USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=12 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 Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -148:sc= 0 (180deg=-1.02) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -154:sc= 2.39 (180deg=0.95) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0.00439 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.1!) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ -171:sc= 1.15 (180deg=0.818) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.144 X(o=0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.260 3.123 0.533 1.00 0.89 N ATOM 2 CA LYS A 119 13.914 1.922 0.056 1.00 0.80 C ATOM 3 C LYS A 119 13.040 0.713 0.333 1.00 0.78 C ATOM 4 O LYS A 119 12.469 0.579 1.416 1.00 0.90 O ATOM 5 CB LYS A 119 15.292 1.742 0.703 1.00 0.93 C ATOM 6 CG LYS A 119 16.045 0.526 0.178 1.00 1.51 C ATOM 7 CD LYS A 119 17.506 0.533 0.591 1.00 1.54 C ATOM 8 CE LYS A 119 17.677 0.407 2.097 1.00 2.16 C ATOM 9 NZ LYS A 119 19.108 0.471 2.489 1.00 2.76 N ATOM 0 HA LYS A 119 14.062 2.020 -1.019 1.00 0.80 H new ATOM 0 HB2 LYS A 119 15.890 2.636 0.526 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.171 1.649 1.782 1.00 0.93 H new ATOM 0 HG2 LYS A 119 15.569 -0.382 0.549 1.00 1.51 H new ATOM 0 HG3 LYS A 119 15.977 0.500 -0.910 1.00 1.51 H new ATOM 0 HD2 LYS A 119 18.025 -0.289 0.098 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.974 1.456 0.250 1.00 1.54 H new ATOM 0 HE2 LYS A 119 17.126 1.205 2.595 1.00 2.16 H new ATOM 0 HE3 LYS A 119 17.248 -0.536 2.435 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 19.189 0.382 3.522 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 19.628 -0.305 2.033 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 19.510 1.381 2.187 1.00 2.76 H new ATOM 23 N CYS A 120 12.936 -0.148 -0.660 1.00 0.70 N ATOM 24 CA CYS A 120 12.130 -1.343 -0.568 1.00 0.72 C ATOM 25 C CYS A 120 12.843 -2.429 0.226 1.00 0.76 C ATOM 26 O CYS A 120 13.918 -2.893 -0.167 1.00 0.80 O ATOM 27 CB CYS A 120 11.822 -1.834 -1.975 1.00 0.67 C ATOM 28 SG CYS A 120 11.242 -3.550 -2.059 1.00 0.74 S ATOM 0 H CYS A 120 13.411 -0.035 -1.556 1.00 0.70 H new ATOM 0 HA CYS A 120 11.204 -1.109 -0.043 1.00 0.72 H new ATOM 0 HB2 CYS A 120 11.065 -1.185 -2.415 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.720 -1.736 -2.585 1.00 0.67 H new ATOM 33 N PRO A 121 12.247 -2.843 1.358 1.00 0.79 N ATOM 34 CA PRO A 121 12.771 -3.923 2.185 1.00 0.87 C ATOM 35 C PRO A 121 12.301 -5.293 1.705 1.00 0.90 C ATOM 36 O PRO A 121 12.571 -6.318 2.336 1.00 1.00 O ATOM 37 CB PRO A 121 12.187 -3.603 3.559 1.00 0.96 C ATOM 38 CG PRO A 121 10.869 -2.969 3.264 1.00 1.00 C ATOM 39 CD PRO A 121 11.011 -2.275 1.929 1.00 0.82 C ATOM 0 HA PRO A 121 13.859 -3.978 2.166 1.00 0.87 H new ATOM 0 HB2 PRO A 121 12.069 -4.505 4.160 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.835 -2.929 4.119 1.00 0.96 H new ATOM 0 HG2 PRO A 121 10.078 -3.718 3.229 1.00 1.00 H new ATOM 0 HG3 PRO A 121 10.599 -2.257 4.044 1.00 1.00 H new ATOM 0 HD2 PRO A 121 10.151 -2.466 1.287 1.00 0.82 H new ATOM 0 HD3 PRO A 121 11.087 -1.194 2.048 1.00 0.82 H new ATOM 47 N ARG A 122 11.585 -5.310 0.588 1.00 0.86 N ATOM 48 CA ARG A 122 11.109 -6.559 0.023 1.00 0.94 C ATOM 49 C ARG A 122 12.146 -7.117 -0.939 1.00 0.90 C ATOM 50 O ARG A 122 12.642 -8.227 -0.751 1.00 1.05 O ATOM 51 CB ARG A 122 9.773 -6.364 -0.697 1.00 0.98 C ATOM 52 CG ARG A 122 9.226 -7.640 -1.315 1.00 0.97 C ATOM 53 CD ARG A 122 8.955 -8.696 -0.255 1.00 1.11 C ATOM 54 NE ARG A 122 8.835 -10.031 -0.830 1.00 1.54 N ATOM 55 CZ ARG A 122 9.169 -11.145 -0.183 1.00 1.95 C ATOM 56 NH1 ARG A 122 9.562 -11.089 1.086 1.00 2.03 N ATOM 57 NH2 ARG A 122 9.085 -12.318 -0.790 1.00 2.82 N ATOM 0 H ARG A 122 11.324 -4.477 0.061 1.00 0.86 H new ATOM 0 HA ARG A 122 10.953 -7.267 0.837 1.00 0.94 H new ATOM 0 HB2 ARG A 122 9.043 -5.970 0.010 1.00 0.98 H new ATOM 0 HB3 ARG A 122 9.897 -5.615 -1.479 1.00 0.98 H new ATOM 0 HG2 ARG A 122 8.305 -7.419 -1.855 1.00 0.97 H new ATOM 0 HG3 ARG A 122 9.938 -8.028 -2.044 1.00 0.97 H new ATOM 0 HD2 ARG A 122 9.761 -8.689 0.478 1.00 1.11 H new ATOM 0 HD3 ARG A 122 8.037 -8.447 0.278 1.00 1.11 H new ATOM 0 HE ARG A 122 8.475 -10.116 -1.781 1.00 1.54 H new ATOM 0 HH11 ARG A 122 9.608 -10.190 1.566 1.00 2.03 H new ATOM 0 HH12 ARG A 122 9.817 -11.945 1.579 1.00 2.03 H new ATOM 0 HH21 ARG A 122 8.764 -12.370 -1.757 1.00 2.82 H new ATOM 0 HH22 ARG A 122 9.342 -13.170 -0.291 1.00 2.82 H new ATOM 71 N CYS A 123 12.481 -6.333 -1.957 1.00 0.76 N ATOM 72 CA CYS A 123 13.466 -6.753 -2.938 1.00 0.78 C ATOM 73 C CYS A 123 14.867 -6.312 -2.501 1.00 0.76 C ATOM 74 O CYS A 123 15.865 -6.962 -2.814 1.00 0.86 O ATOM 75 CB CYS A 123 13.134 -6.170 -4.316 1.00 0.77 C ATOM 76 SG CYS A 123 11.349 -6.134 -4.721 1.00 0.88 S ATOM 0 H CYS A 123 12.085 -5.407 -2.122 1.00 0.76 H new ATOM 0 HA CYS A 123 13.444 -7.841 -3.008 1.00 0.78 H new ATOM 0 HB2 CYS A 123 13.525 -5.154 -4.370 1.00 0.77 H new ATOM 0 HB3 CYS A 123 13.654 -6.752 -5.077 1.00 0.77 H new ATOM 81 N GLY A 124 14.924 -5.208 -1.757 1.00 0.70 N ATOM 82 CA GLY A 124 16.194 -4.692 -1.278 1.00 0.73 C ATOM 83 C GLY A 124 16.770 -3.641 -2.202 1.00 0.71 C ATOM 84 O GLY A 124 17.961 -3.656 -2.504 1.00 0.85 O ATOM 0 H GLY A 124 14.109 -4.661 -1.478 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.059 -4.265 -0.284 1.00 0.73 H new ATOM 0 HA3 GLY A 124 16.903 -5.513 -1.178 1.00 0.73 H new ATOM 88 N LYS A 125 15.922 -2.718 -2.643 1.00 0.61 N ATOM 89 CA LYS A 125 16.315 -1.713 -3.633 1.00 0.61 C ATOM 90 C LYS A 125 15.718 -0.357 -3.274 1.00 0.57 C ATOM 91 O LYS A 125 14.556 -0.276 -2.879 1.00 0.60 O ATOM 92 CB LYS A 125 15.823 -2.125 -5.025 1.00 0.63 C ATOM 93 CG LYS A 125 16.336 -3.473 -5.505 1.00 1.30 C ATOM 94 CD LYS A 125 17.813 -3.422 -5.849 1.00 1.71 C ATOM 95 CE LYS A 125 18.314 -4.774 -6.328 1.00 2.44 C ATOM 96 NZ LYS A 125 19.721 -4.706 -6.794 1.00 2.99 N ATOM 0 H LYS A 125 14.954 -2.642 -2.331 1.00 0.61 H new ATOM 0 HA LYS A 125 17.403 -1.640 -3.637 1.00 0.61 H new ATOM 0 HB2 LYS A 125 14.733 -2.147 -5.019 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.122 -1.361 -5.742 1.00 0.63 H new ATOM 0 HG2 LYS A 125 16.168 -4.222 -4.732 1.00 1.30 H new ATOM 0 HG3 LYS A 125 15.769 -3.787 -6.381 1.00 1.30 H new ATOM 0 HD2 LYS A 125 17.983 -2.674 -6.623 1.00 1.71 H new ATOM 0 HD3 LYS A 125 18.382 -3.110 -4.973 1.00 1.71 H new ATOM 0 HE2 LYS A 125 18.234 -5.499 -5.518 1.00 2.44 H new ATOM 0 HE3 LYS A 125 17.679 -5.130 -7.139 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 20.027 -5.647 -7.113 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 19.793 -4.033 -7.583 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 20.331 -4.390 -6.013 1.00 2.99 H new ATOM 110 N SER A 126 16.509 0.703 -3.411 1.00 0.66 N ATOM 111 CA SER A 126 16.035 2.057 -3.127 1.00 0.68 C ATOM 112 C SER A 126 14.941 2.470 -4.116 1.00 0.57 C ATOM 113 O SER A 126 14.979 2.092 -5.292 1.00 0.66 O ATOM 114 CB SER A 126 17.205 3.042 -3.178 1.00 0.89 C ATOM 115 OG SER A 126 18.208 2.686 -2.240 1.00 1.37 O ATOM 0 H SER A 126 17.481 0.652 -3.717 1.00 0.66 H new ATOM 0 HA SER A 126 15.606 2.071 -2.125 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.629 3.057 -4.182 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.847 4.050 -2.968 1.00 0.89 H new ATOM 0 HG SER A 126 18.947 3.328 -2.291 1.00 1.37 H new ATOM 121 N VAL A 127 13.965 3.240 -3.636 1.00 0.52 N ATOM 122 CA VAL A 127 12.806 3.607 -4.445 1.00 0.45 C ATOM 123 C VAL A 127 12.602 5.116 -4.452 1.00 0.58 C ATOM 124 O VAL A 127 12.712 5.772 -3.414 1.00 0.80 O ATOM 125 CB VAL A 127 11.512 2.952 -3.914 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.371 3.137 -4.902 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.724 1.480 -3.608 1.00 0.71 C ATOM 0 H VAL A 127 13.955 3.621 -2.690 1.00 0.52 H new ATOM 0 HA VAL A 127 13.007 3.250 -5.455 1.00 0.45 H new ATOM 0 HB VAL A 127 11.245 3.451 -2.982 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.469 2.668 -4.508 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.190 4.201 -5.054 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.635 2.675 -5.853 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.795 1.048 -3.236 1.00 0.71 H new ATOM 0 HG22 VAL A 127 12.028 0.960 -4.516 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.502 1.374 -2.851 1.00 0.71 H new ATOM 137 N TYR A 128 12.308 5.671 -5.623 1.00 0.60 N ATOM 138 CA TYR A 128 11.963 7.078 -5.718 1.00 0.78 C ATOM 139 C TYR A 128 10.695 7.292 -6.535 1.00 0.58 C ATOM 140 O TYR A 128 9.986 6.338 -6.844 1.00 0.48 O ATOM 141 CB TYR A 128 13.122 7.898 -6.281 1.00 1.14 C ATOM 142 CG TYR A 128 13.649 8.868 -5.261 1.00 2.06 C ATOM 143 CD1 TYR A 128 12.833 9.833 -4.694 1.00 2.76 C ATOM 144 CD2 TYR A 128 14.982 8.830 -4.890 1.00 2.80 C ATOM 145 CE1 TYR A 128 13.335 10.733 -3.776 1.00 3.69 C ATOM 146 CE2 TYR A 128 15.493 9.724 -3.981 1.00 3.75 C ATOM 147 CZ TYR A 128 14.574 10.632 -3.336 1.00 4.06 C ATOM 148 OH TYR A 128 15.181 11.576 -2.524 1.00 5.08 O ATOM 0 H TYR A 128 12.302 5.170 -6.511 1.00 0.60 H new ATOM 0 HA TYR A 128 11.765 7.430 -4.706 1.00 0.78 H new ATOM 0 HB2 TYR A 128 13.923 7.230 -6.599 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.790 8.441 -7.166 1.00 1.14 H new ATOM 0 HD1 TYR A 128 11.791 9.882 -4.974 1.00 2.76 H new ATOM 0 HD2 TYR A 128 15.632 8.084 -5.323 1.00 2.80 H new ATOM 0 HE1 TYR A 128 12.704 11.531 -3.413 1.00 3.69 H new ATOM 0 HE2 TYR A 128 16.549 9.747 -3.756 1.00 3.75 H new ATOM 0 HH TYR A 128 16.097 11.293 -2.322 1.00 5.08 H new ATOM 158 N ALA A 129 10.436 8.555 -6.886 1.00 0.69 N ATOM 159 CA ALA A 129 9.156 8.995 -7.458 1.00 0.74 C ATOM 160 C ALA A 129 8.632 8.083 -8.564 1.00 0.75 C ATOM 161 O ALA A 129 7.440 7.774 -8.596 1.00 0.87 O ATOM 162 CB ALA A 129 9.282 10.420 -7.978 1.00 0.95 C ATOM 0 H ALA A 129 11.114 9.310 -6.781 1.00 0.69 H new ATOM 0 HA ALA A 129 8.427 8.948 -6.649 1.00 0.74 H new ATOM 0 HB1 ALA A 129 8.329 10.739 -8.400 1.00 0.95 H new ATOM 0 HB2 ALA A 129 9.556 11.084 -7.158 1.00 0.95 H new ATOM 0 HB3 ALA A 129 10.052 10.459 -8.749 1.00 0.95 H new ATOM 168 N ALA A 130 9.520 7.648 -9.455 1.00 0.80 N ATOM 169 CA ALA A 130 9.128 6.824 -10.599 1.00 1.00 C ATOM 170 C ALA A 130 8.373 5.574 -10.169 1.00 0.91 C ATOM 171 O ALA A 130 7.424 5.158 -10.827 1.00 1.16 O ATOM 172 CB ALA A 130 10.348 6.435 -11.417 1.00 1.21 C ATOM 0 H ALA A 130 10.518 7.852 -9.408 1.00 0.80 H new ATOM 0 HA ALA A 130 8.457 7.424 -11.213 1.00 1.00 H new ATOM 0 HB1 ALA A 130 10.038 5.822 -12.264 1.00 1.21 H new ATOM 0 HB2 ALA A 130 10.843 7.335 -11.782 1.00 1.21 H new ATOM 0 HB3 ALA A 130 11.039 5.868 -10.793 1.00 1.21 H new ATOM 178 N GLU A 131 8.793 4.984 -9.060 1.00 0.68 N ATOM 179 CA GLU A 131 8.190 3.752 -8.574 1.00 0.65 C ATOM 180 C GLU A 131 7.449 3.970 -7.265 1.00 0.46 C ATOM 181 O GLU A 131 6.827 3.052 -6.752 1.00 0.50 O ATOM 182 CB GLU A 131 9.267 2.683 -8.374 1.00 0.87 C ATOM 183 CG GLU A 131 9.769 2.080 -9.669 1.00 1.41 C ATOM 184 CD GLU A 131 8.669 1.366 -10.419 1.00 1.70 C ATOM 185 OE1 GLU A 131 8.184 0.332 -9.918 1.00 1.99 O ATOM 186 OE2 GLU A 131 8.269 1.853 -11.495 1.00 2.44 O ATOM 0 H GLU A 131 9.551 5.340 -8.478 1.00 0.68 H new ATOM 0 HA GLU A 131 7.472 3.420 -9.324 1.00 0.65 H new ATOM 0 HB2 GLU A 131 10.108 3.122 -7.837 1.00 0.87 H new ATOM 0 HB3 GLU A 131 8.866 1.889 -7.744 1.00 0.87 H new ATOM 0 HG2 GLU A 131 10.187 2.866 -10.298 1.00 1.41 H new ATOM 0 HG3 GLU A 131 10.577 1.380 -9.455 1.00 1.41 H new ATOM 193 N LYS A 132 7.497 5.197 -6.754 1.00 0.44 N ATOM 194 CA LYS A 132 7.025 5.492 -5.406 1.00 0.42 C ATOM 195 C LYS A 132 5.533 5.202 -5.221 1.00 0.44 C ATOM 196 O LYS A 132 4.674 6.042 -5.495 1.00 0.58 O ATOM 197 CB LYS A 132 7.350 6.950 -5.025 1.00 0.55 C ATOM 198 CG LYS A 132 6.746 7.403 -3.703 1.00 0.65 C ATOM 199 CD LYS A 132 7.256 8.779 -3.294 1.00 1.05 C ATOM 200 CE LYS A 132 8.757 8.765 -3.033 1.00 1.58 C ATOM 201 NZ LYS A 132 9.251 10.057 -2.485 1.00 2.18 N ATOM 0 H LYS A 132 7.860 6.007 -7.257 1.00 0.44 H new ATOM 0 HA LYS A 132 7.558 4.821 -4.732 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.433 7.067 -4.975 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.994 7.608 -5.818 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.660 7.428 -3.789 1.00 0.65 H new ATOM 0 HG3 LYS A 132 6.988 6.679 -2.925 1.00 0.65 H new ATOM 0 HD2 LYS A 132 7.029 9.500 -4.079 1.00 1.05 H new ATOM 0 HD3 LYS A 132 6.733 9.110 -2.397 1.00 1.05 H new ATOM 0 HE2 LYS A 132 8.994 7.963 -2.334 1.00 1.58 H new ATOM 0 HE3 LYS A 132 9.282 8.543 -3.962 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 10.277 9.997 -2.325 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 9.051 10.821 -3.162 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 8.771 10.258 -1.584 1.00 2.18 H new ATOM 215 N VAL A 133 5.251 3.983 -4.789 1.00 0.39 N ATOM 216 CA VAL A 133 3.947 3.604 -4.273 1.00 0.44 C ATOM 217 C VAL A 133 4.099 3.298 -2.789 1.00 0.44 C ATOM 218 O VAL A 133 4.696 2.295 -2.407 1.00 0.50 O ATOM 219 CB VAL A 133 3.349 2.393 -5.028 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.756 2.839 -6.353 