USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 141 HIS HD1 : A 141 HIS ND1 : A 191 ZNZN :(H bumps) USER MOD Set 1.1: A 158 ASN : amide:sc= 1.05 K(o=-3.2,f=-5.5) USER MOD Set 1.2: A 169 LYS NZ :NH3+ -135:sc= -4.24! (180deg=-4.01!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -165:sc= -0.0134 (180deg=-0.24) USER MOD Single : A 126 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 147:sc= -0.975 (180deg=-2.78!) USER MOD Single : A 134 MET CE :methyl 164:sc= -0.0217 (180deg=-0.313) USER MOD Single : A 138 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00818) USER MOD Single : A 142 LYS NZ :NH3+ -178:sc= 0.96 (180deg=0.893) USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0738 USER MOD Single : A 152 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0.786) USER MOD Single : A 153 SER OG : rot -91:sc= 0.0601 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 160 THR OG1 : rot 75:sc= 0.172 USER MOD Single : A 162 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00999) USER MOD Single : A 167 TYR OH : rot 180:sc= -0.555 USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 ASN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.516 2.866 0.205 1.00 0.89 N ATOM 2 CA LYS A 119 13.825 1.728 -0.639 1.00 0.80 C ATOM 3 C LYS A 119 12.938 0.534 -0.311 1.00 0.78 C ATOM 4 O LYS A 119 12.454 0.402 0.815 1.00 0.90 O ATOM 5 CB LYS A 119 15.296 1.338 -0.505 1.00 0.93 C ATOM 6 CG LYS A 119 15.748 0.994 0.900 1.00 1.51 C ATOM 7 CD LYS A 119 17.180 0.492 0.878 1.00 1.54 C ATOM 8 CE LYS A 119 17.757 0.322 2.274 1.00 2.16 C ATOM 9 NZ LYS A 119 19.145 -0.209 2.227 1.00 2.76 N ATOM 0 HA LYS A 119 13.630 2.024 -1.670 1.00 0.80 H new ATOM 0 HB2 LYS A 119 15.488 0.481 -1.151 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.908 2.160 -0.875 1.00 0.93 H new ATOM 0 HG2 LYS A 119 15.672 1.873 1.540 1.00 1.51 H new ATOM 0 HG3 LYS A 119 15.094 0.233 1.325 1.00 1.51 H new ATOM 0 HD2 LYS A 119 17.219 -0.462 0.353 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.798 1.191 0.315 1.00 1.54 H new ATOM 0 HE2 LYS A 119 17.750 1.281 2.791 1.00 2.16 H new ATOM 0 HE3 LYS A 119 17.126 -0.355 2.850 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 19.510 -0.313 3.195 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 19.146 -1.136 1.755 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 19.751 0.450 1.698 1.00 2.76 H new ATOM 23 N CYS A 120 12.731 -0.317 -1.312 1.00 0.70 N ATOM 24 CA CYS A 120 12.014 -1.570 -1.135 1.00 0.72 C ATOM 25 C CYS A 120 12.853 -2.510 -0.274 1.00 0.76 C ATOM 26 O CYS A 120 13.911 -2.973 -0.706 1.00 0.80 O ATOM 27 CB CYS A 120 11.729 -2.203 -2.508 1.00 0.67 C ATOM 28 SG CYS A 120 10.865 -3.815 -2.461 1.00 0.74 S ATOM 0 H CYS A 120 13.056 -0.155 -2.265 1.00 0.70 H new ATOM 0 HA CYS A 120 11.063 -1.386 -0.636 1.00 0.72 H new ATOM 0 HB2 CYS A 120 11.131 -1.506 -3.094 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.675 -2.332 -3.034 1.00 0.67 H new ATOM 33 N PRO A 121 12.397 -2.791 0.957 1.00 0.79 N ATOM 34 CA PRO A 121 13.142 -3.604 1.922 1.00 0.87 C ATOM 35 C PRO A 121 13.097 -5.089 1.584 1.00 0.90 C ATOM 36 O PRO A 121 13.711 -5.914 2.263 1.00 1.00 O ATOM 37 CB PRO A 121 12.424 -3.339 3.258 1.00 0.96 C ATOM 38 CG PRO A 121 11.418 -2.267 2.982 1.00 1.00 C ATOM 39 CD PRO A 121 11.120 -2.344 1.514 1.00 0.82 C ATOM 0 HA PRO A 121 14.200 -3.343 1.935 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.939 -4.243 3.626 1.00 0.96 H new ATOM 0 HB3 PRO A 121 13.131 -3.022 4.024 1.00 0.96 H new ATOM 0 HG2 PRO A 121 10.514 -2.420 3.572 1.00 1.00 H new ATOM 0 HG3 PRO A 121 11.811 -1.286 3.249 1.00 1.00 H new ATOM 0 HD2 PRO A 121 10.315 -3.047 1.299 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.816 -1.378 1.110 1.00 0.82 H new ATOM 47 N ARG A 122 12.374 -5.428 0.529 1.00 0.86 N ATOM 48 CA ARG A 122 12.248 -6.812 0.102 1.00 0.94 C ATOM 49 C ARG A 122 13.329 -7.148 -0.913 1.00 0.90 C ATOM 50 O ARG A 122 13.766 -8.293 -1.018 1.00 1.05 O ATOM 51 CB ARG A 122 10.856 -7.055 -0.490 1.00 0.98 C ATOM 52 CG ARG A 122 9.742 -6.813 0.512 1.00 0.97 C ATOM 53 CD ARG A 122 9.768 -7.842 1.629 1.00 1.11 C ATOM 54 NE ARG A 122 9.042 -7.390 2.814 1.00 1.54 N ATOM 55 CZ ARG A 122 7.844 -7.849 3.182 1.00 1.95 C ATOM 56 NH1 ARG A 122 7.182 -8.690 2.400 1.00 2.03 N ATOM 57 NH2 ARG A 122 7.301 -7.452 4.325 1.00 2.82 N ATOM 0 H ARG A 122 11.864 -4.761 -0.049 1.00 0.86 H new ATOM 0 HA ARG A 122 12.374 -7.463 0.967 1.00 0.94 H new ATOM 0 HB2 ARG A 122 10.713 -6.402 -1.351 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.795 -8.080 -0.854 1.00 0.98 H new ATOM 0 HG2 ARG A 122 9.841 -5.813 0.934 1.00 0.97 H new ATOM 0 HG3 ARG A 122 8.779 -6.850 0.003 1.00 0.97 H new ATOM 0 HD2 ARG A 122 9.331 -8.775 1.272 1.00 1.11 H new ATOM 0 HD3 ARG A 122 10.802 -8.057 1.899 1.00 1.11 H new ATOM 0 HE ARG A 122 9.479 -6.677 3.398 1.00 1.54 H new ATOM 0 HH11 ARG A 122 7.588 -8.989 1.513 1.00 2.03 H new ATOM 0 HH12 ARG A 122 6.267 -9.038 2.685 1.00 2.03 H new ATOM 0 HH21 ARG A 122 7.799 -6.794 4.925 1.00 2.82 H new ATOM 0 HH22 ARG A 122 6.385 -7.804 4.604 1.00 2.82 H new ATOM 71 N CYS A 123 13.770 -6.135 -1.641 1.00 0.76 N ATOM 72 CA CYS A 123 14.795 -6.321 -2.652 1.00 0.78 C ATOM 73 C CYS A 123 16.061 -5.540 -2.302 1.00 0.76 C ATOM 74 O CYS A 123 17.117 -5.740 -2.900 1.00 0.86 O ATOM 75 CB CYS A 123 14.253 -5.873 -4.003 1.00 0.77 C ATOM 76 SG CYS A 123 12.611 -6.560 -4.383 1.00 0.88 S ATOM 0 H CYS A 123 13.434 -5.176 -1.550 1.00 0.76 H new ATOM 0 HA CYS A 123 15.059 -7.378 -2.696 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.197 -4.785 -4.022 1.00 0.77 H new ATOM 0 HB3 CYS A 123 14.953 -6.170 -4.784 1.00 0.77 H new ATOM 81 N GLY A 124 15.931 -4.648 -1.324 1.00 0.70 N ATOM 82 CA GLY A 124 17.048 -3.831 -0.900 1.00 0.73 C ATOM 83 C GLY A 124 17.442 -2.820 -1.957 1.00 0.71 C ATOM 84 O GLY A 124 18.622 -2.519 -2.130 1.00 0.85 O ATOM 0 H GLY A 124 15.063 -4.478 -0.816 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.788 -3.310 0.021 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.901 -4.471 -0.674 1.00 0.73 H new ATOM 88 N LYS A 125 16.450 -2.289 -2.655 1.00 0.61 N ATOM 89 CA LYS A 125 16.702 -1.394 -3.777 1.00 0.61 C ATOM 90 C LYS A 125 15.947 -0.085 -3.593 1.00 0.57 C ATOM 91 O LYS A 125 14.743 -0.088 -3.334 1.00 0.60 O ATOM 92 CB LYS A 125 16.287 -2.079 -5.085 1.00 0.63 C ATOM 93 CG LYS A 125 16.556 -1.258 -6.337 1.00 1.30 C ATOM 94 CD LYS A 125 18.037 -0.962 -6.509 1.00 1.71 C ATOM 95 CE LYS A 125 18.309 -0.215 -7.804 1.00 2.44 C ATOM 96 NZ LYS A 125 17.984 -1.039 -8.998 1.00 2.99 N ATOM 0 H LYS A 125 15.463 -2.461 -2.465 1.00 0.61 H new