USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 600 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 66 ASN :FLIP amide:sc= -0.655 F(o=-1.7!,f=0.34) USER MOD Set 1.2: A 67 THR OG1 : rot 83:sc= 0.998 USER MOD Set 2.1: A 20 HIS : no HE2:sc= -3.03 K(o=-3.1,f=-6.5!) USER MOD Set 2.2: A 54 GLN : amide:sc= -0.0588 X(o=-3.1,f=-3.1) USER MOD Single : A 16 SER OG : rot 170:sc= 0.828 USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.398 (180deg=-0.805) USER MOD Single : A 29 THR OG1 : rot -79:sc= 0.77 USER MOD Single : A 35 SER OG : rot 79:sc= 0.82 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -2.98! USER MOD Single : A 45 ASN : amide:sc= -0.0491 X(o=-0.049,f=-0.051) USER MOD Single : A 48 MET CE :methyl -163:sc= -3.83 (180deg=-4.52!) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0328 (180deg=-0.496) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.37! C(o=-4.7!,f=-3.4!) USER MOD Single : A 59 MET CE :methyl -175:sc= -3.58! (180deg=-3.72!) USER MOD Single : A 60 ASN :FLIP amide:sc= -13.1! C(o=-19!,f=-13!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -175:sc= 0 (180deg=-0.0532) USER MOD Single : A 70 ASN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 105:sc= -5.73! USER MOD Single : A 73 THR OG1 : rot 115:sc= -0.0742 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -139:sc= 0.139 USER MOD Single : A 82 GLN : amide:sc= -0.669 X(o=-0.67,f=-1.2) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 16 -10.577 5.565 1.281 1.00 0.00 N ATOM 49 CA SER A 16 -10.107 4.188 1.190 1.00 0.00 C ATOM 50 C SER A 16 -9.393 3.770 2.471 1.00 0.00 C ATOM 51 O SER A 16 -8.927 4.613 3.238 1.00 0.00 O ATOM 52 CB SER A 16 -9.166 4.026 -0.007 1.00 0.00 C ATOM 53 OG SER A 16 -9.864 4.182 -1.229 1.00 0.00 O ATOM 0 HA SER A 16 -10.975 3.543 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.365 4.762 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.698 3.042 0.025 1.00 0.00 H new ATOM 0 HG SER A 16 -9.222 4.232 -1.968 1.00 0.00 H new ATOM 59 N ARG A 17 -9.311 2.462 2.698 1.00 0.00 N ATOM 60 CA ARG A 17 -8.653 1.931 3.886 1.00 0.00 C ATOM 61 C ARG A 17 -7.542 0.959 3.505 1.00 0.00 C ATOM 62 O ARG A 17 -6.424 1.049 4.011 1.00 0.00 O ATOM 63 CB ARG A 17 -9.673 1.232 4.788 1.00 0.00 C ATOM 64 CG ARG A 17 -10.925 2.054 5.040 1.00 0.00 C ATOM 65 CD ARG A 17 -10.718 3.053 6.169 1.00 0.00 C ATOM 66 NE ARG A 17 -11.984 3.483 6.757 1.00 0.00 N ATOM 67 CZ ARG A 17 -12.087 4.018 7.969 1.00 0.00 C ATOM 68 NH1 ARG A 17 -11.005 4.187 8.716 1.00 0.00 N ATOM 69 NH2 ARG A 17 -13.273 4.385 8.434 1.00 0.00 N ATOM 0 H ARG A 17 -9.692 1.751 2.074 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.209 2.765 4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.957 0.283 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.202 1.000 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.202 2.585 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.754 1.390 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.094 2.603 6.941 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.180 3.922 5.790 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.835 3.366 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.091 3.906 8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.086 4.598 9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.107 4.257 7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.351 4.796 9.364 1.00 0.00 H new ATOM 83 N VAL A 18 -7.857 0.030 2.606 1.00 0.00 N ATOM 84 CA VAL A 18 -6.882 -0.957 2.156 1.00 0.00 C ATOM 85 C VAL A 18 -6.078 -0.430 0.973 1.00 0.00 C ATOM 86 O VAL A 18 -6.529 -0.482 -0.171 1.00 0.00 O ATOM 87 CB VAL A 18 -7.563 -2.278 1.752 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.546 -3.407 1.690 1.00 0.00 C ATOM 89 CG2 VAL A 18 -8.688 -2.616 2.719 1.00 0.00 C ATOM 0 H VAL A 18 -8.778 -0.059 2.176 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.212 -1.146 2.995 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.994 -2.154 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.046 -4.332 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.779 -3.166 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.083 -3.534 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.158 -3.552 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.283 -2.720 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.430 -1.818 2.707 1.00 0.00 H new ATOM 99 N ILE A 19 -4.885 0.082 1.259 1.00 0.00 N ATOM 100 CA ILE A 19 -4.017 0.623 0.221 1.00 0.00 C ATOM 101 C ILE A 19 -3.230 -0.483 -0.475 1.00 0.00 C ATOM 102 O ILE A 19 -2.334 -1.088 0.115 1.00 0.00 O ATOM 103 CB ILE A 19 -3.031 1.655 0.801 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.791 2.783 1.501 1.00 0.00 C ATOM 105 CG2 ILE A 19 -2.138 2.210 -0.298 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.860 3.419 0.638 1.00 0.00 C ATOM 0 H ILE A 19 -4.498 0.133 2.201 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.662 1.114 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.400 1.158 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.253 2.391 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.082 3.550 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.447 2.938 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.573 1.397 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.753 2.694 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.357 4.210 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.402 3.841 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.591 2.664 0.349 1.00 0.00 H new ATOM 118 N HIS A 20 -3.567 -0.738 -1.736 1.00 0.00 N ATOM 119 CA HIS A 20 -2.893 -1.768 -2.517 1.00 0.00 C ATOM 120 C HIS A 20 -1.567 -1.250 -3.068 1.00 0.00 C ATOM 121 O HIS A 20 -1.373 -0.044 -3.215 1.00 0.00 O ATOM 122 CB HIS A 20 -3.788 -2.235 -3.667 1.00 0.00 C ATOM 123 CG HIS A 20 -3.056 -3.009 -4.719 1.00 0.00 C ATOM 124 ND1 HIS A 20 -2.935 -2.580 -6.024 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.404 -4.194 -4.654 1.00 0.00 C ATOM 126 CE1 HIS A 20 -2.242 -3.467 -6.715 1.00 0.00 C ATOM 127 NE2 HIS A 20 -1.907 -4.455 -5.907 1.00 0.00 N ATOM 0 H HIS A 20 -4.304 -0.244 -2.239 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.689 -2.613 -1.859 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.590 -2.854 -3.264 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.257 -1.366 -4.128 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -3.321 -1.713 -6.397 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.295 -4.818 -3.779 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.992 -3.396 -7.763 1.00 0.00 H new ATOM 136 N ILE A 21 -0.655 -2.169 -3.365 1.00 0.00 N ATOM 137 CA ILE A 21 0.652 -1.800 -3.895 1.00 0.00 C ATOM 138 C ILE A 21 1.004 -2.622 -5.129 1.00 0.00 C ATOM 139 O ILE A 21 1.306 -3.811 -5.031 1.00 0.00 O ATOM 140 CB ILE A 21 1.757 -1.983 -2.838 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.220 -1.653 -1.444 1.00 0.00 C ATOM 142 CG2 ILE A 21 2.956 -1.109 -3.174 1.00 0.00 C ATOM 143 CD1 ILE A 21 2.305 -1.430 -0.414 1.00 0.00 C ATOM 0 H ILE A 21 -0.796 -3.172 -3.248 1.00 0.00 H new ATOM 0 HA ILE A 21 0.592 -0.748 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 21 2.078 -3.025 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.599 -0.759 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.575 -2.466 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.730 -1.247 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.348 -1.389 -4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.650 -0.063 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.850 -1.201 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.912 -2.331 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.936 -0.597 -0.725 1.00 0.00 H new ATOM 155 N ARG A 22 0.969 -1.978 -6.292 1.00 0.00 N ATOM 156 CA ARG A 22 1.292 -2.647 -7.547 1.00 0.00 C ATOM 157 C ARG A 22 2.748 -2.396 -7.927 1.00 0.00 C ATOM 158 O ARG A 22 3.454 -1.653 -7.247 1.00 0.00 O ATOM 159 CB ARG A 22 0.366 -2.163 -8.665 1.00 0.00 C ATOM 160 CG ARG A 22 0.741 -0.799 -9.220 1.00 0.00 C ATOM 161 CD ARG A 22 -0.182 -0.390 -10.357 1.00 0.00 C ATOM 162 NE ARG A 22 0.468 -0.504 -11.659 1.00 0.00 N ATOM 163 CZ ARG A 22 -0.181 -0.427 -12.816 1.00 0.00 C ATOM 164 NH1 ARG A 22 -1.494 -0.235 -12.831 1.00 0.00 N ATOM 165 NH2 ARG A 22 0.481 -0.540 -13.959 1.00 0.00 N ATOM 0 H ARG A 22 0.720 -0.994 -6.391 1.00 0.00 H new ATOM 0 HA ARG A 22 1.146 -3.719 -7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.378 -2.891 -9.476 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.656 -2.124 -8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.693 -0.055 -8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.771 -0.820 -9.575 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.075 -1.015 -10.342 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.511 0.638 -10.205 1.00 0.00 H new ATOM 0 HE ARG A 22 1.477 -0.651 -11.682 