USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 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 69 SER OG : rot -64:sc= -0.518! USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 60 MET CE :methyl 152:sc= 0 (180deg=0) USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 45 MET CE :methyl -170:sc= 0 (180deg=0) USER MOD Set 3.2: A 50 GLN : amide:sc= -0.0574 X(o=-0.057,f=-0.35) USER MOD Set 4.1: A 13 THR OG1 : rot 161:sc= -1.62 USER MOD Set 4.2: A 16 GLN :FLIP amide:sc= -1.51 F(o=-3.9,f=-3.1) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= -0.0285 (180deg=-0.571) USER MOD Single : A 11 GLN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= 0.313 (180deg=-2.26!) USER MOD Single : A 18 ASN : amide:sc= -3.61! C(o=-3.6!,f=-4.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 170:sc= -0.282 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -137:sc= -5.17! (180deg=-10.2!) USER MOD Single : A 51 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.076) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.587 F(o=-1.7,f=-0.59) USER MOD Single : A 80 MET CE :methyl -115:sc= -4.91! (180deg=-8.6!) USER MOD Single : A 81 MET CE :methyl -150:sc= -1.12 (180deg=-5.15!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 69.749 12.816 0.487 1.00 0.88 N ATOM 45 CA TYR A 5 70.356 11.651 -0.217 1.00 0.86 C ATOM 46 C TYR A 5 69.843 11.580 -1.657 1.00 0.78 C ATOM 47 O TYR A 5 70.462 10.988 -2.519 1.00 0.79 O ATOM 48 CB TYR A 5 69.902 10.428 0.581 1.00 1.02 C ATOM 49 CG TYR A 5 70.175 10.661 2.047 1.00 1.22 C ATOM 50 CD1 TYR A 5 71.412 10.306 2.595 1.00 1.94 C ATOM 51 CD2 TYR A 5 69.191 11.241 2.857 1.00 1.64 C ATOM 52 CE1 TYR A 5 71.667 10.527 3.954 1.00 2.20 C ATOM 53 CE2 TYR A 5 69.445 11.464 4.217 1.00 1.80 C ATOM 54 CZ TYR A 5 70.683 11.107 4.765 1.00 1.77 C ATOM 55 OH TYR A 5 70.933 11.327 6.104 1.00 2.07 O ATOM 0 HA TYR A 5 71.442 11.718 -0.273 1.00 0.86 H new ATOM 0 HB2 TYR A 5 68.839 10.249 0.421 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.430 9.539 0.238 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.171 9.861 1.969 1.00 1.94 H new ATOM 0 HD2 TYR A 5 68.236 11.516 2.434 1.00 1.64 H new ATOM 0 HE1 TYR A 5 72.622 10.250 4.377 1.00 2.20 H new ATOM 0 HE2 TYR A 5 68.686 11.911 4.842 1.00 1.80 H new ATOM 0 HH TYR A 5 70.146 11.737 6.521 1.00 2.07 H new ATOM 65 N LYS A 6 68.719 12.185 -1.927 1.00 0.89 N ATOM 66 CA LYS A 6 68.172 12.156 -3.313 1.00 1.01 C ATOM 67 C LYS A 6 69.212 12.703 -4.294 1.00 0.98 C ATOM 68 O LYS A 6 69.489 12.109 -5.318 1.00 1.00 O ATOM 69 CB LYS A 6 66.941 13.061 -3.273 1.00 1.28 C ATOM 70 CG LYS A 6 66.455 13.326 -4.699 1.00 1.60 C ATOM 71 CD LYS A 6 67.024 14.656 -5.195 1.00 2.04 C ATOM 72 CE LYS A 6 65.884 15.543 -5.701 1.00 2.60 C ATOM 73 NZ LYS A 6 65.097 15.887 -4.483 1.00 3.24 N ATOM 0 H LYS A 6 68.156 12.698 -1.248 1.00 0.89 H new ATOM 0 HA LYS A 6 67.921 11.147 -3.641 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.150 12.591 -2.689 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.184 14.002 -2.780 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.769 12.516 -5.358 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.366 13.353 -4.724 1.00 1.60 H new ATOM 0 HD2 LYS A 6 67.559 15.158 -4.389 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.744 14.480 -5.994 1.00 2.04 H new ATOM 0 HE2 LYS A 6 66.267 16.439 -6.190 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.270 15.018 -6.433 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.699 16.842 -4.585 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 64.324 15.201 -4.364 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 65.718 15.858 -3.649 1.00 3.24 H new ATOM 87 N ALA A 7 69.797 13.830 -3.987 1.00 1.07 N ATOM 88 CA ALA A 7 70.822 14.409 -4.901 1.00 1.20 C ATOM 89 C ALA A 7 71.842 13.334 -5.287 1.00 1.08 C ATOM 90 O ALA A 7 72.240 13.223 -6.430 1.00 1.19 O ATOM 91 CB ALA A 7 71.495 15.519 -4.092 1.00 1.36 C ATOM 0 H ALA A 7 69.609 14.373 -3.144 1.00 1.07 H new ATOM 0 HA ALA A 7 70.387 14.788 -5.826 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.265 15.996 -4.699 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.751 16.261 -3.802 1.00 1.36 H new ATOM 0 HB3 ALA A 7 71.950 15.093 -3.198 1.00 1.36 H new ATOM 97 N ALA A 8 72.265 12.540 -4.341 1.00 0.95 N ATOM 98 CA ALA A 8 73.255 11.471 -4.652 1.00 0.96 C ATOM 99 C ALA A 8 72.615 10.406 -5.545 1.00 0.90 C ATOM 100 O ALA A 8 73.096 10.117 -6.623 1.00 1.01 O ATOM 101 CB ALA A 8 73.636 10.876 -3.297 1.00 0.98 C ATOM 0 H ALA A 8 71.967 12.586 -3.366 1.00 0.95 H new ATOM 0 HA ALA A 8 74.124 11.855 -5.186 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.365 10.079 -3.442 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.069 11.653 -2.667 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.746 10.471 -2.814 1.00 0.98 H new ATOM 107 N VAL A 9 71.531 9.822 -5.108 1.00 0.83 N ATOM 108 CA VAL A 9 70.863 8.779 -5.938 1.00 0.82 C ATOM 109 C VAL A 9 70.614 9.315 -7.351 1.00 0.97 C ATOM 110 O VAL A 9 70.729 8.599 -8.326 1.00 1.02 O ATOM 111 CB VAL A 9 69.537 8.493 -5.231 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.670 7.592 -6.114 1.00 1.05 C ATOM 113 CG2 VAL A 9 69.810 7.787 -3.901 1.00 0.70 C ATOM 0 H VAL A 9 71.081 10.022 -4.215 1.00 0.83 H new ATOM 0 HA VAL A 9 71.470 7.879 -6.039 1.00 0.82 H new ATOM 0 HB VAL A 9 69.016 9.432 -5.046 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.725 7.389 -5.610 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.475 8.092 -7.063 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.192 6.653 -6.299 1.00 1.05 H new ATOM 0 HG21 VAL A 9 68.865 7.583 -3.397 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.332 6.848 -4.088 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.428 8.426 -3.270 1.00 0.70 H new ATOM 123 N GLU A 10 70.277 10.571 -7.468 1.00 1.12 N ATOM 124 CA GLU A 10 70.021 11.154 -8.816 1.00 1.32 C ATOM 125 C GLU A 10 71.279 11.057 -9.681 1.00 1.37 C ATOM 126 O GLU A 10 71.227 11.195 -10.888 1.00 1.56 O ATOM 127 CB GLU A 10 69.663 12.617 -8.555 1.00 1.51 C ATOM 128 CG GLU A 10 68.412 12.988 -9.353 1.00 1.80 C ATOM 129 CD GLU A 10 68.055 14.453 -9.094 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.923 15.181 -8.641 1.00 2.28 O ATOM 131 OE2 GLU A 10 66.921 14.821 -9.351 1.00 2.61 O ATOM 0 H GLU A 10 70.168 11.219 -6.688 1.00 1.12 H new ATOM 0 HA GLU A 10 69.228 10.629 -9.348 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.488 12.775 -7.491 1.00 1.51 H new ATOM 0 HB3 GLU A 10 70.494 13.262 -8.841 1.00 1.51 H new ATOM 0 HG2 GLU A 10 68.586 12.828 -10.417 1.00 1.80 H new ATOM 0 HG3 GLU A 10 67.581 12.344 -9.066 1.00 1.80 H new ATOM 138 N GLN A 11 72.410 10.818 -9.076 1.00 1.29 N ATOM 139 CA GLN A 11 73.669 10.712 -9.866 1.00 1.45 C ATOM 140 C GLN A 11 74.040 9.240 -10.072 1.00 1.35 C ATOM 141 O GLN A 11 75.054 8.922 -10.660 1.00 1.53 O ATOM 142 CB GLN A 11 74.730 11.418 -9.021 1.00 1.61 C ATOM 143 CG GLN A 11 74.419 12.914 -8.955 1.00 2.13 C ATOM 144 CD GLN A 11 75.656 13.669 -8.463 1.00 2.44 C ATOM 145 OE1 GLN A 11 76.771 13.238 -8.678 1.00 2.96 O ATOM 146 NE2 GLN A 11 75.505 14.787 -7.807 1.00 2.71 N ATOM 0 H GLN A 11 72.517 10.692 -8.069 1.00 1.29 H new ATOM 0 HA GLN A 11 73.574 11.159 -10.856 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.750 10.995 -8.016 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.718 11.260 -9.453 1.00 1.61 H new ATOM 0 HG2 GLN A 11 74.124 13.279 -9.939 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.579 13.093 -8.284 1.00 2.13 H new ATOM 0 HE21 GLN A 11 74.569 15.150 -7.626 1.00 2.71 H new ATOM 0 HE22 GLN A 11 76.323 15.298 -7.475 1.00 2.71 H new ATOM 155 N LEU A 12 73.224 8.341 -9.591 1.00 1.18 N ATOM 156 CA LEU A 12 73.532 6.892 -9.761 1.00 1.21 C ATOM 157 C LEU A 12 73.710 6.560 -11.244 1.00 1.11 C ATOM 158 O LEU A 12 73.163 7.217 -12.107 1.00 1.25 O ATOM 159 CB LEU A 12 72.316 6.156 -9.195 1.00 1.32 C ATOM 160 CG LEU A 12 72.521 5.879 -7.705 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.386 4.990 -7.193 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.858 5.163 -7.494 1.00 1.68 C ATOM 0 H LEU A 12 72.360 8.546 -9.089 1.00 1.18 H new ATOM 0 HA LEU A 12 74.454 6.607 -9.255 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.417 6.755 -9.342 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.166 5.219 -9.731 1.00 1.32 H new ATOM 0 HG LEU A 12 72.524 6.823 -7.159 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.530 4.791 -6.131 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.432 5.496 -7.341 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.386 4.048 -7.742 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.002 4.967 -6.432 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.856 4.220 -8.040 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.669 5.792 -7.860 1.00 1.68 H new ATOM 174 N THR A 13 74.467 5.542 -11.547 1.00 1.05 N ATOM 175 CA THR A 13 74.675 5.166 -12.974 1.00 1.13 C ATOM 176 C THR A 13 73.470 4.374 -13.486 1.00 0.94 C ATOM 177 O THR A 13 72.861 3.614 -12.760 1.00 0.87 O ATOM 178 CB THR A 13 75.931 4.293 -12.975 1.00 1.38 C ATOM 179 OG1 THR A 13 75.657 3.071 -12.303 1.00 1.89 O ATOM 180 CG2 THR A 13 77.066 5.026 -12.259 1.00 1.68 C ATOM 0 H THR A 13 74.951 4.954 -10.868 1.00 1.05 H new ATOM 0 HA THR A 13 