ATOM 0 HA LYS A 125 17.767 -1.166 -3.820 1.00 0.61 H new ATOM 0 HB2 LYS A 125 16.816 -3.029 -5.167 1.00 0.63 H new ATOM 0 HB3 LYS A 125 15.223 -2.310 -5.038 1.00 0.63 H new ATOM 0 HG2 LYS A 125 16.189 -1.796 -7.211 1.00 1.30 H new ATOM 0 HG3 LYS A 125 16.002 -0.321 -6.284 1.00 1.30 H new ATOM 0 HD2 LYS A 125 18.391 -0.370 -5.665 1.00 1.71 H new ATOM 0 HD3 LYS A 125 18.599 -1.896 -6.502 1.00 1.71 H new ATOM 0 HE2 LYS A 125 17.720 0.702 -7.825 1.00 2.44 H new ATOM 0 HE3 LYS A 125 19.358 0.079 -7.840 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 18.411 -0.609 -9.843 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 18.361 -2.000 -8.870 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 16.952 -1.085 -9.117 1.00 2.99 H new ATOM 110 N SER A 126 16.658 1.030 -3.721 1.00 0.66 N ATOM 111 CA SER A 126 16.064 2.345 -3.534 1.00 0.68 C ATOM 112 C SER A 126 15.141 2.707 -4.694 1.00 0.57 C ATOM 113 O SER A 126 15.480 2.508 -5.863 1.00 0.66 O ATOM 114 CB SER A 126 17.163 3.392 -3.362 1.00 0.89 C ATOM 115 OG SER A 126 18.202 3.198 -4.305 1.00 1.37 O ATOM 0 H SER A 126 17.651 1.047 -3.955 1.00 0.66 H new ATOM 0 HA SER A 126 15.455 2.323 -2.630 1.00 0.68 H new ATOM 0 HB2 SER A 126 16.741 4.390 -3.481 1.00 0.89 H new ATOM 0 HB3 SER A 126 17.569 3.336 -2.352 1.00 0.89 H new ATOM 0 HG SER A 126 18.893 3.881 -4.176 1.00 1.37 H new ATOM 121 N VAL A 127 13.976 3.242 -4.363 1.00 0.52 N ATOM 122 CA VAL A 127 12.963 3.556 -5.357 1.00 0.45 C ATOM 123 C VAL A 127 12.625 5.044 -5.305 1.00 0.58 C ATOM 124 O VAL A 127 12.560 5.630 -4.223 1.00 0.80 O ATOM 125 CB VAL A 127 11.682 2.728 -5.119 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.709 2.888 -6.274 1.00 0.63 C ATOM 127 CG2 VAL A 127 12.024 1.261 -4.900 1.00 0.71 C ATOM 0 H VAL A 127 13.708 3.469 -3.405 1.00 0.52 H new ATOM 0 HA VAL A 127 13.362 3.306 -6.340 1.00 0.45 H new ATOM 0 HB VAL A 127 11.198 3.105 -4.218 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.815 2.295 -6.082 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.433 3.938 -6.375 1.00 0.63 H new ATOM 0 HG13 VAL A 127 11.180 2.547 -7.196 1.00 0.63 H new ATOM 0 HG21 VAL A 127 11.108 0.695 -4.734 1.00 0.71 H new ATOM 0 HG22 VAL A 127 12.537 0.872 -5.779 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.673 1.165 -4.029 1.00 0.71 H new ATOM 137 N TYR A 128 12.413 5.657 -6.462 1.00 0.60 N ATOM 138 CA TYR A 128 12.118 7.079 -6.516 1.00 0.78 C ATOM 139 C TYR A 128 10.689 7.321 -7.028 1.00 0.58 C ATOM 140 O TYR A 128 9.923 6.378 -7.181 1.00 0.48 O ATOM 141 CB TYR A 128 13.165 7.813 -7.368 1.00 1.14 C ATOM 142 CG TYR A 128 13.123 9.317 -7.193 1.00 2.06 C ATOM 143 CD1 TYR A 128 12.939 9.873 -5.933 1.00 2.80 C ATOM 144 CD2 TYR A 128 13.231 10.174 -8.278 1.00 2.76 C ATOM 145 CE1 TYR A 128 12.865 11.237 -5.758 1.00 3.75 C ATOM 146 CE2 TYR A 128 13.164 11.545 -8.113 1.00 3.69 C ATOM 147 CZ TYR A 128 12.978 12.072 -6.851 1.00 4.06 C ATOM 148 OH TYR A 128 12.892 13.435 -6.682 1.00 5.08 O ATOM 0 H TYR A 128 12.440 5.193 -7.370 1.00 0.60 H new ATOM 0 HA TYR A 128 12.172 7.487 -5.506 1.00 0.78 H new ATOM 0 HB2 TYR A 128 14.159 7.450 -7.105 1.00 1.14 H new ATOM 0 HB3 TYR A 128 13.005 7.571 -8.419 1.00 1.14 H new ATOM 0 HD1 TYR A 128 12.852 9.223 -5.075 1.00 2.80 H new ATOM 0 HD2 TYR A 128 13.370 9.764 -9.267 1.00 2.76 H new ATOM 0 HE1 TYR A 128 12.719 11.651 -4.771 1.00 3.75 H new ATOM 0 HE2 TYR A 128 13.257 12.200 -8.967 1.00 3.69 H new ATOM 0 HH TYR A 128 12.993 13.879 -7.550 1.00 5.08 H new ATOM 158 N ALA A 129 10.354 8.590 -7.280 1.00 0.69 N ATOM 159 CA ALA A 129 8.982 9.038 -7.558 1.00 0.74 C ATOM 160 C ALA A 129 8.256 8.190 -8.598 1.00 0.75 C ATOM 161 O ALA A 129 7.114 7.792 -8.381 1.00 0.87 O ATOM 162 CB ALA A 129 8.990 10.491 -8.005 1.00 0.95 C ATOM 0 H ALA A 129 11.037 9.348 -7.297 1.00 0.69 H new ATOM 0 HA ALA A 129 8.432 8.925 -6.624 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.969 10.815 -8.209 1.00 0.95 H new ATOM 0 HB2 ALA A 129 9.417 11.112 -7.217 1.00 0.95 H new ATOM 0 HB3 ALA A 129 9.590 10.590 -8.910 1.00 0.95 H new ATOM 168 N ALA A 130 8.923 7.916 -9.716 1.00 0.80 N ATOM 169 CA ALA A 130 8.304 7.204 -10.834 1.00 1.00 C ATOM 170 C ALA A 130 7.699 5.874 -10.400 1.00 0.91 C ATOM 171 O ALA A 130 6.608 5.511 -10.836 1.00 1.16 O ATOM 172 CB ALA A 130 9.322 6.978 -11.937 1.00 1.21 C ATOM 0 H ALA A 130 9.896 8.177 -9.873 1.00 0.80 H new ATOM 0 HA ALA A 130 7.492 7.827 -11.209 1.00 1.00 H new ATOM 0 HB1 ALA A 130 8.851 6.447 -12.764 1.00 1.21 H new ATOM 0 HB2 ALA A 130 9.696 7.939 -12.289 1.00 1.21 H new ATOM 0 HB3 ALA A 130 10.151 6.385 -11.551 1.00 1.21 H new ATOM 178 N GLU A 131 8.393 5.161 -9.525 1.00 0.68 N ATOM 179 CA GLU A 131 7.941 3.852 -9.088 1.00 0.65 C ATOM 180 C GLU A 131 7.569 3.872 -7.607 1.00 0.46 C ATOM 181 O GLU A 131 7.332 2.825 -7.008 1.00 0.50 O ATOM 182 CB GLU A 131 9.037 2.812 -9.341 1.00 0.87 C ATOM 183 CG GLU A 131 9.441 2.691 -10.803 1.00 1.41 C ATOM 184 CD GLU A 131 8.411 1.964 -11.646 1.00 1.70 C ATOM 185 OE1 GLU A 131 7.373 2.571 -11.990 1.00 2.44 O ATOM 186 OE2 GLU A 131 8.642 0.780 -11.977 1.00 1.99 O ATOM 0 H GLU A 131 9.270 5.468 -9.105 1.00 0.68 H new ATOM 0 HA GLU A 131 7.052 3.585 -9.660 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.916 3.073 -8.751 1.00 0.87 H new ATOM 0 HB3 GLU A 131 8.692 1.840 -8.987 1.00 0.87 H new ATOM 0 HG2 GLU A 131 9.600 3.688 -11.214 1.00 1.41 H new ATOM 0 HG3 GLU A 131 10.393 2.164 -10.868 1.00 1.41 H new ATOM 193 N LYS A 132 7.499 5.064 -7.022 1.00 0.44 N ATOM 194 CA LYS A 132 7.251 5.190 -5.590 1.00 0.42 C ATOM 195 C LYS A 132 5.815 4.817 -5.233 1.00 0.44 C ATOM 196 O LYS A 132 4.871 5.568 -5.491 1.00 0.58 O ATOM 197 CB LYS A 132 7.569 6.613 -5.076 1.00 0.55 C ATOM 198 CG LYS A 132 7.077 6.868 -3.653 1.00 0.65 C ATOM 199 CD LYS A 132 7.377 8.280 -3.167 1.00 1.05 C ATOM 200 CE LYS A 132 8.802 8.426 -2.648 1.00 1.58 C ATOM 201 NZ LYS A 132 9.815 8.347 -3.731 1.00 2.18 N ATOM 0 H LYS A 132 7.610 5.951 -7.514 1.00 0.44 H new ATOM 0 HA LYS A 132 7.923 4.489 -5.096 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.647 6.773 -5.114 1.00 0.55 H new ATOM 0 HB3 LYS A 132 7.115 7.343 -5.746 1.00 0.55 H new ATOM 0 HG2 LYS A 132 6.002 6.695 -3.609 1.00 0.65 H new ATOM 0 HG3 LYS A 132 7.543 6.150 -2.978 1.00 0.65 H new ATOM 0 HD2 LYS A 132 7.217 8.984 -3.984 1.00 1.05 H new ATOM 0 HD3 LYS A 132 6.676 8.545 -2.375 1.00 1.05 H new ATOM 0 HE2 LYS A 132 8.901 9.381 -2.132 1.00 1.58 H new ATOM 0 HE3 LYS A 132 8.999 7.645 -1.914 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 10.621 8.961 -3.498 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 10.144 7.365 -3.828 