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.404 1.325 -5.265 1.00 0.88 C ATOM 0 H VAL A 133 5.929 3.221 -4.787 1.00 0.39 H new ATOM 0 HA VAL A 133 3.250 4.428 -4.423 1.00 0.44 H new ATOM 0 HB VAL A 133 2.560 1.966 -4.410 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.339 1.977 -6.874 1.00 1.02 H new ATOM 0 HG12 VAL A 133 1.968 3.570 -6.171 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.535 3.291 -6.967 1.00 1.02 H new ATOM 0 HG21 VAL A 133 3.958 0.485 -5.797 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.216 1.742 -5.860 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.795 0.981 -4.307 1.00 0.88 H new ATOM 231 N MET A 134 3.608 4.198 -1.959 1.00 0.54 N ATOM 232 CA MET A 134 3.870 4.146 -0.531 1.00 0.60 C ATOM 233 C MET A 134 3.168 2.984 0.149 1.00 0.57 C ATOM 234 O MET A 134 1.957 3.014 0.379 1.00 0.75 O ATOM 235 CB MET A 134 3.472 5.461 0.131 1.00 0.83 C ATOM 236 CG MET A 134 4.412 6.595 -0.214 1.00 1.14 C ATOM 237 SD MET A 134 4.040 8.112 0.679 1.00 1.65 S ATOM 238 CE MET A 134 5.499 9.061 0.282 1.00 1.78 C ATOM 0 H MET A 134 3.021 4.980 -2.250 1.00 0.54 H new ATOM 0 HA MET A 134 4.942 3.989 -0.411 1.00 0.60 H new ATOM 0 HB2 MET A 134 2.460 5.726 -0.176 1.00 0.83 H new ATOM 0 HB3 MET A 134 3.452 5.327 1.213 1.00 0.83 H new ATOM 0 HG2 MET A 134 5.435 6.291 0.007 1.00 1.14 H new ATOM 0 HG3 MET A 134 4.361 6.789 -1.285 1.00 1.14 H new ATOM 0 HE1 MET A 134 5.741 9.722 1.114 1.00 1.78 H new ATOM 0 HE2 MET A 134 6.335 8.385 0.101 1.00 1.78 H new ATOM 0 HE3 MET A 134 5.314 9.657 -0.612 1.00 1.78 H new ATOM 248 N GLY A 135 3.944 1.958 0.461 1.00 0.50 N ATOM 249 CA GLY A 135 3.451 0.881 1.279 1.00 0.61 C ATOM 250 C GLY A 135 3.718 1.169 2.739 1.00 0.70 C ATOM 251 O GLY A 135 4.878 1.264 3.151 1.00 0.77 O ATOM 0 H GLY A 135 4.913 1.856 0.158 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.381 0.752 1.116 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.933 -0.054 0.991 1.00 0.61 H new ATOM 255 N GLY A 136 2.658 1.388 3.506 1.00 0.85 N ATOM 256 CA GLY A 136 2.803 1.690 4.922 1.00 1.03 C ATOM 257 C GLY A 136 3.197 3.134 5.174 1.00 1.08 C ATOM 258 O GLY A 136 2.897 3.697 6.226 1.00 1.72 O ATOM 0 H GLY A 136 1.694 1.362 3.173 1.00 0.85 H new ATOM 0 HA2 GLY A 136 1.863 1.479 5.433 1.00 1.03 H new ATOM 0 HA3 GLY A 136 3.556 1.031 5.355 1.00 1.03 H new ATOM 262 N GLY A 137 3.863 3.737 4.200 1.00 0.94 N ATOM 263 CA GLY A 137 4.317 5.105 4.337 1.00 0.98 C ATOM 264 C GLY A 137 5.612 5.349 3.589 1.00 0.87 C ATOM 265 O GLY A 137 6.031 6.492 3.416 1.00 1.04 O ATOM 0 H GLY A 137 4.099 3.298 3.310 1.00 0.94 H new ATOM 0 HA2 GLY A 137 3.549 5.782 3.963 1.00 0.98 H new ATOM 0 HA3 GLY A 137 4.459 5.336 5.393 1.00 0.98 H new ATOM 269 N LYS A 138 6.255 4.274 3.152 1.00 0.71 N ATOM 270 CA LYS A 138 7.498 4.386 2.398 1.00 0.71 C ATOM 271 C LYS A 138 7.293 3.879 0.976 1.00 0.53 C ATOM 272 O LYS A 138 6.565 2.914 0.760 1.00 0.52 O ATOM 273 CB LYS A 138 8.612 3.590 3.080 1.00 0.92 C ATOM 274 CG LYS A 138 8.931 4.065 4.492 1.00 1.15 C ATOM 275 CD LYS A 138 9.373 5.521 4.505 1.00 1.46 C ATOM 276 CE LYS A 138 9.623 6.015 5.922 1.00 2.11 C ATOM 277 NZ LYS A 138 9.937 7.468 5.958 1.00 2.69 N ATOM 0 H LYS A 138 5.938 3.317 3.306 1.00 0.71 H new ATOM 0 HA LYS A 138 7.790 5.436 2.365 1.00 0.71 H new ATOM 0 HB2 LYS A 138 8.325 2.539 3.116 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.515 3.653 2.473 1.00 0.92 H new ATOM 0 HG2 LYS A 138 8.051 3.945 5.125 1.00 1.15 H new ATOM 0 HG3 LYS A 138 9.717 3.441 4.918 1.00 1.15 H new ATOM 0 HD2 LYS A 138 10.282 5.632 3.914 1.00 1.46 H new ATOM 0 HD3 LYS A 138 8.609 6.139 4.033 1.00 1.46 H new ATOM 0 HE2 LYS A 138 8.743 5.819 6.535 1.00 2.11 H new ATOM 0 HE3 LYS A 138 10.449 5.455 6.361 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 10.100 7.764 6.942 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 10.791 7.653 5.394 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 9.139 8.005 5.563 1.00 2.69 H new ATOM 291 N PRO A 139 7.895 4.554 -0.017 1.00 0.51 N ATOM 292 CA PRO A 139 7.836 4.132 -1.420 1.00 0.46 C ATOM 293 C PRO A 139 8.330 2.708 -1.640 1.00 0.39 C ATOM 294 O PRO A 139 9.483 2.388 -1.355 1.00 0.51 O ATOM 295 CB PRO A 139 8.768 5.118 -2.139 1.00 0.60 C ATOM 296 CG PRO A 139 9.563 5.762 -1.059 1.00 0.72 C ATOM 297 CD PRO A 139 8.657 5.801 0.131 1.00 0.63 C ATOM 0 HA PRO A 139 6.809 4.137 -1.784 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.414 4.602 -2.849 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.199 5.857 -2.703 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.468 5.194 -0.845 1.00 0.72 H new ATOM 0 HG3 PRO A 139 9.877 6.765 -1.347 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.215 5.828 1.067 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.009 6.678 0.121 1.00 0.63 H new ATOM 305 N TRP A 140 7.443 1.864 -2.132 1.00 0.34 N ATOM 306 CA TRP A 140 7.802 0.524 -2.558 1.00 0.33 C ATOM 307 C TRP A 140 7.856 0.489 -4.078 1.00 0.31 C ATOM 308 O TRP A 140 7.669 1.516 -4.723 1.00 0.38 O ATOM 309 CB TRP A 140 6.780 -0.489 -2.039 1.00 0.40 C ATOM 310 CG TRP A 140 6.982 -0.865 -0.603 1.00 0.44 C ATOM 311 CD1 TRP A 140 7.159 -0.024 0.456 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.025 -2.190 -0.073 1.00 0.51 C ATOM 313 NE1 TRP A 140 7.316 -0.748 1.611 1.00 0.61 N ATOM 314 CE2 TRP A 140 7.237 -2.082 1.312 1.00 0.58 C ATOM 315 CE3 TRP A 140 6.901 -3.457 -0.639 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.336 -3.197 2.140 1.00 0.69 C ATOM 317 CZ3 TRP A 140 7.000 -4.566 0.180 1.00 0.76 C ATOM 318 CH2 TRP A 140 7.212 -4.431 1.558 1.00 0.78 C ATOM 0 H TRP A 140 6.454 2.087 -2.248 1.00 0.34 H new ATOM 0 HA TRP A 140 8.778 0.260 -2.152 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.778 -0.076 -2.160 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.830 -1.389 -2.652 1.00 0.40 H new ATOM 0 HD1 TRP A 140 7.173 1.054 0.395 1.00 0.54 H new ATOM 0 HE1 TRP A 140 7.467 -0.356 2.541 1.00 0.61 H new ATOM 0 HE3 TRP A 140 6.730 -3.571 -1.699 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 7.504 -3.093 3.202 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 6.912 -5.553 -0.250 1.00 0.76 H new ATOM 0 HH2 TRP A 140 7.279 -5.316 2.173 1.00 0.78 H new ATOM 329 N HIS A 141 8.101 -0.677 -4.652 1.00 0.34 N ATOM 330 CA HIS A 141 8.151 -0.797 -6.104 1.00 0.34 C ATOM 331 C HIS A 141 6.768 -1.132 -6.628 1.00 0.40 C ATOM 332 O HIS A 141 6.011 -1.823 -5.950 1.00 0.51 O ATOM 333 CB HIS A 141 9.128 -1.894 -6.536 1.00 0.42 C ATOM 334 CG HIS A 141 10.553 -1.652 -6.135 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.328 -2.634 -5.555 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.305 -0.535 -6.283 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.519 -2.098 -5.363 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.555 -0.824 -5.790 1.00 0.72 N ATOM 0 H HIS A 141 8.267 -1.546 -4.144 1.00 0.34 H new ATOM 0 HA HIS A 141 8.494 0.153 -6.513 1.00 0.34 H new ATOM 0 HB2 HIS A 141 8.800 -2.843 -6.111 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.082 -1.998 -7.620 1.00 0.42 H new ATOM 0 HD2 HIS A 141 10.983 0.404 -6.708 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.357 -2.616 -4.920 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.356 -0.193 -5.755 1.00 0.72 H new ATOM 346 N LYS A 142 6.426 -0.658 -7.823 1.00 0.49 N ATOM 347 CA LYS A 142 5.133 -1.001 -8.420 1.00 0.65 C ATOM 348 C LYS A 142 4.977 -2.514 -8.515 1.00 0.71 C ATOM 349 O LYS A 142 3.871 -3.045 -8.409 1.00 0.89 O ATOM 350 CB LYS A 142 4.969 -0.407 -9.820 1.00 0.85 C ATOM 351 CG LYS A 142 5.042 1.110 -9.886 1.00 1.52 C ATOM 352 CD LYS A 142 4.413 1.625 -11.171 1.00 1.88 C ATOM 353 CE LYS A 142 4.765 3.080 -11.430 1.00 2.60 C ATOM 354 NZ LYS A 142 6.105 3.223 -12.059 1.00 3.19 N ATOM 0 H LYS A 142 7.012 -0.046 -8.391 1.00 0.49 H new ATOM 0 HA LYS A 142 4.366 -0.579 -7.770 1.00 0.65 H new ATOM 0 HB2 LYS A 142 5.742 -0.822 -10.467 1.00 0.85 H new ATOM 0 HB3 LYS A 142 4.009 -0.728 -10.224 1.00 0.85 H new ATOM 0 HG2 LYS A 142 4.529 1.541 -9.026 1.00 1.52 H new ATOM 0 HG3 LYS A 142 6.082 1.431 -9.831 1.00 1.52 H new ATOM 0 HD2 LYS A 142 4.749 1.015 -12.010 1.00 1.88 H new ATOM 0 HD3 LYS A 142 3.330 1.518 -11.113 1.00 1.88 H new ATOM 0 HE2 LYS A 142 4.010 3.526 -12.078 1.00 2.60 H new ATOM 0 HE3 LYS A 142 4.745 3.631 -10.490 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 6.499 4.158 -11.828 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 6.739 2.482 -11.698 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 6.016 3.130 -13.091 1.00 3.19 H new ATOM 368 N THR A 143 6.092 -3.197 -8.717 1.00 0.69 N ATOM 369 CA THR A 143 6.091 -4.641 -8.860 1.00 0.84 C ATOM 370 C THR A 143 5.769 -5.340 -7.537 1.00 0.84 C ATOM 371 O THR A 143 4.855 -6.158 -7.473 1.00 1.10 O ATOM 372 CB THR A 143 7.446 -5.140 -9.391 1.00 0.95 C ATOM 373 OG1 THR A 143 7.750 -4.486 -10.634 1.00 1.38 O ATOM 374 CG2 THR A 143 7.430 -6.646 -9.604 1.00 1.47 C ATOM 0 H THR A 143 7.015 -2.769 -8.786 1.00 0.69 H new ATOM 0 HA THR A 143 5.310 -4.890 -9.579 1.00 0.84 H new ATOM 0 HB THR A 143 8.209 -4.903 -8.650 1.00 0.95 H new ATOM 0 HG1 THR A 143 8.614 -4.805 -10.969 1.00 1.38 H new ATOM 0 HG21 THR A 143 8.400 -6.971 -9.980 1.00 1.47 H new ATOM 0 HG22 THR A 143 7.222 -7.145 -8.658 1.00 1.47 H new ATOM 0 HG23 THR A 143 6.656 -6.903 -10.328 1.00 1.47 H new ATOM 382 N CYS A 144 6.504 -5.006 -6.482 1.00 0.68 N ATOM 383 CA CYS A 144 6.357 -5.698 -5.209 1.00 0.76 C ATOM 384 C CYS A 144 5.272 -5.069 -4.347 1.00 0.81 C ATOM 385 O CYS A 144 5.020 -5.528 -3.229 1.00 0.96 O ATOM 386 CB CYS A 144 7.668 -5.664 -4.463 1.00 0.73 C ATOM 387 SG CYS A 144 8.272 -3.976 -4.242 1.00 1.14 S ATOM 0 H CYS A 144 7.204 -4.264 -6.484 1.00 0.68 H new ATOM 0 HA CYS A 144 6.067 -6.727 -5.420 1.00 0.76 H new ATOM 0 HB2 CYS A 144 7.544 -6.136 -3.488 1.00 0.73 H new ATOM 0 HB3 CYS A 144 8.411 -6.247 -5.007 1.00 0.73 H new ATOM 392 N PHE A 145 4.672 -3.996 -4.848 1.00 0.80 N ATOM 393 CA PHE A 145 3.485 -3.424 -4.239 1.00 0.86 C ATOM 394 C PHE A 145 2.366 -4.442 -4.379 1.00 0.79 C ATOM 395 O PHE A 145 1.512 -4.334 -5.252 1.00 0.81 O ATOM 396 CB PHE A 145 3.126 -2.111 -4.939 1.00 0.94 C ATOM 397 CG PHE A 145 2.270 -1.183 -4.126 1.00 0.97 C ATOM 398 CD1 PHE A 145 2.704 -0.722 -2.893 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.042 -0.756 -4.604 1.00 1.05 C ATOM 400 CE1 PHE A 145 1.927 0.147 -2.152 1.00 1.10 C ATOM 401 CE2 PHE A 145 0.265 0.116 -3.871 1.00 1.13 C ATOM 402 CZ PHE A 145 0.707 0.567 -2.642 1.00 1.13 C ATOM 0 H PHE A 145 4.994 -3.504 -5.681 1.00 0.80 H new ATOM 0 HA PHE A 145 3.652 -3.200 -3.185 1.00 0.86 H new ATOM 0 HB2 PHE A 145 4.047 -1.594 -5.207 1.00 0.94 H new ATOM 0 HB3 PHE A 145 2.607 -2.341 -5.870 1.00 0.94 H new ATOM 0 HD1 PHE A 145 3.660 -1.046 -2.508 1.00 1.03 H new ATOM 0 HD2 PHE A 145 0.689 -1.110 -5.561 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.274 0.497 -1.191 1.00 1.10 H new ATOM 0 HE2 PHE A 145 -0.688 0.446 -4.257 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.098 1.248 -2.065 1.00 1.13 H new ATOM 412 N ARG A 146 2.422 -5.450 -3.525 1.00 0.76 N ATOM 413 CA ARG A 146 1.658 -6.663 -3.693 1.00 0.69 C ATOM 414 C ARG A 146 1.715 -7.470 -2.408 1.00 0.66 C ATOM 415 O ARG A 146 2.460 -7.116 -1.488 1.00 0.95 O ATOM 416 CB ARG A 146 2.283 -7.477 -4.833 1.00 0.77 C ATOM 417 CG ARG A 146 3.602 -8.145 -4.469 1.00 1.08 C ATOM 418 CD ARG A 146 4.384 -8.573 -5.699 1.00 1.13 C ATOM 419 NE ARG A 146 3.682 -9.569 -6.510 1.00 1.61 N ATOM 420 CZ ARG A 146 3.656 -9.551 -7.842 1.00 1.86 C ATOM 421 NH1 ARG A 146 4.177 -8.533 -8.505 1.00 1.73 N ATOM 422 NH2 ARG A 146 3.096 -10.542 -8.514 1.00 2.78 N ATOM 0 H ARG A 146 3.006 -5.444 -2.689 1.00 0.76 H new ATOM 0 HA ARG A 146 0.620 -6.427 -3.927 1.00 0.69 H new ATOM 0 HB2 ARG A 146 1.575 -8.243 -5.149 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.444 -6.820 -5.688 1.00 0.77 H new ATOM 0 HG2 ARG A 146 4.206 -7.456 -3.878 1.00 1.08 H new ATOM 0 HG3 ARG A 146 3.406 -9.016 -3.843 1.00 1.08 H new ATOM 0 HD2 ARG A 146 4.593 -7.696 -6.312 1.00 1.13 H new ATOM 0 HD3 ARG A 146 5.346 -8.980 -5.387 1.00 1.13 H new ATOM 0 HE ARG A 146 3.185 -10.319 -6.029 1.00 1.61 H new ATOM 0 HH11 ARG A 146 4.601 -7.757 -7.997 1.00 1.73 H new ATOM 0 HH12 ARG A 146 4.155 -8.524 -9.525 1.00 1.73 H new ATOM 0 HH21 ARG A 146 2.680 -11.327 -8.013 1.00 2.78 H new ATOM 0 HH22 ARG A 146 3.080 -10.522 -9.534 1.00 2.78 H new ATOM 436 N CYS A 147 0.952 -8.544 -2.336 1.00 0.42 N ATOM 437 CA CYS A 147 1.093 -9.462 -1.232 1.00 0.43 C ATOM 438 C CYS A 147 1.741 -10.748 -1.723 1.00 0.52 C ATOM 439 O CYS A 147 1.337 -11.326 -2.749 1.00 0.53 O ATOM 440 CB CYS A 147 -0.244 -9.741 -0.555 1.00 0.43 C ATOM 441 SG CYS A 147 -0.844 -11.443 -0.730 1.00 0.68 S ATOM 0 H CYS A 147 0.239 -8.797 -3.020 1.00 0.42 H new ATOM 0 HA CYS A 147 1.735 -9.004 -0.479 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.153 -9.510 0.506 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -0.992 -9.063 -0.966 1.00 0.43 H new ATOM 446 N ALA A 148 2.786 -11.151 -1.014 1.00 0.67 N ATOM 447 CA ALA A 148 3.514 -12.370 -1.326 1.00 0.82 C ATOM 448 C ALA A 148 2.749 -13.617 -0.883 1.00 