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.006 -0.146 -11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.991 -0.176 -13.720 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.490 -0.686 -13.951 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.019 -0.481 -14.846 1.00 0.00 H new ATOM 179 N LYS A 23 3.194 -3.020 -9.013 1.00 0.00 N ATOM 180 CA LYS A 23 4.571 -2.855 -9.461 1.00 0.00 C ATOM 181 C LYS A 23 5.523 -2.925 -8.275 1.00 0.00 C ATOM 182 O LYS A 23 6.557 -2.259 -8.253 1.00 0.00 O ATOM 183 CB LYS A 23 4.741 -1.517 -10.180 1.00 0.00 C ATOM 184 CG LYS A 23 5.410 -1.636 -11.540 1.00 0.00 C ATOM 185 CD LYS A 23 6.652 -0.765 -11.629 1.00 0.00 C ATOM 186 CE LYS A 23 7.174 -0.684 -13.054 1.00 0.00 C ATOM 187 NZ LYS A 23 6.071 -0.734 -14.053 1.00 0.00 N ATOM 0 H LYS A 23 2.628 -3.639 -9.594 1.00 0.00 H new ATOM 0 HA LYS A 23 4.806 -3.662 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.762 -1.055 -10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.331 -0.849 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.680 -2.676 -11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.705 -1.347 -12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.422 0.237 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.428 -1.168 -10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.738 0.240 -13.182 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.865 -1.507 -13.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.428 -0.426 -14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.713 -1.708 -14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.301 -0.104 -13.751 1.00 0.00 H new ATOM 201 N LEU A 24 5.158 -3.733 -7.285 1.00 0.00 N ATOM 202 CA LEU A 24 5.969 -3.885 -6.087 1.00 0.00 C ATOM 203 C LEU A 24 6.450 -5.322 -5.934 1.00 0.00 C ATOM 204 O LEU A 24 5.711 -6.184 -5.461 1.00 0.00 O ATOM 205 CB LEU A 24 5.160 -3.477 -4.851 1.00 0.00 C ATOM 206 CG LEU A 24 5.971 -3.270 -3.569 1.00 0.00 C ATOM 207 CD1 LEU A 24 5.044 -3.044 -2.386 1.00 0.00 C ATOM 208 CD2 LEU A 24 6.882 -4.461 -3.309 1.00 0.00 C ATOM 0 H LEU A 24 4.305 -4.292 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 24 6.840 -3.237 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.628 -2.553 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.406 -4.242 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 24 6.594 -2.385 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.636 -2.899 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.433 -2.159 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.397 -3.912 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.449 -4.292 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.280 -5.363 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.571 -4.582 -4.145 1.00 0.00 H new ATOM 220 N PRO A 25 7.704 -5.598 -6.322 1.00 0.00 N ATOM 221 CA PRO A 25 8.278 -6.938 -6.206 1.00 0.00 C ATOM 222 C PRO A 25 8.367 -7.373 -4.752 1.00 0.00 C ATOM 223 O PRO A 25 9.462 -7.507 -4.204 1.00 0.00 O ATOM 224 CB PRO A 25 9.675 -6.797 -6.819 1.00 0.00 C ATOM 225 CG PRO A 25 9.981 -5.340 -6.753 1.00 0.00 C ATOM 226 CD PRO A 25 8.661 -4.631 -6.883 1.00 0.00 C ATOM 0 HA PRO A 25 7.673 -7.694 -6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.410 -7.380 -6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.693 -7.158 -7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.469 -5.086 -5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.661 -5.048 -7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.653 -3.691 -6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.432 -4.394 -7.922 1.00 0.00 H new ATOM 234 N ILE A 26 7.195 -7.571 -4.139 1.00 0.00 N ATOM 235 CA ILE A 26 7.086 -7.978 -2.736 1.00 0.00 C ATOM 236 C ILE A 26 8.407 -8.500 -2.187 1.00 0.00 C ATOM 237 O ILE A 26 8.883 -9.560 -2.595 1.00 0.00 O ATOM 238 CB ILE A 26 5.998 -9.052 -2.552 1.00 0.00 C ATOM 239 CG1 ILE A 26 4.644 -8.514 -3.009 1.00 0.00 C ATOM 240 CG2 ILE A 26 5.930 -9.497 -1.100 1.00 0.00 C ATOM 241 CD1 ILE A 26 4.163 -7.331 -2.197 1.00 0.00 C ATOM 0 H ILE A 26 6.295 -7.453 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 26 6.810 -7.084 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 26 6.255 -9.916 -3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.712 -8.222 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.904 -9.312 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.156 -10.256 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.892 -9.913 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.693 -8.641 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.196 -6.999 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.063 -7.624 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.883 -6.517 -2.279 1.00 0.00 H new ATOM 253 N ASP A 27 8.985 -7.738 -1.259 1.00 0.00 N ATOM 254 CA ASP A 27 10.254 -8.091 -0.632 1.00 0.00 C ATOM 255 C ASP A 27 11.049 -6.844 -0.232 1.00 0.00 C ATOM 256 O ASP A 27 12.046 -6.945 0.482 1.00 0.00 O ATOM 257 CB ASP A 27 11.099 -8.962 -1.561 1.00 0.00 C ATOM 258 CG ASP A 27 12.545 -9.057 -1.113 1.00 0.00 C ATOM 259 OD1 ASP A 27 12.778 -9.383 0.070 1.00 0.00 O ATOM 260 OD2 ASP A 27 13.442 -8.805 -1.943 1.00 0.00 O ATOM 0 H ASP A 27 8.586 -6.861 -0.923 1.00 0.00 H new ATOM 0 HA ASP A 27 10.019 -8.656 0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.669 -9.963 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.061 -8.553 -2.571 1.00 0.00 H new ATOM 265 N VAL A 28 10.609 -5.668 -0.691 1.00 0.00 N ATOM 266 CA VAL A 28 11.298 -4.421 -0.365 1.00 0.00 C ATOM 267 C VAL A 28 11.318 -4.162 1.131 1.00 0.00 C ATOM 268 O VAL A 28 12.042 -3.295 1.620 1.00 0.00 O ATOM 269 CB VAL A 28 10.670 -3.214 -1.086 1.00 0.00 C ATOM 270 CG1 VAL A 28 10.513 -3.501 -2.572 1.00 0.00 C ATOM 271 CG2 VAL A 28 9.332 -2.853 -0.460 1.00 0.00 C ATOM 0 H VAL A 28 9.786 -5.556 -1.284 1.00 0.00 H new ATOM 0 HA VAL A 28 12.324 -4.541 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 28 11.338 -2.360 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.068 -2.637 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.491 -3.704 -3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.868 -4.369 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.904 -1.998 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.653 -3.702 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.478 -2.600 0.590 1.00 0.00 H new ATOM 281 N THR A 29 10.528 -4.936 1.837 1.00 0.00 N ATOM 282 CA THR A 29 10.425 -4.853 3.292 1.00 0.00 C ATOM 283 C THR A 29 9.334 -3.887 3.732 1.00 0.00 C ATOM 284 O THR A 29 8.984 -2.949 3.015 1.00 0.00 O ATOM 285 CB THR A 29 11.756 -4.428 3.942 1.00 0.00 C ATOM 286 OG1 THR A 29 11.893 -3.003 3.905 1.00 0.00 O ATOM 287 CG2 THR A 29 12.935 -5.078 3.236 1.00 0.00 C ATOM 0 H THR A 29 9.929 -5.651 1.423 1.00 0.00 H new ATOM 0 HA THR A 29 10.169 -5.858 3.628 1.00 0.00 H new ATOM 0 HB THR A 29 11.747 -4.760 4.980 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.183 -2.725 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 29 13.863 -4.763 3.713 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.844 -6.162 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.944 -4.775 2.189 1.00 0.00 H new ATOM 295 N GLU A 30 8.809 -4.127 4.928 1.00 0.00 N ATOM 296 CA GLU A 30 7.761 -3.285 5.489 1.00 0.00 C ATOM 297 C GLU A 30 8.319 -1.920 5.868 1.00 0.00 C ATOM 298 O GLU A 30 7.686 -0.891 5.631 1.00 0.00 O ATOM 299 CB GLU A 30 7.144 -3.957 6.717 1.00 0.00 C ATOM 300 CG GLU A 30 6.814 -5.424 6.504 1.00 0.00 C ATOM 301 CD GLU A 30 7.924 -6.345 6.969 1.00 0.00 C ATOM 302 OE1 GLU A 30 9.095 -6.087 6.620 1.00 0.00 O ATOM 303 OE2 GLU A 30 7.623 -7.325 7.684 1.00 0.00 O ATOM 0 H GLU A 30 9.094 -4.900 5.529 1.00 0.00 H new ATOM 0 HA GLU A 30 6.987 -3.148 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.834 -3.866 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.234 -3.425 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.897 -5.668 7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.621 -5.599 5.446 1.00 0.00 H new ATOM 310 N GLY A 31 9.514 -1.917 6.451 1.00 0.00 N ATOM 311 CA GLY A 31 10.141 -0.672 6.844 1.00 0.00 C ATOM 312 C GLY A 31 9.983 0.402 5.788 1.00 0.00 C ATOM 313 O GLY A 31 9.828 1.580 6.107 1.00 0.00 O ATOM 0 H GLY A 31 10.058 -2.755 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.704 -0.326 7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.201 -0.843 7.031 1.00 0.00 H new ATOM 317 N GLU A 32 10.017 -0.010 4.524 1.00 0.00 N ATOM 318 CA GLU A 32 9.870 0.921 3.413 1.00 0.00 C ATOM 319 C GLU A 32 8.399 1.251 3.181 1.00 0.00 C ATOM 320 O GLU A 32 8.033 2.412 3.004 1.00 0.00 O ATOM 321 CB GLU A 32 10.478 0.330 2.140 1.00 0.00 C ATOM 322 CG GLU A 32 11.234 1.345 1.298 1.00 0.00 C ATOM 323 CD GLU A 32 10.360 1.995 0.244 1.00 0.00 C ATOM 324 OE1 GLU A 32 9.286 2.522 0.606 1.00 0.00 O ATOM 325 OE2 GLU A 32 10.748 1.978 -0.943 1.00 0.00 O ATOM 0 H