74.785 6.036 -13.621 1.00 1.13 H new ATOM 0 HB THR A 13 76.228 4.085 -14.003 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.327 2.402 -12.555 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.960 4.402 -12.261 1.00 1.68 H new ATOM 0 HG22 THR A 13 77.276 5.963 -12.775 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.772 5.236 -11.231 1.00 1.68 H new ATOM 188 N GLU A 14 73.117 4.545 -14.730 1.00 0.94 N ATOM 189 CA GLU A 14 71.949 3.798 -15.278 1.00 0.90 C ATOM 190 C GLU A 14 72.017 2.331 -14.846 1.00 0.82 C ATOM 191 O GLU A 14 71.012 1.657 -14.741 1.00 0.82 O ATOM 192 CB GLU A 14 72.073 3.923 -16.798 1.00 1.05 C ATOM 193 CG GLU A 14 73.209 3.027 -17.296 1.00 2.10 C ATOM 194 CD GLU A 14 73.309 3.129 -18.819 1.00 2.64 C ATOM 195 OE1 GLU A 14 72.423 3.723 -19.413 1.00 3.31 O ATOM 196 OE2 GLU A 14 74.269 2.612 -19.366 1.00 2.91 O ATOM 0 H GLU A 14 73.585 5.167 -15.389 1.00 0.94 H new ATOM 0 HA GLU A 14 70.998 4.191 -14.919 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.135 3.637 -17.274 1.00 1.05 H new ATOM 0 HB3 GLU A 14 72.267 4.960 -17.073 1.00 1.05 H new ATOM 0 HG2 GLU A 14 74.151 3.328 -16.838 1.00 2.10 H new ATOM 0 HG3 GLU A 14 73.027 1.993 -17.001 1.00 2.10 H new ATOM 203 N GLU A 15 73.196 1.835 -14.590 1.00 0.92 N ATOM 204 CA GLU A 15 73.329 0.414 -14.160 1.00 1.01 C ATOM 205 C GLU A 15 72.952 0.277 -12.682 1.00 0.90 C ATOM 206 O GLU A 15 72.559 -0.777 -12.227 1.00 0.89 O ATOM 207 CB GLU A 15 74.805 0.074 -14.368 1.00 1.23 C ATOM 208 CG GLU A 15 75.083 -1.333 -13.836 1.00 1.92 C ATOM 209 CD GLU A 15 74.040 -2.304 -14.391 1.00 2.37 C ATOM 210 OE1 GLU A 15 73.596 -2.090 -15.507 1.00 2.80 O ATOM 211 OE2 GLU A 15 73.702 -3.244 -13.691 1.00 2.90 O ATOM 0 H GLU A 15 74.073 2.352 -14.660 1.00 0.92 H new ATOM 0 HA GLU A 15 72.674 -0.252 -14.722 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.057 0.130 -15.427 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.433 0.800 -13.852 1.00 1.23 H new ATOM 0 HG2 GLU A 15 76.084 -1.652 -14.127 1.00 1.92 H new ATOM 0 HG3 GLU A 15 75.053 -1.334 -12.746 1.00 1.92 H new ATOM 218 N GLN A 16 73.072 1.339 -11.932 1.00 0.89 N ATOM 219 CA GLN A 16 72.722 1.273 -10.484 1.00 0.87 C ATOM 220 C GLN A 16 71.211 1.417 -10.295 1.00 0.68 C ATOM 221 O GLN A 16 70.602 0.700 -9.527 1.00 0.67 O ATOM 222 CB GLN A 16 73.455 2.453 -9.846 1.00 0.97 C ATOM 223 CG GLN A 16 74.624 1.933 -9.007 1.00 1.77 C ATOM 224 CD GLN A 16 75.866 1.796 -9.892 1.00 2.15 C ATOM 225 OE1 GLN A 16 76.756 2.750 -9.895 1.00 2.42 O flip ATOM 226 NE2 GLN A 16 76.025 0.813 -10.586 1.00 2.61 N flip ATOM 0 H GLN A 16 73.397 2.249 -12.259 1.00 0.89 H new ATOM 0 HA GLN A 16 73.008 0.322 -10.035 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.820 3.129 -10.619 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.770 3.025 -9.220 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.826 2.616 -8.182 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.369 0.969 -8.567 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.328 0.068 -10.582 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.855 0.732 -11.173 1.00 2.61 H new ATOM 235 N LYS A 17 70.601 2.340 -10.986 1.00 0.63 N ATOM 236 CA LYS A 17 69.128 2.529 -10.839 1.00 0.62 C ATOM 237 C LYS A 17 68.381 1.301 -11.365 1.00 0.60 C ATOM 238 O LYS A 17 67.345 0.927 -10.853 1.00 0.66 O ATOM 239 CB LYS A 17 68.801 3.760 -11.684 1.00 0.74 C ATOM 240 CG LYS A 17 69.618 4.953 -11.186 1.00 1.21 C ATOM 241 CD LYS A 17 68.880 6.253 -11.513 1.00 1.31 C ATOM 242 CE LYS A 17 68.903 7.176 -10.294 1.00 1.43 C ATOM 243 NZ LYS A 17 69.473 8.459 -10.793 1.00 2.06 N ATOM 0 H LYS A 17 71.057 2.971 -11.645 1.00 0.63 H new ATOM 0 HA LYS A 17 68.830 2.658 -9.799 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.025 3.564 -12.733 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.736 3.984 -11.622 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.777 4.874 -10.111 1.00 1.21 H new ATOM 0 HG3 LYS A 17 70.602 4.954 -11.655 1.00 1.21 H new ATOM 0 HD2 LYS A 17 69.350 6.746 -12.364 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.851 6.037 -11.799 1.00 1.31 H new ATOM 0 HE2 LYS A 17 67.901 7.320 -9.889 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.513 6.758 -9.494 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 70.171 8.817 -10.111 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 69.936 8.300 -11.710 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 68.710 9.157 -10.907 1.00 2.06 H new ATOM 257 N ASN A 18 68.897 0.672 -12.384 1.00 0.70 N ATOM 258 CA ASN A 18 68.213 -0.530 -12.941 1.00 0.85 C ATOM 259 C ASN A 18 68.045 -1.597 -11.854 1.00 0.70 C ATOM 260 O ASN A 18 66.943 -1.975 -11.510 1.00 0.66 O ATOM 261 CB ASN A 18 69.137 -1.032 -14.050 1.00 1.11 C ATOM 262 CG ASN A 18 69.097 -0.054 -15.226 1.00 1.68 C ATOM 263 OD1 ASN A 18 68.201 0.761 -15.322 1.00 2.15 O ATOM 264 ND2 ASN A 18 70.034 -0.101 -16.132 1.00 2.13 N ATOM 0 H ASN A 18 69.762 0.937 -12.855 1.00 0.70 H new ATOM 0 HA ASN A 18 67.215 -0.301 -13.315 1.00 0.85 H new ATOM 0 HB2 ASN A 18 70.156 -1.125 -13.675 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.825 -2.024 -14.377 1.00 1.11 H new ATOM 0 HD21 ASN A 18 70.014 0.546 -16.920 1.00 2.13 H new ATOM 0 HD22 ASN A 18 70.787 -0.785 -16.052 1.00 2.13 H new ATOM 271 N GLU A 19 69.127 -2.084 -11.311 1.00 0.76 N ATOM 272 CA GLU A 19 69.022 -3.124 -10.248 1.00 0.79 C ATOM 273 C GLU A 19 68.153 -2.616 -9.095 1.00 0.65 C ATOM 274 O GLU A 19 67.292 -3.315 -8.598 1.00 0.66 O ATOM 275 CB GLU A 19 70.458 -3.356 -9.775 1.00 0.98 C ATOM 276 CG GLU A 19 70.962 -4.699 -10.306 1.00 1.21 C ATOM 277 CD GLU A 19 71.079 -5.696 -9.152 1.00 1.82 C ATOM 278 OE1 GLU A 19 70.051 -6.139 -8.669 1.00 2.44 O ATOM 279 OE2 GLU A 19 72.198 -5.999 -8.768 1.00 2.53 O ATOM 0 H GLU A 19 70.078 -1.808 -11.557 1.00 0.76 H new ATOM 0 HA GLU A 19 68.561 -4.041 -10.613 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.102 -2.550 -10.126 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.499 -3.345 -8.686 1.00 0.98 H new ATOM 0 HG2 GLU A 19 70.278 -5.082 -11.063 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.931 -4.570 -10.788 1.00 1.21 H new ATOM 286 N PHE A 20 68.373 -1.404 -8.662 1.00 0.67 N ATOM 287 CA PHE A 20 67.561 -0.852 -7.539 1.00 0.75 C ATOM 288 C PHE A 20 66.068 -1.046 -7.814 1.00 0.66 C ATOM 289 O PHE A 20 65.376 -1.728 -7.085 1.00 0.79 O ATOM 290 CB PHE A 20 67.904 0.639 -7.497 1.00 0.97 C ATOM 291 CG PHE A 20 69.181 0.846 -6.716 1.00 1.44 C ATOM 292 CD1 PHE A 20 69.382 0.171 -5.506 1.00 2.35 C ATOM 293 CD2 PHE A 20 70.164 1.715 -7.205 1.00 2.24 C ATOM 294 CE1 PHE A 20 70.566 0.367 -4.784 1.00 3.36 C ATOM 295 CE2 PHE A 20 71.348 1.910 -6.484 1.00 3.29 C ATOM 296 CZ PHE A 20 71.548 1.235 -5.273 1.00 3.69 C ATOM 0 H PHE A 20 69.080 -0.772 -9.037 1.00 0.67 H new ATOM 0 HA PHE A 20 67.777 -1.350 -6.594 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.019 1.024 -8.510 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.089 1.197 -7.035 1.00 0.97 H new ATOM 0 HD1 PHE A 20 68.624 -0.500 -5.130 1.00 2.35 H new ATOM 0 HD2 PHE A 20 70.009 2.235 -8.139 1.00 2.24 H new ATOM 0 HE1 PHE A 20 70.721 -0.152 -3.850 1.00 3.36 H new ATOM 0 HE2 PHE A 20 72.106 2.580 -6.861 1.00 3.29 H new ATOM 0 HZ PHE A 20 72.461 1.385 -4.716 1.00 3.69 H new ATOM 306 N LYS A 21 65.563 -0.445 -8.858 1.00 0.60 N ATOM 307 CA LYS A 21 64.113 -0.589 -9.176 1.00 0.65 C ATOM 308 C LYS A 21 63.768 -2.054 -9.463 1.00 0.57 C ATOM 309 O LYS A 21 62.717 -2.536 -9.091 1.00 0.57 O ATOM 310 CB LYS A 21 63.894 0.269 -10.423 1.00 0.78 C ATOM 311 CG LYS A 21 63.789 1.741 -10.020 1.00 1.27 C ATOM 312 CD LYS A 21 64.525 2.606 -11.045 1.00 1.58 C ATOM 313 CE LYS A 21 64.921 3.937 -10.400 1.00 2.42 C ATOM 314 NZ LYS A 21 64.020 4.948 -11.019 1.00 2.88 N ATOM 0 H LYS A 21 66.092 0.140 -9.505 1.00 0.60 H new ATOM 0 HA LYS A 21 63.479 -0.275 -8.347 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.719 0.131 -11.122 1.00 0.78 H new ATOM 0 HB3 LYS A 21 62.985 -0.044 -10.937 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.742 2.039 -9.962 1.00 1.27 H new ATOM 0 HG3 LYS A 21 64.218 1.889 -9.029 1.00 1.27 H new ATOM 0 HD2 LYS A 21 65.413 2.086 -11.405 1.00 1.58 H new ATOM 0 HD3 LYS A 21 63.887 2.785 -11.911 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.794 3.905 -9.318 1.00 2.42 H new ATOM 0 HE3 LYS A 21 65.968 4.172 -10.591 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 64.231 5.888 -10.627 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 64.168 4.961 -12.048 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 63.030 4.702 -10.815 1.00 2.88 H new ATOM 328 N ALA A 22 64.641 -2.763 -10.124 1.00 0.59 N ATOM 329 CA ALA A 22 64.357 -4.193 -10.434 1.00 0.62 C ATOM 330 C ALA A 22 64.411 -5.033 -9.155 1.00 0.50 C ATOM 331 O ALA A 22 63.482 -5.745 -8.829 1.00 0.50 O ATOM 332 CB ALA A 22 65.461 -4.618 -11.402 1.00 0.76 C ATOM 0 H ALA A 22 65.538 -2.415 -10.463 1.00 0.59 H new ATOM 0 HA ALA A 22 63.365 -4.332 -10.863 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.320 -5.663 -11.678 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.419 -3.997 -12.297 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.432 -4.497 -10.922 1.00 0.76 H new ATOM 338 N ALA A 23 65.491 -4.956 -8.428 1.00 0.50 N ATOM 339 CA ALA A 23 65.601 -5.750 -7.171 