0.84 C ATOM 449 O ALA A 148 3.255 -14.735 -1.004 1.00 0.98 O ATOM 450 CB ALA A 148 4.897 -12.336 -0.690 1.00 1.02 C ATOM 0 H ALA A 148 3.151 -10.643 -0.209 1.00 0.67 H new ATOM 0 HA ALA A 148 3.623 -12.423 -2.409 1.00 0.82 H new ATOM 0 HB1 ALA A 148 5.431 -13.255 -0.932 1.00 1.02 H new ATOM 0 HB2 ALA A 148 5.453 -11.481 -1.074 1.00 1.02 H new ATOM 0 HB3 ALA A 148 4.798 -12.248 0.392 1.00 1.02 H new ATOM 456 N ILE A 149 1.539 -13.435 -0.361 1.00 0.76 N ATOM 457 CA ILE A 149 0.727 -14.569 0.063 1.00 0.84 C ATOM 458 C ILE A 149 0.163 -15.284 -1.156 1.00 0.85 C ATOM 459 O ILE A 149 0.130 -16.515 -1.209 1.00 1.00 O ATOM 460 CB ILE A 149 -0.423 -14.154 1.012 1.00 0.82 C ATOM 461 CG1 ILE A 149 0.141 -13.572 2.313 1.00 0.86 C ATOM 462 CG2 ILE A 149 -1.331 -15.345 1.307 1.00 0.97 C ATOM 463 CD1 ILE A 149 -0.923 -13.193 3.321 1.00 1.02 C ATOM 0 H ILE A 149 1.104 -12.523 -0.223 1.00 0.76 H new ATOM 0 HA ILE A 149 1.377 -15.242 0.622 1.00 0.84 H new ATOM 0 HB ILE A 149 -1.017 -13.385 0.519 1.00 0.82 H new ATOM 0 HG12 ILE A 149 0.814 -14.301 2.765 1.00 0.86 H new ATOM 0 HG13 ILE A 149 0.737 -12.690 2.078 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -2.134 -15.034 1.976 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -1.758 -15.716 0.376 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -0.750 -16.137 1.781 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -0.449 -12.789 4.216 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -1.583 -12.441 2.888 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -1.504 -14.076 3.586 1.00 1.02 H new ATOM 475 N CYS A 150 -0.254 -14.516 -2.153 1.00 0.73 N ATOM 476 CA CYS A 150 -0.755 -15.091 -3.379 1.00 0.79 C ATOM 477 C CYS A 150 0.260 -14.862 -4.480 1.00 0.75 C ATOM 478 O CYS A 150 0.392 -15.654 -5.420 1.00 0.87 O ATOM 479 CB CYS A 150 -2.076 -14.438 -3.754 1.00 0.78 C ATOM 480 SG CYS A 150 -1.918 -12.660 -4.095 1.00 0.82 S ATOM 0 H CYS A 150 -0.253 -13.496 -2.131 1.00 0.73 H new ATOM 0 HA CYS A 150 -0.917 -16.160 -3.243 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -2.484 -14.936 -4.633 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -2.790 -14.585 -2.944 1.00 0.78 H new ATOM 485 N GLY A 151 0.988 -13.767 -4.330 1.00 0.66 N ATOM 486 CA GLY A 151 1.916 -13.340 -5.339 1.00 0.70 C ATOM 487 C GLY A 151 1.250 -12.426 -6.343 1.00 0.66 C ATOM 488 O GLY A 151 1.576 -12.463 -7.526 1.00 0.76 O ATOM 0 H GLY A 151 0.946 -13.161 -3.510 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.753 -12.822 -4.871 1.00 0.70 H new ATOM 0 HA3 GLY A 151 2.326 -14.210 -5.851 1.00 0.70 H new ATOM 492 N LYS A 152 0.309 -11.612 -5.874 1.00 0.58 N ATOM 493 CA LYS A 152 -0.435 -10.728 -6.763 1.00 0.64 C ATOM 494 C LYS A 152 -0.160 -9.263 -6.458 1.00 0.56 C ATOM 495 O LYS A 152 -0.156 -8.859 -5.299 1.00 0.50 O ATOM 496 CB LYS A 152 -1.933 -10.989 -6.653 1.00 0.80 C ATOM 497 CG LYS A 152 -2.782 -10.093 -7.528 1.00 0.89 C ATOM 498 CD LYS A 152 -4.248 -10.263 -7.200 1.00 1.39 C ATOM 499 CE LYS A 152 -5.125 -9.439 -8.123 1.00 1.75 C ATOM 500 NZ LYS A 152 -6.562 -9.576 -7.777 1.00 2.37 N ATOM 0 H LYS A 152 0.045 -11.547 -4.891 1.00 0.58 H new ATOM 0 HA LYS A 152 -0.100 -10.941 -7.778 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -2.130 -12.028 -6.916 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.238 -10.860 -5.615 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -2.490 -9.053 -7.384 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.609 -10.331 -8.578 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -4.520 -11.315 -7.282 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -4.427 -9.967 -6.166 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -4.834 -8.390 -8.062 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.967 -9.755 -9.154 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -7.132 -8.999 -8.428 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -6.845 -10.573 -7.859 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -6.717 -9.251 -6.801 1.00 2.37 H new ATOM 514 N SER A 153 0.045 -8.476 -7.512 1.00 0.67 N ATOM 515 CA SER A 153 0.332 -7.052 -7.382 1.00 0.73 C ATOM 516 C SER A 153 -0.928 -6.246 -7.048 1.00 0.76 C ATOM 517 O SER A 153 -2.049 -6.637 -7.392 1.00 0.94 O ATOM 518 CB SER A 153 0.967 -6.531 -8.671 1.00 0.91 C ATOM 519 OG SER A 153 0.174 -6.855 -9.800 1.00 1.46 O ATOM 0 H SER A 153 0.017 -8.807 -8.476 1.00 0.67 H new ATOM 0 HA SER A 153 1.031 -6.925 -6.555 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.090 -5.450 -8.608 1.00 0.91 H new ATOM 0 HB3 SER A 153 1.963 -6.959 -8.788 1.00 0.91 H new ATOM 0 HG SER A 153 0.602 -6.509 -10.611 1.00 1.46 H new ATOM 525 N LEU A 154 -0.728 -5.116 -6.385 1.00 0.71 N ATOM 526 CA LEU A 154 -1.821 -4.283 -5.911 1.00 0.76 C ATOM 527 C LEU A 154 -1.844 -2.939 -6.621 1.00 0.92 C ATOM 528 O LEU A 154 -0.813 -2.451 -7.094 1.00 1.13 O ATOM 529 CB LEU A 154 -1.673 -4.058 -4.407 1.00 0.70 C ATOM 530 CG LEU A 154 -1.713 -5.325 -3.562 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.484 -5.001 -2.094 1.00 0.85 C ATOM 532 CD2 LEU A 154 -3.040 -6.027 -3.763 1.00 0.86 C ATOM 0 H LEU A 154 0.198 -4.752 -6.161 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.757 -4.798 -6.126 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -0.729 -3.545 -4.222 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -2.469 -3.391 -4.074 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.911 -5.991 -3.881 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -1.517 -5.920 -1.509 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.509 -4.529 -1.973 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -2.262 -4.322 -1.746 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -3.067 -6.933 -3.158 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.851 -5.365 -3.461 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -3.157 -6.289 -4.815 1.00 0.86 H new ATOM 544 N GLU A 155 -3.027 -2.344 -6.684 1.00 1.24 N ATOM 545 CA GLU A 155 -3.195 -1.024 -7.257 1.00 1.53 C ATOM 546 C GLU A 155 -3.341 0.014 -6.149 1.00 1.73 C ATOM 547 O GLU A 155 -3.300 -0.320 -4.964 1.00 2.45 O ATOM 548 CB GLU A 155 -4.406 -0.996 -8.191 1.00 1.96 C ATOM 549 CG GLU A 155 -4.178 -1.737 -9.496 1.00 2.39 C ATOM 550 CD GLU A 155 -3.073 -1.108 -10.318 1.00 3.01 C ATOM 551 OE1 GLU A 155 -3.335 -0.086 -10.989 1.00 3.46 O ATOM 552 OE2 GLU A 155 -1.936 -1.618 -10.292 1.00 3.54 O ATOM 0 H GLU A 155 -3.891 -2.764 -6.340 1.00 1.24 H new ATOM 0 HA GLU A 155 -2.309 -0.780 -7.844 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -5.262 -1.434 -7.678 