU A 26 17.638 7.421 -0.107 1.00 7.70 O ATOM 381 OE2 GLU A 26 19.539 6.456 -0.551 1.00 7.68 O ATOM 0 H GLU A 26 18.265 2.328 0.116 1.00 4.76 H new ATOM 0 HA GLU A 26 15.981 3.313 1.521 1.00 4.96 H new ATOM 0 HB2 GLU A 26 17.410 4.241 -1.022 1.00 5.70 H new ATOM 0 HB3 GLU A 26 16.128 5.149 -0.245 1.00 5.70 H new ATOM 0 HG2 GLU A 26 17.558 5.503 1.720 1.00 6.48 H new ATOM 0 HG3 GLU A 26 18.838 4.573 0.965 1.00 6.48 H new ATOM 388 N LYS A 27 15.662 2.734 -1.720 1.00 5.08 N ATOM 389 CA LYS A 27 14.749 2.560 -2.834 1.00 5.48 C ATOM 390 C LYS A 27 15.552 2.256 -4.096 1.00 5.57 C ATOM 391 O LYS A 27 16.782 2.166 -4.033 1.00 6.04 O ATOM 392 CB LYS A 27 13.936 3.866 -3.001 1.00 6.20 C ATOM 393 CG LYS A 27 14.805 5.133 -3.070 1.00 6.72 C ATOM 394 CD LYS A 27 13.954 6.388 -3.125 1.00 7.40 C ATOM 395 CE LYS A 27 14.797 7.674 -3.042 1.00 8.14 C ATOM 396 NZ LYS A 27 15.523 7.823 -1.734 1.00 8.86 N ATOM 0 H LYS A 27 16.631 2.863 -2.010 1.00 5.08 H new ATOM 0 HA LYS A 27 14.066 1.730 -2.653 1.00 5.48 H new ATOM 0 HB2 LYS A 27 13.338 3.797 -3.910 1.00 6.20 H new ATOM 0 HB3 LYS A 27 13.240 3.959 -2.167 1.00 6.20 H new ATOM 0 HG2 LYS A 27 15.460 5.174 -2.200 1.00 6.72 H new ATOM 0 HG3 LYS A 27 15.447 5.088 -3.950 1.00 6.72 H new ATOM 0 HD2 LYS A 27 13.379 6.393 -4.051 1.00 7.40 H new ATOM 0 HD3 LYS A 27 13.237 6.373 -2.304 1.00 7.40 H new ATOM 0 HE2 LYS A 27 15.523 7.678 -3.855 1.00 8.14 H new ATOM 0 HE3 LYS A 27 14.147 8.537 -3.190 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 15.636 8.833 -1.513 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 14.976 7.362 -0.979 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 16.460 7.377 -1.804 1.00 8.86 H new ATOM 410 N ALA A 28 14.879 2.126 -5.225 1.00 5.50 N ATOM 411 CA ALA A 28 15.548 1.779 -6.479 1.00 5.97 C ATOM 412 C ALA A 28 14.986 2.593 -7.646 1.00 6.23 C ATOM 413 O ALA A 28 14.068 3.410 -7.466 1.00 6.48 O ATOM 414 CB ALA A 28 15.402 0.285 -6.750 1.00 6.27 C ATOM 0 H ALA A 28 13.870 2.254 -5.306 1.00 5.50 H new ATOM 0 HA ALA A 28 16.607 2.021 -6.383 1.00 5.97 H new ATOM 0 HB1 ALA A 28 15.903 0.034 -7.685 1.00 6.27 H new ATOM 0 HB2 ALA A 28 15.854 -0.279 -5.934 1.00 6.27 H new ATOM 0 HB3 ALA A 28 14.345 0.030 -6.825 1.00 6.27 H new ATOM 420 N LYS A 29 15.543 2.381 -8.826 1.00 6.51 N ATOM 421 CA LYS A 29 15.100 3.067 -10.037 1.00 7.02 C ATOM 422 C LYS A 29 13.915 2.331 -10.638 1.00 6.93 C ATOM 423 O LYS A 29 14.077 1.251 -11.215 1.00 7.10 O ATOM 424 CB LYS A 29 16.236 3.130 -11.094 1.00 7.79 C ATOM 425 CG LYS A 29 17.486 3.888 -10.669 1.00 8.36 C ATOM 426 CD LYS A 29 17.207 5.361 -10.454 1.00 9.07 C ATOM 427 CE LYS A 29 18.477 6.095 -10.076 1.00 9.70 C ATOM 428 NZ LYS A 29 18.250 7.550 -9.914 1.00 10.01 N ATOM 0 H LYS A 29 16.314 1.730 -8.976 1.00 6.51 H new ATOM 0 HA LYS A 29 14.817 4.083 -9.762 1.00 7.02 H new ATOM 0 HB2 LYS A 29 16.522 2.111 -11.356 1.00 7.79 H new ATOM 0 HB3 LYS A 29 15.842 3.593 -11.999 1.00 7.79 H new ATOM 0 HG2 LYS A 29 17.878 3.455 -9.749 1.00 8.36 H new ATOM 0 HG3 LYS A 29 18.257 3.772 -11.430 1.00 8.36 H new ATOM 0 HD2 LYS A 29 16.787 5.793 -11.362 1.00 9.07 H new ATOM 0 HD3 LYS A 29 16.462 5.485 -9.668 1.00 9.07 H new ATOM 0 HE2 LYS A 29 18.870 5.684 -9.146 1.00 9.70 H new ATOM 0 HE3 LYS A 29 19.233 5.929 -10.843 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 19.144 8.014 -9.656 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 17.899 7.948 -10.808 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 17.547 7.710 -9.164 1.00 10.01 H new ATOM 442 N ALA A 30 12.746 2.893 -10.496 1.00 7.00 N ATOM 443 CA ALA A 30 11.549 2.282 -11.031 1.00 7.22 C ATOM 444 C ALA A 30 10.583 3.358 -11.479 1.00 7.17 C ATOM 445 O ALA A 30 10.903 4.543 -11.409 1.00 7.27 O ATOM 446 CB ALA A 30 10.902 1.380 -9.999 1.00 7.43 C ATOM 0 H ALA A 30 12.591 3.778 -10.013 1.00 7.00 H new ATOM 0 HA ALA A 30 11.820 1.669 -11.891 1.00 7.22 H new ATOM 0 HB1 ALA A 30 10.003 0.930 -10.421 1.00 7.43 H new ATOM 0 HB2 ALA A 30 11.601 0.594 -9.713 1.00 7.43 H new ATOM 0 HB3 ALA A 30 10.636 1.966 -9.119 1.00 7.43 H new ATOM 452 N ALA A 31 9.416 2.953 -11.951 1.00 7.30 N ATOM 453 CA ALA A 31 8.410 3.894 -12.383 1.00 7.49 C ATOM 454 C ALA A 31 7.287 4.007 -11.345 1.00 7.26 C ATOM 455 O ALA A 31 7.217 4.981 -10.598 1.00 7.29 O ATOM 456 CB ALA A 31 7.854 3.500 -13.749 1.00 8.16 C ATOM 0 H ALA A 31 9.146 1.974 -12.043 1.00 7.30 H new ATOM 0 HA ALA A 31 8.878 4.874 -12.478 1.00 7.49 H new ATOM 0 HB1 ALA A 31 7.097 4.222 -14.056 1.00 8.16 H new ATOM 0 HB2 ALA A 31 8.662 3.487 -14.481 1.00 8.16 H new ATOM 0 HB3 ALA A 31 7.405 2.509 -13.687 1.00 8.16 H new ATOM 462 N GLY A 32 6.439 2.996 -11.294 1.00 7.31 N ATOM 463 CA GLY A 32 5.341 2.999 -10.366 1.00 7.37 C ATOM 464 C GLY A 32 4.027 2.894 -11.105 1.00 7.39 C ATOM 465 O GLY A 32 3.886 2.052 -11.980 1.00 7.69 O ATOM 0 H GLY A 32 6.496 2.167 -11.886 1.00 7.31 H new ATOM 0 HA2 GLY A 32 5.442 2.166 -9.670 1.00 7.37 H new ATOM 0 HA3 GLY A 32 5.360 3.913 -9.773 1.00 7.37 H new ATOM 469 N LYS A 33 3.080 3.736 -10.758 1.00 7.33 N ATOM 470 CA LYS A 33 1.794 3.776 -11.430 1.00 7.58 C ATOM 471 C LYS A 33 1.181 5.156 -11.301 1.00 7.81 C ATOM 472 O LYS A 33 0.941 5.636 -10.197 1.00 8.09 O ATOM 473 CB LYS A 33 0.820 2.677 -10.929 1.00 7.70 C ATOM 474 CG LYS A 33 0.558 2.667 -9.419 1.00 7.71 C ATOM 475 CD LYS A 33 -0.538 1.661 -9.036 1.00 8.10 C ATOM 476 CE LYS A 33 -0.194 0.237 -9.456 1.00 8.68 C ATOM 477 NZ LYS A 33 1.063 -0.236 -8.832 1.00 8.86 N ATOM 0 H LYS A 33 3.176 4.414 -10.002 1.00 7.33 H new ATOM 0 HA LYS A 33 1.971 3.564 -12.485 1.00 7.58 H new ATOM 0 HB2 LYS A 33 -0.133 2.798 -11.445 1.00 7.70 H new ATOM 0 HB3 LYS A 33 1.218 1.704 -11.218 1.00 7.70 H new ATOM 0 HG2 LYS A 33 1.479 2.419 -8.892 1.00 7.71 H new ATOM 0 HG3 LYS A 33 0.264 3.665 -9.095 1.00 7.71 H new ATOM 0 HD2 LYS A 33 -0.694 1.691 -7.958 1.00 8.10 H new ATOM 0 HD3 LYS A 33 -1.478 1.957 -9.502 1.00 8.10 H new ATOM 0 HE2 LYS A 33 -1.010 -0.430 -9.179 1.00 8.68 H new ATOM 0 HE3 LYS A 33 -0.100 0.192 -10.541 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 1.199 -1.244 -9.047 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 1.864 0.310 -9.208 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 1.009 -0.106 -7.802 1.00 8.86 H new ATOM 491 N GLY A 34 0.964 5.792 -12.422 1.00 7.92 N ATOM 492 CA GLY A 34 0.389 7.112 -12.422 1.00 8.28 C ATOM 493 C GLY A 34 1.456 8.163 -12.591 1.00 8.23 C ATOM 494 O GLY A 34 2.595 7.958 -12.197 1.00 8.16 O ATOM 0 H GLY A 34 1.177 5.418 -13.347 1.00 7.92 H new ATOM 0 HA2 GLY A 34 -0.340 7.195 -13.228 1.00 8.28 H new ATOM 0 HA3 GLY A 34 -0.147 7.279 -11.488 1.00 8.28 H new ATOM 498 N SER A 35 1.113 9.273 -13.185 1.00 8.52 N ATOM 499 CA SER A 35 2.089 10.305 -13.417 1.00 8.67 C ATOM 500 C SER A 35 1.711 11.567 -12.654 1.00 8.96 C ATOM 501 O SER A 35 2.337 12.623 -12.814 1.00 9.53 O ATOM 502 CB SER A 35 2.227 10.581 -14.937 1.00 8.87 C ATOM 503 OG SER A 35 3.205 11.580 -15.212 1.00 8.86 O ATOM 0 H SER A 35 0.172 9.487 -13.516 1.00 8.52 H new ATOM 0 HA SER A 35 3.059 