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 9.390 8.659 -4.627 1.00 2.18 H new ATOM 215 N VAL A 133 5.665 3.637 -4.664 1.00 0.39 N ATOM 216 CA VAL A 133 4.413 3.214 -4.066 1.00 0.44 C ATOM 217 C VAL A 133 4.626 3.042 -2.568 1.00 0.44 C ATOM 218 O VAL A 133 5.318 2.127 -2.123 1.00 0.50 O ATOM 219 CB VAL A 133 3.892 1.916 -4.715 1.00 0.49 C ATOM 220 CG1 VAL A 133 3.307 2.213 -6.091 1.00 1.02 C ATOM 221 CG2 VAL A 133 5.003 0.887 -4.833 1.00 0.88 C ATOM 0 H VAL A 133 6.410 2.943 -4.603 1.00 0.39 H new ATOM 0 HA VAL A 133 3.651 3.974 -4.238 1.00 0.44 H new ATOM 0 HB VAL A 133 3.109 1.506 -4.076 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.943 1.288 -6.539 1.00 1.02 H new ATOM 0 HG12 VAL A 133 2.481 2.918 -5.991 1.00 1.02 H new ATOM 0 HG13 VAL A 133 4.078 2.646 -6.729 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.611 -0.020 -5.294 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.807 1.289 -5.449 1.00 0.88 H new ATOM 0 HG23 VAL A 133 5.389 0.653 -3.841 1.00 0.88 H new ATOM 231 N MET A 134 4.059 3.953 -1.793 1.00 0.54 N ATOM 232 CA MET A 134 4.410 4.085 -0.385 1.00 0.60 C ATOM 233 C MET A 134 3.749 3.020 0.483 1.00 0.57 C ATOM 234 O MET A 134 2.721 3.267 1.116 1.00 0.75 O ATOM 235 CB MET A 134 4.051 5.481 0.123 1.00 0.83 C ATOM 236 CG MET A 134 4.718 6.598 -0.665 1.00 1.14 C ATOM 237 SD MET A 134 4.293 8.239 -0.052 1.00 1.65 S ATOM 238 CE MET A 134 5.126 8.242 1.533 1.00 1.78 C ATOM 0 H MET A 134 3.352 4.614 -2.115 1.00 0.54 H new ATOM 0 HA MET A 134 5.487 3.938 -0.308 1.00 0.60 H new ATOM 0 HB2 MET A 134 2.970 5.610 0.078 1.00 0.83 H new ATOM 0 HB3 MET A 134 4.338 5.564 1.171 1.00 0.83 H new ATOM 0 HG2 MET A 134 5.800 6.469 -0.624 1.00 1.14 H new ATOM 0 HG3 MET A 134 4.427 6.520 -1.713 1.00 1.14 H new ATOM 0 HE1 MET A 134 5.200 9.265 1.903 1.00 1.78 H new ATOM 0 HE2 MET A 134 4.560 7.639 2.243 1.00 1.78 H new ATOM 0 HE3 MET A 134 6.126 7.824 1.419 1.00 1.78 H new ATOM 248 N GLY A 135 4.350 1.839 0.511 1.00 0.50 N ATOM 249 CA GLY A 135 3.912 0.804 1.417 1.00 0.61 C ATOM 250 C GLY A 135 4.395 1.078 2.826 1.00 0.70 C ATOM 251 O GLY A 135 5.586 0.945 3.122 1.00 0.77 O ATOM 0 H GLY A 135 5.138 1.581 -0.083 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.824 0.743 1.407 1.00 0.61 H new ATOM 0 HA3 GLY A 135 4.288 -0.162 1.081 1.00 0.61 H new ATOM 255 N GLY A 136 3.485 1.523 3.683 1.00 0.85 N ATOM 256 CA GLY A 136 3.832 1.810 5.064 1.00 1.03 C ATOM 257 C GLY A 136 4.679 3.063 5.207 1.00 1.08 C ATOM 258 O GLY A 136 5.162 3.371 6.298 1.00 1.72 O ATOM 0 H GLY A 136 2.507 1.691 3.446 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.919 1.925 5.647 1.00 1.03 H new ATOM 0 HA3 GLY A 136 4.373 0.961 5.483 1.00 1.03 H new ATOM 262 N GLY A 137 4.865 3.778 4.103 1.00 0.94 N ATOM 263 CA GLY A 137 5.649 4.997 4.131 1.00 0.98 C ATOM 264 C GLY A 137 6.830 4.950 3.183 1.00 0.87 C ATOM 265 O GLY A 137 7.324 5.987 2.744 1.00 1.04 O ATOM 0 H GLY A 137 4.486 3.534 3.188 1.00 0.94 H new ATOM 0 HA2 GLY A 137 5.011 5.841 3.870 1.00 0.98 H new ATOM 0 HA3 GLY A 137 6.008 5.171 5.145 1.00 0.98 H new ATOM 269 N LYS A 138 7.281 3.748 2.854 1.00 0.71 N ATOM 270 CA LYS A 138 8.435 3.589 1.977 1.00 0.71 C ATOM 271 C LYS A 138 7.987 3.394 0.535 1.00 0.53 C ATOM 272 O LYS A 138 7.006 2.704 0.281 1.00 0.52 O ATOM 273 CB LYS A 138 9.289 2.379 2.382 1.00 0.92 C ATOM 274 CG LYS A 138 9.904 2.441 3.773 1.00 1.15 C ATOM 275 CD LYS A 138 8.923 2.013 4.850 1.00 1.46 C ATOM 276 CE LYS A 138 9.628 1.746 6.170 1.00 2.11 C ATOM 277 NZ LYS A 138 10.267 2.965 6.727 1.00 2.69 N ATOM 0 H LYS A 138 6.869 2.873 3.178 1.00 0.71 H new ATOM 0 HA LYS A 138 9.031 4.497 2.069 1.00 0.71 H new ATOM 0 HB2 LYS A 138 8.671 1.483 2.318 1.00 0.92 H new ATOM 0 HB3 LYS A 138 10.092 2.265 1.654 1.00 0.92 H new ATOM 0 HG2 LYS A 138 10.784 1.799 3.809 1.00 1.15 H new ATOM 0 HG3 LYS A 138 10.242 3.457 3.974 1.00 1.15 H new ATOM 0 HD2 LYS A 138 8.171 2.790 4.988 1.00 1.46 H new ATOM 0 HD3 LYS A 138 8.397 1.114 4.529 1.00 1.46 H new ATOM 0 HE2 LYS A 138 8.909 1.355 6.890 1.00 2.11 H new ATOM 0 HE3 LYS A 138 10.386 0.976 6.025 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 10.691 2.744 7.651 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 11.008 3.297 6.077 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 9.551 3.710 6.844 1.00 2.69 H new ATOM 291 N PRO A 139 8.670 4.030 -0.428 1.00 0.51 N ATOM 292 CA PRO A 139 8.512 3.709 -1.847 1.00 0.46 C ATOM 293 C PRO A 139 8.962 2.286 -2.156 1.00 0.39 C ATOM 294 O PRO A 139 10.159 2.009 -2.247 1.00 0.51 O ATOM 295 CB PRO A 139 9.430 4.707 -2.556 1.00 0.60 C ATOM 296 CG PRO A 139 10.386 5.146 -1.511 1.00 0.72 C ATOM 297 CD PRO A 139 9.609 5.143 -0.231 1.00 0.63 C ATOM 0 HA PRO A 139 7.471 3.773 -2.162 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.947 4.242 -3.396 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.866 5.550 -2.956 1.00 0.60 H new ATOM 0 HG2 PRO A 139 11.241 4.472 -1.453 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.778 6.139 -1.730 1.00 0.72 H new ATOM 0 HD2 PRO A 139 10.253 4.982 0.634 1.00 0.63 H new ATOM 0 HD3 PRO A 139 9.090 6.088 -0.070 1.00 0.63 H new ATOM 305 N TRP A 140 8.002 1.393 -2.293 1.00 0.34 N ATOM 306 CA TRP A 140 8.286 0.030 -2.694 1.00 0.33 C ATOM 307 C TRP A 140 8.355 -0.037 -4.211 1.00 0.31 C ATOM 308 O TRP A 140 8.232 0.984 -4.885 1.00 0.38 O ATOM 309 CB TRP A 140 7.202 -0.924 -2.173 1.00 0.40 C ATOM 310 CG TRP A 140 7.232 -1.146 -0.686 1.00 0.44 C ATOM 311 CD1 TRP A 140 7.343 -0.199 0.287 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.129 -2.402 -0.006 1.00 0.51 C ATOM 313 NE1 TRP A 140 7.324 -0.788 1.529 1.00 0.61 N ATOM 314 CE2 TRP A 140 7.196 -2.140 1.373 1.00 0.58 C ATOM 315 CE3 TRP A 140 6.993 -3.721 -0.434 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.127 -3.152 2.330 1.00 0.69 C ATOM 317 CZ3 TRP A 140 6.923 -4.725 0.514 1.00 0.76 C ATOM 318 CH2 TRP A 140 6.992 -4.436 1.880 1.00 0.78 C ATOM 0 H TRP A 140 7.014 1.588 -2.132 1.00 0.34 H new ATOM 0 HA TRP A 140 9.241 -0.277 -2.268 1.00 0.33 H new ATOM 0 HB2 TRP A 140 6.224 -0.529 -2.449 1.00 0.40 H new ATOM 0 HB3 TRP A 140 7.311 -1.886 -2.674 1.00 0.40 H new ATOM 0 HD1 TRP A 140 7.433 0.862 0.108 1.00 0.54 H new ATOM 0 HE1 TRP A 140 7.394 -0.297 2.420 1.00 0.61 H new ATOM 0 HE3 TRP A 140 6.943 -3.955 -1.487 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 7.178 -2.930 3.386 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 6.813 -5.750 0.194 1.00 0.76 H new ATOM 0 HH2 TRP A 140 6.938 -5.244 2.595 1.00 0.78 H new ATOM 329 N HIS A 141 8.545 -1.227 -4.743 1.00 0.34 N ATOM 330 CA HIS A 141 8.551 -1.415 -6.184 1.00 0.34 C ATOM 