GLU A 32 10.145 -0.983 4.245 1.00 0.00 H new ATOM 0 HA GLU A 32 10.399 1.840 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.155 -0.479 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.683 -0.109 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.646 2.116 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.077 0.853 0.813 1.00 0.00 H new ATOM 332 N VAL A 33 7.561 0.219 3.190 1.00 0.00 N ATOM 333 CA VAL A 33 6.128 0.398 2.986 1.00 0.00 C ATOM 334 C VAL A 33 5.536 1.318 4.049 1.00 0.00 C ATOM 335 O VAL A 33 4.953 2.357 3.734 1.00 0.00 O ATOM 336 CB VAL A 33 5.384 -0.950 3.014 1.00 0.00 C ATOM 337 CG1 VAL A 33 3.943 -0.775 2.561 1.00 0.00 C ATOM 338 CG2 VAL A 33 6.103 -1.975 2.151 1.00 0.00 C ATOM 0 H VAL A 33 7.849 -0.748 3.336 1.00 0.00 H new ATOM 0 HA VAL A 33 6.000 0.852 2.003 1.00 0.00 H new ATOM 0 HB VAL A 33 5.374 -1.317 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.434 -1.738 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.435 -0.077 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.926 -0.384 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.563 -2.921 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.148 -1.617 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.115 -2.122 2.528 1.00 0.00 H new ATOM 348 N ILE A 34 5.692 0.932 5.311 1.00 0.00 N ATOM 349 CA ILE A 34 5.179 1.719 6.417 1.00 0.00 C ATOM 350 C ILE A 34 5.890 3.067 6.494 1.00 0.00 C ATOM 351 O ILE A 34 5.262 4.096 6.742 1.00 0.00 O ATOM 352 CB ILE A 34 5.343 0.959 7.749 1.00 0.00 C ATOM 353 CG1 ILE A 34 4.274 -0.128 7.872 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.268 1.913 8.927 1.00 0.00 C ATOM 355 CD1 ILE A 34 4.804 -1.527 7.643 1.00 0.00 C ATOM 0 H ILE A 34 6.172 0.076 5.590 1.00 0.00 H new ATOM 0 HA ILE A 34 4.117 1.893 6.243 1.00 0.00 H new ATOM 0 HB ILE A 34 6.325 0.487 7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.827 -0.076 8.865 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.479 0.073 7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.386 1.355 9.856 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.063 2.655 8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.301 2.416 8.927 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.991 -2.246 7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.225 -1.597 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.578 -1.748 8.378 1.00 0.00 H new ATOM 367 N SER A 35 7.202 3.057 6.274 1.00 0.00 N ATOM 368 CA SER A 35 7.986 4.285 6.313 1.00 0.00 C ATOM 369 C SER A 35 7.232 5.415 5.625 1.00 0.00 C ATOM 370 O SER A 35 7.180 6.539 6.125 1.00 0.00 O ATOM 371 CB SER A 35 9.343 4.076 5.638 1.00 0.00 C ATOM 372 OG SER A 35 10.352 3.799 6.593 1.00 0.00 O ATOM 0 H SER A 35 7.741 2.216 6.068 1.00 0.00 H new ATOM 0 HA SER A 35 8.152 4.554 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.276 3.253 4.927 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.611 4.967 5.070 1.00 0.00 H new ATOM 0 HG SER A 35 10.291 2.861 6.871 1.00 0.00 H new ATOM 378 N LEU A 36 6.640 5.103 4.477 1.00 0.00 N ATOM 379 CA LEU A 36 5.877 6.084 3.720 1.00 0.00 C ATOM 380 C LEU A 36 4.560 6.392 4.421 1.00 0.00 C ATOM 381 O LEU A 36 4.094 7.531 4.421 1.00 0.00 O ATOM 382 CB LEU A 36 5.608 5.568 2.305 1.00 0.00 C ATOM 383 CG LEU A 36 6.722 5.839 1.294 1.00 0.00 C ATOM 384 CD1 LEU A 36 8.069 5.419 1.861 1.00 0.00 C ATOM 385 CD2 LEU A 36 6.443 5.113 -0.013 1.00 0.00 C ATOM 0 H LEU A 36 6.675 4.177 4.051 1.00 0.00 H new ATOM 0 HA LEU A 36 6.462 7.002 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.436 4.493 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.687 6.022 1.938 1.00 0.00 H new ATOM 0 HG LEU A 36 6.752 6.910 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.851 5.619 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.272 5.983 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.051 4.354 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.246 5.317 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.386 4.040 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.497 5.461 -0.427 1.00 0.00 H new ATOM 397 N GLY A 37 3.967 5.365 5.022 1.00 0.00 N ATOM 398 CA GLY A 37 2.711 5.541 5.725 1.00 0.00 C ATOM 399 C GLY A 37 2.873 6.329 7.011 1.00 0.00 C ATOM 400 O GLY A 37 1.910 6.902 7.521 1.00 0.00 O ATOM 0 H GLY A 37 4.335 4.414 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.003 6.054 5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.285 4.564 5.952 1.00 0.00 H new ATOM 404 N LEU A 38 4.095 6.360 7.535 1.00 0.00 N ATOM 405 CA LEU A 38 4.378 7.086 8.768 1.00 0.00 C ATOM 406 C LEU A 38 3.722 8.462 8.747 1.00 0.00 C ATOM 407 O LEU A 38 2.869 8.766 9.581 1.00 0.00 O ATOM 408 CB LEU A 38 5.888 7.227 8.967 1.00 0.00 C ATOM 409 CG LEU A 38 6.462 6.455 10.157 1.00 0.00 C ATOM 410 CD1 LEU A 38 5.969 5.015 10.148 1.00 0.00 C ATOM 411 CD2 LEU A 38 7.982 6.499 10.135 1.00 0.00 C ATOM 0 H LEU A 38 4.903 5.892 7.126 1.00 0.00 H new ATOM 0 HA LEU A 38 3.963 6.518 9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.391 6.892 8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.125 8.284 9.091 1.00 0.00 H new ATOM 0 HG LEU A 38 6.116 6.930 11.075 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.388 4.482 11.002 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.881 5.003 10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.285 4.528 9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.374 5.945 10.988 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.346 6.048 9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.317 7.535 10.190 1.00 0.00 H new ATOM 423 N PRO A 39 4.108 9.310 7.782 1.00 0.00 N ATOM 424 CA PRO A 39 3.549 10.658 7.645 1.00 0.00 C ATOM 425 C PRO A 39 2.078 10.619 7.248 1.00 0.00 C ATOM 426 O PRO A 39 1.263 11.386 7.761 1.00 0.00 O ATOM 427 CB PRO A 39 4.390 11.285 6.531 1.00 0.00 C ATOM 428 CG PRO A 39 4.916 10.129 5.753 1.00 0.00 C ATOM 429 CD PRO A 39 5.112 9.017 6.746 1.00 0.00 C ATOM 0 HA PRO A 39 3.585 11.217 8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.788 11.943 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.201 11.888 6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.217 9.835 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.855 10.384 5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.949 8.039 6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.123 9.015 7.154 1.00 0.00 H new ATOM 437 N PHE A 40 1.749 9.712 6.335 1.00 0.00 N ATOM 438 CA PHE A 40 0.378 9.556 5.866 1.00 0.00 C ATOM 439 C PHE A 40 -0.570 9.337 7.038 1.00 0.00 C ATOM 440 O PHE A 40 -1.748 9.687 6.974 1.00 0.00 O ATOM 441 CB PHE A 40 0.293 8.376 4.895 1.00 0.00 C ATOM 442 CG PHE A 40 1.081 8.589 3.635 1.00 0.00 C ATOM 443 CD1 PHE A 40 1.293 9.867 3.145 1.00 0.00 C ATOM 444 CD2 PHE A 40 1.617 7.513 2.945 1.00 0.00 C ATOM 445 CE1 PHE A 40 2.022 10.069 1.988 1.00 0.00 C ATOM 446 CE2 PHE A 40 2.348 7.710 1.788 1.00 0.00 C ATOM 447 CZ PHE A 40 2.551 8.989 1.310 1.00 0.00 C ATOM 0 H PHE A 40 2.416 9.072 5.904 1.00 0.00 H new ATOM 0 HA PHE A 40 0.081 10.469 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.654 7.477 5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.751 8.200 4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.884 10.716 3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.462 6.510 3.315 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.178 11.071 1.615 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.760 6.864 1.259 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.123 9.145 0.407 1.00 0.00 H new ATOM 457 N GLY A 41 -0.043 8.755 8.109 1.00 0.00 N ATOM 458 CA GLY A 41 -0.850 8.495 9.284 1.00 0.00 C ATOM 459 C GLY A 41 -0.319 7.332 10.097 1.00 0.00 C ATOM 460 O GLY A 41 0.709 7.450 10.762 1.00 0.00 O ATOM 0 H GLY A 41 0.930 8.459 8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.879 9.389 9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.875 8.285 8.979 1.00 0.00 H new ATOM 464 N LYS A 42 -1.017 6.204 10.038 1.00 0.00 N ATOM 465 CA LYS A 42 -0.604 5.016 10.773 1.00 0.00 C ATOM 466 C LYS A 42 -1.051 3.747 10.056 1.00 0.00 C ATOM 467 O LYS A 42 -2.144 3.692 9.494 1.00 0.00 O ATOM 468 CB LYS A 42 -1.178 5.041 12.190 1.00 0.00 C ATOM 469 CG LYS A 42 -0.291 5.763 13.193 1.00 0.00 C ATOM 470 CD LYS A 42 -1.105 6.357 14.330 1.00 0.00 C ATOM 471 CE LYS A 42 -1.588 5.281 15.290 1.00 0.00 C ATOM 472 NZ LYS A 42 -1.617 5.767 16.697 1.00 0.00 N ATOM 0 H LYS A 42 -1.869 6.088 9.490 1.00 0.00 H new ATOM 0 HA LYS A 42 0.485 5.017 10.828 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.155 5.523 12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.335 4.017 12.528 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.445 5.067 13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.262 6.555 12.688 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.500 7.084 14.871 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.962 6.895 13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.586 4.955 14.998 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.935 4.411 15.