1.00 0.53 C ATOM 340 C ALA A 23 64.348 -5.557 -6.313 1.00 0.46 C ATOM 341 O ALA A 23 63.686 -6.505 -5.941 1.00 0.52 O ATOM 342 CB ALA A 23 66.833 -5.194 -6.457 1.00 0.64 C ATOM 0 H ALA A 23 66.302 -4.378 -8.649 1.00 0.50 H new ATOM 0 HA ALA A 23 65.691 -6.819 -7.364 1.00 0.53 H new ATOM 0 HB1 ALA A 23 66.982 -5.729 -5.519 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.710 -5.322 -7.091 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.686 -4.134 -6.251 1.00 0.64 H new ATOM 348 N PHE A 24 64.018 -4.334 -5.997 1.00 0.47 N ATOM 349 CA PHE A 24 62.806 -4.081 -5.165 1.00 0.57 C ATOM 350 C PHE A 24 61.621 -4.890 -5.698 1.00 0.48 C ATOM 351 O PHE A 24 60.893 -5.510 -4.949 1.00 0.51 O ATOM 352 CB PHE A 24 62.540 -2.582 -5.303 1.00 0.77 C ATOM 353 CG PHE A 24 61.298 -2.215 -4.527 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.042 -2.645 -4.969 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.404 -1.442 -3.364 1.00 1.54 C ATOM 356 CE1 PHE A 24 58.891 -2.302 -4.250 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.253 -1.099 -2.644 1.00 1.62 C ATOM 358 CZ PHE A 24 58.997 -1.529 -3.087 1.00 1.25 C ATOM 0 H PHE A 24 64.534 -3.500 -6.278 1.00 0.47 H new ATOM 0 HA PHE A 24 62.948 -4.376 -4.125 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.394 -2.015 -4.932 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.416 -2.320 -6.354 1.00 0.77 H new ATOM 0 HD1 PHE A 24 59.961 -3.242 -5.865 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.373 -1.110 -3.022 1.00 1.54 H new ATOM 0 HE1 PHE A 24 57.922 -2.633 -4.592 1.00 1.72 H new ATOM 0 HE2 PHE A 24 60.334 -0.503 -1.747 1.00 1.62 H new ATOM 0 HZ PHE A 24 58.109 -1.265 -2.532 1.00 1.25 H new ATOM 368 N ASP A 25 61.422 -4.889 -6.988 1.00 0.45 N ATOM 369 CA ASP A 25 60.284 -5.660 -7.566 1.00 0.53 C ATOM 370 C ASP A 25 60.520 -7.161 -7.386 1.00 0.52 C ATOM 371 O ASP A 25 59.595 -7.950 -7.389 1.00 0.60 O ATOM 372 CB ASP A 25 60.269 -5.292 -9.050 1.00 0.66 C ATOM 373 CG ASP A 25 60.101 -3.781 -9.202 1.00 0.98 C ATOM 374 OD1 ASP A 25 59.377 -3.201 -8.408 1.00 1.52 O ATOM 375 OD2 ASP A 25 60.698 -3.226 -10.110 1.00 1.55 O ATOM 0 H ASP A 25 61.997 -4.389 -7.666 1.00 0.45 H new ATOM 0 HA ASP A 25 59.336 -5.427 -7.080 1.00 0.53 H new ATOM 0 HB2 ASP A 25 61.196 -5.614 -9.524 1.00 0.66 H new ATOM 0 HB3 ASP A 25 59.455 -5.811 -9.556 1.00 0.66 H new ATOM 380 N ILE A 26 61.751 -7.562 -7.231 1.00 0.50 N ATOM 381 CA ILE A 26 62.048 -9.013 -7.051 1.00 0.63 C ATOM 382 C ILE A 26 62.228 -9.334 -5.566 1.00 0.70 C ATOM 383 O ILE A 26 62.489 -10.459 -5.190 1.00 0.94 O ATOM 384 CB ILE A 26 63.355 -9.250 -7.809 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.239 -8.680 -9.224 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.632 -10.752 -7.888 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.635 -8.383 -9.771 1.00 0.69 C ATOM 0 H ILE A 26 62.566 -6.948 -7.221 1.00 0.50 H new ATOM 0 HA ILE A 26 61.242 -9.647 -7.421 1.00 0.63 H new ATOM 0 HB ILE A 26 64.172 -8.754 -7.285 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.726 -9.390 -9.873 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.640 -7.769 -9.213 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.563 -10.922 -8.428 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.717 -11.160 -6.881 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.813 -11.246 -8.412 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.552 -7.977 -10.779 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.131 -7.657 -9.127 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.219 -9.303 -9.797 1.00 0.69 H new ATOM 399 N PHE A 27 62.095 -8.351 -4.717 1.00 0.61 N ATOM 400 CA PHE A 27 62.263 -8.601 -3.257 1.00 0.79 C ATOM 401 C PHE A 27 60.989 -8.220 -2.501 1.00 0.76 C ATOM 402 O PHE A 27 60.709 -8.737 -1.438 1.00 1.03 O ATOM 403 CB PHE A 27 63.425 -7.702 -2.833 1.00 0.91 C ATOM 404 CG PHE A 27 64.724 -8.282 -3.340 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.073 -9.601 -3.024 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.580 -7.499 -4.122 1.00 2.23 C ATOM 407 CE1 PHE A 27 66.279 -10.136 -3.493 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.786 -8.034 -4.591 1.00 3.07 C ATOM 409 CZ PHE A 27 67.135 -9.353 -4.276 1.00 3.21 C ATOM 0 H PHE A 27 61.878 -7.387 -4.971 1.00 0.61 H new ATOM 0 HA PHE A 27 62.457 -9.651 -3.040 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.284 -6.697 -3.230 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.453 -7.615 -1.747 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.413 -10.205 -2.419 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.310 -6.482 -4.364 1.00 2.23 H new ATOM 0 HE1 PHE A 27 66.549 -11.153 -3.250 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.447 -7.430 -5.195 1.00 3.07 H new ATOM 0 HZ PHE A 27 68.065 -9.766 -4.637 1.00 3.21 H new ATOM 419 N VAL A 28 60.214 -7.318 -3.038 1.00 0.63 N ATOM 420 CA VAL A 28 58.963 -6.905 -2.348 1.00 0.65 C ATOM 421 C VAL A 28 57.846 -7.909 -2.651 1.00 0.65 C ATOM 422 O VAL A 28 56.823 -7.931 -1.995 1.00 0.74 O ATOM 423 CB VAL A 28 58.652 -5.519 -2.921 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.144 -5.272 -2.936 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.330 -4.463 -2.050 1.00 1.47 C ATOM 0 H VAL A 28 60.395 -6.850 -3.926 1.00 0.63 H new ATOM 0 HA VAL A 28 59.058 -6.876 -1.263 1.00 0.65 H new ATOM 0 HB VAL A 28 59.024 -5.462 -3.944 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.941 -4.283 -3.346 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.658 -6.027 -3.553 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.756 -5.330 -1.919 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.116 -3.471 -2.448 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.951 -4.534 -1.030 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.407 -4.629 -2.049 1.00 1.47 H new ATOM 435 N LEU A 29 58.038 -8.741 -3.633 1.00 0.92 N ATOM 436 CA LEU A 29 56.993 -9.748 -3.973 1.00 0.99 C ATOM 437 C LEU A 29 56.556 -10.497 -2.716 1.00 0.99 C ATOM 438 O LEU A 29 55.433 -10.950 -2.606 1.00 1.10 O ATOM 439 CB LEU A 29 57.682 -10.704 -4.939 1.00 1.43 C ATOM 440 CG LEU A 29 57.163 -10.466 -6.358 1.00 1.74 C ATOM 441 CD1 LEU A 29 57.189 -8.967 -6.667 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.056 -11.205 -7.357 1.00 2.45 C ATOM 0 H LEU A 29 58.874 -8.769 -4.217 1.00 0.92 H new ATOM 0 HA LEU A 29 56.101 -9.293 -4.402 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.761 -10.554 -4.906 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.494 -11.735 -4.641 1.00 1.43 H new ATOM 0 HG LEU A 29 56.141 -10.837 -6.437 1.00 1.74 H new ATOM 0 HD11 LEU A 29 56.819 -8.797 -7.678 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.555 -8.438 -5.955 1.00 2.11 H new ATOM 0 HD13 LEU A 29 58.211 -8.597 -6.588 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.687 -11.036 -8.369 1.00 2.45 H new ATOM 0 HD22 LEU A 29 59.077 -10.833 -7.276 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.040 -12.273 -7.138 1.00 2.45 H new ATOM 454 N GLY A 30 57.436 -10.629 -1.764 1.00 1.16 N ATOM 455 CA GLY A 30 57.077 -11.346 -0.509 1.00 1.58 C ATOM 456 C GLY A 30 56.875 -10.327 0.610 1.00 1.39 C ATOM 457 O GLY A 30 56.470 -10.661 1.706 1.00 1.89 O ATOM 0 H GLY A 30 58.390 -10.271 -1.801 1.00 1.16 H new ATOM 0 HA2 GLY A 30 56.167 -11.928 -0.656 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.865 -12.049 -0.239 1.00 1.58 H new ATOM 461 N ALA A 31 57.155 -9.081 0.341 1.00 0.90 N ATOM 462 CA ALA A 31 56.981 -8.033 1.387 1.00 0.95 C ATOM 463 C ALA A 31 55.534 -8.025 1.893 1.00 1.15 C ATOM 464 O ALA A 31 54.809 -8.988 1.744 1.00 1.41 O ATOM 465 CB ALA A 31 57.310 -6.716 0.685 1.00 0.97 C ATOM 0 H ALA A 31 57.497 -8.743 -0.559 1.00 0.90 H new ATOM 0 HA ALA A 31 57.619 -8.204 2.254 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.205 -5.892 1.390 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.334 -6.748 0.314 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.626 -6.568 -0.150 1.00 0.97 H new ATOM 471 N GLU A 32 55.112 -6.945 2.491 1.00 1.35 N ATOM 472 CA GLU A 32 53.714 -6.875 3.006 1.00 1.90 C ATOM 473 C GLU A 32 53.183 -5.445 2.893 1.00 2.05 C ATOM 474 O GLU A 32 52.035 -5.222 2.565 1.00 2.79 O ATOM 475 CB GLU A 32 53.810 -7.299 4.472 1.00 2.37 C ATOM 476 CG GLU A 32 52.555 -8.082 4.860 1.00 2.44 C ATOM 477 CD GLU A 32 52.774 -9.569 4.575 1.00 2.83 C ATOM 478 OE1 GLU A 32 53.868 -9.918 4.160 1.00 3.24 O ATOM 479 OE2 GLU A 32 51.845 -10.334 4.776 1.00 3.29 O ATOM 0 H GLU A 32 55.674 -6.108 2.646 1.00 1.35 H new ATOM 0 HA GLU A 32 53.032 -7.512 2.443 1.00 1.90 H new ATOM 0 HB2 GLU A 32 54.697 -7.913 4.627 1.00 2.37 H new ATOM 0 HB3 GLU A 32 53.915 -6.421 5.109 1.00 2.37 H new ATOM 0 HG2 GLU A 32 52.332 -7.932 5.916 1.00 2.44 H new ATOM 0 HG3 GLU A 32 51.696 -7.715 4.298 1.00 2.44 H new ATOM 486 N ASP A 33 54.012 -4.473 3.162 1.00 1.80 N ATOM 487 CA ASP A 33 53.558 -3.057 3.072 1.00 2.11 C ATOM 488 C ASP A 33 54.149 -2.393 1.826 1.00 1.47 C ATOM 489 O ASP A 33 54.332 -1.193 1.778 1.00 1.80 O ATOM 490 CB ASP A 33 54.091 -2.390 4.340 1.00 3.12 C ATOM 491 CG ASP A 33 53.189 -1.214 4.718 1.00 3.68 C ATOM 492 OD1 ASP A 33 52.140 -1.456 5.290 1.00 4.12 O ATOM 493 OD2 ASP A 33 53.564 -0.090 4.427 1.00 4.09 O ATOM 0 H ASP A 33 54.985 -4.599 3.440 1.00 1.80 H new ATOM 