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -4.663 0.040 -8.410 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -3.926 -2.776 -9.284 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -5.101 -1.745 -10.075 1.00 2.39 H new ATOM 559 N SER A 156 -3.538 1.262 -6.548 1.00 1.83 N ATOM 560 CA SER A 156 -3.308 2.409 -5.676 1.00 2.22 C ATOM 561 C SER A 156 -4.275 2.510 -4.491 1.00 1.96 C ATOM 562 O SER A 156 -3.940 3.143 -3.488 1.00 2.65 O ATOM 563 CB SER A 156 -3.364 3.696 -6.498 1.00 3.04 C ATOM 564 OG SER A 156 -2.466 3.637 -7.598 1.00 3.58 O ATOM 0 H SER A 156 -3.861 1.510 -7.483 1.00 1.83 H new ATOM 0 HA SER A 156 -2.319 2.263 -5.242 1.00 2.22 H new ATOM 0 HB2 SER A 156 -4.379 3.856 -6.861 1.00 3.04 H new ATOM 0 HB3 SER A 156 -3.114 4.547 -5.865 1.00 3.04 H new ATOM 0 HG SER A 156 -2.521 4.471 -8.110 1.00 3.58 H new ATOM 570 N THR A 157 -5.460 1.909 -4.587 1.00 1.62 N ATOM 571 CA THR A 157 -6.446 2.054 -3.518 1.00 1.69 C ATOM 572 C THR A 157 -6.823 0.715 -2.880 1.00 1.51 C ATOM 573 O THR A 157 -7.212 0.672 -1.713 1.00 2.11 O ATOM 574 CB THR A 157 -7.724 2.785 -4.010 1.00 2.15 C ATOM 575 OG1 THR A 157 -8.577 3.093 -2.902 1.00 2.66 O ATOM 576 CG2 THR A 157 -8.499 1.952 -5.021 1.00 2.67 C ATOM 0 H THR A 157 -5.756 1.331 -5.373 1.00 1.62 H new ATOM 0 HA THR A 157 -5.967 2.664 -2.752 1.00 1.69 H new ATOM 0 HB THR A 157 -7.402 3.705 -4.498 1.00 2.15 H new ATOM 0 HG1 THR A 157 -9.379 3.555 -3.225 1.00 2.66 H new ATOM 0 HG21 THR A 157 -9.386 2.499 -5.340 1.00 2.67 H new ATOM 0 HG22 THR A 157 -7.867 1.749 -5.886 1.00 2.67 H new ATOM 0 HG23 THR A 157 -8.800 1.010 -4.562 1.00 2.67 H new ATOM 584 N ASN A 158 -6.699 -0.384 -3.619 1.00 1.17 N ATOM 585 CA ASN A 158 -7.077 -1.688 -3.075 1.00 1.14 C ATOM 586 C ASN A 158 -5.943 -2.269 -2.236 1.00 0.94 C ATOM 587 O ASN A 158 -6.030 -3.395 -1.743 1.00 1.16 O ATOM 588 CB ASN A 158 -7.484 -2.674 -4.182 1.00 1.38 C ATOM 589 CG ASN A 158 -6.308 -3.273 -4.934 1.00 1.61 C ATOM 590 OD1 ASN A 158 -5.831 -2.711 -5.917 1.00 2.30 O ATOM 591 ND2 ASN A 158 -5.849 -4.436 -4.496 1.00 2.09 N ATOM 0 H ASN A 158 -6.348 -0.402 -4.576 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.946 -1.534 -2.436 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -8.069 -3.480 -3.740 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -8.133 -2.161 -4.891 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -5.075 -4.893 -4.978 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -6.269 -4.874 -3.676 1.00 2.09 H new ATOM 598 N VAL A 159 -4.890 -1.484 -2.067 1.00 0.79 N ATOM 599 CA VAL A 159 -3.740 -1.901 -1.285 1.00 0.72 C ATOM 600 C VAL A 159 -3.982 -1.702 0.202 1.00 0.69 C ATOM 601 O VAL A 159 -4.515 -0.676 0.635 1.00 0.83 O ATOM 602 CB VAL A 159 -2.457 -1.146 -1.700 1.00 0.94 C ATOM 603 CG1 VAL A 159 -2.643 0.367 -1.620 1.00 1.27 C ATOM 604 CG2 VAL A 159 -1.272 -1.591 -0.856 1.00 1.59 C ATOM 0 H VAL A 159 -4.810 -0.548 -2.465 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.598 -2.963 -1.486 1.00 0.72 H new ATOM 0 HB VAL A 159 -2.251 -1.396 -2.741 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -1.720 0.863 -1.919 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -3.450 0.670 -2.287 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -2.892 0.649 -0.597 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -0.380 -1.047 -1.166 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.476 -1.386 0.195 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -1.110 -2.660 -0.992 1.00 1.59 H new ATOM 614 N THR A 160 -3.614 -2.699 0.981 1.00 0.62 N ATOM 615 CA THR A 160 -3.644 -2.579 2.418 1.00 0.67 C ATOM 616 C THR A 160 -2.303 -3.038 2.991 1.00 0.70 C ATOM 617 O THR A 160 -1.607 -3.837 2.368 1.00 0.81 O ATOM 618 CB THR A 160 -4.808 -3.400 3.015 1.00 0.71 C ATOM 619 OG1 THR A 160 -6.013 -3.120 2.286 1.00 1.16 O ATOM 620 CG2 THR A 160 -5.018 -3.072 4.489 1.00 1.08 C ATOM 0 H THR A 160 -3.290 -3.603 0.638 1.00 0.62 H new ATOM 0 HA THR A 160 -3.809 -1.535 2.686 1.00 0.67 H new ATOM 0 HB THR A 160 -4.557 -4.458 2.933 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.752 -3.642 2.663 1.00 1.16 H new ATOM 0 HG21 THR A 160 -5.844 -3.666 4.880 1.00 1.08 H new ATOM 0 HG22 THR A 160 -4.110 -3.303 5.046 1.00 1.08 H new ATOM 0 HG23 THR A 160 -5.250 -2.012 4.596 1.00 1.08 H new ATOM 628 N ASP A 161 -1.924 -2.513 4.145 1.00 0.82 N ATOM 629 CA ASP A 161 -0.640 -2.855 4.742 1.00 0.93 C ATOM 630 C ASP A 161 -0.815 -3.281 6.188 1.00 0.96 C ATOM 631 O ASP A 161 -1.804 -2.931 6.838 1.00 1.06 O ATOM 632 CB ASP A 161 0.327 -1.670 4.675 1.00 1.18 C ATOM 633 CG ASP A 161 -0.071 -0.538 5.601 1.00 1.61 C ATOM 634 OD1 ASP A 161 -1.004 0.213 5.264 1.00 2.27 O ATOM 635 OD2 ASP A 161 0.552 -0.397 6.675 1.00 2.13 O ATOM 0 H ASP A 161 -2.482 -1.852 4.685 1.00 0.82 H new ATOM 0 HA ASP A 161 -0.223 -3.686 4.172 1.00 0.93 H new ATOM 0 HB2 ASP A 161 1.330 -2.010 4.933 1.00 1.18 H new ATOM 0 HB3 ASP A 161 0.370 -1.299 3.651 1.00 1.18 H new ATOM 640 N LYS A 162 0.138 -4.058 6.673 1.00 0.98 N ATOM 641 CA LYS A 162 0.191 -4.425 8.076 1.00 1.10 C ATOM 642 C LYS A 162 1.641 -4.495 8.537 1.00 1.22 C ATOM 643 O LYS A 162 2.377 -5.419 8.165 1.00 1.27 O ATOM 644 CB LYS A 162 -0.501 -5.765 8.330 1.00 1.17 C ATOM 645 CG LYS A 162 -0.543 -6.132 9.804 1.00 1.55 C ATOM 646 CD LYS A 162 -1.008 -7.559 10.022 1.00 1.86 C ATOM 647 CE LYS A 162 -0.969 -7.936 11.495 1.00 2.36 C ATOM 648 NZ LYS A 162 0.402 -7.839 12.068 1.00 2.95 N ATOM 0 H LYS A 162 0.892 -4.450 6.109 1.00 0.98 H new ATOM 0 HA LYS A 162 -0.338 -3.660 8.645 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -1.518 -5.724 7.941 1.00 1.17 H new ATOM 0 HB3 LYS A 162 0.019 -6.548 7.779 1.00 1.17 H new ATOM 0 HG2 LYS A 162 0.449 -6.004 10.238 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -1.211 -5.449 10.329 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -2.023 -7.675 9.642 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -0.375 -8.240 9.453 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -1.640 -7.283 12.053 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -1.340 -8.954 11.617 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 0.408 -8.248 13.024 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 1.069 -8.361 11.464 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 0.688 -6.840 12.117 1.00 2.95 H new ATOM 662 N ASP A 163 2.043 -3.494 9.319 1.00 1.37 N ATOM 663 CA ASP A 163 3.387 -3.420 9.901 1.00 1.58 C ATOM 664 C ASP A 163 4.431 -3.116 8.833 1.00 1.48 C ATOM 665 O ASP A 163 4.835 -1.965 8.661 1.00 1.94 O ATOM 666 CB ASP A 163 3.752 -4.709 10.653 1.00 1.83 C ATOM 667 CG ASP A 163 2.914 -4.919 11.897 1.00 2.42 C ATOM 668 OD1 ASP A 163 3.291 -4.412 12.973 1.00 2.80 O ATOM 669 OD2 ASP A 163 1.861 -5.581 11.802 1.00 2.97 O ATOM 0 H ASP A 163 1.445 -2.707 9.569 1.00 1.37 H new ATOM 0 HA ASP A 163 3.380 -2.602 10.622 1.00 1.58 H new ATOM 0 HB2 ASP A 163 3.625 -5.562 9.986 1.00 1.83 H new ATOM 0 HB3 ASP A 163 4.805 -4.676 10.931 1.00 1.83 H new ATOM 674 N GLY A 164 4.850 -4.143 8.105 1.00 1.41 N ATOM 675 CA GLY A 164 5.874 -3.968 7.091 1.00 1.46 C ATOM 676 C GLY A 164 5.537 -4.661 5.788 1.00 1.29 C ATOM 677 O GLY A 164 6.222 -4.472 4.788 1.00 1.45 O ATOM 0 H GLY A 164 4.499 -5.096 8.198 1.00 1.41 H new ATOM 0 HA2 GLY A 164 6.015 -2.903 6.905 1.00 1.46 H new ATOM 0 HA3 GLY A 164 6.821 -4.354 7.468 1.00 1.46 H new ATOM 681 N GLU A 165 4.479 -5.461 5.793 1.00 1.10 N ATOM 682 CA GLU A 165 4.079 -6.196 4.598 1.00 1.01 C ATOM 683 C GLU A 165 2.822 -5.599 3.979 1.00 0.86 C ATOM 684 O GLU A 165 1.960 -5.063 4.684 1.00 0.92 O ATOM 685 CB GLU A 165 3.828 -7.671 4.916 1.00 1.13 C ATOM 686 CG GLU A 165 5.050 -8.564 4.766 1.00 1.48 C ATOM 687 CD GLU A 165 6.131 -8.302 5.790 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.823 -8.329 6.998 1.00 2.21 O ATOM 689 OE2 GLU A 165 7.283 -8.021 5.390 1.00 2.17 O ATOM 0 H GLU A 165 3.884 -5.618 6.607 1.00 1.10 H new ATOM 0 HA GLU A 165 4.900 -6.117 3.886 1.00 1.01 H new ATOM 0 HB2 GLU A 165 3.458 -7.752 5.938 1.00 1.13 H new ATOM 0 HB3 GLU A 165 3.040 -8.042 4.261 1.00 1.13 H new ATOM 0 HG2 GLU A 165 4.738 -9.606 4.841 1.00 1.48 H new ATOM 0 HG3 GLU A 165 5.467 -8.427 3.768 1.00 1.48 H new ATOM 696 N LEU A 166 2.730 -5.693 2.660 1.00 0.77 N ATOM 697 CA LEU A 166 1.538 -5.271 1.940 1.00 0.65 C ATOM 698 C LEU A 166 0.684 -6.492 1.626 1.00 0.55 C ATOM 699 O LEU A 166 1.215 -7.570 1.358 1.00 0.63 O ATOM 700 CB LEU A 166 1.903 -4.537 0.638 1.00 0.71 C ATOM 701 CG LEU A 166 2.427 -3.098 0.789 1.00 0.86 C ATOM 702 CD1 LEU A 166 1.400 -2.222 1.480 1.00 1.25 C ATOM 703 CD2 LEU A 166 3.744 -3.064 1.545 1.00 1.21 C ATOM 0 H LEU A 166 3.472 -6.060 2.064 1.00 0.77 H new ATOM 0 HA LEU A 166 0.979 -4.578 2.569 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.659 -5.123 0.116 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.020 -4.514 -0.001 1.00 0.71 H new ATOM 0 HG LEU A 166 2.603 -2.706 -0.213 1.00 0.86 H new ATOM 0 HD11 LEU A 166 1.791 -1.209 1.576 1.00 1.25 H new ATOM 0 HD12 LEU A 166 0.483 -2.202 0.891 1.00 1.25 H new ATOM 0 HD13 LEU A 166 1.186 -2.624 2.470 1.00 1.25 H new ATOM 0 HD21 LEU A 166 4.086 -2.033 1.634 1.00 1.21 H new ATOM 0 HD22 LEU A 166 3.603 -3.487 2.540 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.489 -3.648 1.005 1.00 1.21 H new ATOM 715 N TYR A 167 -0.627 -6.326 1.677 1.00 0.46 N ATOM 716 CA TYR A 167 -1.547 -7.427 1.422 1.00 0.38 C ATOM 717 C TYR A 167 -2.713 -6.964 0.562 1.00 0.33 C ATOM 718 O TYR A 167 -3.215 -5.848 0.732 1.00 0.45 O ATOM 719 CB TYR A 167 -2.106 -7.995 2.728 1.00 0.46 C ATOM 720 CG TYR A 167 -1.068 -8.467 3.718 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.425 -9.686 3.555 1.00 0.74 C ATOM 722 CD2 TYR A 167 -0.747 -7.701 4.831 1.00 0.79 C ATOM 723 CE1 TYR A 167 0.506 -10.129 4.473 1.00 0.94 C ATOM 724 CE2 TYR A 167 0.186 -8.136 5.749 1.00 0.97 C ATOM 725 CZ TYR A 167 0.810 -9.350 5.566 1.00 1.03 C ATOM 726 OH TYR A 167 1.734 -9.790 6.485 1.00 1.23 O ATOM 0 H TYR A 167 -1.081 -5.438 1.893 1.00 0.46 H new ATOM 0 HA TYR A 167 -0.984 -8.201 0.901 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.720 -7.231 3.205 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -2.765 -8.830 2.490 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -0.657 -10.298 2.696 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.236 -6.750 4.980 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.994 -11.083 4.334 1.00 0.94 H new ATOM 0 HE2 TYR A 167 0.426 -7.527 6.608 1.00 0.97 H new ATOM 0 HH TYR A 167 1.834 -9.121 7.195 1.00 1.23 H new ATOM 736 N CYS A 168 -3.127 -7.819 -0.365 1.00 0.30 N ATOM 737 CA CYS A 168 -4.349 -7.602 -1.122 1.00 0.38 C ATOM 738 C CYS A 168 -5.531 -7.626 -0.168 1.00 0.45 C ATOM 739 O CYS A 168 -5.499 -8.343 0.829 1.00 0.47 O ATOM 740 CB CYS A 168 -4.511 -8.708 -2.161 1.00 0.46 C ATOM 741 SG CYS A 168 -2.940 -9.254 -2.902 1.00 0.52 S ATOM 0 H CYS A 168 -2.629 -8.675 -0.610 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.302 -6.638 -1.629 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -4.999 -9.564 -1.694 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.173 -8.356 -2.953 1.00 0.46 H new ATOM 746 N LYS A 169 -6.571 -6.863 -0.469 1.00 0.60 N ATOM 747 CA LYS A 169 -7.746 -6.823 0.392 1.00 0.72 C ATOM 748 C LYS A 169 -8.406 -8.198 0.461 1.00 0.69 C ATOM 749 O LYS A 169 -8.965 -8.579 1.487 1.00 0.75 O ATOM 750 CB LYS A 169 -8.747 -5.772 -0.096 1.00 0.94 C ATOM 751 CG LYS A 169 -10.012 -5.708 0.747 1.00 1.57 C ATOM 752 CD LYS A 169 -10.922 -4.564 0.326 1.00 1.97 C ATOM 753 CE LYS A 169 -10.329 -3.209 0.687 1.00 2.66 C ATOM 754 NZ LYS A 169 -11.259 -2.098 0.359 1.00 3.12 N ATOM 0 H LYS A 169 -6.627 -6.268 -1.295 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.422 -6.543 1.394 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -8.267 -4.794 -0.092 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -9.018 -5.990 -1.129 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -10.552 -6.651 0.662 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.742 -5.589 1.796 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -11.092 -4.612 -0.750 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -11.893 -4.676 0.808 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -10.095 -3.186 1.751 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -9.390 -3.068 0.151 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -10.821 -1.191 0.619 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -11.462 -2.105 -0.661 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -12.145 -2.219 0.889 1.00 3.12 H new ATOM 768 N VAL A 170 -8.306 -8.950 -0.628 1.00 0.70 N ATOM 769 CA VAL A 170 -8.865 -10.296 -0.683 1.00 0.77 C ATOM 770 C VAL A 170 -8.102 -11.230 0.255 1.00 0.69 C ATOM 771 O VAL A 170 -8.699 -11.965 1.045 1.00 0.78 O ATOM 772 CB VAL A 170 -8.813 -10.862 -2.121 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.432 -12.249 -2.183 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.506 -9.918 -3.095 1.00 1.02 C ATOM 0 H VAL A 170 -7.843 -8.651 -1.486 1.00 0.70 H new ATOM 0 HA VAL A 170 -9.906 -10.234 -0.367 1.00 0.77 H new ATOM 0 HB VAL