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.952 5.005 17.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.660 6.055 16.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.260 6.581 16.770 1.00 0.00 H new ATOM 486 N VAL A 43 -0.202 2.726 10.087 1.00 0.00 N ATOM 487 CA VAL A 43 -0.517 1.456 9.447 1.00 0.00 C ATOM 488 C VAL A 43 -1.303 0.560 10.397 1.00 0.00 C ATOM 489 O VAL A 43 -0.815 0.190 11.465 1.00 0.00 O ATOM 490 CB VAL A 43 0.759 0.722 8.990 1.00 0.00 C ATOM 491 CG1 VAL A 43 0.447 -0.720 8.619 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.400 1.453 7.820 1.00 0.00 C ATOM 0 H VAL A 43 0.708 2.753 10.548 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.123 1.676 8.568 1.00 0.00 H new ATOM 0 HB VAL A 43 1.467 0.712 9.819 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.362 -1.219 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.035 -1.237 9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.279 -0.738 7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.300 0.923 7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.697 1.495 6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.663 2.466 8.124 1.00 0.00 H new ATOM 502 N THR A 44 -2.529 0.227 10.008 1.00 0.00 N ATOM 503 CA THR A 44 -3.390 -0.611 10.832 1.00 0.00 C ATOM 504 C THR A 44 -3.234 -2.086 10.480 1.00 0.00 C ATOM 505 O THR A 44 -3.796 -2.956 11.146 1.00 0.00 O ATOM 506 CB THR A 44 -4.868 -0.210 10.688 1.00 0.00 C ATOM 507 OG1 THR A 44 -5.505 -1.014 9.688 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.983 1.257 10.320 1.00 0.00 C ATOM 0 H THR A 44 -2.948 0.525 9.127 1.00 0.00 H new ATOM 0 HA THR A 44 -3.079 -0.458 11.866 1.00 0.00 H new ATOM 0 HB THR A 44 -5.365 -0.374 11.644 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.445 -0.751 9.607 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.035 1.526 10.222 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.524 1.865 11.100 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.473 1.436 9.374 1.00 0.00 H new ATOM 516 N ASN A 45 -2.465 -2.363 9.432 1.00 0.00 N ATOM 517 CA ASN A 45 -2.235 -3.734 8.993 1.00 0.00 C ATOM 518 C ASN A 45 -1.177 -3.783 7.895 1.00 0.00 C ATOM 519 O ASN A 45 -0.964 -2.803 7.181 1.00 0.00 O ATOM 520 CB ASN A 45 -3.538 -4.357 8.489 1.00 0.00 C ATOM 521 CG ASN A 45 -3.479 -5.871 8.452 1.00 0.00 C ATOM 522 OD1 ASN A 45 -3.177 -6.468 7.418 1.00 0.00 O ATOM 523 ND2 ASN A 45 -3.768 -6.502 9.585 1.00 0.00 N ATOM 0 H ASN A 45 -1.990 -1.656 8.871 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.874 -4.306 9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.360 -4.044 9.133 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.755 -3.980 7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.745 -7.521 9.621 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.013 -5.967 10.418 1.00 0.00 H new ATOM 530 N LEU A 46 -0.518 -4.929 7.765 1.00 0.00 N ATOM 531 CA LEU A 46 0.517 -5.106 6.754 1.00 0.00 C ATOM 532 C LEU A 46 0.611 -6.566 6.320 1.00 0.00 C ATOM 533 O LEU A 46 0.987 -7.435 7.107 1.00 0.00 O ATOM 534 CB LEU A 46 1.870 -4.632 7.292 1.00 0.00 C ATOM 535 CG LEU A 46 2.950 -4.423 6.230 1.00 0.00 C ATOM 536 CD1 LEU A 46 3.447 -5.759 5.701 1.00 0.00 C ATOM 537 CD2 LEU A 46 2.420 -3.561 5.094 1.00 0.00 C ATOM 0 H LEU A 46 -0.683 -5.750 8.348 1.00 0.00 H new ATOM 0 HA LEU A 46 0.248 -4.505 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.723 -3.695 7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.231 -5.361 8.018 1.00 0.00 H new ATOM 0 HG LEU A 46 3.790 -3.905 6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.215 -5.589 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.867 -6.342 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.616 -6.306 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.202 -3.422 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.562 -4.052 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.116 -2.590 5.485 1.00 0.00 H new ATOM 549 N LEU A 47 0.267 -6.826 5.064 1.00 0.00 N ATOM 550 CA LEU A 47 0.313 -8.181 4.526 1.00 0.00 C ATOM 551 C LEU A 47 0.924 -8.191 3.128 1.00 0.00 C ATOM 552 O LEU A 47 0.376 -7.604 2.196 1.00 0.00 O ATOM 553 CB LEU A 47 -1.092 -8.784 4.484 1.00 0.00 C ATOM 554 CG LEU A 47 -1.160 -10.234 4.003 1.00 0.00 C ATOM 555 CD1 LEU A 47 -2.507 -10.849 4.349 1.00 0.00 C ATOM 556 CD2 LEU A 47 -0.906 -10.309 2.505 1.00 0.00 C ATOM 0 H LEU A 47 -0.046 -6.118 4.400 1.00 0.00 H new ATOM 0 HA LEU A 47 0.941 -8.784 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.525 -8.728 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.714 -8.171 3.832 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.383 -10.804 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.537 -11.881 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.650 -10.828 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.302 -10.279 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.958 -11.348 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.661 -9.725 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.083 -9.908 2.283 1.00 0.00 H new ATOM 568 N MET A 48 2.062 -8.864 2.991 1.00 0.00 N ATOM 569 CA MET A 48 2.749 -8.952 1.708 1.00 0.00 C ATOM 570 C MET A 48 2.369 -10.235 0.976 1.00 0.00 C ATOM 571 O MET A 48 2.251 -11.298 1.587 1.00 0.00 O ATOM 572 CB MET A 48 4.264 -8.897 1.914 1.00 0.00 C ATOM 573 CG MET A 48 4.831 -7.487 1.885 1.00 0.00 C ATOM 574 SD MET A 48 6.514 -7.403 2.525 1.00 0.00 S ATOM 575 CE MET A 48 7.404 -6.874 1.064 1.00 0.00 C ATOM 0 H MET A 48 2.528 -9.356 3.753 1.00 0.00 H new ATOM 0 HA MET A 48 2.441 -8.103 1.098 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.509 -9.359 2.870 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.749 -9.491 1.140 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.817 -7.115 0.861 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.190 -6.829 2.472 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.469 -7.063 1.199 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.044 -7.429 0.198 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.242 -5.808 0.905 1.00 0.00 H new ATOM 585 N LEU A 49 2.179 -10.130 -0.335 1.00 0.00 N ATOM 586 CA LEU A 49 1.814 -11.283 -1.150 1.00 0.00 C ATOM 587 C LEU A 49 2.789 -11.462 -2.309 1.00 0.00 C ATOM 588 O LEU A 49 2.601 -10.896 -3.385 1.00 0.00 O ATOM 589 CB LEU A 49 0.390 -11.121 -1.687 1.00 0.00 C ATOM 590 CG LEU A 49 -0.526 -12.329 -1.478 1.00 0.00 C ATOM 591 CD1 LEU A 49 -1.977 -11.948 -1.727 1.00 0.00 C ATOM 592 CD2 LEU A 49 -0.111 -13.474 -2.389 1.00 0.00 C ATOM 0 H LEU A 49 2.272 -9.258 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 49 1.861 -12.172 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.065 -10.253 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.443 -10.906 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.431 -12.659 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.613 -12.819 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.270 -11.159 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.089 -11.592 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.772 -14.325 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.178 -13.154 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.915 -13.764 -2.164 1.00 0.00 H new ATOM 604 N LYS A 50 3.833 -12.254 -2.081 1.00 0.00 N ATOM 605 CA LYS A 50 4.837 -12.508 -3.107 1.00 0.00 C ATOM 606 C LYS A 50 4.180 -12.800 -4.452 1.00 0.00 C ATOM 607 O LYS A 50 4.774 -12.573 -5.506 1.00 0.00 O ATOM 608 CB LYS A 50 5.731 -13.680 -2.696 1.00 0.00 C ATOM 609 CG LYS A 50 7.183 -13.288 -2.466 1.00 0.00 C ATOM 610 CD LYS A 50 7.294 -12.081 -1.547 1.00 0.00 C ATOM 611 CE LYS A 50 8.638 -12.040 -0.840 1.00 0.00 C ATOM 612 NZ LYS A 50 9.752 -12.459 -1.734 1.00 0.00 N ATOM 0 H LYS A 50 4.005 -12.730 -1.195 1.00 0.00 H new ATOM 0 HA LYS A 50 5.449 -11.612 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.335 -14.125 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.689 -14.447 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.724 -14.129 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.657 -13.064 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.159 -11.168 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.494 -12.111 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.826 -11.030 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.609 -12.693 0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.655 -12.121 -1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.771 -13.497 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.609 -12.052 -2.680 1.00 0.00 H new ATOM 626 N GLY A 51 2.951 -13.304 -4.408 1.00 0.00 N ATOM 627 CA GLY A 51 2.234 -13.618 -5.630 1.00 0.00 C ATOM 628 C GLY A 51 1.730 -12.378 -6.343 1.00 0.00 C