0 HA ASP A 33 52.474 -2.973 2.993 1.00 2.11 H new ATOM 0 HB2 ASP A 33 54.126 -3.112 5.156 1.00 3.12 H new ATOM 0 HB3 ASP A 33 55.111 -2.042 4.179 1.00 3.12 H new ATOM 498 N GLY A 34 54.449 -3.165 0.818 1.00 1.10 N ATOM 499 CA GLY A 34 55.029 -2.579 -0.424 1.00 1.40 C ATOM 500 C GLY A 34 56.362 -1.904 -0.094 1.00 1.17 C ATOM 501 O GLY A 34 56.655 -0.823 -0.565 1.00 1.39 O ATOM 0 H GLY A 34 54.318 -4.176 0.800 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.179 -3.358 -1.171 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.338 -1.854 -0.854 1.00 1.40 H new ATOM 505 N SER A 35 57.171 -2.532 0.714 1.00 0.84 N ATOM 506 CA SER A 35 58.485 -1.925 1.076 1.00 0.70 C ATOM 507 C SER A 35 59.504 -3.022 1.388 1.00 0.67 C ATOM 508 O SER A 35 59.197 -4.196 1.353 1.00 0.80 O ATOM 509 CB SER A 35 58.201 -1.087 2.320 1.00 0.75 C ATOM 510 OG SER A 35 57.249 -1.761 3.133 1.00 1.04 O ATOM 0 H SER A 35 56.980 -3.439 1.140 1.00 0.84 H new ATOM 0 HA SER A 35 58.902 -1.326 0.267 1.00 0.70 H new ATOM 0 HB2 SER A 35 59.122 -0.922 2.879 1.00 0.75 H new ATOM 0 HB3 SER A 35 57.822 -0.106 2.033 1.00 0.75 H new ATOM 0 HG SER A 35 57.184 -1.312 4.001 1.00 1.04 H new ATOM 516 N ILE A 36 60.716 -2.648 1.697 1.00 0.69 N ATOM 517 CA ILE A 36 61.755 -3.673 2.015 1.00 0.78 C ATOM 518 C ILE A 36 62.456 -3.307 3.327 1.00 0.71 C ATOM 519 O ILE A 36 63.415 -2.560 3.341 1.00 0.98 O ATOM 520 CB ILE A 36 62.761 -3.655 0.849 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.148 -3.002 -0.397 1.00 1.09 C ATOM 522 CG2 ILE A 36 63.155 -5.093 0.508 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.176 -3.003 -1.530 1.00 1.22 C ATOM 0 H ILE A 36 61.033 -1.679 1.743 1.00 0.69 H new ATOM 0 HA ILE A 36 61.316 -4.663 2.135 1.00 0.78 H new ATOM 0 HB ILE A 36 63.634 -3.077 1.154 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.253 -3.545 -0.703 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.840 -1.981 -0.172 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.867 -5.089 -0.317 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.612 -5.562 1.380 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.267 -5.655 0.218 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.742 -2.539 -2.416 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.058 -2.441 -1.222 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.462 -4.029 -1.761 1.00 1.22 H new ATOM 535 N SER A 37 61.982 -3.823 4.429 1.00 0.87 N ATOM 536 CA SER A 37 62.619 -3.499 5.738 1.00 0.87 C ATOM 537 C SER A 37 63.891 -4.328 5.938 1.00 0.76 C ATOM 538 O SER A 37 64.155 -5.265 5.213 1.00 0.87 O ATOM 539 CB SER A 37 61.573 -3.868 6.789 1.00 1.12 C ATOM 540 OG SER A 37 61.431 -5.282 6.836 1.00 1.52 O ATOM 0 H SER A 37 61.182 -4.454 4.479 1.00 0.87 H new ATOM 0 HA SER A 37 62.913 -2.451 5.800 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.873 -3.489 7.766 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.617 -3.403 6.546 1.00 1.12 H new ATOM 0 HG SER A 37 60.762 -5.521 7.511 1.00 1.52 H new ATOM 546 N THR A 38 64.678 -3.985 6.921 1.00 0.71 N ATOM 547 CA THR A 38 65.933 -4.749 7.176 1.00 0.65 C ATOM 548 C THR A 38 65.678 -6.252 7.037 1.00 0.70 C ATOM 549 O THR A 38 66.532 -6.999 6.600 1.00 1.37 O ATOM 550 CB THR A 38 66.345 -4.404 8.611 1.00 0.76 C ATOM 551 OG1 THR A 38 67.167 -5.441 9.128 1.00 1.55 O ATOM 552 CG2 THR A 38 65.102 -4.254 9.487 1.00 1.00 C ATOM 0 H THR A 38 64.506 -3.208 7.559 1.00 0.71 H new ATOM 0 HA THR A 38 66.715 -4.490 6.462 1.00 0.65 H new ATOM 0 HB THR A 38 66.897 -3.464 8.610 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.433 -5.221 10.045 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.402 -4.009 10.506 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.473 -3.456 9.092 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.543 -5.190 9.489 1.00 1.00 H new ATOM 560 N LYS A 39 64.509 -6.703 7.400 1.00 0.60 N ATOM 561 CA LYS A 39 64.204 -8.158 7.283 1.00 0.66 C ATOM 562 C LYS A 39 63.996 -8.531 5.813 1.00 0.64 C ATOM 563 O LYS A 39 64.309 -9.627 5.390 1.00 0.87 O ATOM 564 CB LYS A 39 62.914 -8.360 8.078 1.00 0.81 C ATOM 565 CG LYS A 39 62.707 -9.853 8.345 1.00 1.42 C ATOM 566 CD LYS A 39 61.769 -10.435 7.287 1.00 1.58 C ATOM 567 CE LYS A 39 61.309 -11.827 7.724 1.00 2.15 C ATOM 568 NZ LYS A 39 61.887 -12.758 6.715 1.00 2.80 N ATOM 0 H LYS A 39 63.753 -6.129 7.772 1.00 0.60 H new ATOM 0 HA LYS A 39 65.013 -8.784 7.660 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.966 -7.815 9.021 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.066 -7.958 7.524 1.00 0.81 H new ATOM 0 HG2 LYS A 39 63.665 -10.373 8.323 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.287 -10.001 9.340 1.00 1.42 H new ATOM 0 HD2 LYS A 39 60.907 -9.782 7.151 1.00 1.58 H new ATOM 0 HD3 LYS A 39 62.280 -10.494 6.326 1.00 1.58 H new ATOM 0 HE2 LYS A 39 61.663 -12.063 8.727 1.00 2.15 H new ATOM 0 HE3 LYS A 39 60.221 -11.894 7.746 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 61.615 -13.734 6.947 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 61.527 -12.514 5.771 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 62.924 -12.677 6.722 1.00 2.80 H new ATOM 582 N GLU A 40 63.472 -7.627 5.033 1.00 0.63 N ATOM 583 CA GLU A 40 63.244 -7.924 3.590 1.00 0.68 C ATOM 584 C GLU A 40 64.425 -7.420 2.756 1.00 0.66 C ATOM 585 O GLU A 40 64.784 -8.002 1.753 1.00 0.83 O ATOM 586 CB GLU A 40 61.969 -7.163 3.225 1.00 0.86 C ATOM 587 CG GLU A 40 60.790 -8.135 3.167 1.00 1.05 C ATOM 588 CD GLU A 40 60.944 -9.048 1.950 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.077 -8.525 0.856 1.00 2.32 O ATOM 590 OE2 GLU A 40 60.925 -10.253 2.131 1.00 1.92 O ATOM 0 H GLU A 40 63.191 -6.693 5.333 1.00 0.63 H new ATOM 0 HA GLU A 40 63.150 -8.993 3.398 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.775 -6.384 3.962 1.00 0.86 H new ATOM 0 HB3 GLU A 40 62.092 -6.667 2.262 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.750 -8.730 4.079 1.00 1.05 H new ATOM 0 HG3 GLU A 40 59.852 -7.583 3.105 1.00 1.05 H new ATOM 597 N LEU A 41 65.031 -6.341 3.168 1.00 0.73 N ATOM 598 CA LEU A 41 66.187 -5.795 2.401 1.00 0.80 C ATOM 599 C LEU A 41 67.426 -6.670 2.610 1.00 0.72 C ATOM 600 O LEU A 41 68.446 -6.479 1.977 1.00 0.81 O ATOM 601 CB LEU A 41 66.417 -4.398 2.975 1.00 1.10 C ATOM 602 CG LEU A 41 67.201 -3.556 1.970 1.00 1.23 C ATOM 603 CD1 LEU A 41 66.235 -2.946 0.953 1.00 1.94 C ATOM 604 CD2 LEU A 41 67.938 -2.436 2.709 1.00 1.83 C ATOM 0 H LEU A 41 64.776 -5.813 4.003 1.00 0.73 H new ATOM 0 HA LEU A 41 65.994 -5.771 1.328 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.461 -3.923 3.197 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.965 -4.465 3.915 1.00 1.10 H new ATOM 0 HG LEU A 41 67.923 -4.187 1.452 1.00 1.23 H new ATOM 0 HD11 LEU A 41 66.794 -2.345 0.236 1.00 1.94 H new ATOM 0 HD12 LEU A 41 65.709 -3.743 0.427 1.00 1.94 H new ATOM 0 HD13 LEU A 41 65.513 -2.315 1.471 1.00 1.94 H new ATOM 0 HD21 LEU A 41 68.498 -1.835 1.993 1.00 1.83 H new ATOM 0 HD22 LEU A 41 67.216 -1.805 3.227 1.00 1.83 H new ATOM 0 HD23 LEU A 41 68.626 -2.870 3.434 1.00 1.83 H new ATOM 616 N GLY A 42 67.347 -7.629 3.491 1.00 0.72 N ATOM 617 CA GLY A 42 68.523 -8.511 3.734 1.00 0.91 C ATOM 618 C GLY A 42 68.927 -9.194 2.427 1.00 0.78 C ATOM 619 O GLY A 42 70.093 -9.300 2.106 1.00 0.84 O ATOM 0 H GLY A 42 66.521 -7.840 4.052 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.356 -7.925 4.123 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.280 -9.260 4.488 1.00 0.91 H new ATOM 623 N LYS A 43 67.971 -9.660 1.671 1.00 0.77 N ATOM 624 CA LYS A 43 68.301 -10.337 0.383 1.00 0.86 C ATOM 625 C LYS A 43 68.705 -9.303 -0.671 1.00 0.79 C ATOM 626 O LYS A 43 69.364 -9.619 -1.642 1.00 0.99 O ATOM 627 CB LYS A 43 67.013 -11.046 -0.031 1.00 0.95 C ATOM 628 CG LYS A 43 67.117 -12.533 0.317 1.00 1.34 C ATOM 629 CD LYS A 43 66.518 -13.365 -0.818 1.00 2.13 C ATOM 630 CE LYS A 43 64.995 -13.402 -0.676 1.00 2.65 C ATOM 631 NZ LYS A 43 64.517 -14.156 -1.867 1.00 2.98 N ATOM 0 H LYS A 43 66.976 -9.602 1.888 1.00 0.77 H new ATOM 0 HA LYS A 43 69.136 -11.031 0.483 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.159 -10.601 0.480 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.844 -10.922 -1.101 1.00 0.95 H new ATOM 0 HG2 LYS A 43 68.160 -12.809 0.473 1.00 1.34 H new ATOM 0 HG3 LYS A 43 66.590 -12.737 1.249 1.00 1.34 H new ATOM 0 HD2 LYS A 43 66.794 -12.936 -1.782 1.00 2.13 H new ATOM 0 HD3 LYS A 43 66.921 -14.378 -0.792 1.00 2.13 H new ATOM 0 HE2 LYS A 43 64.696 -13.895 0.249 1.00 2.65 H new ATOM 0 HE3 LYS A 43 64.576 -12.396 -0.651 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 63.480 -14.224 -1.841 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 64.810 -13.660 -2.733 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 64.927 -15.112 -1.860 1.00 2.98 H new ATOM 645 N VAL A 44 68.316 -8.072 -0.488 1.00 0.72 N ATOM 646 CA VAL A 44 68.679 -7.021 -1.481 1.00 0.93 C ATOM 647 C VAL A 44 70.134 -6.590 -1.282 1.00 0.89 C ATOM 648 O VAL A 44 70.764 -6.064 -2.176 1.00 1.06 O ATOM 649 CB VAL A 44 67.727 -5.859 -1.193 1.00 1.18 C ATOM 650 CG1 VAL A 44 68.071 -4.676 -2.100 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.288 -6.305 -1.463 1.00 1.80 C ATOM 0 H VAL A 44 67.763 -7.748 0.305 1.00 0.72 H new ATOM 0 HA VAL A 44 68.590 -7.372 -2.509 1.00 0.93 