9.969 -13.049 1.00 8.67 H new ATOM 0 HB2 SER A 35 2.498 9.658 -15.450 1.00 8.87 H new ATOM 0 HB3 SER A 35 1.264 10.897 -15.337 1.00 8.87 H new ATOM 0 HG SER A 35 3.178 12.265 -14.512 1.00 8.86 H new ATOM 509 N GLN A 36 0.707 11.461 -11.803 1.00 8.75 N ATOM 510 CA GLN A 36 0.244 12.610 -11.056 1.00 9.17 C ATOM 511 C GLN A 36 -0.058 12.223 -9.627 1.00 8.70 C ATOM 512 O GLN A 36 -0.547 11.108 -9.368 1.00 8.58 O ATOM 513 CB GLN A 36 -0.993 13.242 -11.722 1.00 10.09 C ATOM 514 CG GLN A 36 -2.208 12.326 -11.787 1.00 10.66 C ATOM 515 CD GLN A 36 -3.384 12.961 -12.498 1.00 11.45 C ATOM 516 OE1 GLN A 36 -3.556 14.163 -12.476 1.00 11.91 O ATOM 517 NE2 GLN A 36 -4.199 12.151 -13.123 1.00 11.81 N ATOM 0 H GLN A 36 0.201 10.596 -11.614 1.00 8.75 H new ATOM 0 HA GLN A 36 1.039 13.356 -11.053 1.00 9.17 H new ATOM 0 HB2 GLN A 36 -1.263 14.146 -11.176 1.00 10.09 H new ATOM 0 HB3 GLN A 36 -0.729 13.548 -12.734 1.00 10.09 H new ATOM 0 HG2 GLN A 36 -1.935 11.403 -12.299 1.00 10.66 H new ATOM 0 HG3 GLN A 36 -2.506 12.053 -10.775 1.00 10.66 H new ATOM 0 HE21 GLN A 36 -4.022 11.147 -13.120 1.00 11.81 H new ATOM 0 HE22 GLN A 36 -5.012 12.524 -13.614 1.00 11.81 H new ATOM 526 N LEU A 37 0.282 13.129 -8.701 1.00 8.63 N ATOM 527 CA LEU A 37 0.014 12.981 -7.254 1.00 8.33 C ATOM 528 C LEU A 37 0.747 11.799 -6.622 1.00 7.59 C ATOM 529 O LEU A 37 0.483 11.438 -5.476 1.00 7.53 O ATOM 530 CB LEU A 37 -1.500 12.904 -6.977 1.00 8.94 C ATOM 531 CG LEU A 37 -2.321 14.132 -7.384 1.00 9.62 C ATOM 532 CD1 LEU A 37 -3.795 13.904 -7.103 1.00 10.08 C ATOM 533 CD2 LEU A 37 -1.820 15.377 -6.658 1.00 9.94 C ATOM 0 H LEU A 37 0.758 14.000 -8.934 1.00 8.63 H new ATOM 0 HA LEU A 37 0.412 13.877 -6.777 1.00 8.33 H new ATOM 0 HB2 LEU A 37 -1.901 12.035 -7.498 1.00 8.94 H new ATOM 0 HB3 LEU A 37 -1.646 12.731 -5.911 1.00 8.94 H new ATOM 0 HG LEU A 37 -2.197 14.289 -8.456 1.00 9.62 H new ATOM 0 HD11 LEU A 37 -4.362 14.787 -7.398 1.00 10.08 H new ATOM 0 HD12 LEU A 37 -4.144 13.041 -7.670 1.00 10.08 H new ATOM 0 HD13 LEU A 37 -3.938 13.720 -6.038 1.00 10.08 H new ATOM 0 HD21 LEU A 37 -2.415 16.239 -6.960 1.00 9.94 H new ATOM 0 HD22 LEU A 37 -1.912 15.232 -5.582 1.00 9.94 H new ATOM 0 HD23 LEU A 37 -0.775 15.551 -6.913 1.00 9.94 H new ATOM 545 N GLU A 38 1.688 11.234 -7.351 1.00 7.28 N ATOM 546 CA GLU A 38 2.459 10.139 -6.850 1.00 6.85 C ATOM 547 C GLU A 38 3.640 10.670 -6.048 1.00 6.29 C ATOM 548 O GLU A 38 4.287 11.668 -6.439 1.00 6.53 O ATOM 549 CB GLU A 38 2.926 9.220 -7.989 1.00 7.02 C ATOM 550 CG GLU A 38 3.758 8.031 -7.517 1.00 7.23 C ATOM 551 CD GLU A 38 3.030 7.146 -6.507 1.00 7.58 C ATOM 552 OE1 GLU A 38 2.875 7.554 -5.316 1.00 7.82 O ATOM 553 OE2 GLU A 38 2.612 6.021 -6.858 1.00 7.86 O ATOM 0 H GLU A 38 1.930 11.525 -8.298 1.00 7.28 H new ATOM 0 HA GLU A 38 1.831 9.538 -6.192 1.00 6.85 H new ATOM 0 HB2 GLU A 38 2.053 8.850 -8.527 1.00 7.02 H new ATOM 0 HB3 GLU A 38 3.513 9.804 -8.698 1.00 7.02 H new ATOM 0 HG2 GLU A 38 4.040 7.428 -8.380 1.00 7.23 H new ATOM 0 HG3 GLU A 38 4.681 8.398 -7.069 1.00 7.23 H new ATOM 560 N ALA A 39 3.906 10.009 -4.932 1.00 5.86 N ATOM 561 CA ALA A 39 4.960 10.372 -4.022 1.00 5.57 C ATOM 562 C ALA A 39 5.188 9.253 -3.014 1.00 5.31 C ATOM 563 O ALA A 39 6.297 8.740 -2.882 1.00 5.56 O ATOM 564 CB ALA A 39 4.630 11.672 -3.294 1.00 5.92 C ATOM 0 H ALA A 39 3.378 9.188 -4.635 1.00 5.86 H new ATOM 0 HA ALA A 39 5.871 10.526 -4.600 1.00 5.57 H new ATOM 0 HB1 ALA A 39 5.443 11.924 -2.613 1.00 5.92 H new ATOM 0 HB2 ALA A 39 4.504 12.474 -4.021 1.00 5.92 H new ATOM 0 HB3 ALA A 39 3.707 11.548 -2.728 1.00 5.92 H new ATOM 570 N ASN A 40 4.121 8.863 -2.318 1.00 5.21 N ATOM 571 CA ASN A 40 4.203 7.852 -1.261 1.00 5.30 C ATOM 572 C ASN A 40 2.811 7.367 -0.849 1.00 4.90 C ATOM 573 O ASN A 40 1.865 8.153 -0.812 1.00 4.87 O ATOM 574 CB ASN A 40 4.966 8.433 -0.040 1.00 5.95 C ATOM 575 CG ASN A 40 4.975 7.533 1.189 1.00 6.36 C ATOM 576 OD1 ASN A 40 5.803 6.640 1.325 1.00 6.54 O ATOM 577 ND2 ASN A 40 4.085 7.793 2.108 1.00 6.88 N ATOM 0 H ASN A 40 3.183 9.234 -2.468 1.00 5.21 H new ATOM 0 HA ASN A 40 4.749 6.991 -1.646 1.00 5.30 H new ATOM 0 HB2 ASN A 40 5.996 8.634 -0.334 1.00 5.95 H new ATOM 0 HB3 ASN A 40 4.519 9.390 0.230 1.00 5.95 H new ATOM 0 HD21 ASN A 40 4.066 7.246 2.969 1.00 6.88 H new ATOM 0 HD22 ASN A 40 3.409 8.543 1.965 1.00 6.88 H new ATOM 584 N LYS A 41 2.686 6.067 -0.560 1.00 4.91 N ATOM 585 CA LYS A 41 1.393 5.492 -0.115 1.00 4.79 C ATOM 586 C LYS A 41 1.254 5.612 1.411 1.00 5.11 C ATOM 587 O LYS A 41 0.281 6.152 1.909 1.00 5.52 O ATOM 588 CB LYS A 41 1.274 3.999 -0.481 1.00 5.30 C ATOM 589 CG LYS A 41 1.349 3.589 -1.980 1.00 6.03 C ATOM 590 CD LYS A 41 0.213 4.161 -2.846 1.00 6.55 C ATOM 591 CE LYS A 41 0.510 5.561 -3.364 1.00 7.33 C ATOM 592 NZ LYS A 41 1.649 5.537 -4.297 1.00 7.95 N ATOM 0 H LYS A 41 3.449 5.393 -0.622 1.00 4.91 H new ATOM 0 HA LYS A 41 0.608 6.052 -0.623 1.00 4.79 H new ATOM 0 HB2 LYS A 41 2.064 3.465 0.048 1.00 5.30 H new ATOM 0 HB3 LYS A 41 0.325 3.637 -0.086 1.00 5.30 H new ATOM 0 HG2 LYS A 41 2.304 3.919 -2.388 1.00 6.03 H new ATOM 0 HG3 LYS A 41 1.332 2.501 -2.049 1.00 6.03 H new ATOM 0 HD2 LYS A 41 0.038 3.496 -3.692 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -0.707 4.183 -2.261 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -0.370 5.963 -3.866 1.00 7.33 H new ATOM 0 HE3 LYS A 41 0.731 6.225 -2.528 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 2.205 6.409 -4.188 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 2.251 4.715 -4.089 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 1.297 5.470 -5.273 1.00 7.95 H new ATOM 606 N LYS A 42 2.279 5.104 2.123 1.00 5.29 N ATOM 607 CA LYS A 42 2.357 5.019 3.597 1.00 6.01 C ATOM 608 C LYS A 42 1.438 3.930 4.166 1.00 6.11 C ATOM 609 O LYS A 42 0.250 3.875 3.856 1.00 6.74 O ATOM 610 CB LYS A 42 2.121 6.371 4.306 1.00 6.24 C ATOM 611 CG LYS A 42 2.540 6.338 5.766 1.00 6.53 C ATOM 612 CD LYS A 42 2.456 7.707 6.450 1.00 7.13 C ATOM 613 CE LYS A 42 1.029 8.197 6.626 1.00 7.68 C ATOM 614 NZ LYS A 42 0.997 9.533 7.265 1.00 8.17 N ATOM 0 H LYS A 42 3.110 4.726 1.669 1.00 5.29 H new ATOM 0 HA LYS A 42 3.387 4.734 3.811 1.00 6.01 H new ATOM 0 HB2 LYS A 42 2.678 7.152 3.788 1.00 6.24 H new ATOM 0 HB3 LYS A 42 1.065 6.634 4.239 1.00 6.24 H new ATOM 0 HG2 LYS A 42 1.907 5.631 6.303 1.00 6.53 H new ATOM 0 HG3 LYS A 42 3.562 5.967 5.835 1.00 6.53 H new ATOM 0 HD2 LYS A 42 2.937 7.649 7.426 1.00 7.13 H new ATOM 0 HD3 LYS A 42 3.014 8.435 5.862 1.00 7.13 H new ATOM 0 HE2 LYS A 42 0.535 8.243 5.655 1.00 7.68 H new ATOM 0 HE3 LYS A 42 0.470 7.486 7.235 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 0.010 9.843 7.373 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 1.448 9.481 8.201 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 1.511 10.214 6.671 1.00 8.17 H new ATOM 628 N ALA A 43 2.036 3.029 4.961 1.00 5.71 N ATOM 629 CA ALA A 43 1.317 1.935 5.683 1.00 5.93 C ATOM 630 C ALA A 43 0.607 0.944 4.742 1.00 5.58 C ATOM 631 O ALA A 43 -0.175 0.123 5.190 1.00 5.78 