331 C HIS A 141 7.133 -1.547 -6.703 1.00 0.40 C ATOM 332 O HIS A 141 6.252 -2.007 -5.988 1.00 0.51 O ATOM 333 CB HIS A 141 9.349 -2.666 -6.564 1.00 0.42 C ATOM 334 CG HIS A 141 10.822 -2.493 -6.442 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.645 -3.487 -5.972 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.574 -1.416 -6.764 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.869 -2.994 -6.010 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.876 -1.737 -6.489 1.00 0.72 N ATOM 0 H HIS A 141 8.697 -2.079 -4.203 1.00 0.34 H new ATOM 0 HA HIS A 141 9.023 -0.542 -6.636 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.035 -3.494 -5.928 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.108 -2.943 -7.590 1.00 0.42 H new ATOM 0 HD2 HIS A 141 11.215 -0.479 -7.163 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.752 -3.531 -5.697 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.692 -1.140 -6.621 1.00 0.72 H new ATOM 346 N LYS A 142 6.910 -1.140 -7.941 1.00 0.49 N ATOM 347 CA LYS A 142 5.644 -1.427 -8.609 1.00 0.65 C ATOM 348 C LYS A 142 5.435 -2.937 -8.664 1.00 0.71 C ATOM 349 O LYS A 142 4.311 -3.431 -8.616 1.00 0.89 O ATOM 350 CB LYS A 142 5.631 -0.854 -10.024 1.00 0.85 C ATOM 351 CG LYS A 142 5.758 0.658 -10.077 1.00 1.52 C ATOM 352 CD LYS A 142 4.507 1.358 -9.573 1.00 1.88 C ATOM 353 CE LYS A 142 4.632 2.868 -9.705 1.00 2.60 C ATOM 354 NZ LYS A 142 4.947 3.274 -11.100 1.00 3.19 N ATOM 0 H LYS A 142 7.580 -0.614 -8.503 1.00 0.49 H new ATOM 0 HA LYS A 142 4.837 -0.960 -8.044 1.00 0.65 H new ATOM 0 HB2 LYS A 142 6.448 -1.298 -10.592 1.00 0.85 H new ATOM 0 HB3 LYS A 142 4.704 -1.148 -10.516 1.00 0.85 H new ATOM 0 HG2 LYS A 142 6.613 0.970 -9.478 1.00 1.52 H new ATOM 0 HG3 LYS A 142 5.957 0.968 -11.103 1.00 1.52 H new ATOM 0 HD2 LYS A 142 3.641 1.011 -10.137 1.00 1.88 H new ATOM 0 HD3 LYS A 142 4.335 1.094 -8.529 1.00 1.88 H new ATOM 0 HE2 LYS A 142 3.701 3.339 -9.390 1.00 2.60 H new ATOM 0 HE3 LYS A 142 5.413 3.228 -9.036 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 5.058 4.307 -11.144 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 5.831 2.817 -11.403 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 4.173 2.982 -11.730 1.00 3.19 H new ATOM 368 N THR A 143 6.547 -3.658 -8.745 1.00 0.69 N ATOM 369 CA THR A 143 6.537 -5.111 -8.747 1.00 0.84 C ATOM 370 C THR A 143 6.453 -5.664 -7.328 1.00 0.84 C ATOM 371 O THR A 143 6.453 -6.874 -7.127 1.00 1.10 O ATOM 372 CB THR A 143 7.804 -5.666 -9.424 1.00 0.95 C ATOM 373 OG1 THR A 143 8.973 -5.089 -8.823 1.00 1.38 O ATOM 374 CG2 THR A 143 7.802 -5.368 -10.912 1.00 1.47 C ATOM 0 H THR A 143 7.479 -3.249 -8.811 1.00 0.69 H new ATOM 0 HA THR A 143 5.656 -5.426 -9.307 1.00 0.84 H new ATOM 0 HB THR A 143 7.815 -6.747 -9.286 1.00 0.95 H new ATOM 0 HG1 THR A 143 9.775 -5.448 -9.257 1.00 1.38 H new ATOM 0 HG21 THR A 143 8.708 -5.771 -11.365 1.00 1.47 H new ATOM 0 HG22 THR A 143 6.929 -5.829 -11.374 1.00 1.47 H new ATOM 0 HG23 THR A 143 7.768 -4.290 -11.067 1.00 1.47 H new ATOM 382 N CYS A 144 6.410 -4.774 -6.348 1.00 0.68 N ATOM 383 CA CYS A 144 6.352 -5.179 -4.954 1.00 0.76 C ATOM 384 C CYS A 144 5.240 -4.454 -4.217 1.00 0.81 C ATOM 385 O CYS A 144 5.106 -4.571 -3.001 1.00 0.96 O ATOM 386 CB CYS A 144 7.694 -4.936 -4.283 1.00 0.73 C ATOM 387 SG CYS A 144 9.049 -5.798 -5.126 1.00 1.14 S ATOM 0 H CYS A 144 6.414 -3.765 -6.494 1.00 0.68 H new ATOM 0 HA CYS A 144 6.130 -6.246 -4.916 1.00 0.76 H new ATOM 0 HB2 CYS A 144 7.901 -3.866 -4.266 1.00 0.73 H new ATOM 0 HB3 CYS A 144 7.645 -5.267 -3.246 1.00 0.73 H new ATOM 392 N PHE A 145 4.430 -3.714 -4.962 1.00 0.80 N ATOM 393 CA PHE A 145 3.215 -3.144 -4.416 1.00 0.86 C ATOM 394 C PHE A 145 2.169 -4.238 -4.433 1.00 0.79 C ATOM 395 O PHE A 145 1.099 -4.104 -5.017 1.00 0.81 O ATOM 396 CB PHE A 145 2.758 -1.941 -5.240 1.00 0.94 C ATOM 397 CG PHE A 145 1.981 -0.933 -4.447 1.00 0.97 C ATOM 398 CD1 PHE A 145 2.316 -0.668 -3.127 1.00 1.03 C ATOM 399 CD2 PHE A 145 0.930 -0.237 -5.021 1.00 1.05 C ATOM 400 CE1 PHE A 145 1.617 0.269 -2.397 1.00 1.10 C ATOM 401 CE2 PHE A 145 0.230 0.705 -4.295 1.00 1.13 C ATOM 402 CZ PHE A 145 0.575 0.959 -2.983 1.00 1.13 C ATOM 0 H PHE A 145 4.596 -3.497 -5.945 1.00 0.80 H new ATOM 0 HA PHE A 145 3.381 -2.784 -3.401 1.00 0.86 H new ATOM 0 HB2 PHE A 145 3.632 -1.455 -5.674 1.00 0.94 H new ATOM 0 HB3 PHE A 145 2.143 -2.291 -6.069 1.00 0.94 H new ATOM 0 HD1 PHE A 145 3.134 -1.202 -2.666 1.00 1.03 H new ATOM 0 HD2 PHE A 145 0.656 -0.433 -6.047 1.00 1.05 H new ATOM 0 HE1 PHE A 145 1.884 0.463 -1.369 1.00 1.10 H new ATOM 0 HE2 PHE A 145 -0.587 1.243 -4.753 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.030 1.698 -2.415 1.00 1.13 H new ATOM 412 N ARG A 146 2.536 -5.338 -3.810 1.00 0.76 N ATOM 413 CA ARG A 146 1.799 -6.574 -3.891 1.00 0.69 C ATOM 414 C ARG A 146 1.760 -7.218 -2.526 1.00 0.66 C ATOM 415 O ARG A 146 2.561 -6.880 -1.652 1.00 0.95 O ATOM 416 CB ARG A 146 2.495 -7.543 -4.861 1.00 0.77 C ATOM 417 CG ARG A 146 2.810 -6.954 -6.229 1.00 1.08 C ATOM 418 CD ARG A 146 3.263 -8.026 -7.210 1.00 1.13 C ATOM 419 NE ARG A 146 4.506 -8.673 -6.796 1.00 1.61 N ATOM 420 CZ ARG A 146 5.030 -9.741 -7.398 1.00 1.86 C ATOM 421 NH1 ARG A 146 4.412 -10.301 -8.429 1.00 1.73 N ATOM 422 NH2 ARG A 146 6.183 -10.239 -6.980 1.00 2.78 N ATOM 0 H ARG A 146 3.369 -5.396 -3.224 1.00 0.76 H new ATOM 0 HA ARG A 146 0.791 -6.360 -4.245 1.00 0.69 H new ATOM 0 HB2 ARG A 146 3.424 -7.887 -4.406 1.00 0.77 H new ATOM 0 HB3 ARG A 146 1.861 -8.420 -4.995 1.00 0.77 H new ATOM 0 HG2 ARG A 146 1.926 -6.451 -6.621 1.00 1.08 H new ATOM 0 HG3 ARG A 146 3.589 -6.198 -6.130 1.00 1.08 H new ATOM 0 HD2 ARG A 146 2.481 -8.778 -7.308 1.00 1.13 H new ATOM 0 HD3 ARG A 146 3.400 -7.579 -8.194 1.00 1.13 H new ATOM 0 HE ARG A 146 5.004 -8.283 -5.996 1.00 1.61 H new ATOM 0 HH11 ARG A 146 3.530 -9.915 -8.766 1.00 1.73 H new ATOM 0 HH12 ARG A 146 4.818 -11.118 -8.885 1.00 1.73 H new ATOM 0 HH21 ARG A 146 6.672 -9.806 -6.196 1.00 2.78 H new ATOM 0 HH22 ARG A 146 6.583 -11.056 -7.441 1.00 2.78 H new ATOM 436 N CYS A 147 0.847 -8.144 -2.336 1.00 0.42 N ATOM 437 CA CYS A 147 0.901 -8.970 -1.160 1.00 0.43 C ATOM 438 C CYS A 147 1.654 -10.240 -1.518 1.00 0.52 C ATOM 439 O CYS A 147 1.483 -10.793 -2.630 1.00 0.53 O ATOM 440 CB CYS A 147 -0.485 -9.291 -0.616 1.00 0.43 C ATOM 441 SG CYS A 147 -0.983 -11.014 -0.821 1.00 0.68 S ATOM 0 H CYS A 147 0.073 -8.339 -2.971 1.00 0.42 H new ATOM 0 HA CYS A 147 1.417 -8.431 -0.365 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.513 -9.041 0.444 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -1.215 -8.652 -1.114 1.00 0.43 H