H new ATOM 0 HB VAL A 44 67.828 -5.557 -0.151 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.391 -3.849 -1.893 1.00 1.72 H new ATOM 0 HG12 VAL A 44 69.097 -4.359 -1.911 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.970 -4.976 -3.143 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.607 -5.479 -1.259 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.190 -6.607 -2.506 1.00 1.80 H new ATOM 0 HG23 VAL A 44 66.041 -7.147 -0.817 1.00 1.80 H new ATOM 661 N MET A 45 70.672 -6.808 -0.113 1.00 0.86 N ATOM 662 CA MET A 45 72.086 -6.412 0.141 1.00 1.06 C ATOM 663 C MET A 45 73.045 -7.464 -0.424 1.00 1.08 C ATOM 664 O MET A 45 73.920 -7.162 -1.211 1.00 1.14 O ATOM 665 CB MET A 45 72.207 -6.336 1.663 1.00 1.34 C ATOM 666 CG MET A 45 71.486 -5.086 2.170 1.00 1.88 C ATOM 667 SD MET A 45 72.480 -4.297 3.461 1.00 2.45 S ATOM 668 CE MET A 45 73.310 -3.088 2.402 1.00 3.35 C ATOM 0 H MET A 45 70.194 -7.243 0.676 1.00 0.86 H new ATOM 0 HA MET A 45 72.341 -5.466 -0.337 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.775 -7.228 2.118 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.257 -6.306 1.954 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.320 -4.390 1.348 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.505 -5.353 2.564 1.00 1.88 H new ATOM 0 HE1 MET A 45 74.110 -2.603 2.961 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.730 -3.594 1.533 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.591 -2.338 2.073 1.00 3.35 H new ATOM 678 N ARG A 46 72.890 -8.697 -0.023 1.00 1.20 N ATOM 679 CA ARG A 46 73.796 -9.768 -0.532 1.00 1.46 C ATOM 680 C ARG A 46 73.779 -9.801 -2.063 1.00 1.52 C ATOM 681 O ARG A 46 74.764 -10.126 -2.697 1.00 1.73 O ATOM 682 CB ARG A 46 73.228 -11.071 0.035 1.00 1.74 C ATOM 683 CG ARG A 46 74.306 -11.789 0.851 1.00 1.93 C ATOM 684 CD ARG A 46 73.703 -12.290 2.166 1.00 2.48 C ATOM 685 NE ARG A 46 74.120 -13.716 2.263 1.00 2.64 N ATOM 686 CZ ARG A 46 73.425 -14.551 2.987 1.00 3.08 C ATOM 687 NH1 ARG A 46 73.093 -14.235 4.209 1.00 3.41 N ATOM 688 NH2 ARG A 46 73.064 -15.703 2.491 1.00 3.64 N ATOM 0 H ARG A 46 72.176 -9.009 0.635 1.00 1.20 H new ATOM 0 HA ARG A 46 74.831 -9.606 -0.231 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.363 -10.859 0.663 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.884 -11.713 -0.776 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.710 -12.626 0.282 1.00 1.93 H new ATOM 0 HG3 ARG A 46 75.135 -11.111 1.054 1.00 1.93 H new ATOM 0 HD2 ARG A 46 74.071 -11.713 3.014 1.00 2.48 H new ATOM 0 HD3 ARG A 46 72.617 -12.196 2.163 1.00 2.48 H new ATOM 0 HE ARG A 46 74.948 -14.040 1.764 1.00 2.64 H new ATOM 0 HH11 ARG A 46 73.377 -13.336 4.598 1.00 3.41 H new ATOM 0 HH12 ARG A 46 72.550 -14.887 4.775 1.00 3.41 H new ATOM 0 HH21 ARG A 46 73.325 -15.952 1.537 1.00 3.64 H new ATOM 0 HH22 ARG A 46 72.521 -16.355 3.058 1.00 3.64 H new ATOM 702 N MET A 47 72.667 -9.473 -2.662 1.00 1.46 N ATOM 703 CA MET A 47 72.591 -9.494 -4.153 1.00 1.73 C ATOM 704 C MET A 47 73.218 -8.225 -4.742 1.00 1.75 C ATOM 705 O MET A 47 73.749 -8.235 -5.835 1.00 2.01 O ATOM 706 CB MET A 47 71.094 -9.564 -4.474 1.00 1.70 C ATOM 707 CG MET A 47 70.462 -8.179 -4.323 1.00 1.96 C ATOM 708 SD MET A 47 70.606 -7.276 -5.886 1.00 1.94 S ATOM 709 CE MET A 47 69.155 -7.993 -6.696 1.00 1.52 C ATOM 0 H MET A 47 71.810 -9.192 -2.186 1.00 1.46 H new ATOM 0 HA MET A 47 73.137 -10.335 -4.581 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.948 -9.931 -5.490 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.603 -10.272 -3.806 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.413 -8.275 -4.041 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.957 -7.627 -3.525 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.399 -8.236 -7.730 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.856 -8.900 -6.171 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.335 -7.275 -6.675 1.00 1.52 H new ATOM 719 N LEU A 48 73.160 -7.134 -4.030 1.00 1.60 N ATOM 720 CA LEU A 48 73.749 -5.869 -4.556 1.00 1.69 C ATOM 721 C LEU A 48 75.275 -5.895 -4.420 1.00 1.68 C ATOM 722 O LEU A 48 75.982 -5.223 -5.145 1.00 1.99 O ATOM 723 CB LEU A 48 73.148 -4.760 -3.691 1.00 1.73 C ATOM 724 CG LEU A 48 71.708 -4.491 -4.135 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.050 -3.503 -3.170 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.712 -3.897 -5.544 1.00 2.15 C ATOM 0 H LEU A 48 72.731 -7.063 -3.107 1.00 1.60 H new ATOM 0 HA LEU A 48 73.531 -5.722 -5.614 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.168 -5.052 -2.641 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.743 -3.851 -3.780 1.00 1.73 H new ATOM 0 HG LEU A 48 71.149 -5.427 -4.134 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.025 -3.312 -3.487 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.046 -3.924 -2.165 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.609 -2.568 -3.169 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.687 -3.705 -5.861 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.273 -2.962 -5.543 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.179 -4.600 -6.234 1.00 2.15 H new ATOM 738 N GLY A 49 75.789 -6.666 -3.501 1.00 1.63 N ATOM 739 CA GLY A 49 77.268 -6.731 -3.328 1.00 1.87 C ATOM 740 C GLY A 49 77.633 -6.392 -1.882 1.00 1.54 C ATOM 741 O GLY A 49 78.618 -5.731 -1.619 1.00 1.53 O ATOM 0 H GLY A 49 75.250 -7.253 -2.864 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.630 -7.728 -3.581 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.755 -6.033 -4.009 1.00 1.87 H new ATOM 745 N GLN A 50 76.848 -6.840 -0.941 1.00 1.37 N ATOM 746 CA GLN A 50 77.151 -6.542 0.488 1.00 1.17 C ATOM 747 C GLN A 50 76.950 -7.798 1.341 1.00 1.24 C ATOM 748 O GLN A 50 76.431 -8.795 0.879 1.00 1.75 O ATOM 749 CB GLN A 50 76.153 -5.455 0.885 1.00 1.29 C ATOM 750 CG GLN A 50 76.369 -4.218 0.010 1.00 1.28 C ATOM 751 CD GLN A 50 76.461 -2.976 0.897 1.00 1.41 C ATOM 752 OE1 GLN A 50 77.181 -2.966 1.876 1.00 1.89 O ATOM 753 NE2 GLN A 50 75.759 -1.919 0.593 1.00 1.85 N ATOM 0 H GLN A 50 76.010 -7.399 -1.100 1.00 1.37 H new ATOM 0 HA GLN A 50 78.182 -6.220 0.636 1.00 1.17 H new ATOM 0 HB2 GLN A 50 75.133 -5.822 0.768 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.280 -5.196 1.936 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.282 -4.328 -0.575 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.547 -4.112 -0.698 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.155 -1.927 -0.229 1.00 1.85 H new ATOM 0 HE22 GLN A 50 75.815 -1.085 1.177 1.00 1.85 H new ATOM 762 N ASN A 51 77.356 -7.760 2.581 1.00 1.18 N ATOM 763 CA ASN A 51 77.184 -8.957 3.456 1.00 1.29 C ATOM 764 C ASN A 51 77.353 -8.573 4.928 1.00 1.07 C ATOM 765 O ASN A 51 78.145 -9.160 5.636 1.00 1.45 O ATOM 766 CB ASN A 51 78.289 -9.923 3.025 1.00 1.96 C ATOM 767 CG ASN A 51 77.721 -11.340 2.936 1.00 2.61 C ATOM 768 OD1 ASN A 51 77.571 -12.011 3.938 1.00 3.07 O ATOM 769 ND2 ASN A 51 77.396 -11.829 1.770 1.00 3.29 N ATOM 0 H ASN A 51 77.798 -6.955 3.026 1.00 1.18 H new ATOM 0 HA ASN A 51 76.192 -9.398 3.358 1.00 1.29 H new ATOM 0 HB2 ASN A 51 78.695 -9.621 2.059 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.112 -9.894 3.740 1.00 1.96 H new ATOM 0 HD21 ASN A 51 77.017 -12.773 1.701 1.00 3.29 H new ATOM 0 HD22 ASN A 51 77.521 -11.267 0.928 1.00 3.29 H new ATOM 776 N PRO A 52 76.593 -7.595 5.339 1.00 1.47 N ATOM 777 CA PRO A 52 76.650 -7.124 6.745 1.00 2.11 C ATOM 778 C PRO A 52 75.996 -8.148 7.678 1.00 1.79 C ATOM 779 O PRO A 52 75.734 -9.271 7.296 1.00 2.07 O ATOM 780 CB PRO A 52 75.851 -5.823 6.718 1.00 2.97 C ATOM 781 CG PRO A 52 74.928 -5.959 5.550 1.00 2.97 C ATOM 782 CD PRO A 52 75.618 -6.843 4.543 1.00 2.03 C ATOM 0 HA PRO A 52 77.667 -6.986 7.111 1.00 2.11 H new ATOM 0 HB2 PRO A 52 75.296 -5.682 7.645 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.507 -4.960 6.604 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.978 -6.395 5.858 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.706 -4.983 5.118 1.00 2.97 H new ATOM 0 HD2 PRO A 52 74.912 -7.508 4.045 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.106 -6.256 3.765 1.00 2.03 H new ATOM 790 N THR A 53 75.732 -7.770 8.899 1.00 1.42 N ATOM 791 CA THR A 53 75.095 -8.724 9.854 1.00 1.16 C ATOM 792 C THR A 53 73.720 -8.205 10.283 1.00 0.98 C ATOM 793 O THR A 53 73.374 -7.070 10.019 1.00 0.92 O ATOM 794 CB THR A 53 76.043 -8.777 11.053 1.00 1.19 C ATOM 795 OG1 THR A 53 76.774 -7.560 11.129 1.00 1.40 O ATOM 796 CG2 THR A 53 77.014 -9.949 10.888 1.00 1.36 C ATOM 0 H THR A 53 75.929 -6.843 9.277 1.00 1.42 H new ATOM 0 HA THR A 53 74.940 -9.708 9.411 1.00 1.16 H new ATOM 0 HB THR A 53 75.466 -8.914 11.968 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.381 -7.591 11.898 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.689 -9.985 11.743 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.452 -10.881 10.829 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.593 -9.816 9.974 1.00 1.36 H new ATOM 804 N PRO A 54 72.980 -9.058 10.938 1.00 0.99 N ATOM 805 CA PRO A 54 71.627 -8.683 11.416 1.00 1.04 C ATOM 806 C PRO A 54 71.732 -7.709 12.593 1.00 0.93 C ATOM 807 O PRO A 54 70.792 -7.011 12.919 1.00 0.94 O ATOM 808 CB PRO A 54 71.021 -10.012 11.859 1.00 1.19 C ATOM 809 CG PRO A 54 72.194 -10.883 12.179 1.00 