O ATOM 632 CB ALA A 43 0.325 2.515 6.699 1.00 5.86 C ATOM 0 H ALA A 43 3.042 3.028 5.131 1.00 5.71 H new ATOM 0 HA ALA A 43 2.082 1.365 6.210 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -0.187 1.701 7.213 1.00 5.86 H new ATOM 0 HB2 ALA A 43 0.863 3.122 7.427 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -0.407 3.134 6.180 1.00 5.86 H new ATOM 638 N MET A 44 0.922 1.030 3.440 1.00 5.27 N ATOM 639 CA MET A 44 0.341 0.163 2.382 1.00 5.14 C ATOM 640 C MET A 44 -1.118 0.518 2.087 1.00 4.41 C ATOM 641 O MET A 44 -1.788 -0.186 1.343 1.00 4.57 O ATOM 642 CB MET A 44 0.479 -1.345 2.693 1.00 5.83 C ATOM 643 CG MET A 44 1.920 -1.858 2.761 1.00 6.40 C ATOM 644 SD MET A 44 2.034 -3.617 3.179 1.00 6.97 S ATOM 645 CE MET A 44 1.309 -3.639 4.833 1.00 7.62 C ATOM 0 H MET A 44 1.594 1.708 3.080 1.00 5.27 H new ATOM 0 HA MET A 44 0.929 0.362 1.486 1.00 5.14 H new ATOM 0 HB2 MET A 44 -0.010 -1.551 3.645 1.00 5.83 H new ATOM 0 HB3 MET A 44 -0.057 -1.909 1.930 1.00 5.83 H new ATOM 0 HG2 MET A 44 2.405 -1.688 1.800 1.00 6.40 H new ATOM 0 HG3 MET A 44 2.470 -1.279 3.503 1.00 6.40 H new ATOM 0 HE1 MET A 44 1.607 -4.552 5.349 1.00 7.62 H new ATOM 0 HE2 MET A 44 1.660 -2.774 5.396 1.00 7.62 H new ATOM 0 HE3 MET A 44 0.222 -3.604 4.754 1.00 7.62 H new ATOM 655 N SER A 45 -1.569 1.651 2.637 1.00 3.91 N ATOM 656 CA SER A 45 -2.911 2.158 2.475 1.00 3.31 C ATOM 657 C SER A 45 -4.046 1.135 2.709 1.00 3.15 C ATOM 658 O SER A 45 -4.390 0.826 3.864 1.00 3.30 O ATOM 659 CB SER A 45 -3.053 2.972 1.188 1.00 3.27 C ATOM 660 OG SER A 45 -2.512 2.301 0.048 1.00 3.82 O ATOM 0 H SER A 45 -0.984 2.248 3.221 1.00 3.91 H new ATOM 0 HA SER A 45 -3.058 2.849 3.305 1.00 3.31 H new ATOM 0 HB2 SER A 45 -4.107 3.185 1.012 1.00 3.27 H new ATOM 0 HB3 SER A 45 -2.550 3.931 1.312 1.00 3.27 H new ATOM 0 HG SER A 45 -3.243 1.988 -0.525 1.00 3.82 H new ATOM 666 N ILE A 46 -4.607 0.618 1.633 1.00 3.06 N ATOM 667 CA ILE A 46 -5.683 -0.365 1.717 1.00 2.90 C ATOM 668 C ILE A 46 -5.263 -1.627 0.968 1.00 3.39 C ATOM 669 O ILE A 46 -4.705 -1.530 -0.100 1.00 3.76 O ATOM 670 CB ILE A 46 -7.002 0.206 1.098 1.00 2.48 C ATOM 671 CG1 ILE A 46 -7.396 1.520 1.809 1.00 2.40 C ATOM 672 CG2 ILE A 46 -8.136 -0.815 1.178 1.00 2.38 C ATOM 673 CD1 ILE A 46 -8.642 2.178 1.256 1.00 2.53 C ATOM 0 H ILE A 46 -4.336 0.862 0.680 1.00 3.06 H new ATOM 0 HA ILE A 46 -5.871 -0.600 2.765 1.00 2.90 H new ATOM 0 HB ILE A 46 -6.823 0.418 0.044 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -7.548 1.315 2.869 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -6.565 2.222 1.736 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -9.039 -0.390 0.740 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -7.855 -1.714 0.630 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -8.323 -1.070 2.221 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -8.847 3.093 1.811 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -8.490 2.418 0.204 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -9.487 1.497 1.354 1.00 2.53 H new ATOM 685 N GLN A 47 -5.516 -2.789 1.536 1.00 3.62 N ATOM 686 CA GLN A 47 -5.155 -4.058 0.898 1.00 4.26 C ATOM 687 C GLN A 47 -6.386 -4.720 0.283 1.00 4.05 C ATOM 688 O GLN A 47 -7.477 -4.658 0.841 1.00 3.59 O ATOM 689 CB GLN A 47 -4.514 -5.007 1.929 1.00 4.89 C ATOM 690 CG GLN A 47 -4.152 -6.418 1.410 1.00 5.73 C ATOM 691 CD GLN A 47 -3.653 -7.344 2.514 1.00 6.34 C ATOM 692 OE1 GLN A 47 -3.842 -8.542 2.443 1.00 6.66 O ATOM 693 NE2 GLN A 47 -2.998 -6.803 3.521 1.00 6.79 N ATOM 0 H GLN A 47 -5.972 -2.890 2.443 1.00 3.62 H new ATOM 0 HA GLN A 47 -4.436 -3.851 0.105 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -3.608 -4.538 2.313 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -5.198 -5.114 2.771 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -5.028 -6.862 0.938 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -3.385 -6.331 0.640 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -2.855 -5.794 3.553 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -2.634 -7.394 4.269 1.00 6.79 H new ATOM 702 N CYS A 48 -6.199 -5.327 -0.869 1.00 4.51 N ATOM 703 CA CYS A 48 -7.268 -6.038 -1.546 1.00 4.51 C ATOM 704 C CYS A 48 -7.471 -7.425 -0.938 1.00 4.78 C ATOM 705 O CYS A 48 -6.505 -8.105 -0.575 1.00 5.43 O ATOM 706 CB CYS A 48 -6.969 -6.163 -3.026 1.00 5.18 C ATOM 707 SG CYS A 48 -8.301 -6.887 -4.004 1.00 5.33 S ATOM 0 H CYS A 48 -5.307 -5.343 -1.363 1.00 4.51 H new ATOM 0 HA CYS A 48 -8.186 -5.465 -1.417 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -6.742 -5.173 -3.422 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -6.072 -6.770 -3.152 1.00 5.18 H new ATOM 0 HG CYS A 48 -9.384 -6.945 -3.287 1.00 5.33 H new ATOM 713 N LYS A 49 -8.723 -7.842 -0.905 1.00 4.37 N ATOM 714 CA LYS A 49 -9.175 -9.072 -0.285 1.00 4.60 C ATOM 715 C LYS A 49 -8.519 -10.308 -0.902 1.00 5.45 C ATOM 716 O LYS A 49 -8.100 -11.214 -0.193 1.00 5.91 O ATOM 717 CB LYS A 49 -10.707 -9.132 -0.484 1.00 4.03 C ATOM 718 CG LYS A 49 -11.492 -10.240 0.275 1.00 4.13 C ATOM 719 CD LYS A 49 -11.191 -11.681 -0.192 1.00 4.80 C ATOM 720 CE LYS A 49 -11.533 -11.917 -1.669 1.00 5.08 C ATOM 721 NZ LYS A 49 -12.969 -11.756 -1.944 1.00 5.64 N ATOM 0 H LYS A 49 -9.484 -7.310 -1.327 1.00 4.37 H new ATOM 0 HA LYS A 49 -8.900 -9.074 0.770 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -11.121 -8.167 -0.191 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -10.902 -9.253 -1.550 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -11.266 -10.163 1.338 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -12.560 -10.052 0.162 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -10.135 -11.896 -0.031 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -11.756 -12.382 0.422 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -10.967 -11.219 -2.286 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -11.221 -12.921 -1.955 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -13.199 -12.195 -2.859 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -13.520 -12.216 -1.191 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -13.205 -10.744 -1.977 1.00 5.64 H new ATOM 735 N VAL A 50 -8.463 -10.324 -2.222 1.00 5.76 N ATOM 736 CA VAL A 50 -8.030 -11.495 -3.029 1.00 6.62 C ATOM 737 C VAL A 50 -6.723 -12.180 -2.539 1.00 7.31 C ATOM 738 O VAL A 50 -6.616 -13.416 -2.560 1.00 7.94 O ATOM 739 CB VAL A 50 -7.933 -11.118 -4.525 1.00 6.99 C ATOM 740 CG1 VAL A 50 -6.988 -9.966 -4.722 1.00 6.73 C ATOM 741 CG2 VAL A 50 -7.558 -12.319 -5.397 1.00 7.56 C ATOM 0 H VAL A 50 -8.718 -9.517 -2.792 1.00 5.76 H new ATOM 0 HA VAL A 50 -8.808 -12.246 -2.890 1.00 6.62 H new ATOM 0 HB VAL A 50 -8.923 -10.798 -4.851 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -6.934 -9.717 -5.782 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -7.347 -9.101 -4.164 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -5.997 -10.243 -4.364 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -7.501 -12.008 -6.440 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -6.590 -12.710 -5.082 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -8.315 -13.096 -5.291 1.00 7.56 H new ATOM 751 N CYS A 51 -5.769 -11.403 -2.085 1.00 7.22 N ATOM 752 CA CYS A 51 -4.518 -11.971 -1.624 1.00 7.91 C ATOM 753 C CYS A 51 -3.800 -10.985 -0.719 1.00 7.66 C ATOM 754 O CYS A 51 -3.682 -11.225 0.472 1.00 7.62 O ATOM 755 CB CYS A 51 -3.634 -12.393 -2.817 1.00 8.65 C ATOM 756 SG CYS A 51 -2.063 -13.175 -2.359 1.00 9.28 S ATOM 0 H CYS A 51 -5.830 -10.387 -2.024 1.00 7.22 H new ATOM 0 HA CYS A 51 -4.731 -12.869 -1.045 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -4.199 -13.084 -3.443 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -3.422 -11.513 -3.424 1.00 8.65 H new ATOM 0 HG CYS A 51 -1.405 -13.489 -3.435 1.00 9.28 H new ATOM 762 N MET A 52 -3.346 -9.864 -1.303 1.00 7.53 N ATOM 763 CA MET A 52 -2.619 -8.808 -0.549 1.00 7.36 C ATOM 764 C MET A 52 -2.200 -7.694 -1.493 1.00 7.19 C ATOM 765 O MET A 52 -1.022 -7.452 -1.703 1.00 7.51 O ATOM 766 CB MET A 52 -1.361 -9.380 0.168 1.00 8.14 C ATOM 767 CG MET A 52 -0.652 -8.393 1.097 1.00 8.25 C ATOM 768 SD MET A 52 0.804 -9.096 1.918 1.00 9.18 S ATOM 769 CE MET A 52 1.340 -7.688 2.901 1.00 9.44 C ATOM 0 H MET A 52 -3.465 -9.658 -2.295 1.00 7.53 H new ATOM 0 HA MET A 52 -3.296 -8.417 0.211 1.00 7.36 H new ATOM 0 HB2 MET A 52 -1.656 -10.255 0.747 1.00 8.14 H new ATOM 0 HB3 MET A 52 -0.652 -9.721 -0.587 1.00 8.14 H new ATOM 0 HG2 MET A 52 -0.349 -7.518 0.522 1.00 8.25 H new ATOM 0 HG3 MET A 52 -1.356 -8.048 1.854 1.00 8.25 H new ATOM 0 HE1 MET A 52 2.231 -7.958 3.468 1.00 9.44 H new ATOM 0 HE2 MET A 52 1.570 -6.851 2.242 1.00 9.44 H new ATOM 0 HE3 MET A 52 0.545 -7.401 3.589 1.00 9.44 H new ATOM 779 N GLN A 53 -3.163 -7.070 -2.125 1.00 6.77 N ATOM 780 CA GLN A 53 -2.838 -6.021 -3.094 1.00 6.78 C ATOM 781 C GLN A 53 -3.112 -4.707 -2.441 1.00 5.99 C ATOM 782 O GLN A 53 -3.377 -4.689 -1.268 1.00 5.51 O ATOM 783 CB GLN A 53 -3.657 -6.184 -4.381 1.00 7.00 C ATOM 784 CG GLN A 53 -3.589 -7.583 -4.947 1.00 7.73 C ATOM 785 CD GLN A 53 -2.151 -8.023 -5.233 1.00 8.54 C ATOM 786 OE1 GLN A 53 -1.632 -7.823 -6.321 1.00 9.11 O ATOM 787 NE2 GLN A 53 -1.515 -8.619 -4.241 1.00 8.65 N ATOM 0 H GLN A 53 -4.158 -7.254 -2.000 1.00 6.77 H new ATOM 0 HA GLN A 53 -1.789 -6.086 -3.384 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -4.697 -5.929 -4.178 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -3.295 -5.477 -5.128 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -4.047 -8.280 -4.245 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -4.171 -7.629 -5.867 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -1.986 -8.766 -3.348 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -0.553 -8.932 -4.367 1.00 8.65 H new ATOM 796 N THR A 54 -3.075 -3.622 -3.152 1.00 5.92 N ATOM 797 CA THR A 54 -3.301 -2.381 -2.500 1.00 5.23 C ATOM 798 C THR A 54 -4.119 -1.397 -3.349 1.00 5.04 C ATOM 799 O THR A 54 -4.212 -1.521 -4.579 1.00 5.63 O ATOM 800 CB THR A 54 -1.964 -1.739 -1.997 1.00 5.45 C ATOM 801 OG1 THR A 54 -2.205 -0.524 -1.272 1.00 4.93 O ATOM 802 CG2 THR A 54 -1.037 -1.453 -3.154 1.00 5.93 C ATOM 0 H THR A 54 -2.895 -3.574 -4.155 1.00 5.92 H new ATOM 0 HA THR A 54 -3.910 -2.605 -1.624 1.00 5.23 H new ATOM 0 HB THR A 54 -1.495 -2.459 -1.327 1.00 5.45 H new ATOM 0 HG1 THR A 54 -1.761 -0.570 -0.399 1.00 4.93 H new ATOM 0 HG21 THR A 54 -0.115 -1.007 -2.780 1.00 5.93 H new ATOM 0 HG22 THR A 54 -0.806 -2.383 -3.674 1.00 5.93 H new ATOM 0 HG23 THR A 54 -1.520 -0.762 -3.845 1.00 5.93 H new ATOM 810 N PHE A 55 -4.718 -0.473 -2.654 1.00 4.34 N ATOM 811 CA PHE A 55 -5.492 0.608 -3.185 1.00 4.27 C ATOM 812 C PHE A 55 -5.154 1.814 -2.345 1.00 3.93 C ATOM 813 O PHE A 55 -5.004 1.687 -1.128 1.00 3.54 O ATOM 814 CB PHE A 55 -6.996 0.334 -3.073 1.00 3.91 C ATOM 815 CG PHE A 55 -7.508 -0.810 -3.904 1.00 4.29 C ATOM 816 CD1 PHE A 55 -7.811 -0.615 -5.242 1.00 4.83 C ATOM 817 CD2 PHE A 55 -7.695 -2.067 -3.352 1.00 4.24 C ATOM 818 CE1 PHE A 55 -8.289 -1.647 -6.023 1.00 5.27 C ATOM 819 CE2 PHE A 55 -8.174 -3.109 -4.130 1.00 4.63 C ATOM 820 CZ PHE A 55 -8.472 -2.898 -5.469 1.00 5.13 C ATOM 0 H PHE A 55 -4.675 -0.455 -1.635 1.00 4.34 H new ATOM 0 HA PHE A 55 -5.264 0.750 -4.241 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -7.235 0.137 -2.028 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -7.535 1.238 -3.358 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -7.671 0.362 -5.681 1.00 4.83 H new ATOM 0 HD2 PHE A 55 -7.466 -2.236 -2.310 1.00 4.24 H new ATOM 0 HE1 PHE A 55 -8.519 -1.477 -7.064 1.00 5.27 H new ATOM 0 HE2 PHE A 55 -8.316 -4.087 -3.694 1.00 4.63 H new ATOM 0 HZ PHE A 55 -8.846 -3.710 -6.075 1.00 5.13 H new ATOM 830 N ILE A 56 -5.021 2.958 -2.974 1.00 4.24 N ATOM 831 CA ILE A 56 -4.661 4.191 -2.272 1.00 4.10 C ATOM 832 C ILE A 56 -5.731 4.596 -1.262 1.00 3.68 C ATOM 833 O ILE A 56 -6.932 4.455 -1.521 1.00 3.75 O ATOM 834 CB ILE A 56 -4.397 5.360 -3.284 1.00 4.78 C ATOM 835 CG1 ILE A 56 -4.016 6.689 -2.581 1.00 4.73 C ATOM 836 CG2 ILE A 56 -5.557 5.552 -4.263 1.00 5.23 C ATOM 837 CD1 ILE A 56 -2.731 6.626 -1.765 1.00 4.53 C ATOM 0 H ILE A 56 -5.156 3.072 -3.979 1.00 4.24 H new ATOM 0 HA ILE A 56 -3.740 3.992 -1.724 1.00 4.10 H new ATOM 0 HB ILE A 56 -3.528 5.058 -3.869 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -3.914 7.469 -3.336 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -4.834 6.986 -1.925 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -5.327 6.372 -4.943 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -5.705 4.636 -4.836 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -6.466 5.784 -3.709 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -2.542 7.598 -1.309 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -2.832 5.872 -0.984 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -1.898 6.363 -2.417 1.00 4.53 H new ATOM 849 N CYS A 57 -5.293 5.081 -0.113 1.00 3.44 N ATOM 850 CA CYS A 57 -6.190 5.532 0.900 1.00 3.38 C ATOM 851 C CYS A 57 -6.821 6.886 0.570 1.00 3.93 C ATOM 852 O CYS A 57 -6.438 7.928 1.106 1.00 4.21 O ATOM 853 CB CYS A 57 -5.515 5.522 2.277 1.00 3.28 C ATOM 854 SG CYS A 57 -3.934 6.415 2.324 1.00 4.03 S ATOM 0 H CYS A 57 -4.306 5.167 0.129 1.00 3.44 H new ATOM 0 HA CYS A 57 -7.017 4.823 0.935 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -6.193 5.964 3.007 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -5.347 4.489 2.582 1.00 3.28 H new ATOM 0 HG CYS A 57 -3.438 6.356 3.524 1.00 4.03 H new ATOM 860 N THR A 58 -7.721 6.868 -0.387 1.00 4.31 N ATOM 861 CA THR A 58 -8.531 8.032 -0.694 1.00 5.03 C ATOM 862 C THR A 58 -9.719 8.107 0.267 1.00 5.13 C ATOM 863 O THR A 58 -10.510 9.048 0.248 1.00 5.79 O ATOM 864 CB THR A 58 -9.010 8.009 -2.160 1.00 5.61 C ATOM 865 OG1 THR A 58 -9.599 6.731 -2.462 1.00 6.01 O ATOM 866 CG2 THR A 58 -7.854 8.288 -3.117 1.00 5.89 C ATOM 0 H THR A 58 -7.914 6.055 -0.972 1.00 4.31 H new ATOM 0 HA THR A 58 -7.917 8.924 -0.566 1.00 5.03 H new ATOM 0 HB THR A 58 -9.757 8.792 -2.289 