USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 304 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 123 HIS HE2 : A 123 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 127 HIS HE2 : A 127 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 103 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.192) USER MOD Set 1.2: A 113 SER OG : rot 180:sc= -0.0428 USER MOD Set 2.1: A 95 SER OG : rot 180:sc= 0.585 USER MOD Set 2.2: A 97 SER OG : rot 100:sc= 0.646 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 36:sc= 0.45 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=-0.02) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 163:sc= -0.0285 (180deg=-0.289) USER MOD Single : A 119 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.021) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.871 X(o=-0.87,f=-1.1!) USER MOD Single : A 128 THR OG1 : rot -56:sc= 0.958 USER MOD Single : A 131 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0107) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 93 18.409 -7.977 14.808 1.00 0.00 N ATOM 2 CA GLY A 93 17.356 -8.949 15.036 1.00 0.00 C ATOM 3 C GLY A 93 17.291 -10.000 13.946 1.00 0.00 C ATOM 4 O GLY A 93 17.298 -9.674 12.759 1.00 0.00 O ATOM 0 HA2 GLY A 93 17.518 -9.437 15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.397 -8.434 15.097 1.00 0.00 H new ATOM 8 N SER A 94 17.229 -11.266 14.349 1.00 0.00 N ATOM 9 CA SER A 94 17.168 -12.368 13.396 1.00 0.00 C ATOM 10 C SER A 94 15.820 -13.079 13.474 1.00 0.00 C ATOM 11 O SER A 94 15.088 -12.939 14.453 1.00 0.00 O ATOM 12 CB SER A 94 18.299 -13.364 13.664 1.00 0.00 C ATOM 13 OG SER A 94 18.005 -14.179 14.786 1.00 0.00 O ATOM 0 H SER A 94 17.220 -11.553 15.328 1.00 0.00 H new ATOM 0 HA SER A 94 17.285 -11.957 12.393 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.452 -13.991 12.785 1.00 0.00 H new ATOM 0 HB3 SER A 94 19.230 -12.824 13.837 1.00 0.00 H new ATOM 0 HG SER A 94 18.742 -14.808 14.936 1.00 0.00 H new ATOM 19 N SER A 95 15.500 -13.842 12.433 1.00 0.00 N ATOM 20 CA SER A 95 14.239 -14.572 12.380 1.00 0.00 C ATOM 21 C SER A 95 14.483 -16.078 12.386 1.00 0.00 C ATOM 22 O SER A 95 13.798 -16.826 13.083 1.00 0.00 O ATOM 23 CB SER A 95 13.449 -14.177 11.131 1.00 0.00 C ATOM 24 OG SER A 95 12.372 -15.069 10.905 1.00 0.00 O ATOM 0 H SER A 95 16.096 -13.970 11.616 1.00 0.00 H new ATOM 0 HA SER A 95 13.659 -14.312 13.265 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.067 -13.162 11.244 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.110 -14.174 10.265 1.00 0.00 H new ATOM 0 HG SER A 95 11.882 -14.794 10.102 1.00 0.00 H new ATOM 30 N GLY A 96 15.464 -16.516 11.603 1.00 0.00 N ATOM 31 CA GLY A 96 15.781 -17.930 11.532 1.00 0.00 C ATOM 32 C GLY A 96 14.644 -18.752 10.959 1.00 0.00 C ATOM 33 O GLY A 96 14.186 -19.710 11.581 1.00 0.00 O ATOM 0 H GLY A 96 16.045 -15.917 11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.671 -18.069 10.918 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.022 -18.295 12.530 1.00 0.00 H new ATOM 37 N SER A 97 14.185 -18.375 9.770 1.00 0.00 N ATOM 38 CA SER A 97 13.090 -19.081 9.114 1.00 0.00 C ATOM 39 C SER A 97 13.472 -19.476 7.692 1.00 0.00 C ATOM 40 O SER A 97 14.012 -18.669 6.935 1.00 0.00 O ATOM 41 CB SER A 97 11.833 -18.208 9.093 1.00 0.00 C ATOM 42 OG SER A 97 11.461 -17.818 10.403 1.00 0.00 O ATOM 