ATOM 629 O GLY A 51 1.066 -11.535 -5.741 1.00 0.00 O ATOM 0 H GLY A 51 2.439 -13.501 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.889 -14.176 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.390 -14.267 -5.396 1.00 0.00 H new ATOM 633 N LYS A 52 2.049 -12.266 -7.629 1.00 0.00 N ATOM 634 CA LYS A 52 1.626 -11.120 -8.424 1.00 0.00 C ATOM 635 C LYS A 52 2.311 -9.842 -7.945 1.00 0.00 C ATOM 636 O LYS A 52 1.974 -8.743 -8.386 1.00 0.00 O ATOM 637 CB LYS A 52 0.107 -10.955 -8.353 1.00 0.00 C ATOM 638 CG LYS A 52 -0.645 -12.272 -8.261 1.00 0.00 C ATOM 639 CD LYS A 52 -1.464 -12.536 -9.515 1.00 0.00 C ATOM 640 CE LYS A 52 -1.830 -14.004 -9.643 1.00 0.00 C ATOM 641 NZ LYS A 52 -3.253 -14.190 -10.042 1.00 0.00 N ATOM 0 H LYS A 52 2.599 -12.955 -8.142 1.00 0.00 H new ATOM 0 HA LYS A 52 1.917 -11.301 -9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.143 -10.342 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.233 -10.413 -9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.063 -13.087 -8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.303 -12.256 -7.392 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.373 -11.934 -9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.898 -12.223 -10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.182 -14.477 -10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.651 -14.507 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.462 -15.206 -10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.873 -13.762 -9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.418 -13.733 -10.961 1.00 0.00 H new ATOM 655 N ASN A 53 3.273 -9.995 -7.040 1.00 0.00 N ATOM 656 CA ASN A 53 4.006 -8.855 -6.500 1.00 0.00 C ATOM 657 C ASN A 53 3.057 -7.726 -6.115 1.00 0.00 C ATOM 658 O ASN A 53 2.838 -6.793 -6.888 1.00 0.00 O ATOM 659 CB ASN A 53 5.033 -8.352 -7.515 1.00 0.00 C ATOM 660 CG ASN A 53 6.239 -9.267 -7.614 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.799 -9.640 -6.466 1.00 0.00 O flip ATOM 662 ND2 ASN A 53 6.664 -9.637 -8.709 1.00 0.00 N flip ATOM 0 H ASN A 53 3.563 -10.898 -6.665 1.00 0.00 H new ATOM 0 HA ASN A 53 4.527 -9.186 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.562 -8.268 -8.494 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.361 -7.352 -7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.205 -9.327 -9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.475 -10.253 -8.759 1.00 0.00 H new ATOM 669 N GLN A 54 2.500 -7.818 -4.913 1.00 0.00 N ATOM 670 CA GLN A 54 1.575 -6.807 -4.417 1.00 0.00 C ATOM 671 C GLN A 54 1.489 -6.859 -2.897 1.00 0.00 C ATOM 672 O GLN A 54 1.394 -7.936 -2.308 1.00 0.00 O ATOM 673 CB GLN A 54 0.187 -7.008 -5.026 1.00 0.00 C ATOM 674 CG GLN A 54 0.200 -7.138 -6.541 1.00 0.00 C ATOM 675 CD GLN A 54 -1.188 -7.322 -7.123 1.00 0.00 C ATOM 676 OE1 GLN A 54 -1.952 -8.178 -6.676 1.00 0.00 O ATOM 677 NE2 GLN A 54 -1.520 -6.518 -8.125 1.00 0.00 N ATOM 0 H GLN A 54 2.674 -8.584 -4.263 1.00 0.00 H new ATOM 0 HA GLN A 54 1.951 -5.827 -4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.263 -7.903 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.448 -6.167 -4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.656 -6.248 -6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.824 -7.986 -6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.855 -5.823 -8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.441 -6.595 -8.557 1.00 0.00 H new ATOM 686 N ALA A 55 1.521 -5.692 -2.264 1.00 0.00 N ATOM 687 CA ALA A 55 1.445 -5.612 -0.811 1.00 0.00 C ATOM 688 C ALA A 55 0.107 -5.037 -0.371 1.00 0.00 C ATOM 689 O ALA A 55 -0.643 -4.496 -1.183 1.00 0.00 O ATOM 690 CB ALA A 55 2.591 -4.774 -0.265 1.00 0.00 C ATOM 0 H ALA A 55 1.599 -4.790 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 55 1.530 -6.621 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.520 -4.724 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.541 -5.229 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.535 -3.767 -0.679 1.00 0.00 H new ATOM 696 N PHE A 56 -0.195 -5.167 0.915 1.00 0.00 N ATOM 697 CA PHE A 56 -1.454 -4.669 1.451 1.00 0.00 C ATOM 698 C PHE A 56 -1.261 -4.018 2.816 1.00 0.00 C ATOM 699 O PHE A 56 -0.869 -4.675 3.780 1.00 0.00 O ATOM 700 CB PHE A 56 -2.465 -5.811 1.558 1.00 0.00 C ATOM 701 CG PHE A 56 -2.589 -6.624 0.300 1.00 0.00 C ATOM 702 CD1 PHE A 56 -1.503 -7.329 -0.198 1.00 0.00 C ATOM 703 CD2 PHE A 56 -3.792 -6.680 -0.384 1.00 0.00 C ATOM 704 CE1 PHE A 56 -1.618 -8.076 -1.355 1.00 0.00 C ATOM 705 CE2 PHE A 56 -3.912 -7.425 -1.542 1.00 0.00 C ATOM 706 CZ PHE A 56 -2.824 -8.124 -2.028 1.00 0.00 C ATOM 0 H PHE A 56 0.413 -5.611 1.603 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.832 -3.910 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.174 -6.468 2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.441 -5.398 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.558 -7.294 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.646 -6.136 -0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.766 -8.622 -1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.855 -7.461 -2.066 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.916 -8.707 -2.932 1.00 0.00 H new ATOM 716 N ILE A 57 -1.556 -2.725 2.893 1.00 0.00 N ATOM 717 CA ILE A 57 -1.431 -1.984 4.141 1.00 0.00 C ATOM 718 C ILE A 57 -2.728 -1.253 4.463 1.00 0.00 C ATOM 719 O ILE A 57 -3.490 -0.900 3.563 1.00 0.00 O ATOM 720 CB ILE A 57 -0.273 -0.967 4.088 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.656 0.242 3.233 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.986 -1.628 3.551 1.00 0.00 C ATOM 723 CD1 ILE A 57 -0.531 1.563 3.962 1.00 0.00 C ATOM 0 H ILE A 57 -1.884 -2.168 2.104 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.216 -2.711 4.924 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.073 -0.616 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.023 0.265 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.683 0.122 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.795 -0.898 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.269 -2.455 4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.798 -2.006 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.819 2.375 3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.185 1.561 4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.501 1.705 4.283 1.00 0.00 H new ATOM 735 N GLU A 58 -2.979 -1.033 5.747 1.00 0.00 N ATOM 736 CA GLU A 58 -4.193 -0.350 6.177 1.00 0.00 C ATOM 737 C GLU A 58 -3.868 0.924 6.947 1.00 0.00 C ATOM 738 O GLU A 58 -2.917 0.967 7.728 1.00 0.00 O ATOM 739 CB GLU A 58 -5.043 -1.279 7.044 1.00 0.00 C ATOM 740 CG GLU A 58 -5.830 -2.306 6.245 1.00 0.00 C ATOM 741 CD GLU A 58 -6.947 -2.940 7.051 1.00 0.00 C ATOM 742 OE1 GLU A 58 -6.713 -3.268 8.233 1.00 0.00 O ATOM 743 OE2 GLU A 58 -8.054 -3.108 6.500 1.00 0.00 O ATOM 0 H GLU A 58 -2.361 -1.316 6.507 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.755 -0.075 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.394 -1.799 7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.737 -0.679 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.251 -1.828 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.153 -3.085 5.894 1.00 0.00 H new ATOM 750 N MET A 59 -4.672 1.958 6.726 1.00 0.00 N ATOM 751 CA MET A 59 -4.485 3.235 7.402 1.00 0.00 C ATOM 752 C MET A 59 -5.619 3.476 8.395 1.00 0.00 C ATOM 753 O MET A 59 -6.792 3.326 8.057 1.00 0.00 O ATOM 754 CB MET A 59 -4.417 4.371 6.379 1.00 0.00 C ATOM 755 CG MET A 59 -3.712 3.979 5.091 1.00 0.00 C ATOM 756 SD MET A 59 -2.304 5.042 4.715 1.00 0.00 S ATOM 757 CE MET A 59 -1.373 4.940 6.242 1.00 0.00 C ATOM 0 H MET A 59 -5.462 1.936 6.081 1.00 0.00 H new ATOM 0 HA MET A 59 -3.544 3.208 7.951 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.429 4.701 6.145 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.900 5.221 6.824 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.372 2.946 5.168 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.423 4.020 4.266 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.520 5.616 6.194 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.013 5.222 7.078 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.019 3.919 6.385 1.00 0.00 H new ATOM 767 N ASN A 60 -5.259 3.831 9.624 1.00 0.00 N ATOM 768 CA ASN A 60 -6.252 4.068 10.668 1.00 0.00 C ATOM 769 C ASN A 60 -7.077 5.320 10.386 1.00 0.00 C ATOM 770 O ASN A 60 -8.132 5.521 10.988 1.00 0.00 O ATOM 771 CB ASN A 60 -5.583 4.188 12.042 1.00 0.00 C ATOM 772 CG ASN A 60 -4.474 3.178 12.254 1.00 0.00 C ATOM 773 OD1 ASN A 60 -3.290 3.476 11.733 1.00 0.00 O flip ATOM 774 ND2 ASN A 60 -4.678 2.139 12.881 1.00 0.00 N flip ATOM 0 H ASN A 60 -4.292 3.961 9.922 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.923 3.209 10.672 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.177 5.193 12.155 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.337 