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 160 THR OG1 : rot 120:sc= -0.922 USER MOD Set 1.2: A 169 LYS NZ :NH3+ 175:sc= 0.437 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 164:sc= -0.0472 (180deg=-0.308) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 17:sc= 1.25 USER MOD Single : A 132 LYS NZ :NH3+ -119:sc= 1.24 (180deg=-0.13) USER MOD Single : A 134 MET CE :methyl -162:sc= -0.0975 (180deg=-0.494) USER MOD Single : A 138 LYS NZ :NH3+ -175:sc= 0.834 (180deg=0.812) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot 68:sc= 0.074 USER MOD Single : A 152 LYS NZ :NH3+ 171:sc= 1.25 (180deg=0.91) USER MOD Single : A 153 SER OG : rot 33:sc= 0.0653 USER MOD Single : A 156 SER OG : rot 180:sc= 0.00303 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.2) USER MOD Single : A 162 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.24) USER MOD Single : A 167 TYR OH : rot 180:sc= 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 :FLIP amide:sc= -0.0655 F(o=-1.4!,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.638 2.446 0.491 1.00 0.89 N ATOM 2 CA LYS A 119 13.810 1.338 -0.436 1.00 0.80 C ATOM 3 C LYS A 119 12.772 0.235 -0.252 1.00 0.78 C ATOM 4 O LYS A 119 12.160 0.095 0.808 1.00 0.90 O ATOM 5 CB LYS A 119 15.206 0.754 -0.263 1.00 0.93 C ATOM 6 CG LYS A 119 15.487 0.206 1.121 1.00 1.51 C ATOM 7 CD LYS A 119 16.946 -0.164 1.254 1.00 1.54 C ATOM 8 CE LYS A 119 17.295 -0.631 2.657 1.00 2.16 C ATOM 9 NZ LYS A 119 18.764 -0.756 2.838 1.00 2.76 N ATOM 0 HA LYS A 119 13.674 1.736 -1.442 1.00 0.80 H new ATOM 0 HB2 LYS A 119 15.346 -0.044 -0.992 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.941 1.526 -0.491 1.00 0.93 H new ATOM 0 HG2 LYS A 119 15.223 0.949 1.874 1.00 1.51 H new ATOM 0 HG3 LYS A 119 14.865 -0.670 1.306 1.00 1.51 H new ATOM 0 HD2 LYS A 119 17.185 -0.953 0.541 1.00 1.54 H new ATOM 0 HD3 LYS A 119 17.562 0.697 0.996 1.00 1.54 H new ATOM 0 HE2 LYS A 119 16.896 0.074 3.386 1.00 2.16 H new ATOM 0 HE3 LYS A 119 16.820 -1.593 2.850 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 18.968 -1.077 3.806 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 19.140 -1.447 2.158 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 19.213 0.168 2.677 1.00 2.76 H new ATOM 23 N CYS A 120 12.602 -0.538 -1.319 1.00 0.70 N ATOM 24 CA CYS A 120 11.787 -1.738 -1.309 1.00 0.72 C ATOM 25 C CYS A 120 12.535 -2.851 -0.598 1.00 0.76 C ATOM 26 O CYS A 120 13.622 -3.240 -1.028 1.00 0.80 O ATOM 27 CB CYS A 120 11.468 -2.140 -2.755 1.00 0.67 C ATOM 28 SG CYS A 120 11.118 -3.912 -3.036 1.00 0.74 S ATOM 0 H CYS A 120 13.033 -0.343 -2.223 1.00 0.70 H new ATOM 0 HA CYS A 120 10.853 -1.553 -0.779 1.00 0.72 H new ATOM 0 HB2 CYS A 120 10.606 -1.562 -3.090 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.309 -1.852 -3.385 1.00 0.67 H new ATOM 33 N PRO A 121 11.970 -3.374 0.501 1.00 0.79 N ATOM 34 CA PRO A 121 12.597 -4.439 1.289 1.00 0.87 C ATOM 35 C PRO A 121 12.546 -5.798 0.591 1.00 0.90 C ATOM 36 O PRO A 121 13.105 -6.778 1.080 1.00 1.00 O ATOM 37 CB PRO A 121 11.767 -4.462 2.576 1.00 0.96 C ATOM 38 CG PRO A 121 10.433 -3.945 2.178 1.00 1.00 C ATOM 39 CD PRO A 121 10.678 -2.947 1.076 1.00 0.82 C ATOM 0 HA PRO A 121 13.658 -4.251 1.452 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.695 -5.471 2.982 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.218 -3.839 3.348 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.789 -4.754 1.834 1.00 1.00 H new ATOM 0 HG3 PRO A 121 9.930 -3.475 3.023 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.882 -2.968 0.332 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.728 -1.929 1.461 1.00 0.82 H new ATOM 47 N ARG A 122 11.878 -5.852 -0.559 1.00 0.86 N ATOM 48 CA ARG A 122 11.812 -7.083 -1.336 1.00 0.94 C ATOM 49 C ARG A 122 13.103 -7.238 -2.119 1.00 0.90 C ATOM 50 O ARG A 122 13.714 -8.308 -2.144 1.00 1.05 O ATOM 51 CB ARG A 122 10.638 -7.067 -2.319 1.00 0.98 C ATOM 52 CG ARG A 122 9.284 -6.739 -1.710 1.00 0.97 C ATOM 53 CD ARG A 122 8.703 -7.898 -0.912 1.00 1.11 C ATOM 54 NE ARG A 122 7.246 -7.776 -0.794 1.00 1.54 N ATOM 55 CZ ARG A 122 6.569 -7.883 0.346 1.00 1.95 C ATOM 56 NH1 ARG A 122 7.192 -8.185 1.476 1.00 2.03 N ATOM 57 NH2 ARG A 122 5.254 -7.713 0.351 1.00 2.82 N ATOM 0 H ARG A 122 11.379 -5.063 -0.969 1.00 0.86 H new ATOM 0 HA ARG A 122 11.669 -7.915 -0.646 1.00 0.94 H new ATOM 0 HB2 ARG A 122 10.851 -6.339 -3.102 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.575 -8.043 -2.800 1.00 0.98 H new ATOM 0 HG2 ARG A 122 9.383 -5.869 -1.060 1.00 0.97 H new ATOM 0 HG3 ARG A 122 8.589 -6.466 -2.504 1.00 0.97 H new ATOM 0 HD2 ARG A 122 8.955 -8.841 -1.398 1.00 1.11 H new ATOM 0 HD3 ARG A 122 9.151 -7.921 0.081 1.00 1.11 H new ATOM 0 HE ARG A 122 6.715 -7.597 -1.646 1.00 1.54 H new ATOM 0 HH11 ARG A 122 8.200 -8.338 1.477 1.00 2.03 H new ATOM 0 HH12 ARG A 122 6.663 -8.264 2.344 1.00 2.03 H new ATOM 0 HH21 ARG A 122 4.764 -7.501 -0.518 1.00 2.82 H new ATOM 0 HH22 ARG A 122 4.733 -7.795 1.224 1.00 2.82 H new ATOM 71 N CYS A 123 13.517 -6.144 -2.744 1.00 0.76 N ATOM 72 CA CYS A 123 14.717 -6.129 -3.564 1.00 0.78 C ATOM 73 C CYS A 123 15.911 -5.584 -2.789 1.00 0.76 C ATOM 74 O CYS A 123 17.064 -5.896 -3.091 1.00 0.86 O ATOM 75 CB CYS A 123 14.487 -5.260 -4.799 1.00 0.77 C ATOM 76 SG CYS A 123 13.027 -5.730 -5.772 1.00 0.88 S ATOM 0 H CYS A 123 13.032 -5.248 -2.696 1.00 0.76 H new ATOM 0 HA CYS A 123 14.933 -7.156 -3.860 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.383 -4.221 -4.485 1.00 0.77 H new ATOM 0 HB3 CYS A 123 15.369 -5.313 -5.437 1.00 0.77 H new ATOM 81 N GLY A 124 15.614 -4.762 -1.795 1.00 0.70 N ATOM 82 CA GLY A 124 16.648 -4.055 -1.074 1.00 0.73 C ATOM 83 C GLY A 124 17.125 -2.853 -1.861 1.00 0.71 C ATOM 84 O GLY A 124 18.263 -2.410 -1.712 1.00 0.85 O ATOM 0 H GLY A 124 14.665 -4.571 -1.473 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.267 -3.733 -0.105 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.486 -4.725 -0.881 1.00 0.73 H new ATOM 88 N LYS A 125 16.232 -2.316 -2.690 1.00 0.61 N ATOM 89 CA LYS A 125 16.586 -1.254 -3.626 1.00 0.61 C ATOM 90 C LYS A 125 15.717 -0.024 -3.414 1.00 0.57 C ATOM 91 O LYS A 125 14.491 -0.129 -3.338 1.00 0.60 O ATOM 92 CB LYS A 125 16.423 -1.741 -5.069 1.00 0.63 C ATOM 93 CG LYS A 125 17.369 -2.861 -5.460 1.00 1.30 C ATOM 94 CD LYS A 125 18.817 -2.425 -5.333 1.00 1.71 C ATOM 95 CE LYS A 125 19.766 -3.484 -5.864 1.00 2.44 C ATOM 96 NZ LYS A 125 19.594 -3.705 -7.323 1.00 2.99 N ATOM 0 H LYS A 125 15.254 -2.602 -2.731 1.00 0.61 H new ATOM 0 HA LYS A 125 17.627 -0.986 -3.444 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.397 -2.081 -5.212 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.577 -0.899 -5.744 1.00 0.63 H new ATOM 0 HG2 LYS A 125 17.191 -3.729 -4.826 1.00 1.30 H new ATOM 0 HG3 LYS A 125 17.168 -3.169 -6.486 1.00 1.30 H new ATOM 0 HD2 LYS A 125 18.967 -1.494 -5.879 1.00 1.71 H new ATOM 0 HD3 LYS A 125 19.046 -2.221 -4.287 1.00 1.71 H new ATOM 0 HE2 LYS A 125 20.794 -3.184 -5.662 1.00 2.44 H new ATOM 0 HE3 LYS A 125 19.597 -4.421 -5.333 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 20.418 -4.218 -7.696 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 18.733 -4.264 -7.490 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 19.510 -2.788 -7.806 1.00 2.99 H new ATOM 110 N SER A 126 16.362 1.133 -3.313 1.00 0.66 N ATOM 111 CA SER A 126 15.667 2.398 -3.115 1.00 0.68 C ATOM 112 C SER A 126 14.743 2.699 -4.294 1.00 0.57 C ATOM 113 O SER A 126 15.105 2.478 -5.451 1.00 0.66 O ATOM 114 CB SER A 126 16.682 3.528 -2.950 1.00 0.89 C ATOM 115 OG SER A 126 17.664 3.195 -1.981 1.00 1.37 O ATOM 0 H SER A 126 17.377 1.220 -3.366 1.00 0.66 H new ATOM 0 HA SER A 126 15.061 2.321 -2.212 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.164 3.730 -3.906 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.168 4.442 -2.652 1.00 0.89 H new ATOM 0 HG SER A 126 18.303 3.933 -1.895 1.00 1.37 H new ATOM 121 N VAL A 127 13.550 3.199 -4.001 1.00 0.52 N ATOM 122 CA VAL A 127 12.592 3.529 -5.042 1.00 0.45 C ATOM 123 C VAL A 127 12.528 5.037 -5.254 1.00 0.58 C ATOM 124 O VAL A 127 12.586 5.820 -4.303 1.00 0.80 O ATOM 125 CB VAL A 127 11.185 2.985 -4.711 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.171 3.393 -5.773 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.216 1.470 -4.585 1.00 0.71 C ATOM 0 H VAL A 127 13.225 3.384 -3.052 1.00 0.52 H new ATOM 0 HA VAL A 127 12.933 3.053 -5.961 1.00 0.45 H new ATOM 0 HB VAL A 127 10.879 3.418 -3.759 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.190 2.995 -5.512 1.00 0.63 H new ATOM 0 HG12 VAL A 127 10.119 4.480 -5.827 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.478 2.996 -6.741 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.216 1.104 -4.352 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.552 1.033 -5.526 1.00 0.71 H new ATOM 0 HG23 VAL A 127 11.902 1.185 -3.787 1.00 0.71 H new ATOM 137 N TYR A 128 12.427 5.430 -6.513 1.00 0.60 N ATOM 138 CA TYR A 128 12.344 6.832 -6.883 1.00 0.78 C ATOM 139 C TYR A 128 10.893 7.296 -6.882 1.00 0.58 C ATOM 140 O TYR A 128 9.971 6.491 -7.004 1.00 0.48 O ATOM 141 CB TYR A 128 12.974 7.056 -8.263 1.00 1.14 C ATOM 142 CG TYR A 128 12.771 5.902 -9.221 1.00 2.06 C ATOM 143 CD1 TYR A 128 11.521 5.326 -9.395 1.00 2.76 C ATOM 144 CD2 TYR A 128 13.838 5.371 -9.931 1.00 2.80 C ATOM 145 CE1 TYR A 128 11.334 4.264 -10.247 1.00 3.69 C ATOM 146 CE2 TYR A 128 13.663 4.303 -10.789 1.00 3.75 C ATOM 147 CZ TYR A 128 12.408 3.750 -10.944 1.00 4.06 C ATOM 148 OH TYR A 128 12.234 2.679 -11.790 1.00 5.08 O ATOM 0 H TYR A 128 12.400 4.788 -7.305 1.00 0.60 H new ATOM 0 HA TYR A 128 12.896 7.418 -6.149 1.00 0.78 H new ATOM 0 HB2 TYR A 128 12.552 7.960 -8.703 1.00 1.14 H new ATOM 0 HB3 TYR A 128 14.043 7.231 -8.140 1.00 1.14 H new ATOM 0 HD1 TYR A 128 10.677 5.721 -8.849 1.00 2.76 H new ATOM 0 HD2 TYR A 128 14.822 5.800 -9.811 1.00 2.80 H new ATOM 0 HE1 TYR A 128 10.351 3.834 -10.370 1.00 3.69 H new ATOM 0 HE2 TYR A 128 14.504 3.903 -11.336 1.00 3.75 H new ATOM 0 HH TYR A 128 11.282 2.579 -12.000 1.00 5.08 H new ATOM 158 N ALA A 129 10.704 8.606 -6.765 1.00 0.69 N ATOM 159 CA ALA A 129 9.374 9.197 -6.631 1.00 0.74 C ATOM 160 C ALA A 129 8.511 8.988 -7.873 1.00 0.75 C ATOM 161 O ALA A 129 7.300 9.192 -7.833 1.00 0.87 O ATOM 162 CB ALA A 129 9.497 10.681 -6.328 1.00 0.95 C ATOM 0 H ALA A 129 11.464 9.287 -6.760 1.00 0.69 H new ATOM 0 HA ALA A 129 8.876 8.688 -5.806 1.00 0.74 H new ATOM 0 HB1 ALA A 129 8.502 11.116 -6.229 1.00 0.95 H new ATOM 0 HB2 ALA A 129 10.047 10.818 -5.397 1.00 0.95 H new ATOM 0 HB3 ALA A 129 10.030 11.175 -7.140 1.00 0.95 H new ATOM 168 N ALA A 130 9.138 8.586 -8.974 1.00 0.80 N ATOM 169 CA ALA A 130 8.428 8.362 -10.226 1.00 1.00 C ATOM 170 C ALA A 130 7.502 7.150 -10.133 1.00 0.91 C ATOM 171 O ALA A 130 6.353 7.200 -10.569 1.00 1.16 O ATOM 172 CB ALA A 130 9.422 8.184 -11.370 1.00 1.21 C ATOM 0 H ALA A 130 10.141 8.408 -9.023 1.00 0.80 H new ATOM 0 HA ALA A 130 7.810 9.238 -10.424 1.00 1.00 H new ATOM 0 HB1 ALA A 130 8.880 8.017 -12.301 1.00 1.21 H new ATOM 0 HB2 ALA A 130 10.034 9.081 -11.463 1.00 1.21 H new ATOM 0 HB3 ALA A 130 10.063 7.327 -11.165 1.00 1.21 H new ATOM 178 N GLU A 131 8.004 6.072 -9.544 1.00 0.68 N ATOM 179 CA GLU A 131 7.252 4.825 -9.453 1.00 0.65 C ATOM 180 C GLU A 131 7.103 4.407 -7.993 1.00 0.46 C ATOM 181 O GLU A 131 7.110 3.225 -7.657 1.00 0.50 O ATOM 182 CB GLU A 131 7.949 3.736 -10.278 1.00 0.87 C ATOM 183 CG GLU A 131 8.036 4.088 -11.762 1.00 1.41 C ATOM 184 CD GLU A 131 8.618 2.981 -12.614 1.00 1.70 C ATOM 185 OE1 GLU A 131 9.665 2.420 -12.240 1.00 1.99 O ATOM 186 OE2 GLU A 131 8.025 2.667 -13.669 1.00 2.44 O ATOM 0 H GLU A 131 8.931 6.035 -9.121 1.00 0.68 H new ATOM 0 HA GLU A 131 6.252 4.973 -9.862 1.00 0.65 H new ATOM 0 HB2 GLU A 131 8.954 3.576 -9.887 1.00 0.87 H new ATOM 0 HB3 GLU A 131 7.409 2.796 -10.162 1.00 0.87 H new ATOM 0 HG2 GLU A 131 7.039 4.331 -12.128 1.00 1.41 H new ATOM 0 HG3 GLU A 131 8.646 4.984 -11.879 1.00 1.41 H new ATOM 193 N LYS A 132 6.954 5.410 -7.140 1.00 0.44 N ATOM 194 CA LYS A 132 6.841 5.214 -5.706 1.00 0.42 C ATOM 195 C LYS A 132 5.399 4.921 -5.284 1.00 0.44 C ATOM 196 O LYS A 132 4.533 5.795 -5.319 1.00 0.58 O ATOM 197 CB LYS A 132 7.374 6.460 -4.987 1.00 0.55 C ATOM 198 CG LYS A 132 6.991 6.562 -3.519 1.00 0.65 C ATOM 199 CD LYS A 132 7.619 7.786 -2.868 1.00 1.05 C ATOM 200 CE LYS A 132 7.015 9.086 -3.384 1.00 1.58 C ATOM 201 NZ LYS A 132 5.650 9.321 -2.849 1.00 2.18 N ATOM 0 H LYS A 132 6.908 6.388 -7.427 1.00 0.44 H new ATOM 0 HA LYS A 132 7.436 4.344 -5.426 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.461 6.471 -5.066 1.00 0.55 H new ATOM 0 HB3 LYS A 132 7.008 7.346 -5.506 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.906 6.615 -3.427 1.00 0.65 H new ATOM 0 HG3 LYS A 132 7.312 5.663 -2.994 1.00 0.65 H new ATOM 0 HD2 LYS A 132 7.486 7.729 -1.788 1.00 1.05 H new ATOM 0 HD3 LYS A 132 8.692 7.786 -3.057 1.00 1.05 H new ATOM 0 HE2 LYS A 132 7.660 9.920 -3.107 1.00 1.58 H new ATOM 0 HE3 LYS A 132 6.977 9.060 -4.473 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 4.971 9.363 -3.636 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 5.390 8.544 -2.208 