0 H SER A 97 14.554 -17.585 9.241 1.00 0.00 H new ATOM 0 HA SER A 97 12.885 -19.989 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 97 12.012 -17.322 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.014 -18.756 8.627 1.00 0.00 H new ATOM 0 HG SER A 97 11.766 -16.902 10.571 1.00 0.00 H new ATOM 48 N SER A 98 13.189 -20.725 7.335 1.00 0.00 N ATOM 49 CA SER A 98 13.507 -21.230 6.004 1.00 0.00 C ATOM 50 C SER A 98 12.529 -20.685 4.968 1.00 0.00 C ATOM 51 O SER A 98 11.327 -20.599 5.217 1.00 0.00 O ATOM 52 CB SER A 98 13.475 -22.760 5.996 1.00 0.00 C ATOM 53 OG SER A 98 13.873 -23.271 4.736 1.00 0.00 O ATOM 0 H SER A 98 12.740 -21.405 7.948 1.00 0.00 H new ATOM 0 HA SER A 98 14.510 -20.892 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.135 -23.145 6.773 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.469 -23.107 6.232 1.00 0.00 H new ATOM 0 HG SER A 98 13.846 -24.250 4.757 1.00 0.00 H new ATOM 59 N GLY A 99 13.054 -20.317 3.804 1.00 0.00 N ATOM 60 CA GLY A 99 12.215 -19.784 2.746 1.00 0.00 C ATOM 61 C GLY A 99 12.172 -18.269 2.749 1.00 0.00 C ATOM 62 O GLY A 99 11.102 -17.670 2.634 1.00 0.00 O ATOM 0 H GLY A 99 14.046 -20.378 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.586 -20.132 1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 99 11.203 -20.173 2.858 1.00 0.00 H new ATOM 66 N THR A 100 13.338 -17.645 2.882 1.00 0.00 N ATOM 67 CA THR A 100 13.430 -16.191 2.902 1.00 0.00 C ATOM 68 C THR A 100 14.056 -15.661 1.617 1.00 0.00 C ATOM 69 O THR A 100 15.188 -16.005 1.279 1.00 0.00 O ATOM 70 CB THR A 100 14.256 -15.696 4.104 1.00 0.00 C ATOM 71 OG1 THR A 100 15.563 -16.280 4.073 1.00 0.00 O ATOM 72 CG2 THR A 100 13.569 -16.048 5.415 1.00 0.00 C ATOM 0 H THR A 100 14.233 -18.125 2.978 1.00 0.00 H new ATOM 0 HA THR A 100 12.412 -15.812 2.990 1.00 0.00 H new ATOM 0 HB THR A 100 14.341 -14.611 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 100 15.862 -16.363 3.144 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.171 -15.688 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.586 -15.579 5.448 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.457 -17.130 5.488 1.00 0.00 H new ATOM 80 N GLY A 101 13.312 -14.821 0.903 1.00 0.00 N ATOM 81 CA GLY A 101 13.812 -14.257 -0.337 1.00 0.00 C ATOM 82 C GLY A 101 12.748 -13.487 -1.094 1.00 0.00 C ATOM 83 O GLY A 101 12.232 -13.962 -2.106 1.00 0.00 O ATOM 0 H GLY A 101 12.372 -14.521 1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.650 -13.595 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.195 -15.058 -0.969 1.00 0.00 H new ATOM 87 N GLN A 102 12.418 -12.298 -0.602 1.00 0.00 N ATOM 88 CA GLN A 102 11.407 -11.462 -1.239 1.00 0.00 C ATOM 89 C GLN A 102 11.480 -10.030 -0.721 1.00 0.00 C ATOM 90 O GLN A 102 11.988 -9.778 0.372 1.00 0.00 O ATOM 91 CB GLN A 102 10.011 -12.036 -0.991 1.00 0.00 C ATOM 92 CG GLN A 102 9.550 -11.914 0.452 1.00 0.00 C ATOM 93 CD GLN A 102 8.084 -12.259 0.628 1.00 0.00 C ATOM 94 OE1 GLN A 102 7.452 -12.810 -0.273 1.00 0.00 O ATOM 95 NE2 GLN A 102 7.536 -11.936 1.794 1.00 0.00 N ATOM 0 H GLN A 102 12.835 -11.892 0.235 1.00 0.00 H new ATOM 0 HA GLN A 102 11.603 -11.451 -2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.297 -11.524 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.003 -13.087 -1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.152 -12.572 