4.059 12.819 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.603 1.949 13.265 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.922 1.468 13.017 1.00 0.00 H new ATOM 781 N THR A 61 -6.602 6.161 9.472 1.00 0.00 N ATOM 782 CA THR A 61 -7.318 7.384 9.131 1.00 0.00 C ATOM 783 C THR A 61 -7.436 7.553 7.620 1.00 0.00 C ATOM 784 O THR A 61 -6.436 7.532 6.904 1.00 0.00 O ATOM 785 CB THR A 61 -6.629 8.627 9.727 1.00 0.00 C ATOM 786 OG1 THR A 61 -7.425 9.794 9.482 1.00 0.00 O ATOM 787 CG2 THR A 61 -5.245 8.820 9.128 1.00 0.00 C ATOM 0 H THR A 61 -5.732 6.019 8.959 1.00 0.00 H new ATOM 0 HA THR A 61 -8.316 7.293 9.560 1.00 0.00 H new ATOM 0 HB THR A 61 -6.525 8.475 10.801 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.981 10.579 9.865 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.779 9.704 9.565 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.631 7.944 9.340 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.330 8.951 8.049 1.00 0.00 H new ATOM 795 N GLU A 62 -8.664 7.720 7.143 1.00 0.00 N ATOM 796 CA GLU A 62 -8.911 7.894 5.717 1.00 0.00 C ATOM 797 C GLU A 62 -7.894 8.853 5.107 1.00 0.00 C ATOM 798 O GLU A 62 -7.383 8.617 4.012 1.00 0.00 O ATOM 799 CB GLU A 62 -10.329 8.416 5.482 1.00 0.00 C ATOM 800 CG GLU A 62 -11.404 7.575 6.150 1.00 0.00 C ATOM 801 CD GLU A 62 -11.988 8.244 7.379 1.00 0.00 C ATOM 802 OE1 GLU A 62 -12.933 9.046 7.225 1.00 0.00 O ATOM 803 OE2 GLU A 62 -11.502 7.965 8.494 1.00 0.00 O ATOM 0 H GLU A 62 -9.503 7.739 7.722 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.807 6.923 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.397 9.439 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.521 8.452 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.202 7.377 5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.982 6.610 6.432 1.00 0.00 H new ATOM 810 N GLU A 63 -7.603 9.933 5.826 1.00 0.00 N ATOM 811 CA GLU A 63 -6.645 10.924 5.357 1.00 0.00 C ATOM 812 C GLU A 63 -5.291 10.280 5.080 1.00 0.00 C ATOM 813 O GLU A 63 -4.474 10.821 4.338 1.00 0.00 O ATOM 814 CB GLU A 63 -6.489 12.042 6.389 1.00 0.00 C ATOM 815 CG GLU A 63 -6.339 13.423 5.773 1.00 0.00 C ATOM 816 CD GLU A 63 -6.221 14.518 6.816 1.00 0.00 C ATOM 817 OE1 GLU A 63 -7.040 14.528 7.760 1.00 0.00 O ATOM 818 OE2 GLU A 63 -5.310 15.363 6.690 1.00 0.00 O ATOM 0 H GLU A 63 -8.017 10.142 6.734 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.024 11.348 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.357 12.040 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.617 11.833 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.456 13.438 5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.198 13.627 5.134 1.00 0.00 H new ATOM 825 N ALA A 64 -5.063 9.117 5.682 1.00 0.00 N ATOM 826 CA ALA A 64 -3.810 8.395 5.499 1.00 0.00 C ATOM 827 C ALA A 64 -3.852 7.541 4.238 1.00 0.00 C ATOM 828 O ALA A 64 -2.916 7.551 3.438 1.00 0.00 O ATOM 829 CB ALA A 64 -3.511 7.532 6.717 1.00 0.00 C ATOM 0 H ALA A 64 -5.730 8.655 6.300 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.010 9.127 5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.572 7.000 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.429 8.165 7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.317 6.812 6.860 1.00 0.00 H new ATOM 835 N ALA A 65 -4.943 6.801 4.064 1.00 0.00 N ATOM 836 CA ALA A 65 -5.106 5.942 2.899 1.00 0.00 C ATOM 837 C ALA A 65 -5.168 6.765 1.616 1.00 0.00 C ATOM 838 O ALA A 65 -4.464 6.478 0.646 1.00 0.00 O ATOM 839 CB ALA A 65 -6.357 5.089 3.042 1.00 0.00 C ATOM 0 H ALA A 65 -5.727 6.780 4.716 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.238 5.285 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.466 4.452 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.273 4.467 3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.230 5.736 3.132 1.00 0.00 H new ATOM 845 N ASN A 66 -6.012 7.792 1.620 1.00 0.00 N ATOM 846 CA ASN A 66 -6.165 8.661 0.460 1.00 0.00 C ATOM 847 C ASN A 66 -4.867 9.420 0.185 1.00 0.00 C ATOM 848 O ASN A 66 -4.428 9.524 -0.959 1.00 0.00 O ATOM 849 CB ASN A 66 -7.338 9.629 0.684 1.00 0.00 C ATOM 850 CG ASN A 66 -7.093 11.016 0.114 1.00 0.00 C ATOM 851 OD1 ASN A 66 -6.254 11.789 0.792 1.00 0.00 O flip ATOM 852 ND2 ASN A 66 -7.650 11.383 -0.920 1.00 0.00 N flip ATOM 0 H ASN A 66 -6.601 8.042 2.415 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.385 8.051 -0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.236 9.211 0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.531 9.713 1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.288 10.753 -1.407 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.474 12.317 -1.290 1.00 0.00 H new ATOM 859 N THR A 67 -4.258 9.944 1.245 1.00 0.00 N ATOM 860 CA THR A 67 -3.011 10.687 1.115 1.00 0.00 C ATOM 861 C THR A 67 -1.915 9.810 0.520 1.00 0.00 C ATOM 862 O THR A 67 -1.045 10.292 -0.206 1.00 0.00 O ATOM 863 CB THR A 67 -2.537 11.237 2.473 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.396 12.302 2.897 1.00 0.00 O ATOM 865 CG2 THR A 67 -1.105 11.742 2.382 1.00 0.00 C ATOM 0 H THR A 67 -4.607 9.868 2.200 1.00 0.00 H new ATOM 0 HA THR A 67 -3.208 11.525 0.446 1.00 0.00 H new ATOM 0 HB THR A 67 -2.575 10.427 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.191 11.928 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.792 12.126 3.353 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.449 10.923 2.087 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.047 12.539 1.641 1.00 0.00 H new ATOM 873 N MET A 68 -1.965 8.519 0.831 1.00 0.00 N ATOM 874 CA MET A 68 -0.977 7.575 0.324 1.00 0.00 C ATOM 875 C MET A 68 -0.966 7.575 -1.200 1.00 0.00 C ATOM 876 O MET A 68 0.036 7.930 -1.823 1.00 0.00 O ATOM 877 CB MET A 68 -1.270 6.166 0.844 1.00 0.00 C ATOM 878 CG MET A 68 -0.121 5.558 1.630 1.00 0.00 C ATOM 879 SD MET A 68 0.031 3.780 1.380 1.00 0.00 S ATOM 880 CE MET A 68 1.730 3.512 1.884 1.00 0.00 C ATOM 0 H MET A 68 -2.678 8.104 1.431 1.00 0.00 H new ATOM 0 HA MET A 68 0.005 7.886 0.680 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.156 6.198 1.478 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.505 5.518 -0.000 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.810 6.043 1.337 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.265 5.760 2.691 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.004 2.473 1.702 1.00 0.00 H new ATOM 0 HE2 MET A 68 2.387 4.166 1.311 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.834 3.734 2.946 1.00 0.00 H new ATOM 890 N VAL A 69 -2.085 7.181 -1.796 1.00 0.00 N ATOM 891 CA VAL A 69 -2.202 7.139 -3.249 1.00 0.00 C ATOM 892 C VAL A 69 -2.240 8.546 -3.837 1.00 0.00 C ATOM 893 O VAL A 69 -1.489 8.866 -4.758 1.00 0.00 O ATOM 894 CB VAL A 69 -3.465 6.379 -3.692 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.408 6.067 -5.179 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.636 5.105 -2.877 1.00 0.00 C ATOM 0 H VAL A 69 -2.924 6.886 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.322 6.613 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.331 7.016 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.310 5.530 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.340 6.997 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.534 5.450 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.534 4.581 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.768 4.462 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.729 5.358 -1.821 1.00 0.00 H new ATOM 906 N ASN A 70 -3.122 9.381 -3.299 1.00 0.00 N ATOM 907 CA ASN A 70 -3.262 10.754 -3.769 1.00 0.00 C ATOM 908 C ASN A 70 -1.897 11.401 -3.978 1.00 0.00 C ATOM 909 O ASN A 70 -1.530 11.754 -5.099 1.00 0.00 O ATOM 910 CB ASN A 70 -4.082 11.576 -2.774 1.00 0.00 C ATOM 911 CG ASN A 70 -4.184 13.035 -3.173 1.00 0.00 C ATOM 912 OD1 ASN A 70 -5.097 13.430 -3.899 1.00 0.00 O ATOM 913 ND2 ASN A 70 -3.244 13.845 -2.701 1.00 0.00 N ATOM 0 H ASN A 70 -3.751 9.131 -2.536 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.783 10.731 -4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.084 11.153 -2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.628 11.504 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.260 14.837 -2.937 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.506 13.475 -2.102 1.00 0.00 H new ATOM 920 N TYR A 71 -1.148 11.553 -2.891 1.00 0.00 N ATOM 921 CA TYR A 71 0.177 12.159 -2.956 1.00 0.00 C ATOM 922 C TYR A 71 1.063 11.422 -3.955 1.00 0.00 C ATOM 923 O TYR A 71 1.880 12.034 -4.643 1.00 0.00 O ATOM 924 CB TYR A 71 0.833 12.154 -1.573 1.00 0.00 C ATOM 925 CG TYR A 71 2.305 12.499 -1.600 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.765 13.606 -2.301 1.00 0.00 C ATOM 927 CD2 TYR A 71 3.233 11.717 -0.925 1.00 0.00 C ATOM 928 CE1 TYR A 71 4.110 13.925 -2.328 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.579 12.029 -0.947 1.00 0.00 C ATOM 