1.00 5.61 H new ATOM 0 HG1 THR A 58 -9.903 6.723 -3.394 1.00 6.01 H new ATOM 0 HG21 THR A 58 -8.218 8.266 -4.144 1.00 5.89 H new ATOM 0 HG22 THR A 58 -7.433 9.270 -2.902 1.00 5.89 H new ATOM 0 HG23 THR A 58 -7.084 7.527 -2.989 1.00 5.89 H new ATOM 874 N THR A 59 -9.833 7.104 1.088 1.00 4.66 N ATOM 875 CA THR A 59 -10.840 7.021 2.105 1.00 4.98 C ATOM 876 C THR A 59 -10.178 6.347 3.327 1.00 4.60 C ATOM 877 O THR A 59 -9.149 5.689 3.181 1.00 4.34 O ATOM 878 CB THR A 59 -12.066 6.196 1.606 1.00 5.47 C ATOM 879 OG1 THR A 59 -12.497 6.714 0.337 1.00 6.19 O ATOM 880 CG2 THR A 59 -13.234 6.329 2.586 1.00 5.90 C ATOM 0 H THR A 59 -9.209 6.297 1.068 1.00 4.66 H new ATOM 0 HA THR A 59 -11.216 8.011 2.365 1.00 4.98 H new ATOM 0 HB THR A 59 -11.769 5.150 1.523 1.00 5.47 H new ATOM 0 HG1 THR A 59 -13.267 6.198 0.017 1.00 6.19 H new ATOM 0 HG21 THR A 59 -14.081 5.747 2.223 1.00 5.90 H new ATOM 0 HG22 THR A 59 -12.932 5.957 3.565 1.00 5.90 H new ATOM 0 HG23 THR A 59 -13.522 7.377 2.669 1.00 5.90 H new ATOM 888 N SER A 60 -10.753 6.493 4.497 1.00 4.93 N ATOM 889 CA SER A 60 -10.146 6.010 5.711 1.00 5.08 C ATOM 890 C SER A 60 -10.507 4.541 5.998 1.00 4.91 C ATOM 891 O SER A 60 -10.337 4.092 7.132 1.00 5.44 O ATOM 892 CB SER A 60 -10.620 6.896 6.858 1.00 5.82 C ATOM 893 OG SER A 60 -10.405 8.274 6.541 1.00 6.47 O ATOM 0 H SER A 60 -11.655 6.950 4.633 1.00 4.93 H new ATOM 0 HA SER A 60 -9.062 6.052 5.603 1.00 5.08 H new ATOM 0 HB2 SER A 60 -11.679 6.720 7.049 1.00 5.82 H new ATOM 0 HB3 SER A 60 -10.084 6.638 7.772 1.00 5.82 H new ATOM 0 HG SER A 60 -10.715 8.833 7.284 1.00 6.47 H new ATOM 899 N GLU A 61 -11.008 3.792 4.963 1.00 4.39 N ATOM 900 CA GLU A 61 -11.375 2.352 5.127 1.00 4.24 C ATOM 901 C GLU A 61 -12.596 2.162 6.055 1.00 4.81 C ATOM 902 O GLU A 61 -13.660 1.773 5.599 1.00 4.86 O ATOM 903 CB GLU A 61 -10.115 1.540 5.583 1.00 4.06 C ATOM 904 CG GLU A 61 -10.337 0.153 6.204 1.00 4.21 C ATOM 905 CD GLU A 61 -10.924 -0.923 5.303 1.00 4.27 C ATOM 906 OE1 GLU A 61 -12.164 -0.949 5.120 1.00 4.34 O ATOM 907 OE2 GLU A 61 -10.189 -1.830 4.915 1.00 4.60 O ATOM 0 H GLU A 61 -11.163 4.158 4.024 1.00 4.39 H new ATOM 0 HA GLU A 61 -11.695 1.955 4.163 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -9.465 1.418 4.717 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -9.571 2.147 6.307 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -9.379 -0.206 6.581 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -10.995 0.269 7.065 1.00 4.21 H new ATOM 914 N VAL A 62 -12.453 2.515 7.332 1.00 5.34 N ATOM 915 CA VAL A 62 -13.482 2.309 8.326 1.00 6.05 C ATOM 916 C VAL A 62 -14.735 3.133 8.000 1.00 6.40 C ATOM 917 O VAL A 62 -15.844 2.782 8.392 1.00 6.81 O ATOM 918 CB VAL A 62 -12.963 2.699 9.716 1.00 6.66 C ATOM 919 CG1 VAL A 62 -12.911 4.197 9.883 1.00 7.23 C ATOM 920 CG2 VAL A 62 -13.726 2.003 10.817 1.00 7.09 C ATOM 0 H VAL A 62 -11.609 2.955 7.699 1.00 5.34 H new ATOM 0 HA VAL A 62 -13.747 1.252 8.319 1.00 6.05 H new ATOM 0 HB VAL A 62 -11.935 2.346 9.800 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -12.539 4.439 10.878 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -12.245 4.624 9.133 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -13.911 4.612 9.758 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -13.327 2.307 11.785 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -14.780 2.275 10.758 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -13.623 0.924 10.705 1.00 7.09 H new ATOM 930 N LYS A 63 -14.524 4.221 7.278 1.00 6.35 N ATOM 931 CA LYS A 63 -15.620 5.100 6.840 1.00 6.86 C ATOM 932 C LYS A 63 -16.544 4.290 5.930 1.00 6.61 C ATOM 933 O LYS A 63 -17.789 4.337 6.031 1.00 7.11 O ATOM 934 CB LYS A 63 -15.022 6.355 6.126 1.00 7.01 C ATOM 935 CG LYS A 63 -16.001 7.522 5.794 1.00 7.83 C ATOM 936 CD LYS A 63 -16.975 7.223 4.659 1.00 8.08 C ATOM 937 CE LYS A 63 -17.924 8.395 4.452 1.00 8.93 C ATOM 938 NZ LYS A 63 -18.863 8.173 3.331 1.00 9.36 N ATOM 0 H LYS A 63 -13.599 4.527 6.976 1.00 6.35 H new ATOM 0 HA LYS A 63 -16.206 5.463 7.685 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -14.224 6.752 6.754 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -14.561 6.026 5.195 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -16.571 7.768 6.690 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -15.419 8.406 5.534 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -16.423 7.027 3.740 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -17.544 6.322 4.887 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -18.490 8.566 5.368 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -17.344 9.298 4.263 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -19.487 8.999 3.232 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -18.326 8.037 2.451 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -19.437 7.327 3.521 1.00 9.36 H new ATOM 952 N CYS A 64 -15.934 3.503 5.079 1.00 5.90 N ATOM 953 CA CYS A 64 -16.675 2.644 4.218 1.00 5.63 C ATOM 954 C CYS A 64 -17.148 1.446 5.010 1.00 5.60 C ATOM 955 O CYS A 64 -18.188 0.907 4.734 1.00 5.71 O ATOM 956 CB CYS A 64 -15.828 2.226 3.031 1.00 4.97 C ATOM 957 SG CYS A 64 -15.192 3.612 2.065 1.00 4.95 S ATOM 0 H CYS A 64 -14.921 3.446 4.971 1.00 5.90 H new ATOM 0 HA CYS A 64 -17.544 3.172 3.825 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -14.989 1.629 3.388 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -16.422 1.584 2.381 1.00 4.97 H new ATOM 0 HG CYS A 64 -14.054 3.282 1.530 1.00 4.95 H new ATOM 963 N ARG A 65 -16.374 1.061 6.048 1.00 5.62 N ATOM 964 CA ARG A 65 -16.742 -0.059 6.885 1.00 5.84 C ATOM 965 C ARG A 65 -18.087 0.104 7.529 1.00 6.60 C ATOM 966 O ARG A 65 -18.904 -0.809 7.478 1.00 6.69 O ATOM 967 CB ARG A 65 -15.691 -0.447 7.923 1.00 5.99 C ATOM 968 CG ARG A 65 -14.413 -0.955 7.307 1.00 5.98 C ATOM 969 CD ARG A 65 -13.448 -1.520 8.340 1.00 6.32 C ATOM 970 NE ARG A 65 -12.257 -2.018 7.683 1.00 6.70 N ATOM 971 CZ ARG A 65 -11.264 -2.710 8.248 1.00 7.13 C ATOM 972 NH1 ARG A 65 -11.323 -3.036 9.535 1.00 7.25 N ATOM 973 NH2 ARG A 65 -10.195 -3.051 7.507 1.00 7.69 N ATOM 0 H ARG A 65 -15.500 1.517 6.310 1.00 5.62 H new ATOM 0 HA ARG A 65 -16.803 -0.891 6.184 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -15.468 0.419 8.547 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -16.102 -1.215 8.578 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -14.649 -1.728 6.575 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -13.926 -0.143 6.767 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -13.180 -0.747 9.061 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -13.929 -2.323 8.898 1.00 6.32 H new ATOM 0 HE ARG A 65 -12.167 -1.820 6.686 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -12.129 -2.758 10.095 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -10.563 -3.565 9.963 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -10.149 -2.781 6.524 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -9.431 -3.579 7.928 1.00 7.69 H new ATOM 987 N GLU A 