new ATOM 446 N ALA A 148 2.510 -10.662 -0.595 1.00 0.67 N ATOM 447 CA ALA A 148 3.380 -11.810 -0.792 1.00 0.82 C ATOM 448 C ALA A 148 2.623 -13.129 -0.687 1.00 0.84 C ATOM 449 O ALA A 148 3.174 -14.185 -0.997 1.00 0.98 O ATOM 450 CB ALA A 148 4.522 -11.776 0.211 1.00 1.02 C ATOM 0 H ALA A 148 2.619 -10.214 0.315 1.00 0.67 H new ATOM 0 HA ALA A 148 3.782 -11.748 -1.803 1.00 0.82 H new ATOM 0 HB1 ALA A 148 5.168 -12.640 0.056 1.00 1.02 H new ATOM 0 HB2 ALA A 148 5.099 -10.862 0.074 1.00 1.02 H new ATOM 0 HB3 ALA A 148 4.118 -11.802 1.223 1.00 1.02 H new ATOM 456 N ILE A 149 1.366 -13.075 -0.251 1.00 0.76 N ATOM 457 CA ILE A 149 0.573 -14.291 -0.097 1.00 0.84 C ATOM 458 C ILE A 149 0.279 -14.897 -1.460 1.00 0.85 C ATOM 459 O ILE A 149 0.348 -16.115 -1.642 1.00 1.00 O ATOM 460 CB ILE A 149 -0.760 -14.037 0.644 1.00 0.82 C ATOM 461 CG1 ILE A 149 -0.497 -13.518 2.061 1.00 0.86 C ATOM 462 CG2 ILE A 149 -1.601 -15.311 0.689 1.00 0.97 C ATOM 463 CD1 ILE A 149 -1.759 -13.312 2.870 1.00 1.02 C ATOM 0 H ILE A 149 0.880 -12.214 -0.001 1.00 0.76 H new ATOM 0 HA ILE A 149 1.164 -14.981 0.506 1.00 0.84 H new ATOM 0 HB ILE A 149 -1.317 -13.277 0.096 1.00 0.82 H new ATOM 0 HG12 ILE A 149 0.150 -14.223 2.584 1.00 0.86 H new ATOM 0 HG13 ILE A 149 0.044 -12.574 1.999 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -2.535 -15.112 1.214 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -1.819 -15.639 -0.327 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -1.050 -16.093 1.212 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -1.499 -12.944 3.862 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -2.398 -12.585 2.369 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -2.291 -14.259 2.962 1.00 1.02 H new ATOM 475 N CYS A 150 -0.023 -14.049 -2.428 1.00 0.73 N ATOM 476 CA CYS A 150 -0.353 -14.521 -3.746 1.00 0.79 C ATOM 477 C CYS A 150 0.726 -14.083 -4.724 1.00 0.75 C ATOM 478 O CYS A 150 0.963 -14.716 -5.755 1.00 0.87 O ATOM 479 CB CYS A 150 -1.694 -13.934 -4.154 1.00 0.78 C ATOM 480 SG CYS A 150 -1.642 -12.125 -4.314 1.00 0.82 S ATOM 0 H CYS A 150 -0.044 -13.035 -2.319 1.00 0.73 H new ATOM 0 HA CYS A 150 -0.414 -15.609 -3.751 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -2.004 -14.371 -5.103 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -2.447 -14.209 -3.415 1.00 0.78 H new ATOM 485 N GLY A 151 1.391 -12.996 -4.358 1.00 0.66 N ATOM 486 CA GLY A 151 2.346 -12.374 -5.233 1.00 0.70 C ATOM 487 C GLY A 151 1.648 -11.564 -6.296 1.00 0.66 C ATOM 488 O GLY A 151 2.064 -11.561 -7.454 1.00 0.76 O ATOM 0 H GLY A 151 1.279 -12.533 -3.456 1.00 0.66 H new ATOM 0 HA2 GLY A 151 3.010 -11.730 -4.656 1.00 0.70 H new ATOM 0 HA3 GLY A 151 2.969 -13.137 -5.701 1.00 0.70 H new ATOM 492 N LYS A 152 0.574 -10.878 -5.913 1.00 0.58 N ATOM 493 CA LYS A 152 -0.200 -10.128 -6.894 1.00 0.64 C ATOM 494 C LYS A 152 -0.299 -8.653 -6.517 1.00 0.56 C ATOM 495 O LYS A 152 -0.327 -8.294 -5.337 1.00 0.50 O ATOM 496 CB LYS A 152 -1.587 -10.748 -7.120 1.00 0.80 C ATOM 497 CG LYS A 152 -2.706 -10.053 -6.374 1.00 0.89 C ATOM 498 CD LYS A 152 -3.586 -9.248 -7.309 1.00 1.39 C ATOM 499 CE LYS A 152 -4.729 -8.588 -6.559 1.00 1.75 C ATOM 500 NZ LYS A 152 -4.233 -7.658 -5.512 1.00 2.37 N ATOM 0 H LYS A 152 0.227 -10.826 -4.955 1.00 0.58 H new ATOM 0 HA LYS A 152 0.335 -10.187 -7.842 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -1.811 -10.731 -8.187 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -1.559 -11.795 -6.817 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -3.311 -10.794 -5.852 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.284 -9.395 -5.615 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -2.988 -8.486 -7.809 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -3.986 -9.899 -8.086 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -5.359 -8.043 -7.262 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -5.353 -9.354 -6.099 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -5.030 -7.114 -5.125 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -3.783 -8.203 -4.749 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -3.538 -7.006 -5.928 1.00 2.37 H new ATOM 514 N SER A 153 -0.359 -7.811 -7.547 1.00 0.67 N ATOM 515 CA SER A 153 -0.209 -6.368 -7.407 1.00 0.73 C ATOM 516 C SER A 153 -1.462 -5.676 -6.873 1.00 0.76 C ATOM 517 O SER A 153 -2.587 -6.136 -7.067 1.00 0.94 O ATOM 518 CB SER A 153 0.181 -5.783 -8.765 1.00 0.91 C ATOM 519 OG SER A 153 -0.559 -6.399 -9.808 1.00 1.46 O ATOM 0 H SER A 153 -0.514 -8.115 -8.508 1.00 0.67 H new ATOM 0 HA SER A 153 0.570 -6.188 -6.667 1.00 0.73 H new ATOM 0 HB2 SER A 153 -0.001 -4.708 -8.769 1.00 0.91 H new ATOM 0 HB3 SER A 153 1.248 -5.927 -8.936 1.00 0.91 H new ATOM 0 HG SER A 153 -0.063 -7.173 -10.148 1.00 1.46 H new ATOM 525 N LEU A 154 -1.238 -4.564 -6.192 1.00 0.71 N ATOM 526 CA LEU A 154 -2.303 -3.733 -5.661 1.00 0.76 C ATOM 527 C LEU A 154 -2.421 -2.465 -6.496 1.00 0.92 C ATOM 528 O LEU A 154 -1.417 -1.913 -6.945 1.00 1.13 O ATOM 529 CB LEU A 154 -1.992 -3.379 -4.204 1.00 0.70 C ATOM 530 CG LEU A 154 -1.788 -4.581 -3.284 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.318 -4.140 -1.906 1.00 0.85 C ATOM 532 CD2 LEU A 154 -3.073 -5.375 -3.176 1.00 0.86 C ATOM 0 H LEU A 154 -0.303 -4.211 -5.991 1.00 0.71 H new ATOM 0 HA LEU A 154 -3.249 -4.274 -5.702 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -1.094 -2.762 -4.178 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -2.807 -2.772 -3.810 1.00 0.70 H new ATOM 0 HG LEU A 154 -1.014 -5.216 -3.715 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -1.181 -5.015 -1.271 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.372 -3.606 -1.998 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -2.064 -3.482 -1.460 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -2.918 -6.230 -2.518 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.859 -4.741 -2.767 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -3.368 -5.727 -4.165 1.00 0.86 H new ATOM 544 N GLU A 155 -3.652 -2.017 -6.709 1.00 1.24 N ATOM 545 CA GLU A 155 -3.911 -0.843 -7.534 1.00 1.53 C ATOM 546 C GLU A 155 -3.560 0.455 -6.792 1.00 1.73 C ATOM 547 O GLU A 155 -2.786 1.265 -7.299 1.00 2.45 O ATOM 548 CB GLU A 155 -5.376 -0.878 -8.028 1.00 1.96 C ATOM 549 CG GLU A 155 -6.134 0.446 -7.983 1.00 2.39 C ATOM 550 CD GLU A 155 -6.805 0.690 -6.644 1.00 3.01 C ATOM 551 OE1 GLU A 155 -6.863 -0.243 -5.817 1.00 3.54 O ATOM 552 OE2 GLU A 155 -7.315 1.812 -6.428 1.00 3.46 O ATOM 0 H GLU A 155 -4.490 -2.450 -6.320 1.00 1.24 H new ATOM 0 HA GLU A 155 -3.262 -0.864 -8.409 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -5.382 -1.242 -9.055 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -5.922 -1.606 -7.429 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -5.444 1.263 -8.193 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -6.888 0.455 -8.770 1.00 2.39 H new ATOM 559 N SER A 156 -4.124 0.623 -5.596 1.00 1.83 N ATOM 560 CA SER A 156 -3.887 1.801 -4.757 1.00 2.22 C ATOM 561 C SER A 156 -4.813 1.761 -3.545 1.00 1.96 C ATOM 562 O SER A 156 -4.363 1.792 -2.400 1.00 2.65 O ATOM 563 CB SER A 156 -4.125 3.102 -5.542 1.00 3.04 C ATOM 564 OG SER A 156 -3.903 4.243 -4.729 1.00 3.58 O ATOM 0 H SER A 156 -4.761 -0.056 -5.179 1.00 1.83 H new ATOM 0 HA SER A 156 -2.847 1.783 -4.432 1.00 2.22 H new ATOM 0 HB2 SER A 156 -3.462 3.134 -6.406 1.00 3.04 H new ATOM 0 HB3 SER A 156 -5.146 3.118 -5.923 1.00 3.04 H new ATOM 0 HG SER A 156 -4.060 5.055 -5.255 1.00 3.58 H new ATOM 570 N THR A 157 -6.108 1.669 -3.809 1.00 1.62 N ATOM 571 CA THR A 157 -7.104 1.592 -2.757 1.00 1.69 C ATOM 572 C THR A 157 -7.259 0.143 -2.303 1.00 1.51 C ATOM 573 O THR A 157 -7.758 -0.141 -1.216 1.00 2.11 O ATOM 574 CB THR A 157 -8.458 2.129 -3.253 1.00 2.15 C ATOM 575 OG1 THR A 157 -8.237 3.128 -4.260 1.00 2.66 O ATOM 576 CG2 THR A 157 -9.256 2.731 -2.107 1.00 2.67 C ATOM 0 H THR A 157 -6.494 1.646 -4.753 1.00 1.62 H new ATOM 0 HA THR A 157 -6.774 2.204 -1.918 1.00 1.69 H new ATOM 0 HB THR A 157 -9.027 1.299 -3.672 1.00 2.15 H new ATOM 0 HG1 THR A 157 -8.131 2.695 -5.133 1.00 2.66 H new ATOM 0 HG21 THR A 157 -10.209 3.103 -2.483 1.00 2.67 H new ATOM 0 HG22 THR A 157 -9.438 1.968 -1.350 1.00 2.67 H new ATOM 0 HG23 THR A 157 -8.694 3.554 -1.665 1.00 2.67 H new ATOM 584 N ASN A 158 -6.820 -0.769 -3.164 1.00 1.17 N ATOM 585 CA ASN A 158 -6.789 -2.196 -2.850 1.00 1.14 C ATOM 586 C ASN A 158 -5.647 -2.539 -1.906 1.00 0.94 C ATOM 587 O ASN A 158 -5.473 -3.693 -1.524 1.00 1.16 O ATOM 588 CB ASN A 158 -6.663 -3.026 -4.129 1.00 1.38 C ATOM 589 CG ASN A 158 -8.005 -3.297 -4.776 1.00 1.61 C ATOM 590 OD1 ASN A 158 -8.640 -4.305 -4.487 1.00 2.30 O ATOM 591 ND2 ASN A 158 -8.452 -2.400 -5.640 1.00 2.09 N ATOM 0 H ASN A 158 -6.476 -0.542 -4.097 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.728 -2.437 -2.352 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -6.021 -2.502 -4.837 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -6.176 -3.973 -3.898 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -9.356 -2.534 -6.093 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -7.893 -1.574 -5.853 1.00 2.09 H new ATOM 598 N VAL A 159 -4.877 -1.533 -1.534 1.00 0.79 N ATOM 599 CA VAL A 159 -3.774 -1.727 -0.613 1.00 0.72 C ATOM 600 C VAL A 159 -4.287 -1.744 0.818 1.00 0.69 C ATOM 601 O VAL A 159 -4.882 -0.773 1.285 1.00 0.83 O ATOM 602 CB VAL A 159 -2.708 -0.620 -0.758 1.00 0.94 C ATOM 603 CG1 VAL A 159 -1.543 -0.860 0.192 1.00 1.27 C ATOM 604 CG2 VAL A 159 -2.216 -0.527 -2.195 1.00 1.59 C ATOM 0 H VAL A 159 -4.996 -0.573 -1.856 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.310 -2.683 -0.855 1.00 0.72 H new ATOM 0 HB VAL A 159 -3.173 0.330 -0.494 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -0.805 -0.067 0.071 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -1.906 -0.864 1.220 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -1.082 -1.822 -0.033 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -1.466 0.260 -2.272 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.775 -1.479 -2.491 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -3.054 -0.295 -2.852 1.00 1.59 H new ATOM 614 N THR A 160 -4.085 -2.861 1.491 1.00 0.62 N ATOM 615 CA THR A 160 -4.465 -2.987 2.883 1.00 0.67 C ATOM 616 C THR A 160 -3.254 -3.427 3.701 1.00 0.70 C ATOM 617 O THR A 160 -2.779 -4.551 3.554 1.00 0.81 O ATOM 618 CB THR A 160 -5.602 -4.013 3.048 1.00 0.71 C ATOM 619 OG1 THR A 160 -6.196 -4.292 1.767 1.00 1.16 O ATOM 620 CG2 THR A 160 -6.665 -3.490 4.001 1.00 1.08 C ATOM 0 H THR A 160 -3.658 -3.697 1.093 1.00 0.62 H new ATOM 0 HA THR A 160 -4.819 -2.019 3.238 1.00 0.67 H new ATOM 0 HB THR A 160 -5.183 -4.929 3.464 1.00 0.71 H new ATOM 0 HG1 THR A 160 -5.598 -4.870 1.248 1.00 1.16 H new ATOM 0 HG21 THR A 160 -7.458 -4.230 4.103 1.00 1.08 H new ATOM 0 HG22 THR A 160 -6.218 -3.301 4.977 1.00 1.08 H new ATOM 0 HG23 THR A 160 -7.082 -2.563 3.607 1.00 1.08 H new ATOM 628 N ASP A 161 -2.739 -2.539 4.542 1.00 0.82 N ATOM 629 CA ASP A 161 -1.532 -2.846 5.305 1.00 0.93 C ATOM 630 C ASP A 161 -1.881 -3.432 6.667 1.00 0.96 C ATOM 631 O ASP A 161 -2.874 -3.050 7.293 1.00 1.06 O ATOM 632 CB ASP A 161 -0.636 -1.605 5.473 1.00 1.18 C ATOM 633 CG ASP A 161 -1.115 -0.644 6.546 1.00 1.61 C ATOM 634 OD1 ASP A 161 -0.761 -0.837 7.728 1.00 2.13 O ATOM 635 OD2 ASP A 161 -1.863 0.298 6.217 1.00 2.27 O ATOM 0 H ASP A 161 -3.130 -1.613 4.713 1.00 0.82 H new ATOM 0 HA ASP A 161 -0.973 -3.591 4.738 1.00 0.93 H new ATOM 0 HB2 ASP A 161 0.376 -1.929 5.715 1.00 1.18 H new ATOM 0 HB3 ASP A 161 -0.583 -1.075 4.522 1.00 1.18 H new ATOM 640 N LYS A 162 -1.067 -4.375 7.104 1.00 0.98 N ATOM 641 CA LYS A 162 -1.235 -5.006 8.401 1.00 1.10 C ATOM 642 C LYS A 162 0.124 -5.087 9.093 1.00 1.22 C ATOM 643 O LYS A 162 0.956 -5.925 8.736 1.00 1.27 O ATOM 644 CB LYS A 162 -1.858 -6.401 8.214 1.00 1.17 C ATOM 645 CG LYS A 162 -2.397 -7.054 9.484 1.00 1.55 C ATOM 646 CD LYS A 162 -1.291 -7.639 10.351 1.00 1.86 C ATOM 647 CE LYS A 162 -1.849 -8.546 11.438 1.00 2.36 C ATOM 648 NZ LYS A 162 -2.767 -7.834 12.367 1.00 2.95 N ATOM 0 H LYS A 162 -0.271 -4.725 6.571 1.00 0.98 H new ATOM 0 HA LYS A 162 -1.906 -4.420 9.028 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -2.671 -6.323 7.493 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -1.107 -7.060 7.778 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -2.954 -6.316 10.060 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -3.099 -7.843 9.214 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -0.599 -8.203 9.726 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -0.721 -6.830 10.809 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -2.381 -9.377 10.974 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -1.024 -8.974 12.007 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -3.064 -8.481 13.125 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -2.276 -7.016 12.782 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -3.604 -7.506 11.844 1.00 2.95 H new ATOM 662 N ASP A 163 0.350 -4.172 10.039 1.00 1.37 N ATOM 663 CA ASP A 163 1.599 -4.101 10.812 1.00 1.58 C ATOM 664 C ASP A 163 2.764 -3.639 9.937 1.00 1.48 C ATOM 665 O ASP A 163 3.191 -2.482 10.011 1.00 1.94 O ATOM 666 CB