A 170 -7.766 -10.948 -2.413 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.383 -12.624 -3.205 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -8.884 -12.922 -1.523 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.473 -12.197 -1.865 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -9.458 -10.334 -4.101 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.549 -9.794 -2.802 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.007 -8.949 -3.079 1.00 1.02 H new ATOM 784 N CYS A 171 -6.781 -11.179 0.171 1.00 0.58 N ATOM 785 CA CYS A 171 -5.920 -11.998 1.010 1.00 0.59 C ATOM 786 C CYS A 171 -5.964 -11.525 2.464 1.00 0.57 C ATOM 787 O CYS A 171 -5.837 -12.321 3.397 1.00 0.66 O ATOM 788 CB CYS A 171 -4.501 -11.954 0.449 1.00 0.58 C ATOM 789 SG CYS A 171 -4.435 -12.331 -1.337 1.00 0.80 S ATOM 0 H CYS A 171 -6.278 -10.572 -0.477 1.00 0.58 H new ATOM 0 HA CYS A 171 -6.273 -13.029 1.003 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.077 -10.965 0.623 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -3.879 -12.667 0.990 1.00 0.58 H new ATOM 794 N TYR A 172 -6.158 -10.226 2.644 1.00 0.51 N ATOM 795 CA TYR A 172 -6.278 -9.637 3.972 1.00 0.59 C ATOM 796 C TYR A 172 -7.575 -10.094 4.634 1.00 0.67 C ATOM 797 O TYR A 172 -7.584 -10.485 5.805 1.00 0.76 O ATOM 798 CB TYR A 172 -6.247 -8.109 3.873 1.00 0.65 C ATOM 799 CG TYR A 172 -6.144 -7.402 5.207 1.00 0.89 C ATOM 800 CD1 TYR A 172 -4.917 -7.267 5.842 1.00 1.29 C ATOM 801 CD2 TYR A 172 -7.268 -6.871 5.827 1.00 1.24 C ATOM 802 CE1 TYR A 172 -4.811 -6.622 7.058 1.00 1.57 C ATOM 803 CE2 TYR A 172 -7.170 -6.224 7.044 1.00 1.45 C ATOM 804 CZ TYR A 172 -5.939 -6.102 7.656 1.00 1.48 C ATOM 805 OH TYR A 172 -5.835 -5.459 8.870 1.00 1.78 O ATOM 0 H TYR A 172 -6.236 -9.554 1.880 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.437 -9.968 4.582 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -5.401 -7.814 3.252 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.150 -7.771 3.364 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -4.031 -7.673 5.377 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -8.233 -6.965 5.351 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -3.849 -6.525 7.539 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -8.052 -5.816 7.514 1.00 1.45 H new ATOM 0 HH TYR A 172 -6.721 -5.151 9.154 1.00 1.78 H new ATOM 815 N ALA A 173 -8.663 -10.062 3.868 1.00 0.72 N ATOM 816 CA ALA A 173 -9.980 -10.456 4.362 1.00 0.87 C ATOM 817 C ALA A 173 -10.001 -11.926 4.766 1.00 0.91 C ATOM 818 O ALA A 173 -10.818 -12.342 5.588 1.00 1.05 O ATOM 819 CB ALA A 173 -11.041 -10.183 3.308 1.00 1.05 C ATOM 0 H ALA A 173 -8.657 -9.764 2.893 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.200 -9.861 5.248 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.018 -10.481 3.689 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.053 -9.119 3.071 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -10.814 -10.753 2.407 1.00 1.05 H new ATOM 825 N LYS A 174 -9.106 -12.706 4.166 1.00 0.89 N ATOM 826 CA LYS A 174 -8.955 -14.119 4.499 1.00 1.06 C ATOM 827 C LYS A 174 -8.558 -14.284 5.966 1.00 1.08 C ATOM 828 O LYS A 174 -9.077 -15.150 6.672 1.00 1.27 O ATOM 829 CB LYS A 174 -7.884 -14.755 3.603 1.00 1.17 C ATOM 830 CG LYS A 174 -7.645 -16.232 3.877 1.00 1.67 C ATOM 831 CD LYS A 174 -8.809 -17.083 3.397 1.00 2.21 C ATOM 832 CE LYS A 174 -8.925 -17.057 1.882 1.00 2.63 C ATOM 833 NZ LYS A 174 -10.077 -17.858 1.400 1.00 3.36 N ATOM 0 H LYS A 174 -8.469 -12.379 3.440 1.00 0.89 H new ATOM 0 HA LYS A 174 -9.910 -14.617 4.334 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -8.178 -14.632 2.560 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -6.946 -14.215 3.736 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -6.730 -16.552 3.379 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -7.497 -16.386 4.946 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -8.675 -18.110 3.736 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -9.736 -16.719 3.841 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -9.033 -16.026 1.544 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -8.006 -17.442 1.441 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -10.120 -17.814 0.362 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -9.962 -18.847 1.700 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -10.957 -17.475 1.800 1.00 3.36 H new ATOM 847 N ASN A 175 -7.650 -13.428 6.416 1.00 1.04 N ATOM 848 CA ASN A 175 -7.082 -13.540 7.755 1.00 1.24 C ATOM 849 C ASN A 175 -7.853 -12.695 8.761 1.00 1.33 C ATOM 850 O ASN A 175 -8.136 -13.140 9.872 1.00 1.56 O ATOM 851 CB ASN A 175 -5.609 -13.117 7.749 1.00 1.47 C ATOM 852 CG ASN A 175 -4.716 -14.103 7.022 1.00 1.90 C ATOM 853 OD1 ASN A 175 -4.181 -15.033 7.622 1.00 2.65 O ATOM 854 ND2 ASN A 175 -4.539 -13.909 5.722 1.00 2.25 N ATOM 0 H ASN A 175 -7.289 -12.645 5.871 1.00 1.04 H new ATOM 0 HA ASN A 175 -7.158 -14.585 8.056 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -5.519 -12.138 7.279 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.263 -13.010 8.777 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -3.943 -14.542 5.188 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -4.999 -13.127 5.256 1.00 2.25 H new ATOM 861 N PHE A 176 -8.200 -11.481 8.367 1.00 1.30 N ATOM 862 CA PHE A 176 -8.851 -10.544 9.271 1.00 1.58 C ATOM 863 C PHE A 176 -10.285 -10.278 8.833 1.00 2.55 C ATOM 864 O PHE A 176 -10.688 -9.127 8.633 1.00 3.04 O ATOM 865 CB PHE A 176 -8.058 -9.235 9.335 1.00 1.55 C ATOM 866 CG PHE A 176 -6.658 -9.408 9.847 1.00 2.24 C ATOM 867 CD1 PHE A 176 -6.406 -9.445 11.207 1.00 2.73 C ATOM 868 CD2 PHE A 176 -5.596 -9.532 8.967 1.00 2.85 C ATOM 869 CE1 PHE A 176 -5.118 -9.602 11.681 1.00 3.72 C ATOM 870 CE2 PHE A 176 -4.307 -9.686 9.435 1.00 3.93 C ATOM 871 CZ PHE A 176 -4.068 -9.731 10.795 1.00 4.32 C ATOM 0 H PHE A 176 -8.042 -11.120 7.426 1.00 1.30 H new ATOM 0 HA PHE A 176 -8.878 -10.987 10.267 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -8.020 -8.793 8.339 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -8.587 -8.530 9.977 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -7.225 -9.350 11.905 1.00 2.73 H new ATOM 0 HD2 PHE A 176 -5.779 -9.508 7.903 1.00 2.85 H new ATOM 0 HE1 PHE A 176 -4.933 -9.624 12.745 1.00 3.72 H new ATOM 0 HE2 PHE A 176 -3.486 -9.771 8.739 1.00 3.93 H new ATOM 0 HZ PHE A 176 -3.062 -9.867 11.164 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -2.533 -11.422 -2.264 1.00 0.51 ZN HETATM 883 ZN ZN A 191 10.556 -4.002 -4.227 1.00 0.75 ZN