66 -18.338 1.269 8.109 1.00 7.20 N ATOM 988 CA GLU A 66 -19.620 1.493 8.769 1.00 8.03 C ATOM 989 C GLU A 66 -20.749 1.471 7.757 1.00 8.03 C ATOM 990 O GLU A 66 -21.810 0.885 7.992 1.00 8.42 O ATOM 991 CB GLU A 66 -19.657 2.806 9.583 1.00 8.67 C ATOM 992 CG GLU A 66 -19.481 4.071 8.743 1.00 8.45 C ATOM 993 CD GLU A 66 -19.747 5.350 9.512 1.00 9.17 C ATOM 994 OE1 GLU A 66 -20.923 5.800 9.586 1.00 9.78 O ATOM 995 OE2 GLU A 66 -18.771 5.913 10.086 1.00 9.24 O ATOM 0 H GLU A 66 -17.691 2.057 8.138 1.00 7.20 H new ATOM 0 HA GLU A 66 -19.752 0.677 9.479 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -20.608 2.865 10.113 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -18.872 2.774 10.339 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -18.465 4.098 8.350 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -20.153 4.025 7.886 1.00 8.45 H new ATOM 1002 N HIS A 67 -20.507 2.070 6.613 1.00 7.64 N ATOM 1003 CA HIS A 67 -21.534 2.189 5.617 1.00 7.74 C ATOM 1004 C HIS A 67 -21.753 0.835 4.889 1.00 7.19 C ATOM 1005 O HIS A 67 -22.855 0.535 4.434 1.00 7.42 O ATOM 1006 CB HIS A 67 -21.168 3.328 4.652 1.00 7.65 C ATOM 1007 CG HIS A 67 -22.251 3.759 3.695 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -22.561 5.088 3.458 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -23.002 3.060 2.847 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -23.451 5.158 2.495 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -23.735 3.939 2.102 1.00 8.28 N ATOM 0 H HIS A 67 -19.609 2.479 6.355 1.00 7.64 H new ATOM 0 HA HIS A 67 -22.484 2.439 6.088 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -20.866 4.194 5.242 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -20.299 3.020 4.071 1.00 7.65 H new ATOM 0 HD1 HIS A 67 -22.162 5.885 3.953 1.00 8.79 H new ATOM 0 HD2 HIS A 67 -23.027 1.984 2.763 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -23.877 6.066 2.094 1.00 8.97 H new ATOM 1020 N ALA A 68 -20.722 0.014 4.841 1.00 6.53 N ATOM 1021 CA ALA A 68 -20.821 -1.283 4.211 1.00 6.01 C ATOM 1022 C ALA A 68 -21.522 -2.229 5.110 1.00 6.43 C ATOM 1023 O ALA A 68 -22.458 -2.836 4.707 1.00 6.43 O ATOM 1024 CB ALA A 68 -19.465 -1.821 3.844 1.00 5.28 C ATOM 0 H ALA A 68 -19.804 0.225 5.233 1.00 6.53 H new ATOM 0 HA ALA A 68 -21.393 -1.169 3.290 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -19.576 -2.797 3.373 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -18.978 -1.136 3.150 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -18.857 -1.920 4.743 1.00 5.28 H new ATOM 1030 N GLU A 69 -21.099 -2.309 6.367 1.00 6.88 N ATOM 1031 CA GLU A 69 -21.722 -3.229 7.324 1.00 7.44 C ATOM 1032 C GLU A 69 -23.144 -2.801 7.646 1.00 8.10 C ATOM 1033 O GLU A 69 -23.893 -3.514 8.320 1.00 8.50 O ATOM 1034 CB GLU A 69 -20.876 -3.357 8.586 1.00 7.93 C ATOM 1035 CG GLU A 69 -19.478 -3.885 8.326 1.00 7.64 C ATOM 1036 CD GLU A 69 -19.477 -5.230 7.631 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -19.582 -6.265 8.321 1.00 7.78 O ATOM 1038 OE2 GLU A 69 -19.392 -5.262 6.387 1.00 7.77 O ATOM 0 H GLU A 69 -20.333 -1.754 6.749 1.00 6.88 H new ATOM 0 HA GLU A 69 -21.774 -4.215 6.862 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -20.804 -2.381 9.066 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -21.382 -4.021 9.287 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -18.931 -3.166 7.716 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -18.945 -3.970 9.273 1.00 7.64 H new ATOM 1045 N ALA A 70 -23.494 -1.625 7.168 1.00 8.29 N ATOM 1046 CA ALA A 70 -24.834 -1.104 7.251 1.00 8.98 C ATOM 1047 C ALA A 70 -25.734 -1.852 6.263 1.00 8.74 C ATOM 1048 O ALA A 70 -26.925 -2.045 6.506 1.00 9.31 O ATOM 1049 CB ALA A 70 -24.819 0.365 6.890 1.00 9.41 C ATOM 0 H ALA A 70 -22.839 -0.996 6.703 1.00 8.29 H new ATOM 0 HA ALA A 70 -25.214 -1.234 8.264 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -25.831 0.765 6.951 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -24.173 0.904 7.584 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -24.442 0.486 5.875 1.00 9.41 H new ATOM 1055 N LYS A 71 -25.143 -2.283 5.156 1.00 7.94 N ATOM 1056 CA LYS A 71 -25.870 -2.942 4.080 1.00 7.72 C ATOM 1057 C LYS A 71 -25.147 -4.228 3.666 1.00 7.00 C ATOM 1058 O LYS A 71 -25.543 -5.321 4.061 1.00 7.10 O ATOM 1059 CB LYS A 71 -26.025 -1.981 2.866 1.00 7.70 C ATOM 1060 CG LYS A 71 -26.750 -0.672 3.190 1.00 8.55 C ATOM 1061 CD LYS A 71 -28.155 -0.926 3.747 1.00 9.28 C ATOM 1062 CE LYS A 71 -28.870 0.364 4.147 1.00 10.04 C ATOM 1063 NZ LYS A 71 -29.129 1.269 2.997 1.00 10.32 N ATOM 0 H LYS A 71 -24.143 -2.185 4.979 1.00 7.94 H new ATOM 0 HA LYS A 71 -26.866 -3.206 4.436 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -25.035 -1.747 2.473 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -26.568 -2.498 2.075 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -26.168 -0.103 3.915 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -26.820 -0.062 2.289 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -28.750 -1.450 2.998 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -28.085 -1.582 4.614 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -29.817 0.114 4.625 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -28.268 0.891 4.888 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -29.630 2.118 3.329 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -28.225 1.548 2.564 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -29.713 0.776 2.292 1.00 10.32 H new ATOM 1077 N HIS A 72 -24.079 -4.053 2.864 1.00 6.33 N ATOM 1078 CA HIS A 72 -23.185 -5.143 2.391 1.00 5.62 C ATOM 1079 C HIS A 72 -24.001 -6.366 1.851 1.00 5.65 C ATOM 1080 O HIS A 72 -23.659 -7.502 2.173 1.00 5.60 O ATOM 1081 CB HIS A 72 -22.308 -5.577 3.597 1.00 5.47 C ATOM 1082 CG HIS A 72 -21.050 -6.332 3.299 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -20.025 -6.449 4.198 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -20.684 -7.025 2.237 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -19.081 -7.197 3.703 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -19.449 -7.576 2.494 1.00 7.47 N ATOM 0 H HIS A 72 -23.803 -3.135 2.517 1.00 6.33 H new ATOM 0 HA HIS A 72 -22.571 -4.783 1.565 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -22.038 -4.681 4.157 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -22.922 -6.192 4.255 1.00 5.47 H new ATOM 0 HD1 HIS A 72 -20.004 -6.014 5.120 1.00 6.44 H new ATOM 0 HD2 HIS A 72 -21.253 -7.140 1.326 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -18.157 -7.461 4.196 1.00 7.21 H new ATOM 1095 N PRO A 73 -25.037 -6.159 0.953 1.00 5.90 N ATOM 1096 CA PRO A 73 -25.916 -7.265 0.502 1.00 6.06 C ATOM 1097 C PRO A 73 -25.123 -8.396 -0.118 1.00 5.49 C ATOM 1098 O PRO A 73 -25.269 -9.551 0.262 1.00 5.49 O ATOM 1099 CB PRO A 73 -26.829 -6.605 -0.542 1.00 6.60 C ATOM 1100 CG PRO A 73 -26.798 -5.159 -0.204 1.00 6.81 C ATOM 1101 CD PRO A 73 -25.409 -4.886 0.304 1.00 6.21 C ATOM 0 HA PRO A 73 -26.465 -7.716 1.328 