ASP A 163 1.922 -5.451 11.474 1.00 1.83 C ATOM 667 CG ASP A 163 3.199 -5.419 12.295 1.00 2.42 C ATOM 668 OD1 ASP A 163 4.280 -5.710 11.737 1.00 2.97 O ATOM 669 OD2 ASP A 163 3.122 -5.129 13.505 1.00 2.80 O ATOM 0 H ASP A 163 -0.329 -3.455 10.294 1.00 1.37 H new ATOM 0 HA ASP A 163 1.454 -3.363 11.601 1.00 1.58 H new ATOM 0 HB2 ASP A 163 1.091 -5.742 12.116 1.00 1.83 H new ATOM 0 HB3 ASP A 163 2.012 -6.216 10.702 1.00 1.83 H new ATOM 674 N GLY A 164 3.260 -4.535 9.099 1.00 1.41 N ATOM 675 CA GLY A 164 4.359 -4.207 8.216 1.00 1.46 C ATOM 676 C GLY A 164 4.311 -5.022 6.945 1.00 1.29 C ATOM 677 O GLY A 164 5.346 -5.337 6.361 1.00 1.45 O ATOM 0 H GLY A 164 2.918 -5.492 9.014 1.00 1.41 H new ATOM 0 HA2 GLY A 164 4.325 -3.146 7.970 1.00 1.46 H new ATOM 0 HA3 GLY A 164 5.304 -4.386 8.728 1.00 1.46 H new ATOM 681 N GLU A 165 3.106 -5.386 6.535 1.00 1.10 N ATOM 682 CA GLU A 165 2.915 -6.181 5.332 1.00 1.01 C ATOM 683 C GLU A 165 1.749 -5.621 4.527 1.00 0.86 C ATOM 684 O GLU A 165 0.742 -5.196 5.101 1.00 0.92 O ATOM 685 CB GLU A 165 2.627 -7.635 5.712 1.00 1.13 C ATOM 686 CG GLU A 165 2.848 -8.636 4.588 1.00 1.48 C ATOM 687 CD GLU A 165 4.312 -8.842 4.266 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.140 -8.817 5.202 1.00 2.17 O ATOM 689 OE2 GLU A 165 4.643 -9.061 3.082 1.00 2.21 O ATOM 0 H GLU A 165 2.242 -5.142 7.020 1.00 1.10 H new ATOM 0 HA GLU A 165 3.822 -6.141 4.729 1.00 1.01 H new ATOM 0 HB2 GLU A 165 3.261 -7.909 6.556 1.00 1.13 H new ATOM 0 HB3 GLU A 165 1.594 -7.711 6.051 1.00 1.13 H new ATOM 0 HG2 GLU A 165 2.404 -9.592 4.866 1.00 1.48 H new ATOM 0 HG3 GLU A 165 2.329 -8.292 3.694 1.00 1.48 H new ATOM 696 N LEU A 166 1.891 -5.602 3.213 1.00 0.77 N ATOM 697 CA LEU A 166 0.814 -5.177 2.334 1.00 0.65 C ATOM 698 C LEU A 166 0.030 -6.400 1.882 1.00 0.55 C ATOM 699 O LEU A 166 0.624 -7.427 1.553 1.00 0.63 O ATOM 700 CB LEU A 166 1.355 -4.416 1.109 1.00 0.71 C ATOM 701 CG LEU A 166 2.024 -3.060 1.387 1.00 0.86 C ATOM 702 CD1 LEU A 166 1.144 -2.189 2.269 1.00 1.25 C ATOM 703 CD2 LEU A 166 3.400 -3.239 2.013 1.00 1.21 C ATOM 0 H LEU A 166 2.746 -5.877 2.729 1.00 0.77 H new ATOM 0 HA LEU A 166 0.163 -4.498 2.884 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.077 -5.055 0.601 1.00 0.71 H new ATOM 0 HB3 LEU A 166 0.530 -4.254 0.416 1.00 0.71 H new ATOM 0 HG LEU A 166 2.154 -2.556 0.429 1.00 0.86 H new ATOM 0 HD11 LEU A 166 1.641 -1.236 2.450 1.00 1.25 H new ATOM 0 HD12 LEU A 166 0.191 -2.013 1.771 1.00 1.25 H new ATOM 0 HD13 LEU A 166 0.969 -2.693 3.219 1.00 1.25 H new ATOM 0 HD21 LEU A 166 3.846 -2.262 2.197 1.00 1.21 H new ATOM 0 HD22 LEU A 166 3.304 -3.777 2.956 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.037 -3.807 1.335 1.00 1.21 H new ATOM 715 N TYR A 167 -1.294 -6.304 1.899 1.00 0.46 N ATOM 716 CA TYR A 167 -2.146 -7.411 1.484 1.00 0.38 C ATOM 717 C TYR A 167 -3.247 -6.932 0.542 1.00 0.33 C ATOM 718 O TYR A 167 -3.728 -5.797 0.651 1.00 0.45 O ATOM 719 CB TYR A 167 -2.792 -8.079 2.697 1.00 0.46 C ATOM 720 CG TYR A 167 -1.833 -8.705 3.688 1.00 0.62 C ATOM 721 CD1 TYR A 167 -1.195 -9.910 3.406 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.545 -8.083 4.892 1.00 0.79 C ATOM 723 CE1 TYR A 167 -0.299 -10.469 4.294 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.652 -8.639 5.789 1.00 0.97 C ATOM 725 CZ TYR A 167 -0.116 -9.884 5.532 1.00 1.03 C ATOM 726 OH TYR A 167 0.867 -10.388 6.371 1.00 1.23 O ATOM 0 H TYR A 167 -1.801 -5.470 2.196 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.514 -8.130 0.963 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -3.394 -7.336 3.221 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.475 -8.851 2.343 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -1.405 -10.416 2.475 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -2.027 -7.147 5.134 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.254 -11.356 4.024 1.00 0.94 H new ATOM 0 HE2 TYR A 167 -0.376 -8.102 6.685 1.00 0.97 H new ATOM 0 HH TYR A 167 0.879 -9.875 7.206 1.00 1.23 H new ATOM 736 N CYS A 168 -3.639 -7.806 -0.382 1.00 0.30 N ATOM 737 CA CYS A 168 -4.752 -7.539 -1.283 1.00 0.38 C ATOM 738 C CYS A 168 -6.076 -7.708 -0.556 1.00 0.45 C ATOM 739 O CYS A 168 -6.124 -8.372 0.471 1.00 0.47 O ATOM 740 CB CYS A 168 -4.720 -8.503 -2.470 1.00 0.46 C ATOM 741 SG CYS A 168 -3.051 -8.887 -3.084 1.00 0.52 S ATOM 0 H CYS A 168 -3.196 -8.713 -0.525 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.656 -6.513 -1.639 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.210 -9.433 -2.180 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.304 -8.076 -3.285 1.00 0.46 H new ATOM 746 N LYS A 169 -7.145 -7.126 -1.085 1.00 0.60 N ATOM 747 CA LYS A 169 -8.475 -7.305 -0.496 1.00 0.72 C ATOM 748 C LYS A 169 -8.801 -8.784 -0.292 1.00 0.69 C ATOM 749 O LYS A 169 -9.160 -9.202 0.807 1.00 0.75 O ATOM 750 CB LYS A 169 -9.560 -6.680 -1.369 1.00 0.94 C ATOM 751 CG LYS A 169 -9.675 -5.175 -1.237 1.00 1.57 C ATOM 752 CD LYS A 169 -10.872 -4.656 -2.017 1.00 1.97 C ATOM 753 CE LYS A 169 -11.074 -3.167 -1.818 1.00 2.66 C ATOM 754 NZ LYS A 169 -9.896 -2.386 -2.269 1.00 3.12 N ATOM 0 H LYS A 169 -7.123 -6.531 -1.913 1.00 0.60 H new ATOM 0 HA LYS A 169 -8.456 -6.803 0.471 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -9.359 -6.927 -2.411 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -10.519 -7.130 -1.114 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -9.775 -4.904 -0.186 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -8.764 -4.702 -1.603 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -10.732 -4.865 -3.078 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -11.769 -5.189 -1.703 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -11.957 -2.843 -2.369 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -11.263 -2.964 -0.764 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -9.665 -1.663 -1.557 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -9.083 -3.023 -2.391 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -10.112 -1.923 -3.175 1.00 3.12 H new ATOM 768 N VAL A 170 -8.650 -9.566 -1.357 1.00 0.70 N ATOM 769 CA VAL A 170 -9.000 -10.985 -1.336 1.00 0.77 C ATOM 770 C VAL A 170 -8.177 -11.740 -0.297 1.00 0.69 C ATOM 771 O VAL A 170 -8.715 -12.507 0.505 1.00 0.78 O ATOM 772 CB VAL A 170 -8.762 -11.635 -2.717 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.215 -13.088 -2.720 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.466 -10.847 -3.809 1.00 1.02 C ATOM 0 H VAL A 170 -8.285 -9.239 -2.252 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.057 -11.047 -1.079 1.00 0.77 H new ATOM 0 HB VAL A 170 -7.691 -11.617 -2.920 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.037 -13.523 -3.704 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -8.654 -13.646 -1.970 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.279 -13.138 -2.489 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -9.286 -11.321 -4.774 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.537 -10.826 -3.609 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.080 -9.828 -3.828 1.00 1.02 H new ATOM 784 N CYS A 171 -6.876 -11.508 -0.317 1.00 0.58 N ATOM 785 CA CYS A 171 -5.953 -12.182 0.575 1.00 0.59 C ATOM 786 C CYS A 171 -6.123 -11.706 2.022 1.00 0.57 C ATOM 787 O CYS A 171 -6.153 -12.515 2.953 1.00 0.66 O ATOM 788 CB CYS A 171 -4.539 -11.939 0.067 1.00 0.58 C ATOM 789 SG CYS A 171 -4.401 -12.140 -1.745 1.00 0.80 S ATOM 0 H CYS A 171 -6.431 -10.846 -0.953 1.00 0.58 H new ATOM 0 HA CYS A 171 -6.161 -13.252 0.581 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.226 -10.932 0.342 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -3.856 -12.631 0.559 1.00 0.58 H new ATOM 794 N TYR A 172 -6.258 -10.396 2.200 1.00 0.51 N ATOM 795 CA TYR A 172 -6.413 -9.801 3.525 1.00 0.59 C ATOM 796 C TYR A 172 -7.736 -10.214 4.160 1.00 0.67 C ATOM 797 O TYR A 172 -7.840 -10.310 5.380 1.00 0.76 O ATOM 798 CB TYR A 172 -6.322 -8.271 3.435 1.00 0.65 C ATOM 799 CG TYR A 172 -6.415 -7.558 4.768 1.00 0.89 C ATOM 800 CD1 TYR A 172 -5.329 -7.517 5.635 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.589 -6.924 5.158 1.00 1.24 C ATOM 802 CE1 TYR A 172 -5.411 -6.869 6.853 1.00 1.57 C ATOM 803 CE2 TYR A 172 -7.679 -6.276 6.375 1.00 1.45 C ATOM 804 CZ TYR A 172 -6.587 -6.248 7.216 1.00 1.48 C ATOM 805 OH TYR A 172 -6.676 -5.603 8.430 1.00 1.78 O ATOM 0 H TYR A 172 -6.263 -9.720 1.436 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.604 -10.167 4.157 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.379 -8.003 2.959 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.120 -7.909 2.787 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.405 -8.000 5.352 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.445 -6.938 4.499 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -4.559 -6.849 7.516 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -8.600 -5.794 6.666 1.00 1.45 H new ATOM 0 HH TYR A 172 -7.571 -5.217 8.531 1.00 1.78 H new ATOM 815 N ALA A 173 -8.740 -10.473 3.327 1.00 0.72 N ATOM 816 CA ALA A 173 -10.059 -10.881 3.804 1.00 0.87 C ATOM 817 C ALA A 173 -9.976 -12.152 4.646 1.00 0.91 C ATOM 818 O ALA A 173 -10.755 -12.348 5.577 1.00 1.05 O ATOM 819 CB ALA A 173 -11.006 -11.082 2.631 1.00 1.05 C ATOM 0 H ALA A 173 -8.665 -10.407 2.312 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.448 -10.085 4.439 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -11.985 -11.386 3.002 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.102 -10.148 2.077 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -10.611 -11.856 1.973 1.00 1.05 H new ATOM 825 N LYS A 174 -9.022 -13.005 4.318 1.00 0.89 N ATOM 826 CA LYS A 174 -8.814 -14.247 5.054 1.00 1.06 C ATOM 827 C LYS A 174 -7.862 -14.030 6.228 1.00 1.08 C ATOM 828 O LYS A 174 -7.679 -14.907 7.072 1.00 1.27 O ATOM 829 CB LYS A 174 -8.239 -15.306 4.114 1.00 1.17 C ATOM 830 CG LYS A 174 -9.154 -15.652 2.954 1.00 1.67 C ATOM 831 CD LYS A 174 -8.441 -16.506 1.923 1.00 2.21 C ATOM 832 CE LYS A 174 -7.423 -15.697 1.129 1.00 2.63 C ATOM 833 NZ LYS A 174 -6.657 -16.542 0.174 1.00 3.36 N ATOM 0 H LYS A 174 -8.374 -12.862 3.543 1.00 0.89 H new ATOM 0 HA LYS A 174 -9.773 -14.584 5.447 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -7.286 -14.951 3.721 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -8.031 -16.211 4.684 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -10.030 -16.183 3.326 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -9.512 -14.736 2.485 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -7.938 -17.335 2.422 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -9.172 -16.940 1.241 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -7.937 -14.907 0.581 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -6.731 -15.211 1.817 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -5.976 -15.950 -0.344 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -6.145 -17.281 0.697 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -7.313 -16.986 -0.500 1.00 3.36 H new ATOM 847 N ASN A 175 -7.249 -12.857 6.259 1.00 1.04 N ATOM 848 CA ASN A 175 -6.189 -12.552 7.215 1.00 1.24 C ATOM 849 C ASN A 175 -6.696 -11.814 8.464 1.00 1.33 C ATOM 850 O ASN A 175 -6.215 -12.058 9.570 1.00 1.56 O ATOM 851 CB ASN A 175 -5.117 -11.710 6.515 1.00 1.47 C ATOM 852 CG ASN A 175 -3.898 -11.459 7.380 1.00 1.90 C ATOM 853 OD1 ASN A 175 -3.823 -10.463 8.098 1.00 2.65 O ATOM 854 ND2 ASN A 175 -2.933 -12.360 7.310 1.00 2.25 N ATOM 0 H ASN A 175 -7.470 -12.089 5.625 1.00 1.04 H new ATOM 0 HA ASN A 175 -5.777 -13.500 7.560 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -4.808 -12.215 5.600 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.550 -10.754 6.221 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -2.085 -12.243 7.865 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -3.036 -13.172 6.701 1.00 2.25 H new ATOM 861 N PHE A 176 -7.672 -10.922 8.294 1.00 1.30 N ATOM 862 CA PHE A 176 -8.026 -9.973 9.356 1.00 1.58 C ATOM 863 C PHE A 176 -9.006 -10.544 10.387 1.00 2.55 C ATOM 864 O PHE A 176 -9.645 -9.789 11.118 1.00 3.04 O ATOM 865 CB PHE A 176 -8.602 -8.678 8.759 1.00 1.55 C ATOM 866 CG PHE A 176 -9.989 -8.807 8.186 1.00 2.24 C ATOM 867 CD1 PHE A 176 -10.182 -9.283 6.904 1.00 2.85 C ATOM 868 CD2 PHE A 176 -11.099 -8.435 8.929 1.00 2.73 C ATOM 869 CE1 PHE A 176 -11.452 -9.394 6.375 1.00 3.93 C ATOM 870 CE2 PHE A 176 -12.370 -8.545 8.406 1.00 3.72 C ATOM 871 CZ PHE A 176 -12.546 -9.024 7.125 1.00 4.32 C ATOM 0 H PHE A 176 -8.227 -10.835 7.443 1.00 1.30 H new ATOM 0 HA PHE A 176 -7.097 -9.760 9.884 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -8.614 -7.912 9.534 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -7.932 -8.327 7.975 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -9.329 -9.572 6.308 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -10.966 -8.054 9.931 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -11.588 -9.771 5.372 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -13.226 -8.257 8.998 1.00 3.72 H new ATOM 0 HZ PHE A 176 -13.540 -9.109 6.711 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -2.518 -11.059 -2.493 1.00 0.51 ZN HETATM 883 ZN ZN A 191 11.059 -4.839 -4.544 1.00 0.75 ZN