1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.724 -10.896 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.098 -11.480 2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.553 -12.144 1.971 1.00 0.00 H new ATOM 104 N LYS A 103 10.968 -9.093 -1.512 1.00 0.00 N ATOM 105 CA LYS A 103 10.974 -7.685 -1.135 1.00 0.00 C ATOM 106 C LYS A 103 9.951 -7.412 -0.036 1.00 0.00 C ATOM 107 O LYS A 103 8.876 -8.010 0.007 1.00 0.00 O ATOM 108 CB LYS A 103 10.675 -6.807 -2.353 1.00 0.00 C ATOM 109 CG LYS A 103 11.917 -6.391 -3.121 1.00 0.00 C ATOM 110 CD LYS A 103 12.794 -7.586 -3.454 1.00 0.00 C ATOM 111 CE LYS A 103 14.239 -7.171 -3.685 1.00 0.00 C ATOM 112 NZ LYS A 103 14.339 -5.988 -4.584 1.00 0.00 N ATOM 0 H LYS A 103 10.543 -9.284 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 103 11.966 -7.441 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 103 10.006 -7.346 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.144 -5.913 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.624 -5.886 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 103 12.487 -5.673 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 103 12.748 -8.310 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 103 12.410 -8.083 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 103 14.708 -6.941 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 103 14.791 -8.005 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 15.322 -5.880 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 13.717 -6.123 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 14.048 -5.134 -4.067 1.00 0.00 H new ATOM 126 N PRO A 104 10.291 -6.487 0.874 1.00 0.00 N ATOM 127 CA PRO A 104 9.416 -6.113 1.988 1.00 0.00 C ATOM 128 C PRO A 104 8.183 -5.345 1.524 1.00 0.00 C ATOM 129 O PRO A 104 7.262 -5.099 2.303 1.00 0.00 O ATOM 130 CB PRO A 104 10.306 -5.220 2.855 1.00 0.00 C ATOM 131 CG PRO A 104 11.318 -4.664 1.913 1.00 0.00 C ATOM 132 CD PRO A 104 11.557 -5.734 0.884 1.00 0.00 C ATOM 0 HA PRO A 104 9.027 -6.987 2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 104 9.728 -4.426 3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.780 -5.790 3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 104 10.955 -3.748 1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.241 -4.412 2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.779 -5.308 -0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.400 -6.370 1.154 1.00 0.00 H new ATOM 140 N PHE A 105 8.171 -4.969 0.249 1.00 0.00 N ATOM 141 CA PHE A 105 7.050 -4.228 -0.319 1.00 0.00 C ATOM 142 C PHE A 105 6.869 -4.564 -1.796 1.00 0.00 C ATOM 143 O PHE A 105 7.698 -4.203 -2.631 1.00 0.00 O ATOM 144 CB PHE A 105 7.269 -2.723 -0.150 1.00 0.00 C ATOM 145 CG PHE A 105 7.702 -2.332 1.234 1.00 0.00 C ATOM 146 CD1 PHE A 105 6.770 -2.173 2.247 1.00 0.00 C ATOM 147 CD2 PHE A 105 9.041 -2.123 1.522 1.00 0.00 C ATOM 148 CE1 PHE A 105 7.166 -1.812 3.521 1.00 0.00 C ATOM 149 CE2 PHE A 105 9.443 -1.763 2.795 1.00 0.00 C ATOM 150 CZ PHE A 105 8.504 -1.608 3.796 1.00 0.00 C ATOM 0 H PHE A 105 8.924 -5.165 -0.410 1.00 0.00 H new ATOM 0 HA PHE A 105 6.146 -4.519 0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.022 -2.391 -0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.345 -2.200 -0.394 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.722 -2.333 