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 5.632 10.221 -2.328 1.00 2.18 H new ATOM 215 N VAL A 133 5.152 3.675 -4.914 1.00 0.39 N ATOM 216 CA VAL A 133 3.907 3.294 -4.261 1.00 0.44 C ATOM 217 C VAL A 133 4.143 3.223 -2.763 1.00 0.44 C ATOM 218 O VAL A 133 5.164 2.709 -2.313 1.00 0.50 O ATOM 219 CB VAL A 133 3.361 1.956 -4.794 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.635 2.167 -6.112 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.483 0.950 -4.973 1.00 0.88 C ATOM 0 H VAL A 133 5.803 2.903 -5.056 1.00 0.39 H new ATOM 0 HA VAL A 133 3.151 4.048 -4.483 1.00 0.44 H new ATOM 0 HB VAL A 133 2.656 1.562 -4.062 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.255 1.212 -6.475 1.00 1.02 H new ATOM 0 HG12 VAL A 133 1.803 2.855 -5.963 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.325 2.585 -6.845 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.074 0.013 -5.350 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.212 1.340 -5.684 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.970 0.774 -4.014 1.00 0.88 H new ATOM 231 N MET A 134 3.214 3.762 -1.995 1.00 0.54 N ATOM 232 CA MET A 134 3.450 3.997 -0.578 1.00 0.60 C ATOM 233 C MET A 134 3.149 2.763 0.269 1.00 0.57 C ATOM 234 O MET A 134 2.012 2.549 0.696 1.00 0.75 O ATOM 235 CB MET A 134 2.603 5.177 -0.091 1.00 0.83 C ATOM 236 CG MET A 134 2.823 6.463 -0.878 1.00 1.14 C ATOM 237 SD MET A 134 4.525 7.061 -0.800 1.00 1.65 S ATOM 238 CE MET A 134 4.684 7.388 0.954 1.00 1.78 C ATOM 0 H MET A 134 2.291 4.045 -2.325 1.00 0.54 H new ATOM 0 HA MET A 134 4.509 4.229 -0.461 1.00 0.60 H new ATOM 0 HB2 MET A 134 1.550 4.903 -0.149 1.00 0.83 H new ATOM 0 HB3 MET A 134 2.827 5.363 0.959 1.00 0.83 H new ATOM 0 HG2 MET A 134 2.551 6.295 -1.920 1.00 1.14 H new ATOM 0 HG3 MET A 134 2.155 7.235 -0.495 1.00 1.14 H new ATOM 0 HE1 MET A 134 5.535 8.047 1.126 1.00 1.78 H new ATOM 0 HE2 MET A 134 3.775 7.867 1.319 1.00 1.78 H new ATOM 0 HE3 MET A 134 4.839 6.450 1.486 1.00 1.78 H new ATOM 248 N GLY A 135 4.169 1.951 0.498 1.00 0.50 N ATOM 249 CA GLY A 135 4.041 0.835 1.408 1.00 0.61 C ATOM 250 C GLY A 135 4.545 1.187 2.794 1.00 0.70 C ATOM 251 O GLY A 135 5.751 1.147 3.057 1.00 0.77 O ATOM 0 H GLY A 135 5.088 2.047 0.067 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.996 0.530 1.466 1.00 0.61 H new ATOM 0 HA3 GLY A 135 4.601 -0.017 1.022 1.00 0.61 H new ATOM 255 N GLY A 136 3.625 1.558 3.674 1.00 0.85 N ATOM 256 CA GLY A 136 3.991 1.931 5.028 1.00 1.03 C ATOM 257 C GLY A 136 4.910 3.135 5.072 1.00 1.08 C ATOM 258 O GLY A 136 5.960 3.100 5.718 1.00 1.72 O ATOM 0 H GLY A 136 2.626 1.608 3.474 1.00 0.85 H new ATOM 0 HA2 GLY A 136 3.088 2.147 5.598 1.00 1.03 H new ATOM 0 HA3 GLY A 136 4.480 1.087 5.514 1.00 1.03 H new ATOM 262 N GLY A 137 4.530 4.189 4.354 1.00 0.94 N ATOM 263 CA GLY A 137 5.311 5.415 4.334 1.00 0.98 C ATOM 264 C GLY A 137 6.586 5.289 3.522 1.00 0.87 C ATOM 265 O GLY A 137 7.374 6.231 3.436 1.00 1.04 O ATOM 0 H GLY A 137 3.687 4.215 3.780 1.00 0.94 H new ATOM 0 HA2 GLY A 137 4.703 6.221 3.923 1.00 0.98 H new ATOM 0 HA3 GLY A 137 5.564 5.696 5.356 1.00 0.98 H new ATOM 269 N LYS A 138 6.787 4.128 2.916 1.00 0.71 N ATOM 270 CA LYS A 138 8.014 3.847 2.195 1.00 0.71 C ATOM 271 C LYS A 138 7.726 3.578 0.724 1.00 0.53 C ATOM 272 O LYS A 138 6.804 2.836 0.400 1.00 0.52 O ATOM 273 CB LYS A 138 8.698 2.626 2.813 1.00 0.92 C ATOM 274 CG LYS A 138 9.034 2.788 4.289 1.00 1.15 C ATOM 275 CD LYS A 138 9.609 1.507 4.875 1.00 1.46 C ATOM 276 CE LYS A 138 8.576 0.393 4.901 1.00 2.11 C ATOM 277 NZ LYS A 138 7.471 0.678 5.855 1.00 2.69 N ATOM 0 H LYS A 138 6.111 3.364 2.911 1.00 0.71 H new ATOM 0 HA LYS A 138 8.668 4.716 2.267 1.00 0.71 H new ATOM 0 HB2 LYS A 138 8.050 1.758 2.691 1.00 0.92 H new ATOM 0 HB3 LYS A 138 9.615 2.418 2.262 1.00 0.92 H new ATOM 0 HG2 LYS A 138 9.751 3.600 4.413 1.00 1.15 H new ATOM 0 HG3 LYS A 138 8.136 3.069 4.839 1.00 1.15 H new ATOM 0 HD2 LYS A 138 10.471 1.192 4.287 1.00 1.46 H new ATOM 0 HD3 LYS A 138 9.966 1.697 5.887 1.00 1.46 H new ATOM 0 HE2 LYS A 138 8.165 0.257 3.901 1.00 2.11 H new ATOM 0 HE3 LYS A 138 9.060 -0.544 5.177 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 6.834 -0.143 5.904 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 7.867 0.866 6.798 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 6.938 1.510 5.531 1.00 2.69 H new ATOM 291 N PRO A 139 8.473 4.222 -0.185 1.00 0.51 N ATOM 292 CA PRO A 139 8.432 3.911 -1.615 1.00 0.46 C ATOM 293 C PRO A 139 8.745 2.448 -1.909 1.00 0.39 C ATOM 294 O PRO A 139 9.858 1.976 -1.675 1.00 0.51 O ATOM 295 CB PRO A 139 9.528 4.809 -2.219 1.00 0.60 C ATOM 296 CG PRO A 139 10.338 5.267 -1.061 1.00 0.72 C ATOM 297 CD PRO A 139 9.381 5.344 0.086 1.00 0.63 C ATOM 0 HA PRO A 139 7.438 4.084 -2.027 1.00 0.46 H new ATOM 0 HB2 PRO A 139 10.139 4.258 -2.934 1.00 0.60 H new ATOM 0 HB3 PRO A 139 9.094 5.653 -2.755 1.00 0.60 H new ATOM 0 HG2 PRO A 139 11.150 4.571 -0.849 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.793 6.237 -1.259 1.00 0.72 H new ATOM 0 HD2 PRO A 139 9.887 5.235 1.045 1.00 0.63 H new ATOM 0 HD3 PRO A 139 8.853 6.297 0.111 1.00 0.63 H new ATOM 305 N TRP A 140 7.751 1.740 -2.408 1.00 0.34 N ATOM 306 CA TRP A 140 7.925 0.370 -2.845 1.00 0.33 C ATOM 307 C TRP A 140 7.896 0.313 -4.365 1.00 0.31 C ATOM 308 O TRP A 140 7.552 1.298 -5.021 1.00 0.38 O ATOM 309 CB TRP A 140 6.822 -0.519 -2.269 1.00 0.40 C ATOM 310 CG TRP A 140 7.022 -0.882 -0.824 1.00 0.44 C ATOM 311 CD1 TRP A 140 7.367 -0.050 0.199 1.00 0.54 C ATOM 312 CD2 TRP A 140 6.873 -2.180 -0.247 1.00 0.51 C ATOM 313 NE1 TRP A 140 7.451 -0.754 1.376 1.00 0.61 N ATOM 314 CE2 TRP A 140 7.152 -2.067 1.128 1.00 0.58 C ATOM 315 CE3 TRP A 140 6.538 -3.426 -0.761 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.101 -3.157 1.991 1.00 0.69 C ATOM 317 CZ3 TRP A 140 6.482 -4.508 0.091 1.00 0.76 C ATOM 318 CH2 TRP A 140 6.767 -4.371 1.457 1.00 0.78 C ATOM 0 H TRP A 140 6.803 2.098 -2.522 1.00 0.34 H new ATOM 0 HA TRP A 140 8.887 0.004 -2.486 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.865 -0.008 -2.376 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.762 -1.434 -2.858 1.00 0.40 H new ATOM 0 HD1 TRP A 140 7.548 1.010 0.099 1.00 0.54 H new ATOM 0 HE1 TRP A 140 7.696 -0.363 2.286 1.00 0.61 H new ATOM 0 HE3 TRP A 140 6.324 -3.545 -1.813 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 7.317 -3.049 3.044 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 6.214 -5.478 -0.300 1.00 0.76 H new ATOM 0 HH2 TRP A 140 6.722 -5.239 2.098 1.00 0.78 H new ATOM 329 N HIS A 141 8.262 -0.832 -4.922 1.00 0.34 N ATOM 330 CA HIS A 141 8.210 -1.026 -6.365 1.00 0.34 C ATOM 331 C HIS A 141 6.780 -1.249 -6.824 1.00 0.40 C ATOM 332 O HIS A 141 5.986 -1.877 -6.128 1.00 0.51 O ATOM 333 CB HIS A 141 9.053 -2.227 -6.794 1.00 0.42 C ATOM 334 CG HIS A 141 10.495 -1.926 -7.032 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.479 -2.500 -6.280 1.00 0.68 N ATOM 336 CD2 HIS A 141 11.075 -1.140 -7.980 1.00 0.70 C ATOM 337 CE1 HIS A 141 12.629 -2.082 -6.764 1.00 0.71 C ATOM 338 NE2 HIS A 141 12.440 -1.246 -7.806 1.00 0.72 N ATOM 0 H HIS A 141 8.598 -1.640 -4.398 1.00 0.34 H new ATOM 0 HA HIS A 141 8.611 -0.123 -6.825 1.00 0.34 H new ATOM 0 HB2 HIS A 141 8.979 -2.998 -6.027 1.00 0.42 H new ATOM 0 HB3 HIS A 141 8.628 -2.644 -7.707 1.00 0.42 H new ATOM 0 HD2 HIS A 141 10.565 -0.547 -8.725 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.596 -2.370 -6.378 1.00 0.71 H new ATOM 0 HE2 HIS A 141 13.163 -0.783 -8.357 1.00 0.72 H new ATOM 346 N LYS A 142 6.479 -0.730 -8.006 1.00 0.49 N ATOM 347 CA LYS A 142 5.189 -0.931 -8.668 1.00 0.65 C ATOM 348 C LYS A 142 4.824 -2.413 -8.768 1.00 0.71 C ATOM 349 O LYS A 142 3.650 -2.766 -8.850 1.00 0.89 O ATOM 350 CB LYS A 142 5.251 -0.317 -10.070 1.00 0.85 C ATOM 351 CG LYS A 142 6.576 -0.590 -10.777 1.00 1.52 C ATOM 352 CD LYS A 142 6.604 -0.056 -12.198 1.00 1.88 C ATOM 353 CE LYS A 142 5.818 -0.943 -13.148 1.00 2.60 C ATOM 354 NZ LYS A 142 5.953 -0.497 -14.561 1.00 3.19 N ATOM 0 H LYS A 142 7.127 -0.151 -8.541 1.00 0.49 H new ATOM 0 HA LYS A 142 4.417 -0.444 -8.071 1.00 0.65 H new ATOM 0 HB2 LYS A 142 4.434 -0.715 -10.672 1.00 0.85 H new ATOM 0 HB3 LYS A 142 5.098 0.760 -9.997 1.00 0.85 H new ATOM 0 HG2 LYS A 142 7.387 -0.137 -10.207 1.00 1.52 H new ATOM 0 HG3 LYS A 142 6.760 -1.664 -10.793 1.00 1.52 H new ATOM 0 HD2 LYS A 142 6.191 0.952 -12.216 1.00 1.88 H new ATOM 0 HD3 LYS A 142 7.637 0.017 -12.539 1.00 1.88 H new ATOM 0 HE2 LYS A 142 6.167 -1.972 -13.057 1.00 2.60 H new ATOM 0 HE3 LYS A 142 4.766 -0.937 -12.864 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 5.402 -1.127 -15.178 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 5.597 0.476 -14.654 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 6.954 -0.527 -14.840 1.00 3.19 H new ATOM 368 N THR A 143 5.834 -3.267 -8.784 1.00 0.69 N ATOM 369 CA THR A 143 5.623 -4.699 -8.852 1.00 0.84 C ATOM 370 C THR A 143 5.611 -5.333 -7.461 1.00 0.84 C ATOM 371 O THR A 143 4.794 -6.204 -7.177 1.00 1.10 O ATOM 372 CB THR A 143 6.712 -5.359 -9.714 1.00 0.95 C ATOM 373 OG1 THR A 143 7.999 -4.830 -9.359 1.00 1.38 O ATOM 374 CG2 THR A 143 6.449 -5.116 -11.193 1.00 1.47 C ATOM 0 H THR A 143 6.815 -2.988 -8.750 1.00 0.69 H new ATOM 0 HA THR A 143 4.647 -4.865 -9.309 1.00 0.84 H new ATOM 0 HB THR A 143 6.695 -6.433 -9.530 1.00 0.95 H new ATOM 0 HG1 THR A 143 8.236 -5.125 -8.455 1.00 1.38 H new ATOM 0 HG21 THR A 143 7.231 -5.591 -11.785 1.00 1.47 H new ATOM 0 HG22 THR A 143 5.481 -5.538 -11.465 1.00 1.47 H new ATOM 0 HG23 THR A 143 6.446 -4.044 -11.391 1.00 1.47 H new ATOM 382 N CYS A 144 6.514 -4.877 -6.593 1.00 0.68 N ATOM 383 CA CYS A 144 6.699 -5.481 -5.274 1.00 0.76 C ATOM 384 C CYS A 144 5.679 -4.989 -4.268 1.00 0.81 C ATOM 385 O CYS A 144 5.628 -5.484 -3.138 1.00 0.96 O ATOM 386 CB CYS A 144 8.086 -5.169 -4.767 1.00 0.73 C ATOM 387 SG CYS A 144 9.356 -5.394 -6.025 1.00 1.14 S ATOM 0 H CYS A 144 7.132 -4.087 -6.781 1.00 0.68 H new ATOM 0 HA CYS A 144 6.563 -6.557 -5.386 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.114 -4.140 -4.409 1.00 0.73 H new ATOM 0 HB3 CYS A 144 8.309 -5.810 -3.914 1.00 0.73 H new ATOM 392 N PHE A 145 4.904 -3.999 -4.666 1.00 0.80 N ATOM 393 CA PHE A 145 3.776 -3.541 -3.882 1.00 0.86 C ATOM 394 C PHE A 145 2.698 -4.610 -3.945 1.00 0.79 C ATOM 395 O PHE A 145 1.614 -4.402 -4.469 1.00 0.81 O ATOM 396 CB PHE A 145 3.279 -2.214 -4.452 1.00 0.94 C ATOM 397 CG PHE A 145 2.496 -1.378 -3.487 1.00 0.97 C ATOM 398 CD1 PHE A 145 2.994 -1.112 -2.224 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.274 -0.842 -3.851 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.286 -0.327 -1.340 1.00 1.10 C ATOM 401 CE2 PHE A 145 0.564 -0.051 -2.973 1.00 1.13 C ATOM 402 CZ PHE A 145 1.071 0.205 -1.715 1.00 1.13 C ATOM 0 H PHE A 145 5.039 -3.491 -5.540 1.00 0.80 H new ATOM 0 HA PHE A 145 4.055 -3.377 -2.841 1.00 0.86 H new ATOM 0 HB2 PHE A 145 4.137 -1.638 -4.799 1.00 0.94 H new ATOM 0 HB3 PHE A 145 2.658 -2.418 -5.324 1.00 0.94 H new ATOM 0 HD1 PHE A 145 3.947 -1.524 -1.928 1.00 1.03 H new ATOM 0 HD2 PHE A 145 0.872 -1.045 -4.833 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.682 -0.129 -0.355 1.00 1.10 H new ATOM 0 HE2 PHE A 145 -0.387 0.367 -3.269 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.516 0.822 -1.024 1.00 1.13 H new ATOM 412 N ARG A 146 3.040 -5.770 -3.417 1.00 0.76 N ATOM 413 CA ARG A 146 2.272 -6.976 -3.618 1.00 0.69 C ATOM 414 C ARG A 146 2.276 -7.796 -2.342 1.00 0.66 C ATOM 415 O ARG A 146 3.248 -7.757 -1.579 1.00 0.95 O ATOM 416 CB ARG A 146 2.892 -7.783 -4.768 1.00 0.77 C ATOM 417 CG ARG A 146 4.234 -8.422 -4.431 1.00 1.08 C ATOM 418 CD ARG A 146 5.007 -8.824 -5.681 1.00 1.13 C ATOM 419 NE ARG A 146 4.205 -9.626 -6.606 1.00 1.61 N ATOM 420 CZ ARG A 146 4.377 -9.628 -7.929 1.00 1.86 C ATOM 421 NH1 ARG A 146 5.343 -8.905 -8.487 1.00 1.73 N ATOM 422 NH2 ARG A 146 3.580 -10.361 -8.697 1.00 2.78 N ATOM 0 H ARG A 146 3.866 -5.899 -2.832 1.00 0.76 H new ATOM 0 HA ARG A 146 1.243 -6.723 -3.872 1.00 0.69 H new ATOM 0 HB2 ARG A 146 2.194 -8.566 -5.065 1.00 0.77 H new ATOM 0 HB3 ARG A 146 3.021 -7.127 -5.629 1.00 0.77 H new ATOM 0 HG2 ARG A 146 4.831 -7.723 -3.845 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.070 -9.301 -3.808 1.00 1.08 H new ATOM 0 HD2 ARG A 146 5.355 -7.927 -6.192 1.00 1.13 H new ATOM 0 HD3 ARG A 146 5.892 -9.389 -5.390 1.00 1.13 H new ATOM 0 HE ARG A 146 3.472 -10.218 -6.216 1.00 1.61 H new ATOM 0 HH11 ARG A 146 5.961 -8.342 -7.903 1.00 1.73 H new ATOM 0 HH12 ARG A 146 5.466 -8.913 -9.499 1.00 1.73 H new ATOM 0 HH21 ARG A 146 2.839 -10.920 -8.275 1.00 2.78 H new ATOM 0 HH22 ARG A 146 3.709 -10.365 -9.709 1.00 2.78 H new ATOM 436 N CYS A 147 1.202 -8.526 -2.103 1.00 0.42 N ATOM 437 CA CYS A 147 1.151 -9.397 -0.950 1.00 0.43 C ATOM 438 C CYS A 147 1.874 -10.695 -1.260 1.00 0.52 C ATOM 439 O CYS A 147 1.686 -11.291 -2.340 1.00 0.53 O ATOM 440 CB CYS A 147 -0.288 -9.663 -0.517 1.00 0.43 C ATOM 441 SG CYS A 147 -0.798 -11.406 -0.596 1.00 0.68 S ATOM 0 H CYS A 147 0.365 -8.532 -2.685 1.00 0.42 H new ATOM 0 HA CYS A 147 1.651 -8.902 -0.118 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.417 -9.307 0.505 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -0.956 -9.075 -1.146 1.00 0.43 H new ATOM 446 N ALA A 148 2.710 -11.101 -0.308 1.00 0.67 N ATOM 447 CA ALA A 148 3.546 -12.283 -0.429 1.00 0.82 C ATOM 448 C ALA A 148 2.740 -13.569 -0.279 1.00 0.84 C ATOM 449 O ALA A 148 3.237 -14.660 -0.568 1.00 0.98 O ATOM 450 CB ALA A 148 4.651 -12.230 0.614 1.00 1.02 C ATOM 0 H ALA A 148 2.824 -10.610 0.578 1.00 0.67 H new ATOM 0 HA ALA A 148 3.981 -12.289 -1.429 1.00 0.82 H new ATOM 0 HB1 ALA A 148 5.279 -13.116 0.524 1.00 1.02 H new ATOM 0 HB2 ALA A 148 5.258 -11.338 0.456 1.00 1.02 H new ATOM 0 HB3 ALA A 148 4.210 -12.197 1.610 1.00 1.02 H new ATOM 456 N ILE A 149 1.499 -13.444 0.173 1.00 0.76 N ATOM 457 CA ILE A 149 0.656 -14.613 0.389 1.00 0.84 C ATOM 458 C ILE A 149 0.297 -15.265 -0.940 1.00 0.85 C ATOM 459 O ILE A 149 0.312 -16.491 -1.064 1.00 1.00 O ATOM 460 CB ILE A 149 -0.643 -14.265 1.155 1.00 0.82 C ATOM 461 CG1 ILE A 149 -0.314 -13.733 2.550 1.00 0.86 C ATOM 462 CG2 ILE A 149 -1.559 -15.478 1.250 1.00 0.97 C ATOM 463 CD1 ILE A 149 -1.536 -13.377 3.376 1.00 1.02 C ATOM 0 H ILE A 149 1.056 -12.552 0.396 1.00 0.76 H new ATOM 0 HA ILE A 149 1.232 -15.308 0.999 1.00 0.84 H new ATOM 0 HB ILE A 149 -1.167 -13.487 0.600 1.00 0.82 H new ATOM 0 HG12 ILE A 149 0.269 -14.482 3.086 1.00 0.86 H new ATOM 0 HG13 ILE A 149 0.316 -12.849 2.452 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -2.465 -15.208 1.793 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -1.823 -15.814 0.247 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -1.045 -16.281 1.778 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -1.221 -13.007 4.352 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -2.109 -12.605 2.863 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -2.157 -14.263 3.507 1.00 1.02 H new ATOM 475 N CYS A 150 -0.009 -14.450 -1.938 1.00 0.73 N ATOM 476 CA CYS A 150 -0.390 -14.976 -3.228 1.00 0.79 C ATOM 477 C CYS A 150 0.587 -14.516 -4.312 1.00 0.75 C ATOM 478 O CYS A 150 0.791 -15.197 -5.322 1.00 0.87 O ATOM 479 CB CYS A 150 -1.806 -14.521 -3.568 1.00 0.78 C ATOM 480 SG CYS A 150 -1.940 -12.744 -3.904 1.00 0.82 S ATOM 0 H CYS A 150 0.000 -13.432 -1.875 1.00 0.73 H new ATOM 0 HA CYS A 150 -0.361 -16.065 -3.185 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -2.156 -15.074 -4.440 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -2.469 -14.776 -2.741 1.00 0.78 H new ATOM 485 N GLY A 151 1.199 -13.361 -4.079 1.00 0.66 N ATOM 486 CA GLY A 151 2.080 -12.770 -5.060 1.00 0.70 C ATOM 487 C GLY A 151 1.357 -11.745 -5.908 1.00 0.66 C ATOM 488 O GLY A 151 1.779 -11.445 -7.024 1.00 0.76 O ATOM 0 H GLY A 151 1.097 -12.822 -3.219 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.923 -12.297 -4.556 1.00 0.70 H new ATOM 0 HA3 GLY A 151 2.489 -13.551 -5.701 1.00 0.70 H new ATOM 492 N LYS A 152 0.279 -11.190 -5.371 1.00 0.58 N ATOM 493 CA LYS A 152 -0.569 -10.273 -6.142 1.00 0.64 C ATOM 494 C LYS A 152 -0.074 -8.839 -6.059 1.00 0.56 C ATOM 495 O LYS A 152 -0.024 -8.253 -4.980 1.00 0.50 O ATOM 496 CB LYS A 152 -2.027 -10.345 -5.674 1.00 0.80 C ATOM 497 CG LYS A 152 -2.947 -9.276 -6.248 1.00 0.89 C ATOM 498 CD LYS A 152 -3.053 -9.354 -7.759 1.00 1.39 C ATOM 499 CE LYS A 152 -4.140 -8.425 -8.281 1.00 1.75 C ATOM 500 NZ LYS A 152 -3.987 -7.034 -7.775 1.00 2.37 N ATOM 0 H LYS A 152 -0.032 -11.353 -4.413 1.00 0.58 H new ATOM 0 HA LYS A 152 -0.513 -10.593 -7.183 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -2.428 -11.324 -5.935 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.047 -10.272 -4.587 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -3.940 -9.382 -5.811 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -2.577 -8.291 -5.963 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -2.096 -9.088 -8.208 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -3.271 -10.379 -8.059 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -4.115 -8.417 -9.371 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -5.116 -8.811 -7.987 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -4.652 -6.408 -8.273 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -4.188 -7.012 -6.755 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -3.014 -6.708 -7.944 1.00 2.37 H new ATOM 514 N SER A 153 0.284 -8.284 -7.209 1.00 0.67 N ATOM 515 CA SER A 153 0.699 -6.896 -7.298 1.00 0.73 C ATOM 516 C SER A 153 -0.491 -5.969 -7.053 1.00 0.76 C ATOM 517 O SER A 153 -1.500 -6.040 -7.760 1.00 0.94 O ATOM 518 CB SER A 153 1.315 -6.642 -8.672 1.00 0.91 C ATOM 519 OG SER A 153 0.513 -7.223 -9.693 1.00 1.46 O ATOM 0 H SER A 153 0.294 -8.782 -8.099 1.00 0.67 H new ATOM 0 HA SER A 153 1.446 -6.689 -6.532 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.410 -5.569 -8.842 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.321 -7.061 -8.709 1.00 0.91 H new ATOM 0 HG SER A 153 -0.431 -7.180 -9.432 1.00 1.46 H new ATOM 525 N LEU A 154 -0.373 -5.121 -6.049 1.00 0.71 N ATOM 526 CA LEU A 154 -1.466 -4.267 -5.619 1.00 0.76 C ATOM 527 C LEU A 154 -1.346 -2.885 -6.241 1.00 0.92 C ATOM 528 O LEU A 154 -0.250 -2.346 -6.379 1.00 1.13 O ATOM 529 CB LEU A 154 -1.455 -4.163 -4.095 1.00 0.70 C ATOM 530 CG LEU A 154 -1.468 -5.511 -3.373 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.314 -5.323 -1.876 1.00 0.85 C ATOM 532 CD2 LEU A 154 -2.750 -6.256 -3.688 1.00 0.86 C ATOM 0 H LEU A 154 0.484 -5.004 -5.508 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.409 -4.704 -5.948 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -0.569 -3.607 -3.787 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -2.322 -3.584 -3.776 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.623 -6.102 -3.726 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -1.326 -6.296 -1.384 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.368 -4.823 -1.668 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -2.137 -4.715 -1.499 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -2.750 -7.215 -3.170 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.605 -5.665 -3.359 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -2.818 -6.425 -4.763 1.00 0.86 H new ATOM 544 N GLU A 155 -2.480 -2.320 -6.620 1.00 1.24 N ATOM 545 CA GLU A 155 -2.502 -1.016 -7.258 1.00 1.53 C ATOM 546 C GLU A 155 -3.113 0.032 -6.327 1.00 1.73 C ATOM 547 O GLU A 155 -3.254 -0.210 -5.126 1.00 2.45 O ATOM 548 CB GLU A 155 -3.273 -1.094 -8.576 1.00 1.96 C ATOM 549 CG GLU A 155 -4.691 -1.623 -8.431 1.00 2.39 C ATOM 550 CD GLU A 155 -5.367 -1.840 -9.768 1.00 3.01 C ATOM 551 OE1 GLU A 155 -5.645 -0.847 -10.466 1.00 3.46 O ATOM 552 OE2 GLU A 155 -5.636 -3.004 -10.122 1.00 3.54 O ATOM 0 H GLU A 155 -3.399 -2.745 -6.496 1.00 1.24 H new ATOM 0 HA GLU A 155 -1.478 -0.712 -7.473 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -3.310 -0.100 -9.023 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -2.726 -1.734 -9.268 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -4.670 -2.564 -7.881 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -5.279 -0.921 -7.840 1.00 2.39 H new ATOM 559 N SER A 156 -3.481 1.178 -6.891 1.00 1.83 N ATOM 560 CA SER A 156 -3.990 2.308 -6.118 1.00 2.22 C ATOM 561 C SER A 156 -5.156 1.908 -5.208 1.00 1.96 C ATOM 562 O SER A 156 -6.234 1.551 -5.681 1.00 2.65 O ATOM 563 CB SER A 156 -4.429 3.415 -7.074 1.00 3.04 C ATOM 564 OG SER A 156 -3.403 3.702 -8.010 1.00 3.58 O ATOM 0 H SER A 156 -3.435 1.350 -7.895 1.00 1.83 H new ATOM 0 HA SER A 156 -3.186 2.664 -5.473 1.00 2.22 H new ATOM 0 HB2 SER A 156 -5.334 3.111 -7.600 1.00 3.04 H new ATOM 0 HB3 SER A 156 -4.675 4.314 -6.509 1.00 3.04 H new ATOM 0 HG SER A 156 -3.702 4.412 -8.616 1.00 3.58 H new ATOM 570 N THR A 157 -4.905 1.944 -3.899 1.00 1.62 N ATOM 571 CA THR A 157 -5.933 1.701 -2.882 1.00 1.69 C ATOM 572 C THR A 157 -6.418 0.242 -2.906 1.00 1.51 C ATOM 573 O THR A 157 -7.432 -0.106 -2.299 1.00 2.11 O ATOM 574 CB THR A 157 -7.130 2.667 -3.060 1.00 2.15 C ATOM 575 OG1 THR A 157 -6.646 3.977 -3.399 1.00 2.66 O ATOM 576 CG2 THR A 157 -7.956 2.762 -1.783 1.00 2.67 C ATOM 0 H THR A 157 -3.983 2.143 -3.512 1.00 1.62 H new ATOM 0 HA THR A 157 -5.476 1.889 -1.910 1.00 1.69 H new ATOM 0 HB THR A 157 -7.762 2.277 -3.858 1.00 2.15 H new ATOM 0 HG1 THR A 157 -7.405 4.587 -3.513 1.00 2.66 H new ATOM 0 HG21 THR A 157 -8.789 3.447 -1.939 1.00 2.67 H new ATOM 0 HG22 THR A 157 -8.341 1.776 -1.525 1.00 2.67 H new ATOM 0 HG23 THR A 157 -7.329 3.131 -0.971 1.00 2.67 H new ATOM 584 N ASN A 158 -5.680 -0.608 -3.601 1.00 1.17 N ATOM 585 CA ASN A 158 -5.986 -2.034 -3.645 1.00 1.14 C ATOM 586 C ASN A 158 -5.135 -2.755 -2.604 1.00 0.94 C ATOM 587 O ASN A 158 -5.316 -3.938 -2.315 1.00 1.16 O ATOM 588 CB ASN A 158 -5.731 -2.577 -5.062 1.00 1.38 C ATOM 589 CG ASN A 158 -6.035 -4.057 -5.209 1.00 1.61 C ATOM 590 OD1 ASN A 158 -5.140 -4.896 -5.149 1.00 2.30 O ATOM 591 ND2 ASN A 158 -7.302 -4.385 -5.407 1.00 2.09 N ATOM 0 H ASN A 158 -4.861 -0.337 -4.145 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.037 -2.205 -3.410 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -6.340 -2.017 -5.772 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -4.689 -2.400 -5.328 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -7.564 -5.365 -5.516 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -8.016 -3.658 -5.451 1.00 2.09 H new ATOM 598 N VAL A 159 -4.235 -1.989 -2.009 1.00 0.79 N ATOM 599 CA VAL A 159 -3.312 -2.494 -1.010 1.00 0.72 C ATOM 600 C VAL A 159 -3.877 -2.332 0.397 1.00 0.69 C ATOM 601 O VAL A 159 -4.637 -1.402 0.671 1.00 0.83 O ATOM 602 CB VAL A 159 -1.961 -1.750 -1.106 1.00 0.94 C ATOM 603 CG1 VAL A 159 -2.150 -0.247 -0.942 1.00 1.27 C ATOM 604 CG2 VAL A 159 -0.968 -2.281 -0.087 1.00 1.59 C ATOM 0 H VAL A 159 -4.125 -0.995 -2.208 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.162 -3.556 -1.205 1.00 0.72 H new ATOM 0 HB VAL A 159 -1.554 -1.934 -2.100 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -1.183 0.251 -1.014 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -2.809 0.125 -1.727 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -2.593 -0.040 0.032 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -0.027 -1.738 -0.179 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.369 -2.145 0.917 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -0.794 -3.342 -0.267 1.00 1.59 H new ATOM 614 N THR A 160 -3.522 -3.253 1.277 1.00 0.62 N ATOM 615 CA THR A 160 -3.855 -3.127 2.678 1.00 0.67 C ATOM 616 C THR A 160 -2.592 -3.268 3.522 1.00 0.70 C ATOM 617 O THR A 160 -1.703 -4.049 3.184 1.00 0.81 O ATOM 618 CB THR A 160 -4.893 -4.183 3.112 1.00 0.71 C ATOM 619 OG1 THR A 160 -5.936 -4.268 2.133 1.00 1.16 O ATOM 620 CG2 THR A 160 -5.497 -3.834 4.461 1.00 1.08 C ATOM 0 H THR A 160 -3.001 -4.098 1.041 1.00 0.62 H new ATOM 0 HA THR A 160 -4.295 -2.142 2.832 1.00 0.67 H new ATOM 0 HB THR A 160 -4.384 -5.143 3.198 1.00 0.71 H new ATOM 0 HG1 THR A 160 -5.971 -5.178 1.770 1.00 1.16 H new ATOM 0 HG21 THR A 160 -6.225 -4.595 4.742 1.00 1.08 H new ATOM 0 HG22 THR A 160 -4.709 -3.791 5.213 1.00 1.08 H new ATOM 0 HG23 THR A 160 -5.992 -2.865 4.398 1.00 1.08 H new ATOM 628 N ASP A 161 -2.507 -2.510 4.602 1.00 0.82 N ATOM 629 CA ASP A 161 -1.322 -2.521 5.449 1.00 0.93 C ATOM 630 C ASP A 161 -1.579 -3.336 6.709 1.00 0.96 C ATOM 631 O ASP A 161 -2.599 -3.151 7.374 1.00 1.06 O ATOM 632 CB ASP A 161 -0.944 -1.089 5.831 1.00 1.18 C ATOM 633 CG ASP A 161 0.377 -0.998 6.566 1.00 1.61 C ATOM 634 OD1 ASP A 161 0.432 -1.348 7.764 1.00 2.13 O ATOM 635 OD2 ASP A 161 1.364 -0.539 5.953 1.00 2.27 O ATOM 0 H ASP A 161 -3.244 -1.878 4.915 1.00 0.82 H new ATOM 0 HA ASP A 161 -0.501 -2.977 4.895 1.00 0.93 H new ATOM 0 HB2 ASP A 161 -0.893 -0.480 4.928 1.00 1.18 H new ATOM 0 HB3 ASP A 161 -1.731 -0.667 6.456 1.00 1.18 H new ATOM 640 N LYS A 162 -0.667 -4.245 7.023 1.00 0.98 N ATOM 641 CA LYS A 162 -0.769 -5.041 8.236 1.00 1.10 C ATOM 642 C LYS A 162 0.605 -5.206 8.889 1.00 1.22 C ATOM 643 O LYS A 162 1.402 -6.049 8.474 1.00 1.27 O ATOM 644 CB LYS A 162 -1.360 -6.419 7.923 1.00 1.17 C ATOM 645 CG LYS A 162 -1.770 -7.199 9.164 1.00 1.55 C ATOM 646 CD LYS A 162 -3.026 -6.616 9.794 1.00 1.86 C ATOM 647 CE LYS A 162 -3.351 -7.280 11.123 1.00 2.36 C ATOM 648 NZ LYS A 162 -2.454 -6.818 12.210 1.00 2.95 N ATOM 0 H LYS A 162 0.153 -4.449 6.453 1.00 0.98 H new ATOM 0 HA LYS A 162 -1.429 -4.519 8.929 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -2.230 -6.295 7.278 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.628 -7.001 7.363 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -1.944 -8.242 8.899 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -0.957 -7.186 9.890 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -2.893 -5.545 9.946 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -3.866 -6.739 9.111 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -4.386 -7.066 11.391 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -3.266 -8.362 11.018 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -2.688 -7.320 13.090 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -1.466 -7.014 11.952 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -2.578 -5.795 12.352 1.00 2.95 H new ATOM 662 N ASP A 163 0.880 -4.368 9.885 1.00 1.37 N ATOM 663 CA ASP A 163 2.098 -4.464 10.703 1.00 1.58 C ATOM 664 C ASP