1.18 C ATOM 810 CD PRO A 54 73.329 -10.438 11.293 1.00 1.10 C ATOM 0 HA PRO A 54 71.026 -8.181 10.658 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.377 -9.882 12.729 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.408 -10.449 11.071 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.467 -10.791 13.230 1.00 1.18 H new ATOM 0 HG3 PRO A 54 71.955 -11.932 12.002 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.285 -10.487 11.814 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.416 -11.068 10.408 1.00 1.10 H new ATOM 818 N GLU A 55 72.869 -7.653 13.229 1.00 0.98 N ATOM 819 CA GLU A 55 73.035 -6.721 14.379 1.00 1.08 C ATOM 820 C GLU A 55 73.164 -5.282 13.872 1.00 0.97 C ATOM 821 O GLU A 55 72.518 -4.379 14.364 1.00 1.01 O ATOM 822 CB GLU A 55 74.327 -7.162 15.068 1.00 1.28 C ATOM 823 CG GLU A 55 74.743 -6.108 16.095 1.00 2.15 C ATOM 824 CD GLU A 55 76.163 -6.401 16.584 1.00 2.57 C ATOM 825 OE1 GLU A 55 76.730 -7.384 16.137 1.00 2.81 O ATOM 826 OE2 GLU A 55 76.658 -5.637 17.396 1.00 3.14 O ATOM 0 H GLU A 55 73.691 -8.213 13.002 1.00 0.98 H new ATOM 0 HA GLU A 55 72.183 -6.748 15.059 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.180 -8.124 15.558 1.00 1.28 H new ATOM 0 HB3 GLU A 55 75.117 -7.298 14.330 1.00 1.28 H new ATOM 0 HG2 GLU A 55 74.699 -5.114 15.650 1.00 2.15 H new ATOM 0 HG3 GLU A 55 74.050 -6.112 16.936 1.00 2.15 H new ATOM 833 N GLU A 56 73.993 -5.065 12.887 1.00 0.92 N ATOM 834 CA GLU A 56 74.163 -3.688 12.344 1.00 0.94 C ATOM 835 C GLU A 56 72.987 -3.333 11.429 1.00 0.84 C ATOM 836 O GLU A 56 72.515 -2.214 11.413 1.00 0.94 O ATOM 837 CB GLU A 56 75.469 -3.733 11.550 1.00 1.06 C ATOM 838 CG GLU A 56 75.725 -2.369 10.908 1.00 1.60 C ATOM 839 CD GLU A 56 76.360 -1.431 11.936 1.00 1.83 C ATOM 840 OE1 GLU A 56 75.837 -1.347 13.035 1.00 2.50 O ATOM 841 OE2 GLU A 56 77.360 -0.813 11.606 1.00 2.08 O ATOM 0 H GLU A 56 74.560 -5.783 12.435 1.00 0.92 H new ATOM 0 HA GLU A 56 74.192 -2.934 13.130 1.00 0.94 H new ATOM 0 HB2 GLU A 56 76.297 -3.998 12.207 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.413 -4.504 10.781 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.383 -2.479 10.046 1.00 1.60 H new ATOM 0 HG3 GLU A 56 74.789 -1.946 10.543 1.00 1.60 H new ATOM 848 N LEU A 57 72.510 -4.280 10.667 1.00 0.73 N ATOM 849 CA LEU A 57 71.364 -3.994 9.756 1.00 0.78 C ATOM 850 C LEU A 57 70.293 -3.191 10.497 1.00 0.80 C ATOM 851 O LEU A 57 70.028 -2.050 10.175 1.00 0.89 O ATOM 852 CB LEU A 57 70.826 -5.367 9.355 1.00 0.85 C ATOM 853 CG LEU A 57 71.270 -5.690 7.927 1.00 0.84 C ATOM 854 CD1 LEU A 57 71.286 -7.206 7.728 1.00 1.30 C ATOM 855 CD2 LEU A 57 70.293 -5.056 6.935 1.00 1.10 C ATOM 0 H LEU A 57 72.863 -5.237 10.636 1.00 0.73 H new ATOM 0 HA LEU A 57 71.660 -3.405 8.888 1.00 0.78 H new ATOM 0 HB2 LEU A 57 71.193 -6.129 10.043 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.738 -5.377 9.420 1.00 0.85 H new ATOM 0 HG LEU A 57 72.270 -5.291 7.758 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.602 -7.436 6.711 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.981 -7.658 8.435 1.00 1.30 H new ATOM 0 HD13 LEU A 57 70.286 -7.606 7.896 1.00 1.30 H new ATOM 0 HD21 LEU A 57 70.608 -5.285 5.917 1.00 1.10 H new ATOM 0 HD22 LEU A 57 69.293 -5.455 7.104 1.00 1.10 H new ATOM 0 HD23 LEU A 57 70.281 -3.975 7.076 1.00 1.10 H new ATOM 867 N GLN A 58 69.680 -3.775 11.490 1.00 0.81 N ATOM 868 CA GLN A 58 68.631 -3.038 12.252 1.00 0.95 C ATOM 869 C GLN A 58 69.127 -1.632 12.590 1.00 0.99 C ATOM 870 O GLN A 58 68.389 -0.668 12.522 1.00 1.13 O ATOM 871 CB GLN A 58 68.422 -3.855 13.528 1.00 1.09 C ATOM 872 CG GLN A 58 67.214 -3.312 14.292 1.00 1.25 C ATOM 873 CD GLN A 58 65.940 -3.570 13.484 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.562 -2.696 12.591 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 65.283 -4.574 13.667 1.00 1.74 N flip ATOM 0 H GLN A 58 69.859 -4.728 11.806 1.00 0.81 H new ATOM 0 HA GLN A 58 67.706 -2.925 11.687 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.266 -4.904 13.278 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.313 -3.806 14.154 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.142 -3.792 15.268 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.334 -2.243 14.471 1.00 1.25 H new ATOM 0 HE21 GLN A 58 65.579 -5.257 14.365 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.435 -4.735 13.123 1.00 1.74 H new ATOM 884 N GLU A 59 70.374 -1.506 12.953 1.00 0.97 N ATOM 885 CA GLU A 59 70.921 -0.163 13.293 1.00 1.14 C ATOM 886 C GLU A 59 71.243 0.613 12.013 1.00 1.11 C ATOM 887 O GLU A 59 71.426 1.814 12.032 1.00 1.18 O ATOM 888 CB GLU A 59 72.197 -0.444 14.088 1.00 1.23 C ATOM 889 CG GLU A 59 71.834 -0.751 15.542 1.00 1.60 C ATOM 890 CD GLU A 59 73.061 -1.308 16.268 1.00 2.19 C ATOM 891 OE1 GLU A 59 73.385 -2.463 16.042 1.00 2.75 O ATOM 892 OE2 GLU A 59 73.655 -0.570 17.037 1.00 2.77 O ATOM 0 H GLU A 59 71.038 -2.276 13.029 1.00 0.97 H new ATOM 0 HA GLU A 59 70.214 0.441 13.861 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.733 -1.286 13.650 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.864 0.417 14.042 1.00 1.23 H new ATOM 0 HG2 GLU A 59 71.484 0.153 16.039 1.00 1.60 H new ATOM 0 HG3 GLU A 59 71.018 -1.472 15.580 1.00 1.60 H new ATOM 899 N MET A 60 71.312 -0.064 10.899 1.00 1.11 N ATOM 900 CA MET A 60 71.620 0.633 9.618 1.00 1.18 C ATOM 901 C MET A 60 70.423 1.481 9.180 1.00 1.13 C ATOM 902 O MET A 60 70.573 2.600 8.730 1.00 1.25 O ATOM 903 CB MET A 60 71.884 -0.487 8.610 1.00 1.22 C ATOM 904 CG MET A 60 72.925 -0.022 7.590 1.00 1.62 C ATOM 905 SD MET A 60 72.394 1.545 6.855 1.00 1.82 S ATOM 906 CE MET A 60 74.042 2.195 6.489 1.00 2.02 C ATOM 0 H MET A 60 71.168 -1.071 10.821 1.00 1.11 H new ATOM 0 HA MET A 60 72.472 1.307 9.707 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.239 -1.379 9.126 1.00 1.22 H new ATOM 0 HB3 MET A 60 70.959 -0.759 8.102 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.894 0.101 8.074 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.050 -0.776 6.813 1.00 1.62 H new ATOM 0 HE1 MET A 60 73.986 2.867 5.633 1.00 2.02 H new ATOM 0 HE2 MET A 60 74.419 2.740 7.354 1.00 2.02 H new ATOM 0 HE3 MET A 60 74.716 1.370 6.259 1.00 2.02 H new ATOM 916 N ILE A 61 69.234 0.958 9.310 1.00 1.04 N ATOM 917 CA ILE A 61 68.028 1.737 8.904 1.00 1.11 C ATOM 918 C ILE A 61 67.627 2.702 10.024 1.00 1.23 C ATOM 919 O ILE A 61 67.411 3.875 9.797 1.00 1.40 O ATOM 920 CB ILE A 61 66.940 0.688 8.669 1.00 1.13 C ATOM 921 CG1 ILE A 61 67.122 0.075 7.279 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.558 1.342 8.752 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.420 -1.418 7.414 1.00 1.14 C ATOM 0 H ILE A 61 69.045 0.026 9.679 1.00 1.04 H new ATOM 0 HA ILE A 61 68.201 2.342 8.014 1.00 1.11 H new ATOM 0 HB ILE A 61 67.019 -0.087 9.431 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.221 0.224 6.684 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.937 0.573 6.754 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.788 0.589 8.584 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.423 1.784 9.739 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.477 2.119 7.992 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.550 -1.854 6.424 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.333 -1.556 7.993 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.590 -1.910 7.921 1.00 1.14 H new ATOM 935 N ASP A 62 67.528 2.214 11.230 1.00 1.23 N ATOM 936 CA ASP A 62 67.144 3.104 12.363 1.00 1.43 C ATOM 937 C ASP A 62 67.913 4.424 12.276 1.00 1.48 C ATOM 938 O ASP A 62 67.425 5.466 12.665 1.00 1.67 O ATOM 939 CB ASP A 62 67.539 2.335 13.624 1.00 1.51 C ATOM 940 CG ASP A 62 66.487 1.266 13.922 1.00 1.54 C ATOM 941 OD1 ASP A 62 65.623 1.063 13.086 1.00 2.13 O ATOM 942 OD2 ASP A 62 66.565 0.666 14.981 1.00 1.79 O ATOM 0 H ASP A 62 67.696 1.239 11.480 1.00 1.23 H new ATOM 0 HA ASP A 62 66.082 3.351 12.355 1.00 1.43 H new ATOM 0 HB2 ASP A 62 68.516 1.871 13.488 1.00 1.51 H new ATOM 0 HB3 ASP A 62 67.626 3.020 14.468 1.00 1.51 H new ATOM 947 N GLU A 63 69.115 4.386 11.768 1.00 1.41 N ATOM 948 CA GLU A 63 69.918 5.636 11.655 1.00 1.52 C ATOM 949 C GLU A 63 69.437 6.469 10.464 1.00 1.47 C ATOM 950 O GLU A 63 69.083 7.623 10.605 1.00 1.80 O ATOM 951 CB GLU A 63 71.354 5.162 11.433 1.00 1.55 C ATOM 952 CG GLU A 63 72.052 5.003 12.786 1.00 2.11 C ATOM 953 CD GLU A 63 73.130 3.922 12.680 1.00 2.26 C ATOM 954 OE1 GLU A 63 73.726 3.810 11.621 1.00 2.32 O ATOM 955 OE2 GLU A 63 73.340 3.225 13.658 1.00 2.93 O ATOM 0 H GLU A 63 69.575 3.542 11.426 1.00 1.41 H new ATOM 0 HA GLU A 63 69.828 6.267 12.539 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.357 4.213 10.896 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.894 5.879 10.815 1.00 1.55 H new ATOM 0 HG2 GLU A 63 72.500 5.949 13.090 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.326 4.733 13.553 1.00 2.11 H new ATOM 962 N VAL A 64 69.421 5.895 9.294 1.00 1.33 N ATOM 963 CA VAL A 64 68.965 6.657 8.097 1.00 1.29 C ATOM 964 C VAL A 64 67.453 6.893 8.164 1.00 1.21 C ATOM 965 O VAL A 64 66.950 7.897 7.700 1.00 1.50 O ATOM 966 CB VAL A 64 69.316 5.768 6.903 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.744 5.239 7.063 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.343 4.589 6.838 1.00 1.31 