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -26.467 -6.783 -1.555 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -27.843 -7.003 -0.491 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -27.021 -4.548 -1.079 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -27.545 -4.918 0.552 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -24.726 -4.631 -0.506 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -25.393 -4.054 1.008 1.00 6.21 H new ATOM 1109 N LYS A 74 -24.274 -8.048 -1.054 1.00 5.12 N ATOM 1110 CA LYS A 74 -23.423 -9.001 -1.713 1.00 4.75 C ATOM 1111 C LYS A 74 -22.297 -8.273 -2.432 1.00 4.46 C ATOM 1112 O LYS A 74 -22.527 -7.549 -3.396 1.00 4.75 O ATOM 1113 CB LYS A 74 -24.232 -9.934 -2.669 1.00 5.23 C ATOM 1114 CG LYS A 74 -25.033 -9.223 -3.772 1.00 5.74 C ATOM 1115 CD LYS A 74 -25.869 -10.211 -4.566 1.00 6.36 C ATOM 1116 CE LYS A 74 -26.672 -9.534 -5.654 1.00 6.91 C ATOM 1117 NZ LYS A 74 -27.597 -10.477 -6.316 1.00 7.32 N ATOM 0 H LYS A 74 -24.155 -7.089 -1.380 1.00 5.12 H new ATOM 0 HA LYS A 74 -22.979 -9.654 -0.961 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -23.538 -10.630 -3.140 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -24.922 -10.528 -2.070 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -25.682 -8.469 -3.326 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -24.350 -8.700 -4.441 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -25.216 -10.961 -5.012 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -26.545 -10.737 -3.892 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -27.239 -8.707 -5.227 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -25.995 -9.108 -6.394 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -28.131 -9.978 -7.056 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -27.053 -11.253 -6.745 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -28.259 -10.865 -5.614 1.00 7.32 H new ATOM 1131 N ALA A 75 -21.095 -8.364 -1.887 1.00 4.19 N ATOM 1132 CA ALA A 75 -19.925 -7.813 -2.588 1.00 4.02 C ATOM 1133 C ALA A 75 -19.708 -8.584 -3.900 1.00 4.43 C ATOM 1134 O ALA A 75 -19.360 -9.757 -3.899 1.00 4.52 O ATOM 1135 CB ALA A 75 -18.667 -7.779 -1.695 1.00 3.36 C ATOM 0 H ALA A 75 -20.896 -8.800 -0.987 1.00 4.19 H new ATOM 0 HA ALA A 75 -20.122 -6.770 -2.834 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -17.832 -7.364 -2.259 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -18.859 -7.158 -0.820 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -18.421 -8.791 -1.374 1.00 3.36 H new ATOM 1141 N ASP A 76 -19.944 -7.890 -4.997 1.00 5.01 N ATOM 1142 CA ASP A 76 -19.989 -8.479 -6.348 1.00 5.63 C ATOM 1143 C ASP A 76 -18.739 -8.089 -7.158 1.00 5.81 C ATOM 1144 O ASP A 76 -17.725 -8.773 -7.115 1.00 5.63 O ATOM 1145 CB ASP A 76 -21.258 -7.950 -7.029 1.00 6.39 C ATOM 1146 CG ASP A 76 -21.576 -8.566 -8.369 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -20.904 -8.217 -9.355 1.00 6.82 O ATOM 1148 OD2 ASP A 76 -22.423 -9.436 -8.431 1.00 6.80 O ATOM 0 H ASP A 76 -20.114 -6.884 -4.989 1.00 5.01 H new ATOM 0 HA ASP A 76 -20.006 -9.567 -6.289 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -22.104 -8.115 -6.362 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -21.159 -6.872 -7.158 1.00 6.39 H new ATOM 1153 N VAL A 77 -18.795 -6.946 -7.838 1.00 6.30 N ATOM 1154 CA VAL A 77 -17.626 -6.405 -8.557 1.00 6.58 C ATOM 1155 C VAL A 77 -16.744 -5.667 -7.576 1.00 5.93 C ATOM 1156 O VAL A 77 -15.696 -5.123 -7.912 1.00 6.00 O ATOM 1157 CB VAL A 77 -18.029 -5.461 -9.717 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -18.819 -6.213 -10.772 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -18.837 -4.266 -9.199 1.00 7.55 C ATOM 0 H VAL A 77 -19.634 -6.371 -7.911 1.00 6.30 H new ATOM 0 HA VAL A 77 -17.088 -7.243 -9.001 1.00 6.58 H new ATOM 0 HB VAL A 77 -17.114 -5.083 -10.172 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -19.092 -5.531 -11.577 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -18.210 -7.023 -11.173 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -19.723 -6.626 -10.324 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -19.107 -3.620 -10.034 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -19.743 -4.624 -8.710 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -18.237 -3.703 -8.484 1.00 7.55 H new ATOM 1169 N VAL A 78 -17.220 -5.649 -6.374 1.00 5.38 N ATOM 1170 CA VAL A 78 -16.539 -5.074 -5.261 1.00 4.74 C ATOM 1171 C VAL A 78 -16.090 -6.198 -4.335 1.00 4.00 C ATOM 1172 O VAL A 78 -15.655 -5.958 -3.261 1.00 3.42 O ATOM 1173 CB VAL A 78 -17.454 -4.097 -4.473 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -17.934 -2.964 -5.360 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -18.634 -4.828 -3.896 1.00 4.70 C ATOM 0 H VAL A 78 -18.127 -6.049 -6.132 1.00 5.38 H new ATOM 0 HA VAL A 78 -15.684 -4.508 -5.631 1.00 4.74 H new ATOM 0 HB VAL A 78 -16.865 -3.674 -3.659 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -18.573 -2.295 -4.783 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -17.075 -2.409 -5.738 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -18.500 -3.372 -6.198 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -19.263 -4.127 -3.348 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -19.212 -5.280 -4.702 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -18.284 -5.607 -3.219 1.00 4.70 H new ATOM 1185 N ALA A 79 -16.207 -7.448 -4.798 1.00 4.18 N ATOM 1186 CA ALA A 79 -15.811 -8.623 -3.990 1.00 3.76 C ATOM 1187 C ALA A 79 -14.317 -8.594 -3.616 1.00 3.69 C ATOM 1188 O ALA A 79 -13.876 -9.236 -2.650 1.00 3.56 O ATOM 1189 CB ALA A 79 -16.174 -9.900 -4.711 1.00 4.24 C ATOM 0 H ALA A 79 -16.570 -7.679 -5.723 1.00 4.18 H new ATOM 0 HA ALA A 79 -16.366 -8.584 -3.053 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -15.877 -10.757 -4.106 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -17.251 -9.930 -4.879 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -15.656 -9.936 -5.670 1.00 4.24 H new ATOM 1195 N CYS A 80 -13.553 -7.843 -4.384 1.00 4.00 N ATOM 1196 CA CYS A 80 -12.143 -7.639 -4.147 1.00 4.07 C ATOM 1197 C CYS A 80 -11.919 -6.650 -2.990 1.00 3.33 C ATOM 1198 O CYS A 80 -10.816 -6.559 -2.433 1.00 3.38 O ATOM 1199 CB CYS A 80 -11.519 -7.114 -5.430 1.00 4.73 C ATOM 1200 SG CYS A 80 -11.643 -8.261 -6.821 1.00 5.60 S ATOM 0 H CYS A 80 -13.904 -7.350 -5.205 1.00 4.00 H new ATOM 0 HA CYS A 80 -11.675 -8.581 -3.862 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -12.002 -6.175 -5.701 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -10.468 -6.891 -5.247 1.00 4.73 H new ATOM 0 HG CYS A 80 -11.088 -7.732 -7.871 1.00 5.60 H new ATOM 1206 N PHE A 81 -12.962 -5.933 -2.649 1.00 2.86 N ATOM 1207 CA PHE A 81 -12.970 -4.931 -1.594 1.00 2.27 C ATOM 1208 C PHE A 81 -14.397 -4.752 -1.002 1.00 2.17 C ATOM 1209 O PHE A 81 -15.081 -3.757 -1.250 1.00 2.52 O ATOM 1210 CB PHE A 81 -12.347 -3.613 -2.095 1.00 2.41 C ATOM 1211 CG PHE A 81 -12.699 -3.247 -3.542 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -13.929 -2.682 -3.829 1.00 3.50 C ATOM 1213 CD2 PHE A 81 -11.811 -3.453 -4.581 1.00 3.67 C ATOM 1214 CE1 PHE A 81 -14.266 -2.345 -5.121 1.00 4.57 C ATOM 1215 CE2 PHE A 81 -12.148 -3.115 -5.874 1.00 4.68 C ATOM 1216 CZ PHE A 81 -13.300 -2.618 -6.176 1.00 5.13 C ATOM 0 H PHE A 81 -13.866 -6.030 -3.112 1.00 2.86 H new ATOM 0 HA PHE A 81 -12.345 -5.277 -0.771 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -12.670 -2.803 -1.441 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -11.263 -3.682 -2.006 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -14.633 -2.503 -3.030 1.00 3.50 H new ATOM 0 HD2 PHE A 81 -10.842 -3.884 -4.377 1.00 3.67 H new ATOM 0 HE1 PHE A 81 -15.220 -1.891 -5.346 1.00 4.57 H new ATOM 0 HE2 PHE A 81 -11.424 -3.271 -6.660 1.00 4.68 H new ATOM 0 HZ PHE A 81 -13.546 -2.406 -7.206 1.00 5.13 H new ATOM 1226 N PRO A 82 -14.870 -5.773 -0.231 1.00 2.09 N ATOM 1227 CA PRO A 82 -16.268 -5.854 0.275 1.00 2.39 C ATOM 1228 C PRO A 82 -16.693 -4.769 1.257 1.00 2.74 C ATOM 1229 O PRO A 82 -17.845 -4.744 1.685 1.00 3.27 O ATOM 1230 CB PRO A 82 -16.340 -7.238 0.940 1.00 2.47 C ATOM 1231 CG PRO A 82 -15.161 -7.979 0.413 1.00 2.41 C ATOM 1232 CD PRO A 82 -14.095 -6.952 0.184 1.00 2.19 C ATOM 0 HA PRO A 82 -16.958 -5.703 -0.555 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -16.302 -7.157 2.026 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -17.271 -7.748 0.691 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -14.827 -8.736 1.123 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -15.408 -8.497 -0.513 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -13.517 -6.760 1.088 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -13.389 -7.265 -0.586 1.00 2.19 H new ATOM 1240 N HIS A 83 -15.812 -3.882 1.603 1.00 2.68 N ATOM 1241 CA HIS A 83 -16.197 -2.801 2.492 1.00 3.26 C ATOM 1242 C HIS A 83 -16.650 -1.606 1.683 1.00 3.66 C ATOM 1243 O HIS A 83 -17.015 -0.604 2.227 1.00 4.25 O ATOM 1244 CB HIS A 83 -15.060 -2.390 3.443 1.00 3.25 C ATOM 1245 CG HIS A 83 -14.638 -3.463 4.406 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -15.372 -3.815 5.531 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -13.554 -4.269 4.408 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -14.749 -4.796 6.168 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -13.648 -5.081 5.504 1.00 4.19 N ATOM 0 H HIS A 83 -14.839 -3.873 1.298 1.00 2.68 H new ATOM 0 HA HIS A 83 -17.019 -3.165 3.109 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -14.196 -2.092 2.849 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -15.375 -1.514 4.010 1.00 3.25 H new ATOM 0 HD2 HIS A 83 -12.759 -4.272 3.677 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -15.086 -5.278 7.074 1.00 4.24 H new ATOM 0 HE2 HIS A 83 -12.970 -5.797 5.767 1.00 4.19 H new ATOM 1258 N LEU A 84 -16.613 -1.732 0.366 1.00 3.56 N ATOM 1259 CA LEU A 84 -16.930 -0.634 -0.486 1.00 4.20 C ATOM 1260 C LEU A 84 -18.185 -0.924 -1.331 1.00 4.81 C ATOM 1261 O LEU A 84 -18.404 -0.258 -2.346 1.00 5.47 O ATOM 1262 CB LEU A 84 -15.745 -0.431 -1.415 1.00 4.05 C ATOM 1263 CG LEU A 84 -14.341 -0.456 -0.753 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -13.268 -0.165 -1.776 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -14.212 0.511 0.430 1.00 3.49 C ATOM 0 H LEU A 84 -16.364 -2.592 -0.122 1.00 3.56 H new ATOM 0 HA LEU A 84 -17.131 0.251 0.117 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -15.775 -1.204 -2.183 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -15.867 0.526 -1.922 1.00 4.05 H new ATOM 0 HG LEU A 84 -14.209 -1.462 -0.355 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -12.290 -0.187 -1.294 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -13.301 -0.919 -2.563 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -13.437 0.820 -2.210 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -13.207 0.444 0.847 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -14.396 1.530 0.089 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -14.941 0.248 1.196 1.00 3.49 H new ATOM 1277 N LYS A 85 -18.997 -1.940 -0.929 1.00 4.68 N ATOM 1278 CA LYS A 85 -20.245 -2.252 -1.686 1.00 5.28 C ATOM 1279 C LYS A 85 -21.154 -1.025 -1.874 1.00 6.06 C ATOM 1280 O LYS A 85 -21.629 -0.767 -2.995 1.00 6.40 O ATOM 1281 CB LYS A 85 -21.052 -3.410 -1.066 1.00 5.04 C ATOM 1282 CG LYS A 85 -22.329 -3.753 -1.867 1.00 5.59 C ATOM 1283 CD LYS A 85 -21.980 -4.262 -3.265 1.00 6.41 C ATOM 1284 CE LYS A 85 -23.210 -4.490 -4.154 1.00 7.19 C ATOM 1285 NZ LYS A 85 -23.873 -3.217 -4.557 1.00 8.04 N ATOM 0 H LYS A 85 -18.823 -2.536 -0.120 1.00 4.68 H new ATOM 0 HA LYS A 85 -19.898 -2.571 -2.669 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -20.419 -4.295 -1.006 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -21.330 -3.146 -0.045 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -22.904 -4.510 -1.334 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -22.961 -2.869 -1.946 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -21.318 -3.545 -3.750 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -21.427 -5.197 -3.176 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -22.911 -5.038 -5.048 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -23.927 -5.116 -3.622 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -24.676 -3.427 -5.183 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -24.215 -2.720 -3.710 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -23.191 -2.614 -5.060 1.00 8.04 H new ATOM 1299 N LYS A 86 -21.436 -0.330 -0.808 1.00 6.60 N ATOM 1300 CA LYS A 86 -22.237 0.838 -0.844 1.00 7.50 C ATOM 1301 C LYS A 86 -21.837 1.670 0.313 1.00 8.13 C ATOM 1302 O LYS A 86 -21.758 2.924 0.184 1.00 8.62 O ATOM 1303 CB LYS A 86 -23.730 0.495 -0.774 1.00 8.04 C ATOM 1304 CG LYS A 86 -24.650 1.723 -0.782 1.00 8.96 C ATOM 1305 CD LYS A 86 -26.120 1.339 -0.756 1.00 9.74 C ATOM 1306 CE LYS A 86 -26.489 0.519 -1.975 1.00 10.66 C ATOM 1307 NZ LYS A 86 -27.936 0.185 -2.028 1.00 11.10 N ATOM 1308 OXT LYS A 86 -21.562 1.066 1.366 1.00 8.37 O ATOM 0 H LYS A 86 -21.103 -0.574 0.125 1.00 6.60 H new ATOM 0 HA LYS A 86 -22.085 1.372 -1.782 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -23.986 -0.144 -1.619 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -23.918 -0.082 0.131 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -24.425 2.349 0.081 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -24.448 2.320 -1.671 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -26.335 0.770 0.148 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -26.734 2.239 -0.719 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -26.215 1.070 -2.875 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -25.908 -0.403 -1.977 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -28.132 -0.376 -2.882 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -28.196 -0.365 -1.185 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -28.494 1.062 -2.055 1.00 11.10 H new TER 1322 LYS A 86