A 163 3.361 -4.297 9.861 1.00 1.48 C ATOM 665 O ASP A 163 4.419 -4.842 10.189 1.00 1.94 O ATOM 666 CB ASP A 163 2.151 -5.799 11.462 1.00 1.83 C ATOM 667 CG ASP A 163 1.020 -5.965 12.459 1.00 2.42 C ATOM 668 OD1 ASP A 163 0.979 -5.206 13.449 1.00 2.80 O ATOM 669 OD2 ASP A 163 0.155 -6.841 12.254 1.00 2.97 O ATOM 0 H ASP A 163 0.266 -3.599 10.153 1.00 1.37 H new ATOM 0 HA ASP A 163 2.059 -3.648 11.425 1.00 1.58 H new ATOM 0 HB2 ASP A 163 2.118 -6.619 10.745 1.00 1.83 H new ATOM 0 HB3 ASP A 163 3.103 -5.873 11.987 1.00 1.83 H new ATOM 674 N GLY A 164 3.250 -3.549 8.775 1.00 1.41 N ATOM 675 CA GLY A 164 4.404 -3.296 7.937 1.00 1.46 C ATOM 676 C GLY A 164 4.395 -4.111 6.662 1.00 1.29 C ATOM 677 O GLY A 164 5.113 -3.794 5.713 1.00 1.45 O ATOM 0 H GLY A 164 2.384 -3.113 8.459 1.00 1.41 H new ATOM 0 HA2 GLY A 164 4.438 -2.236 7.685 1.00 1.46 H new ATOM 0 HA3 GLY A 164 5.311 -3.519 8.499 1.00 1.46 H new ATOM 681 N GLU A 165 3.592 -5.164 6.634 1.00 1.10 N ATOM 682 CA GLU A 165 3.482 -5.999 5.449 1.00 1.01 C ATOM 683 C GLU A 165 2.207 -5.651 4.690 1.00 0.86 C ATOM 684 O GLU A 165 1.182 -5.325 5.292 1.00 0.92 O ATOM 685 CB GLU A 165 3.513 -7.485 5.829 1.00 1.13 C ATOM 686 CG GLU A 165 3.629 -8.418 4.635 1.00 1.48 C ATOM 687 CD GLU A 165 4.718 -7.992 3.674 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.869 -8.422 3.856 1.00 2.17 O ATOM 689 OE2 GLU A 165 4.429 -7.234 2.723 1.00 2.21 O ATOM 0 H GLU A 165 3.009 -5.460 7.417 1.00 1.10 H new ATOM 0 HA GLU A 165 4.335 -5.808 4.798 1.00 1.01 H new ATOM 0 HB2 GLU A 165 4.353 -7.662 6.500 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.606 -7.728 6.383 1.00 1.13 H new ATOM 0 HG2 GLU A 165 3.833 -9.429 4.986 1.00 1.48 H new ATOM 0 HG3 GLU A 165 2.675 -8.450 4.108 1.00 1.48 H new ATOM 696 N LEU A 166 2.277 -5.706 3.373 1.00 0.77 N ATOM 697 CA LEU A 166 1.158 -5.318 2.530 1.00 0.65 C ATOM 698 C LEU A 166 0.410 -6.550 2.045 1.00 0.55 C ATOM 699 O LEU A 166 1.023 -7.521 1.602 1.00 0.63 O ATOM 700 CB LEU A 166 1.633 -4.483 1.331 1.00 0.71 C ATOM 701 CG LEU A 166 2.227 -3.101 1.653 1.00 0.86 C ATOM 702 CD1 LEU A 166 1.337 -2.339 2.623 1.00 1.25 C ATOM 703 CD2 LEU A 166 3.633 -3.224 2.214 1.00 1.21 C ATOM 0 H LEU A 166 3.102 -6.017 2.860 1.00 0.77 H new ATOM 0 HA LEU A 166 0.483 -4.705 3.127 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.383 -5.059 0.789 1.00 0.71 H new ATOM 0 HB3 LEU A 166 0.789 -4.343 0.656 1.00 0.71 H new ATOM 0 HG LEU A 166 2.280 -2.541 0.719 1.00 0.86 H new ATOM 0 HD11 LEU A 166 1.779 -1.365 2.834 1.00 1.25 H new ATOM 0 HD12 LEU A 166 0.351 -2.201 2.180 1.00 1.25 H new ATOM 0 HD13 LEU A 166 1.243 -2.904 3.551 1.00 1.25 H new ATOM 0 HD21 LEU A 166 4.026 -2.231 2.432 1.00 1.21 H new ATOM 0 HD22 LEU A 166 3.609 -3.814 3.130 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.275 -3.716 1.483 1.00 1.21 H new ATOM 715 N TYR A 167 -0.912 -6.505 2.142 1.00 0.46 N ATOM 716 CA TYR A 167 -1.759 -7.616 1.723 1.00 0.38 C ATOM 717 C TYR A 167 -2.877 -7.129 0.812 1.00 0.33 C ATOM 718 O TYR A 167 -3.299 -5.974 0.892 1.00 0.45 O ATOM 719 CB TYR A 167 -2.363 -8.322 2.942 1.00 0.46 C ATOM 720 CG TYR A 167 -1.341 -9.006 3.818 1.00 0.62 C ATOM 721 CD1 TYR A 167 -0.457 -9.941 3.295 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.267 -8.721 5.175 1.00 0.79 C ATOM 723 CE1 TYR A 167 0.474 -10.566 4.097 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.339 -9.343 5.983 1.00 0.97 C ATOM 725 CZ TYR A 167 0.542 -10.269 5.419 1.00 1.03 C ATOM 726 OH TYR A 167 1.462 -10.874 6.239 1.00 1.23 O ATOM 0 H TYR A 167 -1.425 -5.704 2.510 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.137 -8.322 1.173 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.909 -7.592 3.539 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.088 -9.061 2.600 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -0.500 -10.182 2.243 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.947 -8.000 5.604 1.00 0.79 H new ATOM 0 HE1 TYR A 167 1.150 -11.293 3.672 1.00 0.94 H new ATOM 0 HE2 TYR A 167 -0.294 -9.117 7.038 1.00 0.97 H new ATOM 0 HH TYR A 167 1.360 -10.533 7.152 1.00 1.23 H new ATOM 736 N CYS A 168 -3.344 -8.014 -0.060 1.00 0.30 N ATOM 737 CA CYS A 168 -4.442 -7.712 -0.968 1.00 0.38 C ATOM 738 C CYS A 168 -5.737 -7.496 -0.203 1.00 0.45 C ATOM 739 O CYS A 168 -5.850 -7.899 0.948 1.00 0.47 O ATOM 740 CB CYS A 168 -4.632 -8.868 -1.937 1.00 0.46 C ATOM 741 SG CYS A 168 -3.095 -9.403 -2.736 1.00 0.52 S ATOM 0 H CYS A 168 -2.973 -8.959 -0.157 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.195 -6.799 -1.509 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.067 -9.712 -1.402 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.348 -8.574 -2.705 1.00 0.46 H new ATOM 746 N LYS A 169 -6.720 -6.883 -0.845 1.00 0.60 N ATOM 747 CA LYS A 169 -8.038 -6.733 -0.239 1.00 0.72 C ATOM 748 C LYS A 169 -8.708 -8.098 -0.083 1.00 0.69 C ATOM 749 O LYS A 169 -9.469 -8.330 0.857 1.00 0.75 O ATOM 750 CB LYS A 169 -8.916 -5.802 -1.079 1.00 0.94 C ATOM 751 CG LYS A 169 -8.428 -4.360 -1.101 1.00 1.57 C ATOM 752 CD LYS A 169 -8.380 -3.765 0.300 1.00 1.97 C ATOM 753 CE LYS A 169 -7.837 -2.344 0.294 1.00 2.66 C ATOM 754 NZ LYS A 169 -7.587 -1.842 1.674 1.00 3.12 N ATOM 0 H LYS A 169 -6.633 -6.483 -1.779 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.914 -6.289 0.749 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -8.957 -6.179 -2.101 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -9.934 -5.827 -0.689 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -7.435 -4.318 -1.549 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -9.087 -3.761 -1.729 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -9.381 -3.769 0.731 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -7.755 -4.390 0.939 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -6.910 -2.312 -0.278 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -8.545 -1.686 -0.209 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -7.139 -0.905 1.627 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -8.489 -1.769 2.186 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -6.958 -2.501 2.175 1.00 3.12 H new ATOM 768 N VAL A 170 -8.397 -9.005 -1.004 1.00 0.70 N ATOM 769 CA VAL A 170 -8.937 -10.359 -0.971 1.00 0.77 C ATOM 770 C VAL A 170 -8.224 -11.192 0.092 1.00 0.69 C ATOM 771 O VAL A 170 -8.858 -11.877 0.891 1.00 0.78 O ATOM 772 CB VAL A 170 -8.796 -11.054 -2.346 1.00 0.88 C ATOM 773 CG1 VAL A 170 -9.417 -12.445 -2.320 1.00 1.02 C ATOM 774 CG2 VAL A 170 -9.424 -10.204 -3.442 1.00 1.02 C ATOM 0 H VAL A 170 -7.769 -8.824 -1.787 1.00 0.70 H new ATOM 0 HA VAL A 170 -9.996 -10.284 -0.725 1.00 0.77 H new ATOM 0 HB VAL A 170 -7.733 -11.164 -2.563 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -9.305 -12.912 -3.298 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -8.915 -13.053 -1.568 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -10.476 -12.366 -2.075 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -9.315 -10.709 -4.402 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -10.483 -10.057 -3.227 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -8.925 -9.236 -3.483 1.00 1.02 H new ATOM 784 N CYS A 171 -6.900 -11.116 0.101 1.00 0.58 N ATOM 785 CA CYS A 171 -6.097 -11.836 1.075 1.00 0.59 C ATOM 786 C CYS A 171 -6.297 -11.260 2.481 1.00 0.57 C ATOM 787 O CYS A 171 -6.202 -11.977 3.479 1.00 0.66 O ATOM 788 CB CYS A 171 -4.631 -11.796 0.638 1.00 0.58 C ATOM 789 SG CYS A 171 -4.371 -12.506 -1.026 1.00 0.80 S ATOM 0 H CYS A 171 -6.359 -10.559 -0.560 1.00 0.58 H new ATOM 0 HA CYS A 171 -6.416 -12.877 1.120 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.282 -10.764 0.647 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.026 -12.343 1.361 1.00 0.58 H new ATOM 794 N TYR A 172 -6.595 -9.967 2.545 1.00 0.51 N ATOM 795 CA TYR A 172 -6.963 -9.310 3.796 1.00 0.59 C ATOM 796 C TYR A 172 -8.211 -9.953 4.399 1.00 0.67 C ATOM 797 O TYR A 172 -8.311 -10.122 5.616 1.00 0.76 O ATOM 798 CB TYR A 172 -7.193 -7.812 3.543 1.00 0.65 C ATOM 799 CG TYR A 172 -8.032 -7.106 4.587 1.00 0.89 C ATOM 800 CD1 TYR A 172 -7.474 -6.651 5.776 1.00 1.29 C ATOM 801 CD2 TYR A 172 -9.391 -6.890 4.378 1.00 1.24 C ATOM 802 CE1 TYR A 172 -8.248 -6.005 6.725 1.00 1.57 C ATOM 803 CE2 TYR A 172 -10.167 -6.246 5.319 1.00 1.45 C ATOM 804 CZ TYR A 172 -9.594 -5.806 6.489 1.00 1.48 C ATOM 805 OH TYR A 172 -10.371 -5.171 7.431 1.00 1.78 O ATOM 0 H TYR A 172 -6.589 -9.346 1.736 1.00 0.51 H new ATOM 0 HA TYR A 172 -6.148 -9.429 4.511 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -6.224 -7.317 3.482 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -7.673 -7.693 2.572 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -6.421 -6.804 5.962 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -9.847 -7.233 3.461 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -7.801 -5.658 7.645 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -11.220 -6.088 5.138 1.00 1.45 H new ATOM 0 HH TYR A 172 -11.294 -5.111 7.107 1.00 1.78 H new ATOM 815 N ALA A 173 -9.150 -10.327 3.537 1.00 0.72 N ATOM 816 CA ALA A 173 -10.392 -10.954 3.973 1.00 0.87 C ATOM 817 C ALA A 173 -10.125 -12.310 4.615 1.00 0.91 C ATOM 818 O ALA A 173 -10.907 -12.783 5.435 1.00 1.05 O ATOM 819 CB ALA A 173 -11.359 -11.091 2.806 1.00 1.05 C ATOM 0 H ALA A 173 -9.074 -10.206 2.527 1.00 0.72 H new ATOM 0 HA ALA A 173 -10.849 -10.312 4.726 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -12.280 -11.561 3.150 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -11.584 -10.104 2.402 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -10.906 -11.706 2.029 1.00 1.05 H new ATOM 825 N LYS A 174 -9.016 -12.932 4.239 1.00 0.89 N ATOM 826 CA LYS A 174 -8.622 -14.203 4.825 1.00 1.06 C ATOM 827 C LYS A 174 -8.166 -14.003 6.267 1.00 1.08 C ATOM 828 O LYS A 174 -8.484 -14.801 7.147 1.00 1.27 O ATOM 829 CB LYS A 174 -7.512 -14.855 3.992 1.00 1.17 C ATOM 830 CG LYS A 174 -7.049 -16.202 4.530 1.00 1.67 C ATOM 831 CD LYS A 174 -8.189 -17.206 4.603 1.00 2.21 C ATOM 832 CE LYS A 174 -8.733 -17.550 3.228 1.00 2.63 C ATOM 833 NZ LYS A 174 -9.909 -18.458 3.307 1.00 3.36 N ATOM 0 H LYS A 174 -8.374 -12.576 3.531 1.00 0.89 H new ATOM 0 HA LYS A 174 -9.485 -14.869 4.826 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -7.867 -14.985 2.970 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -6.658 -14.179 3.949 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -6.259 -16.596 3.891 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -6.619 -16.068 5.523 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -7.840 -18.115 5.093 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -8.991 -16.800 5.219 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -9.016 -16.634 2.710 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -7.949 -18.022 2.635 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -10.250 -18.668 2.347 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -9.633 -19.343 3.778 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -10.667 -17.998 3.851 1.00 3.36 H new ATOM 847 N ASN A 175 -7.430 -12.922 6.507 1.00 1.04 N ATOM 848 CA ASN A 175 -6.963 -12.601 7.852 1.00 1.24 C ATOM 849 C ASN A 175 -8.115 -12.105 8.712 1.00 1.33 C ATOM 850 O ASN A 175 -8.259 -12.506 9.869 1.00 1.56 O ATOM 851 CB ASN A 175 -5.861 -11.539 7.809 1.00 1.47 C ATOM 852 CG ASN A 175 -4.516 -12.089 7.373 1.00 1.90 C ATOM 853 OD1 ASN A 175 -4.218 -13.325 7.749 1.00 2.65 O flip ATOM 854 ND2 ASN A 175 -3.737 -11.394 6.721 1.00 2.25 N flip ATOM 0 H ASN A 175 -7.145 -12.255 5.790 1.00 1.04 H new ATOM 0 HA ASN A 175 -6.555 -13.512 8.290 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -6.159 -10.743 7.126 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.759 -11.090 8.797 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -4.003 -10.447 6.450 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -2.826 -11.765 6.451 1.00 2.25 H new ATOM 861 N PHE A 176 -8.942 -11.247 8.133 1.00 1.30 N ATOM 862 CA PHE A 176 -10.066 -10.654 8.842 1.00 1.58 C ATOM 863 C PHE A 176 -11.380 -11.180 8.286 1.00 2.55 C ATOM 864 O PHE A 176 -12.145 -10.440 7.664 1.00 3.04 O ATOM 865 CB PHE A 176 -10.020 -9.126 8.745 1.00 1.55 C ATOM 866 CG PHE A 176 -8.884 -8.507 9.506 1.00 2.24 C ATOM 867 CD1 PHE A 176 -7.613 -8.468 8.961 1.00 2.85 C ATOM 868 CD2 PHE A 176 -9.085 -7.970 10.767 1.00 2.73 C ATOM 869 CE1 PHE A 176 -6.563 -7.905 9.659 1.00 3.93 C ATOM 870 CE2 PHE A 176 -8.041 -7.404 11.468 1.00 3.72 C ATOM 871 CZ PHE A 176 -6.786 -7.357 10.915 1.00 4.32 C ATOM 0 H PHE A 176 -8.854 -10.943 7.163 1.00 1.30 H new ATOM 0 HA PHE A 176 -9.995 -10.934 9.893 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -9.942 -8.840 7.696 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -10.960 -8.719 9.118 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -7.440 -8.882 7.979 1.00 2.85 H new ATOM 0 HD2 PHE A 176 -10.071 -7.995 11.206 1.00 2.73 H new ATOM 0 HE1 PHE A 176 -5.572 -7.891 9.230 1.00 3.93 H new ATOM 0 HE2 PHE A 176 -8.211 -6.997 12.454 1.00 3.72 H new ATOM 0 HZ PHE A 176 -5.973 -6.895 11.456 1.00 4.32 H new TER 881 PHE A 176 HETATM 882 ZN ZN A 190 -2.554 -11.528 -2.048 1.00 0.51 ZN HETATM 883 ZN ZN A 191 11.258 -4.299 -5.324 1.00 0.75 ZN