C ATOM 0 H VAL A 64 69.704 4.932 9.114 1.00 1.33 H new ATOM 0 HA VAL A 64 69.437 7.637 8.028 1.00 1.29 H new ATOM 0 HB VAL A 64 69.243 6.351 5.985 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.995 4.605 6.212 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.439 6.077 7.109 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.816 4.658 7.982 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.594 3.956 5.987 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.415 4.007 7.757 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.325 4.963 6.724 1.00 1.31 H new ATOM 978 N ASP A 65 66.726 5.974 8.738 1.00 1.27 N ATOM 979 CA ASP A 65 65.248 6.143 8.835 1.00 1.38 C ATOM 980 C ASP A 65 64.905 7.265 9.818 1.00 2.07 C ATOM 981 O ASP A 65 65.475 7.364 10.886 1.00 2.61 O ATOM 982 CB ASP A 65 64.729 4.801 9.349 1.00 1.38 C ATOM 983 CG ASP A 65 63.350 4.519 8.749 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.836 5.389 8.065 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.832 3.440 8.985 1.00 2.59 O ATOM 0 H ASP A 65 67.092 5.113 9.144 1.00 1.27 H new ATOM 0 HA ASP A 65 64.800 6.414 7.879 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.423 4.005 9.081 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.667 4.816 10.437 1.00 1.38 H new ATOM 990 N GLU A 66 63.974 8.111 9.466 1.00 2.65 N ATOM 991 CA GLU A 66 63.594 9.224 10.377 1.00 3.74 C ATOM 992 C GLU A 66 62.308 8.855 11.133 1.00 4.00 C ATOM 993 O GLU A 66 61.957 9.474 12.118 1.00 4.93 O ATOM 994 CB GLU A 66 63.389 10.427 9.440 1.00 4.58 C ATOM 995 CG GLU A 66 62.183 11.261 9.882 1.00 5.25 C ATOM 996 CD GLU A 66 62.357 12.706 9.408 1.00 6.17 C ATOM 997 OE1 GLU A 66 63.401 13.277 9.680 1.00 6.67 O ATOM 998 OE2 GLU A 66 61.443 13.217 8.782 1.00 6.61 O ATOM 0 H GLU A 66 63.461 8.077 8.585 1.00 2.65 H new ATOM 0 HA GLU A 66 64.342 9.440 11.140 1.00 3.74 H new ATOM 0 HB2 GLU A 66 64.285 11.048 9.437 1.00 4.58 H new ATOM 0 HB3 GLU A 66 63.240 10.077 8.419 1.00 4.58 H new ATOM 0 HG2 GLU A 66 61.266 10.840 9.469 1.00 5.25 H new ATOM 0 HG3 GLU A 66 62.087 11.233 10.967 1.00 5.25 H new ATOM 1005 N ASP A 67 61.608 7.852 10.678 1.00 3.32 N ATOM 1006 CA ASP A 67 60.349 7.446 11.369 1.00 3.69 C ATOM 1007 C ASP A 67 60.597 6.211 12.241 1.00 3.25 C ATOM 1008 O ASP A 67 59.698 5.696 12.875 1.00 3.49 O ATOM 1009 CB ASP A 67 59.367 7.121 10.243 1.00 3.68 C ATOM 1010 CG ASP A 67 59.945 6.010 9.365 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.888 5.370 9.799 1.00 3.83 O ATOM 1012 OD2 ASP A 67 59.435 5.819 8.274 1.00 2.33 O ATOM 0 H ASP A 67 61.852 7.296 9.859 1.00 3.32 H new ATOM 0 HA ASP A 67 59.969 8.227 12.028 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.410 6.808 10.660 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.178 8.011 9.643 1.00 3.68 H new ATOM 1017 N GLY A 68 61.812 5.734 12.278 1.00 2.98 N ATOM 1018 CA GLY A 68 62.118 4.534 13.110 1.00 3.17 C ATOM 1019 C GLY A 68 61.114 3.422 12.799 1.00 2.42 C ATOM 1020 O GLY A 68 60.293 3.067 13.621 1.00 3.05 O ATOM 0 H GLY A 68 62.606 6.123 11.769 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.132 4.189 12.908 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.074 4.792 14.168 1.00 3.17 H new ATOM 1024 N SER A 69 61.172 2.869 11.618 1.00 1.46 N ATOM 1025 CA SER A 69 60.217 1.781 11.258 1.00 1.52 C ATOM 1026 C SER A 69 60.975 0.541 10.770 1.00 1.64 C ATOM 1027 O SER A 69 60.453 -0.556 10.775 1.00 2.49 O ATOM 1028 CB SER A 69 59.364 2.362 10.131 1.00 2.44 C ATOM 1029 OG SER A 69 60.188 3.134 9.267 1.00 2.71 O ATOM 0 H SER A 69 61.838 3.122 10.888 1.00 1.46 H new ATOM 0 HA SER A 69 59.614 1.466 12.110 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.884 1.559 9.572 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.569 2.983 10.544 1.00 2.44 H new ATOM 0 HG SER A 69 60.549 3.901 9.759 1.00 2.71 H new ATOM 1035 N GLY A 70 62.199 0.704 10.346 1.00 1.28 N ATOM 1036 CA GLY A 70 62.978 -0.469 9.858 1.00 1.43 C ATOM 1037 C GLY A 70 62.523 -0.830 8.442 1.00 1.29 C ATOM 1038 O GLY A 70 63.028 -1.754 7.835 1.00 1.59 O ATOM 0 H GLY A 70 62.692 1.597 10.317 1.00 1.28 H new ATOM 0 HA2 GLY A 70 64.043 -0.239 9.862 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.833 -1.318 10.526 1.00 1.43 H new ATOM 1042 N THR A 71 61.572 -0.110 7.910 1.00 0.89 N ATOM 1043 CA THR A 71 61.085 -0.414 6.534 1.00 0.79 C ATOM 1044 C THR A 71 61.662 0.591 5.533 1.00 0.76 C ATOM 1045 O THR A 71 61.753 1.772 5.807 1.00 0.83 O ATOM 1046 CB THR A 71 59.564 -0.280 6.613 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.225 1.063 6.926 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.025 -1.211 7.699 1.00 1.08 C ATOM 0 H THR A 71 61.111 0.676 8.369 1.00 0.89 H new ATOM 0 HA THR A 71 61.390 -1.405 6.198 1.00 0.79 H new ATOM 0 HB THR A 71 59.124 -0.552 5.654 1.00 0.84 H new ATOM 0 HG1 THR A 71 58.250 1.151 6.976 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.941 -1.115 7.755 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.286 -2.241 7.458 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.463 -0.941 8.660 1.00 1.08 H new ATOM 1056 N VAL A 72 62.049 0.132 4.376 1.00 0.73 N ATOM 1057 CA VAL A 72 62.617 1.061 3.357 1.00 0.77 C ATOM 1058 C VAL A 72 61.874 0.899 2.027 1.00 0.80 C ATOM 1059 O VAL A 72 61.906 -0.148 1.411 1.00 1.00 O ATOM 1060 CB VAL A 72 64.081 0.643 3.214 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.660 1.234 1.928 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.879 1.163 4.414 1.00 1.13 C ATOM 0 H VAL A 72 61.997 -0.846 4.091 1.00 0.73 H new ATOM 0 HA VAL A 72 62.521 2.107 3.648 1.00 0.77 H new ATOM 0 HB VAL A 72 64.144 -0.444 3.175 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.703 0.935 1.828 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.094 0.867 1.072 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.596 2.321 1.966 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.923 0.866 4.313 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.813 2.250 4.451 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.469 0.743 5.333 1.00 1.13 H new ATOM 1072 N ASP A 73 61.202 1.925 1.583 1.00 0.77 N ATOM 1073 CA ASP A 73 60.454 1.827 0.296 1.00 0.83 C ATOM 1074 C ASP A 73 61.326 2.314 -0.865 1.00 0.87 C ATOM 1075 O ASP A 73 62.498 2.587 -0.703 1.00 0.87 O ATOM 1076 CB ASP A 73 59.240 2.740 0.474 1.00 0.85 C ATOM 1077 CG ASP A 73 58.129 2.308 -0.483 1.00 1.80 C ATOM 1078 OD1 ASP A 73 58.325 1.329 -1.184 1.00 2.57 O ATOM 1079 OD2 ASP A 73 57.100 2.963 -0.499 1.00 2.47 O ATOM 0 H ASP A 73 61.138 2.827 2.055 1.00 0.77 H new ATOM 0 HA ASP A 73 60.164 0.802 0.065 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.885 2.694 1.504 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.519 3.775 0.279 1.00 0.85 H new ATOM 1084 N PHE A 74 60.760 2.424 -2.036 1.00 0.94 N ATOM 1085 CA PHE A 74 61.551 2.892 -3.211 1.00 0.98 C ATOM 1086 C PHE A 74 62.411 4.101 -2.828 1.00 0.86 C ATOM 1087 O PHE A 74 63.485 4.303 -3.358 1.00 0.83 O ATOM 1088 CB PHE A 74 60.508 3.287 -4.258 1.00 1.12 C ATOM 1089 CG PHE A 74 61.193 3.943 -5.432 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.497 3.569 -5.782 1.00 2.22 C ATOM 1091 CD2 PHE A 74 60.526 4.928 -6.170 1.00 1.97 C ATOM 1092 CE1 PHE A 74 63.132 4.179 -6.871 1.00 3.01 C ATOM 1093 CE2 PHE A 74 61.161 5.537 -7.259 1.00 2.84 C ATOM 1094 CZ PHE A 74 62.464 5.162 -7.609 1.00 3.18 C ATOM 0 H PHE A 74 59.782 2.210 -2.231 1.00 0.94 H new ATOM 0 HA PHE A 74 62.232 2.125 -3.580 1.00 0.98 H new ATOM 0 HB2 PHE A 74 59.959 2.406 -4.590 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.780 3.970 -3.821 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.013 2.810 -5.212 1.00 2.22 H new ATOM 0 HD2 PHE A 74 59.522 5.218 -5.899 1.00 1.97 H new ATOM 0 HE1 PHE A 74 64.137 3.891 -7.141 1.00 3.01 H new ATOM 0 HE2 PHE A 74 60.646 6.296 -7.829 1.00 2.84 H new ATOM 0 HZ PHE A 74 62.954 5.632 -8.449 1.00 3.18 H new ATOM 1104 N ASP A 75 61.945 4.906 -1.913 1.00 0.83 N ATOM 1105 CA ASP A 75 62.737 6.102 -1.500 1.00 0.76 C ATOM 1106 C ASP A 75 63.817 5.703 -0.492 1.00 0.69 C ATOM 1107 O ASP A 75 64.994 5.708 -0.793 1.00 0.65 O ATOM 1108 CB ASP A 75 61.720 7.042 -0.851 1.00 0.81 C ATOM 1109 CG ASP A 75 61.410 8.196 -1.807 1.00 0.99 C ATOM 1110 OD1 ASP A 75 60.541 8.027 -2.646 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.046 9.230 -1.682 1.00 1.57 O ATOM 0 H ASP A 75 61.052 4.789 -1.434 1.00 0.83 H new ATOM 0 HA ASP A 75 63.248 6.569 -2.342 1.00 0.76 H new ATOM 0 HB2 ASP A 75 60.806 6.498 -0.612 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.115 7.430 0.088 1.00 0.81 H new ATOM 1116 N GLU A 76 63.426 5.358 0.704 1.00 0.77 N ATOM 1117 CA GLU A 76 64.429 4.960 1.733 1.00 0.78 C ATOM 1118 C GLU A 76 65.425 3.959 1.142 1.00 0.70 C ATOM 1119 O GLU A 76 66.530 3.811 1.625 1.00 0.70 O ATOM 1120 CB GLU A 76 63.615 4.305 2.850 1.00 0.95 C ATOM 1121 CG GLU A 76 62.465 5.228 3.255 1.00 1.51 C ATOM 1122 CD GLU A 76 62.034 4.908 4.687 1.00 1.45 C ATOM 1123 OE1 GLU A 76 62.710 4.119 5.325 1.00 1.72 O ATOM 1124 OE2 GLU A 76 61.035 5.459 5.121 1.00 1.94 O ATOM 0 H GLU A 76 62.454 5.334 1.014 1.00 0.77 H new ATOM 0 HA GLU A 76 65.007 5.811 2.094 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.223 3.345 2.513 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.254 4.105 3.710 1.00 0.95 H new