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.779 -2.243 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.429 -1.689 4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.490 -1.603 3.006 1.00 0.00 H new ATOM 0 HZ PHE A 105 8.815 -1.328 4.791 1.00 0.00 H new ATOM 160 N GLU A 106 5.780 -5.258 -2.110 1.00 0.00 N ATOM 161 CA GLU A 106 5.491 -5.645 -3.486 1.00 0.00 C ATOM 162 C GLU A 106 4.123 -5.125 -3.921 1.00 0.00 C ATOM 163 O GLU A 106 3.185 -5.073 -3.125 1.00 0.00 O ATOM 164 CB GLU A 106 5.541 -7.167 -3.633 1.00 0.00 C ATOM 165 CG GLU A 106 5.827 -7.632 -5.051 1.00 0.00 C ATOM 166 CD GLU A 106 5.909 -9.142 -5.164 1.00 0.00 C ATOM 167 OE1 GLU A 106 4.853 -9.802 -5.072 1.00 0.00 O ATOM 168 OE2 GLU A 106 7.030 -9.663 -5.344 1.00 0.00 O ATOM 0 H GLU A 106 5.083 -5.564 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 106 6.251 -5.201 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.309 -7.563 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.589 -7.587 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.045 -7.264 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.766 -7.194 -5.391 1.00 0.00 H new ATOM 175 N CYS A 107 4.018 -4.742 -5.189 1.00 0.00 N ATOM 176 CA CYS A 107 2.768 -4.226 -5.731 1.00 0.00 C ATOM 177 C CYS A 107 1.927 -5.352 -6.326 1.00 0.00 C ATOM 178 O CYS A 107 1.802 -5.471 -7.545 1.00 0.00 O ATOM 179 CB CYS A 107 3.049 -3.166 -6.798 1.00 0.00 C ATOM 180 SG CYS A 107 1.578 -2.227 -7.320 1.00 0.00 S ATOM 0 H CYS A 107 4.785 -4.780 -5.861 1.00 0.00 H new ATOM 0 HA CYS A 107 2.208 -3.770 -4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 107 3.794 -2.469 -6.415 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.485 -3.651 -7.671 1.00 0.00 H new ATOM 185 N THR A 108 1.351 -6.176 -5.456 1.00 0.00 N ATOM 186 CA THR A 108 0.523 -7.292 -5.894 1.00 0.00 C ATOM 187 C THR A 108 -0.249 -6.941 -7.161 1.00 0.00 C ATOM 188 O THR A 108 -0.427 -7.779 -8.045 1.00 0.00 O ATOM 189 CB THR A 108 -0.474 -7.716 -4.799 1.00 0.00 C ATOM 190 OG1 THR A 108 -1.242 -8.840 -5.244 1.00 0.00 O ATOM 191 CG2 THR A 108 -1.406 -6.568 -4.443 1.00 0.00 C ATOM 0 H THR A 108 1.443 -6.091 -4.444 1.00 0.00 H new ATOM 0 HA THR A 108 1.197 -8.123 -6.102 1.00 0.00 H new ATOM 0 HB THR A 108 0.093 -7.993 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 108 -1.872 -9.104 -4.542 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.101 -6.891 -3.668 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.821 -5.724 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.965 -6.265 -5.328 1.00 0.00 H new ATOM 199 N HIS A 109 -0.706 -5.695 -7.243 1.00 0.00 N ATOM 200 CA HIS A 109 -1.459 -5.232 -8.403 1.00 0.00 C ATOM 201 C HIS A 109 -0.820 -5.725 -9.698 1.00 0.00 C ATOM 202 O HIS A 109 -1.453 -6.426 -10.488 1.00 0.00 O ATOM 203 CB HIS A 109 -1.539 -3.705 -8.409 1.00 0.00 C ATOM 204 CG HIS A 109 -2.289 -3.139 -7.243 1.00 0.00 C ATOM 205 ND1 HIS A 109 -3.660 -3.214 -7.123 1.00 0.00 N ATOM 206 CD2 HIS A 109 -1.851 -2.489 -6.140 1.00 0.00 C ATOM 207 CE1 HIS A 109 -4.034 -2.632 -5.997 1.00 0.00 C ATOM 208 NE2 HIS A 109 -2.955 -2.184 -5.382 1.00 0.00 N ATOM 0 H HIS A 109 -0.568 -4.989 -6.520 1.00 0.00 H new ATOM 0 HA HIS A 109 -2.467 -5.641 -8.338 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -0.528 -3.297 -8.413 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -2.018 -3.378 -9.332 