930 CZ TYR A 71 5.012 13.133 -1.650 1.00 0.00 C ATOM 931 OH TYR A 71 6.352 13.446 -1.675 1.00 0.00 O ATOM 0 H TYR A 71 -1.435 11.265 -1.956 1.00 0.00 H new ATOM 0 HA TYR A 71 0.062 13.190 -3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.313 12.865 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.707 11.169 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.061 14.228 -2.834 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.897 10.851 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.452 14.790 -2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.288 11.411 -0.416 1.00 0.00 H new ATOM 0 HH TYR A 71 6.851 12.789 -1.147 1.00 0.00 H new ATOM 941 N TYR A 72 0.897 10.105 -4.030 1.00 0.00 N ATOM 942 CA TYR A 72 1.683 9.288 -4.947 1.00 0.00 C ATOM 943 C TYR A 72 1.076 9.300 -6.347 1.00 0.00 C ATOM 944 O TYR A 72 1.485 8.532 -7.218 1.00 0.00 O ATOM 945 CB TYR A 72 1.775 7.850 -4.432 1.00 0.00 C ATOM 946 CG TYR A 72 2.600 7.708 -3.173 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.698 8.528 -2.941 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.283 6.752 -2.216 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.454 8.400 -1.792 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.033 6.618 -1.063 1.00 0.00 C ATOM 951 CZ TYR A 72 4.118 7.445 -0.857 1.00 0.00 C ATOM 952 OH TYR A 72 4.867 7.316 0.289 1.00 0.00 O ATOM 0 H TYR A 72 0.226 9.582 -3.467 1.00 0.00 H new ATOM 0 HA TYR A 72 2.685 9.713 -5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.769 7.477 -4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.206 7.221 -5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.965 9.278 -3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.435 6.102 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.304 9.045 -1.627 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.772 5.871 -0.328 1.00 0.00 H new ATOM 0 HH TYR A 72 4.372 7.691 1.047 1.00 0.00 H new ATOM 962 N THR A 73 0.098 10.176 -6.557 1.00 0.00 N ATOM 963 CA THR A 73 -0.561 10.287 -7.852 1.00 0.00 C ATOM 964 C THR A 73 0.438 10.642 -8.947 1.00 0.00 C ATOM 965 O THR A 73 0.250 10.289 -10.112 1.00 0.00 O ATOM 966 CB THR A 73 -1.676 11.349 -7.827 1.00 0.00 C ATOM 967 OG1 THR A 73 -2.722 10.942 -6.936 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.248 11.567 -9.220 1.00 0.00 C ATOM 0 H THR A 73 -0.255 10.818 -5.847 1.00 0.00 H new ATOM 0 HA THR A 73 -1.002 9.314 -8.066 1.00 0.00 H new ATOM 0 HB THR A 73 -1.245 12.287 -7.477 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.775 11.570 -6.186 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.034 12.321 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.457 11.905 -9.889 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.664 10.631 -9.593 1.00 0.00 H new ATOM 976 N SER A 74 1.503 11.338 -8.565 1.00 0.00 N ATOM 977 CA SER A 74 2.536 11.739 -9.513 1.00 0.00 C ATOM 978 C SER A 74 3.909 11.261 -9.053 1.00 0.00 C ATOM 979 O SER A 74 4.685 10.720 -9.841 1.00 0.00 O ATOM 980 CB SER A 74 2.542 13.260 -9.681 1.00 0.00 C ATOM 981 OG SER A 74 1.725 13.884 -8.706 1.00 0.00 O ATOM 0 H SER A 74 1.674 11.636 -7.605 1.00 0.00 H new ATOM 0 HA SER A 74 2.312 11.276 -10.474 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.562 13.634 -9.598 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.187 13.520 -10.678 1.00 0.00 H new ATOM 0 HG SER A 74 1.747 14.855 -8.834 1.00 0.00 H new ATOM 987 N VAL A 75 4.202 11.463 -7.772 1.00 0.00 N ATOM 988 CA VAL A 75 5.480 11.052 -7.206 1.00 0.00 C ATOM 989 C VAL A 75 5.457 9.579 -6.814 1.00 0.00 C ATOM 990 O VAL A 75 4.774 9.189 -5.866 1.00 0.00 O ATOM 991 CB VAL A 75 5.843 11.893 -5.968 1.00 0.00 C ATOM 992 CG1 VAL A 75 7.134 11.391 -5.341 1.00 0.00 C ATOM 993 CG2 VAL A 75 5.957 13.363 -6.337 1.00 0.00 C ATOM 0 H VAL A 75 3.570 11.909 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 75 6.233 11.210 -7.978 1.00 0.00 H new ATOM 0 HB VAL A 75 5.045 11.788 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.374 11.997 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.011 10.351 -5.038 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.944 11.464 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.214 13.942 -5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.734 13.490 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.005 13.713 -6.735 1.00 0.00 H new ATOM 1003 N THR A 76 6.204 8.762 -7.550 1.00 0.00 N ATOM 1004 CA THR A 76 6.268 7.337 -7.282 1.00 0.00 C ATOM 1005 C THR A 76 7.364 7.024 -6.268 1.00 0.00 C ATOM 1006 O THR A 76 8.379 7.717 -6.204 1.00 0.00 O ATOM 1007 CB THR A 76 6.532 6.549 -8.579 1.00 0.00 C ATOM 1008 OG1 THR A 76 5.335 6.482 -9.363 1.00 0.00 O ATOM 1009 CG2 THR A 76 7.019 5.145 -8.271 1.00 0.00 C ATOM 0 H THR A 76 6.774 9.068 -8.339 1.00 0.00 H new ATOM 0 HA THR A 76 5.305 7.035 -6.870 1.00 0.00 H new ATOM 0 HB THR A 76 7.307 7.069 -9.141 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.246 5.586 -9.749 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.198 4.609 -9.203 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.946 5.198 -7.699 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.264 4.617 -7.689 1.00 0.00 H new ATOM 1017 N PRO A 77 7.176 5.968 -5.457 1.00 0.00 N ATOM 1018 CA PRO A 77 8.135 5.559 -4.451 1.00 0.00 C ATOM 1019 C PRO A 77 9.070 4.464 -4.954 1.00 0.00 C ATOM 1020 O PRO A 77 8.640 3.341 -5.218 1.00 0.00 O ATOM 1021 CB PRO A 77 7.233 5.024 -3.331 1.00 0.00 C ATOM 1022 CG PRO A 77 5.896 4.746 -3.968 1.00 0.00 C ATOM 1023 CD PRO A 77 6.016 5.079 -5.433 1.00 0.00 C ATOM 0 HA PRO A 77 8.795 6.371 -4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.652 4.118 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.137 5.753 -2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.617 3.701 -3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.116 5.347 -3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.174 4.188 -6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.120 5.570 -5.813 1.00 0.00 H new ATOM 1031 N VAL A 78 10.350 4.796 -5.086 1.00 0.00 N ATOM 1032 CA VAL A 78 11.340 3.836 -5.557 1.00 0.00 C ATOM 1033 C VAL A 78 12.134 3.250 -4.396 1.00 0.00 C ATOM 1034 O VAL A 78 12.185 3.825 -3.309 1.00 0.00 O ATOM 1035 CB VAL A 78 12.318 4.478 -6.560 1.00 0.00 C ATOM 1036 CG1 VAL A 78 13.223 3.421 -7.177 1.00 0.00 C ATOM 1037 CG2 VAL A 78 11.555 5.233 -7.638 1.00 0.00 C ATOM 0 H VAL A 78 10.725 5.721 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 78 10.790 3.039 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 78 12.945 5.190 -6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.906 3.894 -7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.796 2.929 -6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.616 2.682 -7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.261 5.680 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.902 4.543 -8.172 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.955 6.017 -7.177 1.00 0.00 H new ATOM 1047 N LEU A 79 12.754 2.103 -4.639 1.00 0.00 N ATOM 1048 CA LEU A 79 13.550 1.431 -3.621 1.00 0.00 C ATOM 1049 C LEU A 79 14.586 0.515 -4.264 1.00 0.00 C ATOM 1050 O LEU A 79 14.280 -0.233 -5.191 1.00 0.00 O ATOM 1051 CB LEU A 79 12.647 0.652 -2.670 1.00 0.00 C ATOM 1052 CG LEU A 79 12.408 -0.807 -3.029 1.00 0.00 C ATOM 1053 CD1 LEU A 79 11.936 -0.940 -4.468 1.00 0.00 C ATOM 1054 CD2 LEU A 79 13.661 -1.637 -2.789 1.00 0.00 C ATOM 0 H LEU A 79 12.721 1.617 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 79 14.083 2.186 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.081 0.694 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.682 1.157 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 79 11.621 -1.190 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.772 -1.992 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.004 -0.390 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.693 -0.534 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.465 -2.676 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.475 -1.254 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.942 -1.576 -1.738 1.00 0.00 H new ATOM 1066 N ARG A 80 15.821 0.588 -3.777 1.00 0.00 N ATOM 1067 CA ARG A 80 16.897 -0.229 -4.319 1.00 0.00 C ATOM 1068 C ARG A 80 16.752 -0.365 -5.832 1.00 0.00 C ATOM 1069 O ARG A 80 17.143 -1.375 -6.417 1.00 0.00 O ATOM 1070 CB ARG A 80 16.897 -1.614 -3.667 1.00 0.00 C ATOM 1071 CG ARG A 80 18.044 -2.501 -4.122 1.00 0.00 C ATOM 1072 CD ARG A 80 17.551 -3.875 -4.545 1.00 0.00 C ATOM 1073 NE ARG A 80 18.534 -4.919 -4.267 1.00 0.00 N ATOM 1074 CZ ARG A 80 19.504 -5.260 -5.108 1.00 0.00 C ATOM 1075 NH1 ARG A 80 19.621 -4.643 -6.276 1.00 0.00 N ATOM 1076 NH2 ARG A 80 20.359 -6.219 -4.781 1.00 0.00 N ATOM 0 H ARG A 80 16.099 1.202 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 80 17.845 0.263 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 80 16.947 -1.497 -2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.953 -2.112 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 80 18.563 -2.027 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.767 -2.606 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.622 -4.103 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 80 17.323 -3.866 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 80 18.472 -5.414 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.965 -3.904 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 80 20.367 -4.907 -6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.272 -6.695 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.104 -6.480 -5.427 1.00 0.00 H new ATOM 1090 N GLY A 81 16.183 0.662 -6.454 1.00 0.00 N ATOM 1091 CA GLY A 81 15.987 0.649 -7.890 1.00 0.00 C ATOM 1092 C GLY A 81 14.766 -0.145 -8.309 1.00 0.00 C ATOM 1093 O GLY A 81 14.844 -0.999 -9.193 1.00 0.00 O ATOM 0 H GLY A 81 15.853 1.506 -5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.889 1.674 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.871 0.227 -8.369 1.00 0.00 H new ATOM 1097 N GLN A 82 13.633 0.141 -7.678 1.00 0.00 N ATOM 1098 CA GLN A 82 12.386 -0.545 -7.993 1.00 0.00 C ATOM 1099 C GLN A 82 11.187 0.322 -7.625 1.00 0.00 C ATOM 1100 O GLN A 82 10.770 0.366 -6.468 1.00 0.00 O ATOM 1101 CB GLN A 82 12.311 -1.882 -7.254 1.00 0.00 C ATOM 1102 CG GLN A 82 12.267 -3.086 -8.179 1.00 0.00 C ATOM 1103 CD GLN A 82 11.105 -3.033 -9.151 1.00 0.00 C ATOM 1104 OE1 GLN A 82 10.057 -2.461 -8.852 1.00 0.00 O ATOM 1105 NE2 GLN A 82 11.285 -3.630 -10.324 1.00 0.00 N ATOM 0 H GLN A 82 13.553 0.845 -6.944 1.00 0.00 H new ATOM 0 HA GLN A 82 12.363 -0.733 -9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.174 -1.972 -6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.424 -1.888 -6.621 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.201 -3.144 -8.738 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.195 -3.995 -7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.170 -4.093 -10.530 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.538 -3.626 -11.018 1.00 0.00 H new ATOM 1114 N PRO A 83 10.621 1.030 -8.612 1.00 0.00 N ATOM 1115 CA PRO A 83 9.468 1.907 -8.393 1.00 0.00 C ATOM 1116 C PRO A 83 8.186 1.128 -8.120 1.00 0.00 C ATOM 1117 O PRO A 83 7.504 0.692 -9.048 1.00 0.00 O ATOM 1118 CB PRO A 83 9.356 2.678 -9.708 1.00 0.00 C ATOM 1119 CG PRO A 83 9.970 1.781 -10.727 1.00 0.00 C ATOM 1120 CD PRO A 83 11.065 1.034 -10.016 1.00 0.00 C ATOM 0 HA PRO A 83 9.602 2.544 -7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.316 2.899 -9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.880 3.632 -9.653 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.231 1.093 -11.137 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.369 2.356 -11.563 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.178 0.022 -10.404 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.029 1.529 -10.131 1.00 0.00 H new ATOM 1128 N ILE A 84 7.858 0.964 -6.842 1.00 0.00 N ATOM 1129 CA ILE A 84 6.651 0.245 -6.452 1.00 0.00 C ATOM 1130 C ILE A 84 5.498 1.216 -6.217 1.00 0.00 C ATOM 1131 O ILE A 84 5.514 2.000 -5.268 1.00 0.00 O ATOM 1132 CB ILE A 84 6.885 -0.606 -5.186 1.00 0.00 C ATOM 1133 CG1 ILE A 84 6.941 0.276 -3.935 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.170 -1.408 -5.326 1.00 0.00 C ATOM 1135 CD1 ILE A 84 7.445 -0.449 -2.701 1.00 0.00 C ATOM 0 H ILE A 84 8.410 1.318 -6.061 1.00 0.00 H new ATOM 0 HA ILE A 84 6.392 -0.425 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 84 6.047 -1.295 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.587 1.131 -4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.945 0.669 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.326 -2.005 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.095 -2.067 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.011 -0.727 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.457 0.238 -1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.786 -1.288 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.454 -0.819 -2.883 1.00 0.00 H new ATOM 1147 N TYR A 85 4.506 1.167 -7.101 1.00 0.00 N ATOM 1148 CA TYR A 85 3.348 2.051 -7.010 1.00 0.00 C ATOM 1149 C TYR A 85 2.430 1.654 -5.858 1.00 0.00 C ATOM 1150 O TYR A 85 2.381 0.491 -5.459 1.00 0.00 O ATOM 1151 CB TYR A 85 2.567 2.037 -8.325 1.00 0.00 C ATOM 1152 CG TYR A 85 3.400 2.417 -9.529 1.00 0.00 C ATOM 1153 CD1 TYR A 85 4.729 2.798 -9.386 1.00 0.00 C ATOM 1154 CD2 TYR A 85 2.858 2.396 -10.808 1.00 0.00 C ATOM 1155 CE1 TYR A 85 5.493 3.147 -10.483 1.00 0.00 C ATOM 1156 CE2 TYR A 85 3.615 2.743 -11.910 1.00 0.00 C ATOM 1157 CZ TYR A 85 4.932 3.118 -11.743 1.00 0.00 C ATOM 1158 OH TYR A 85 5.689 3.465 -12.838 1.00 0.00 O ATOM 0 H TYR A 85 4.481 0.522 -7.891 1.00 0.00 H new ATOM 0 HA TYR A 85 3.716 3.059 -6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.152 1.041 -8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.725 2.724 -8.245 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.172 2.822 -8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.827 2.103 -10.943 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.524 3.441 -10.355 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.178 2.721 -12.897 1.00 0.00 H new ATOM 0 HH TYR A 85 5.144 3.390 -13.649 1.00 0.00 H new ATOM 1168 N ILE A 86 1.703 2.635 -5.333 1.00 0.00 N ATOM 1169 CA ILE A 86 0.782 2.408 -4.232 1.00 0.00 C ATOM 1170 C ILE A 86 -0.616 2.919 -4.588 1.00 0.00 C ATOM 1171 O ILE A 86 -0.862 4.125 -4.591 1.00 0.00 O ATOM 1172 CB ILE A 86 1.282 3.107 -2.949 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.414 2.300 -2.313 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.144 3.303 -1.962 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.485 3.158 -1.677 1.00 0.00 C ATOM 0 H ILE A 86 1.737 3.601 -5.658 1.00 0.00 H new ATOM 0 HA ILE A 86 0.732 1.334 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 86 1.666 4.090 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.995 1.636 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.871 1.668 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.520 3.797 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.631 3.919 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.275 2.333 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.255 2.518 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.931 3.804 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.042 3.771 -0.892 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.524 1.996 -4.889 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.891 2.359 -5.249 1.00 0.00 C ATOM 1189 C GLN A 87 -3.904 1.527 -4.468 1.00 0.00 C ATOM 1190 O GLN A 87 -3.542 0.578 -3.776 1.00 0.00 O ATOM 1191 CB GLN A 87 -3.112 2.169 -6.750 1.00 0.00 C ATOM 1192 CG GLN A 87 -3.111 3.472 -7.535 1.00 0.00 C ATOM 1193 CD GLN A 87 -4.409 3.699 -8.284 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -5.494 3.631 -7.707 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -4.305 3.972 -9.580 1.00 0.00 N ATOM 0 H GLN A 87 -1.339 0.993 -4.891 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.038 3.409 -4.994 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.333 1.517 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.063 1.660 -6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.939 4.304 -6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.283 3.465 -8.244 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.386 4.019 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.145 4.135 -10.136 1.00 0.00 H new ATOM 1204 N PHE A 88 -5.178 1.892 -4.585 1.00 0.00 N ATOM 1205 CA PHE A 88 -6.245 1.178 -3.892 1.00 0.00 C ATOM 1206 C PHE A 88 -6.696 -0.040 -4.692 1.00 0.00 C ATOM 1207 O PHE A 88 -6.536 -0.088 -5.912 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.436 2.107 -3.645 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.041 3.515 -3.305 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -6.724 4.420 -4.304 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -6.989 3.933 -1.984 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.362 5.717 -3.994 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -6.628 5.230 -1.668 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.314 6.122 -2.674 1.00 0.00 C ATOM 0 H PHE A 88 -5.496 2.677 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.853 0.837 -2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.066 2.120 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.040 1.702 -2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.760 4.108 -5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.233 3.239 -1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.117 6.413 -4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.592 5.545 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.031 7.135 -2.429 1.00 0.00 H new