ATOM 0 HG2 GLU A 76 62.778 6.270 3.182 1.00 1.51 H new ATOM 0 HG3 GLU A 76 61.624 5.099 2.573 1.00 1.51 H new ATOM 1131 N PHE A 77 65.043 3.268 0.102 1.00 0.72 N ATOM 1132 CA PHE A 77 65.969 2.277 -0.515 1.00 0.73 C ATOM 1133 C PHE A 77 67.184 2.989 -1.116 1.00 0.67 C ATOM 1134 O PHE A 77 68.297 2.825 -0.659 1.00 0.69 O ATOM 1135 CB PHE A 77 65.146 1.593 -1.608 1.00 0.84 C ATOM 1136 CG PHE A 77 65.925 0.434 -2.184 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.727 -0.359 -1.353 1.00 1.32 C ATOM 1138 CD2 PHE A 77 65.843 0.151 -3.553 1.00 1.83 C ATOM 1139 CE1 PHE A 77 67.447 -1.432 -1.892 1.00 1.48 C ATOM 1140 CE2 PHE A 77 66.563 -0.923 -4.090 1.00 2.03 C ATOM 1141 CZ PHE A 77 67.365 -1.714 -3.260 1.00 1.46 C ATOM 0 H PHE A 77 64.130 3.347 -0.346 1.00 0.72 H new ATOM 0 HA PHE A 77 66.353 1.561 0.212 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.201 1.239 -1.197 1.00 0.84 H new ATOM 0 HB3 PHE A 77 64.904 2.307 -2.395 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.790 -0.143 -0.297 1.00 1.32 H new ATOM 0 HD2 PHE A 77 65.224 0.761 -4.195 1.00 1.83 H new ATOM 0 HE1 PHE A 77 68.066 -2.042 -1.251 1.00 1.48 H new ATOM 0 HE2 PHE A 77 66.499 -1.141 -5.146 1.00 2.03 H new ATOM 0 HZ PHE A 77 67.921 -2.542 -3.675 1.00 1.46 H new ATOM 1151 N LEU A 78 66.983 3.779 -2.136 1.00 0.66 N ATOM 1152 CA LEU A 78 68.134 4.497 -2.757 1.00 0.68 C ATOM 1153 C LEU A 78 68.868 5.322 -1.698 1.00 0.62 C ATOM 1154 O LEU A 78 70.035 5.631 -1.838 1.00 0.64 O ATOM 1155 CB LEU A 78 67.513 5.406 -3.818 1.00 0.77 C ATOM 1156 CG LEU A 78 66.700 4.565 -4.809 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.392 5.399 -6.052 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.506 3.327 -5.215 1.00 1.41 C ATOM 0 H LEU A 78 66.075 3.958 -2.565 1.00 0.66 H new ATOM 0 HA LEU A 78 68.864 3.814 -3.191 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.871 6.148 -3.344 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.295 5.952 -4.346 1.00 0.77 H new ATOM 0 HG LEU A 78 65.768 4.253 -4.338 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.814 4.802 -6.757 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.817 6.280 -5.766 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.325 5.711 -6.521 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.926 2.730 -5.919 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.439 3.638 -5.685 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.727 2.730 -4.330 1.00 1.41 H new ATOM 1170 N VAL A 79 68.198 5.673 -0.637 1.00 0.59 N ATOM 1171 CA VAL A 79 68.862 6.469 0.432 1.00 0.61 C ATOM 1172 C VAL A 79 69.694 5.544 1.323 1.00 0.63 C ATOM 1173 O VAL A 79 70.621 5.969 1.983 1.00 0.68 O ATOM 1174 CB VAL A 79 67.722 7.103 1.226 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.299 7.960 2.354 1.00 0.73 C ATOM 1176 CG2 VAL A 79 66.885 7.984 0.297 1.00 0.70 C ATOM 0 H VAL A 79 67.219 5.443 -0.464 1.00 0.59 H new ATOM 0 HA VAL A 79 69.539 7.224 0.031 1.00 0.61 H new ATOM 0 HB VAL A 79 67.095 6.319 1.650 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.485 8.412 2.920 1.00 0.73 H new ATOM 0 HG12 VAL A 79 68.898 7.335 3.016 1.00 0.73 H new ATOM 0 HG13 VAL A 79 68.926 8.745 1.931 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.071 8.438 0.862 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.514 8.768 -0.126 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.473 7.376 -0.508 1.00 0.70 H new ATOM 1186 N MET A 80 69.369 4.280 1.345 1.00 0.65 N ATOM 1187 CA MET A 80 70.139 3.324 2.191 1.00 0.72 C ATOM 1188 C MET A 80 71.520 3.073 1.582 1.00 0.71 C ATOM 1189 O MET A 80 72.380 2.474 2.196 1.00 0.76 O ATOM 1190 CB MET A 80 69.310 2.040 2.195 1.00 0.80 C ATOM 1191 CG MET A 80 68.449 1.993 3.458 1.00 1.12 C ATOM 1192 SD MET A 80 69.398 1.255 4.810 1.00 2.17 S ATOM 1193 CE MET A 80 69.615 -0.383 4.070 1.00 2.77 C ATOM 0 H MET A 80 68.603 3.868 0.813 1.00 0.65 H new ATOM 0 HA MET A 80 70.303 3.704 3.199 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.677 2.001 1.309 1.00 0.80 H new ATOM 0 HB3 MET A 80 69.966 1.171 2.157 1.00 0.80 H new ATOM 0 HG2 MET A 80 68.130 2.999 3.731 1.00 1.12 H new ATOM 0 HG3 MET A 80 67.546 1.411 3.274 1.00 1.12 H new ATOM 0 HE1 MET A 80 69.090 -1.126 4.671 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.209 -0.382 3.058 1.00 2.77 H new ATOM 0 HE3 MET A 80 70.676 -0.629 4.035 1.00 2.77 H new ATOM 1203 N MET A 81 71.746 3.537 0.383 1.00 0.69 N ATOM 1204 CA MET A 81 73.084 3.332 -0.252 1.00 0.74 C ATOM 1205 C MET A 81 73.867 4.645 -0.224 1.00 0.75 C ATOM 1206 O MET A 81 75.081 4.654 -0.180 1.00 0.82 O ATOM 1207 CB MET A 81 72.852 2.875 -1.711 1.00 0.73 C ATOM 1208 CG MET A 81 71.359 2.767 -2.055 1.00 0.89 C ATOM 1209 SD MET A 81 70.609 1.423 -1.099 1.00 1.41 S ATOM 1210 CE MET A 81 71.809 0.140 -1.533 1.00 1.21 C ATOM 0 H MET A 81 71.068 4.047 -0.183 1.00 0.69 H new ATOM 0 HA MET A 81 73.658 2.578 0.287 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.330 3.580 -2.391 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.330 1.908 -1.867 1.00 0.73 H new ATOM 0 HG2 MET A 81 70.856 3.708 -1.834 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.234 2.581 -3.122 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.319 -0.834 -1.527 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.210 0.338 -2.527 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.622 0.141 -0.807 1.00 1.21 H new ATOM 1220 N VAL A 82 73.183 5.757 -0.240 1.00 0.72 N ATOM 1221 CA VAL A 82 73.895 7.065 -0.204 1.00 0.78 C ATOM 1222 C VAL A 82 74.717 7.167 1.082 1.00 0.81 C ATOM 1223 O VAL A 82 75.768 7.777 1.114 1.00 0.93 O ATOM 1224 CB VAL A 82 72.792 8.122 -0.223 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.419 9.515 -0.188 1.00 1.08 C ATOM 1226 CG2 VAL A 82 71.963 7.968 -1.501 1.00 1.36 C ATOM 0 H VAL A 82 72.165 5.816 -0.276 1.00 0.72 H new ATOM 0 HA VAL A 82 74.584 7.189 -1.040 1.00 0.78 H new ATOM 0 HB VAL A 82 72.149 7.992 0.647 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.632 10.269 -0.202 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.011 9.625 0.721 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.062 9.646 -1.058 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.175 8.721 -1.517 1.00 1.36 H new ATOM 0 HG22 VAL A 82 72.607 8.098 -2.371 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.515 6.974 -1.527 1.00 1.36 H new ATOM 1236 N ARG A 83 74.248 6.567 2.141 1.00 0.79 N ATOM 1237 CA ARG A 83 75.000 6.619 3.426 1.00 0.85 C ATOM 1238 C ARG A 83 75.988 5.452 3.497 1.00 0.90 C ATOM 1239 O ARG A 83 76.972 5.499 4.208 1.00 1.00 O ATOM 1240 CB ARG A 83 73.936 6.487 4.515 1.00 0.87 C ATOM 1241 CG ARG A 83 73.647 7.864 5.118 1.00 1.07 C ATOM 1242 CD ARG A 83 72.966 7.692 6.478 1.00 0.92 C ATOM 1243 NE ARG A 83 73.906 8.304 7.457 1.00 1.62 N ATOM 1244 CZ ARG A 83 73.612 8.305 8.728 1.00 1.83 C ATOM 1245 NH1 ARG A 83 72.380 8.119 9.114 1.00 2.49 N ATOM 1246 NH2 ARG A 83 74.552 8.492 9.614 1.00 2.14 N ATOM 0 H ARG A 83 73.374 6.042 2.172 1.00 0.79 H new ATOM 0 HA ARG A 83 75.577 7.537 3.534 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.023 6.063 4.097 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.278 5.803 5.292 1.00 0.87 H new ATOM 0 HG2 ARG A 83 74.575 8.425 5.232 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.007 8.439 4.449 1.00 1.07 H new ATOM 0 HD2 ARG A 83 71.995 8.188 6.499 1.00 0.92 H new ATOM 0 HD3 ARG A 83 72.792 6.640 6.702 1.00 0.92 H new ATOM 0 HE ARG A 83 74.779 8.722 7.134 1.00 1.62 H new ATOM 0 HH11 ARG A 83 71.645 7.973 8.422 1.00 2.49 H new ATOM 0 HH12 ARG A 83 72.151 8.120 10.108 1.00 2.49 H new ATOM 0 HH21 ARG A 83 75.516 8.637 9.312 1.00 2.14 H new ATOM 0 HH22 ARG A 83 74.323 8.493 10.608 1.00 2.14 H new ATOM 1260 N SER A 84 75.731 4.405 2.761 1.00 0.92 N ATOM 1261 CA SER A 84 76.653 3.233 2.780 1.00 1.01 C ATOM 1262 C SER A 84 77.642 3.322 1.614 1.00 1.06 C ATOM 1263 O SER A 84 78.360 2.386 1.323 1.00 1.38 O ATOM 1264 CB SER A 84 75.748 2.013 2.621 1.00 1.04 C ATOM 1265 OG SER A 84 75.655 1.332 3.865 1.00 1.52 O ATOM 0 H SER A 84 74.922 4.310 2.147 1.00 0.92 H new ATOM 0 HA SER A 84 77.242 3.186 3.696 1.00 1.01 H new ATOM 0 HB2 SER A 84 74.757 2.322 2.287 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.148 1.346 1.857 1.00 1.04 H new ATOM 0 HG SER A 84 75.073 0.549 3.767 1.00 1.52 H new ATOM 1271 N MET A 85 77.685 4.441 0.945 1.00 0.00 N ATOM 1272 CA MET A 85 78.627 4.590 -0.202 1.00 0.00 C ATOM 1273 C MET A 85 79.746 5.569 0.161 1.00 0.00 C ATOM 1274 O MET A 85 80.876 5.421 -0.263 1.00 0.00 O ATOM 1275 CB MET A 85 77.777 5.149 -1.343 1.00 0.00 C ATOM 1276 CG MET A 85 77.259 4.000 -2.210 1.00 0.00 C ATOM 1277 SD MET A 85 76.721 4.650 -3.811 1.00 0.00 S ATOM 1278 CE MET A 85 76.464 3.057 -4.631 1.00 0.00 C ATOM 0 H MET A 85 77.109 5.259 1.142 1.00 0.00 H new ATOM 0 HA MET A 85 79.102 3.647 -0.472 1.00 0.00 H new ATOM 0 HB2 MET A 85 76.940 5.720 -0.940 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.369 5.836 -1.948 1.00 0.00 H new ATOM 0 HG2 MET A 85 78.042 3.255 -2.352 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.429 3.499 -1.711 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.123 3.225 -5.653 1.00 0.00 H new ATOM 0 HE2 MET A 85 77.401 2.501 -4.648 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.713 2.485 -4.087 1.00 0.00 H new