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.825 -2.254 -5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -5.049 -2.539 -5.641 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -2.943 -1.691 -4.489 1.00 0.00 H new ATOM 216 N CYS A 110 0.439 -5.354 -9.909 1.00 0.00 N ATOM 217 CA CYS A 110 1.164 -5.756 -11.108 1.00 0.00 C ATOM 218 C CYS A 110 2.314 -6.696 -10.758 1.00 0.00 C ATOM 219 O CYS A 110 2.532 -7.704 -11.429 1.00 0.00 O ATOM 220 CB CYS A 110 1.702 -4.526 -11.842 1.00 0.00 C ATOM 221 SG CYS A 110 2.826 -3.497 -10.844 1.00 0.00 S ATOM 0 H CYS A 110 0.978 -4.775 -9.265 1.00 0.00 H new ATOM 0 HA CYS A 110 0.470 -6.285 -11.761 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.227 -4.853 -12.740 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.861 -3.915 -12.169 1.00 0.00 H new ATOM 226 N GLY A 111 3.047 -6.358 -9.702 1.00 0.00 N ATOM 227 CA GLY A 111 4.166 -7.181 -9.280 1.00 0.00 C ATOM 228 C GLY A 111 5.424 -6.371 -9.041 1.00 0.00 C ATOM 229 O GLY A 111 6.495 -6.929 -8.802 1.00 0.00 O ATOM 0 H GLY A 111 2.886 -5.529 -9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.899 -7.710 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 111 4.363 -7.937 -10.040 1.00 0.00 H new ATOM 233 N LYS A 112 5.297 -5.050 -9.106 1.00 0.00 N ATOM 234 CA LYS A 112 6.432 -4.160 -8.894 1.00 0.00 C ATOM 235 C LYS A 112 6.907 -4.218 -7.446 1.00 0.00 C ATOM 236 O LYS A 112 6.176 -3.848 -6.528 1.00 0.00 O ATOM 237 CB LYS A 112 6.055 -2.723 -9.261 1.00 0.00 C ATOM 238 CG LYS A 112 7.252 -1.840 -9.572 1.00 0.00 C ATOM 239 CD LYS A 112 7.677 -1.971 -11.025 1.00 0.00 C ATOM 240 CE LYS A 112 8.716 -0.924 -11.398 1.00 0.00 C ATOM 241 NZ LYS A 112 9.568 -1.369 -12.536 1.00 0.00 N ATOM 0 H LYS A 112 4.418 -4.572 -9.304 1.00 0.00 H new ATOM 0 HA LYS A 112 7.246 -4.492 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.392 -2.740 -10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.493 -2.282 -8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.005 -0.801 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.084 -2.111 -8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.084 -2.967 -11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.805 -1.867 -11.671 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.215 0.007 -11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.346 -0.713 -10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.263 -0.628 -12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.066 -2.244 -12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.970 -1.546 -13.369 1.00 0.00 H new ATOM 255 N SER A 113 8.137 -4.684 -7.249 1.00 0.00 N ATOM 256 CA SER A 113 8.708 -4.793 -5.912 1.00 0.00 C ATOM 257 C SER A 113 9.500 -3.539 -5.556 1.00 0.00 C ATOM 258 O SER A 113 9.965 -2.813 -6.436 1.00 0.00 O ATOM 259 CB SER A 113 9.611 -6.024 -5.820 1.00 0.00 C ATOM 260 OG SER A 113 10.869 -5.780 -6.425 1.00 0.00 O ATOM 0 H SER A 113 8.757 -4.992 -7.999 1.00 0.00 H new ATOM 0 HA SER A 113 7.889 -4.898 -5.201 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.754 -6.297 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.128 -6.871 -6.307 1.00 0.00 H new ATOM 0 HG SER A 113 11.428 -6.581 -6.351 1.00 0.00 H new ATOM 266 N PHE A 114 9.650 -3.289 -4.260 1.00 0.00 N ATOM 267 CA PHE A 114 10.385 -2.122 -3.786 1.00 0.00 C ATOM 268 C PHE A 114 11.133 -2.439 -2.494 1.00 0.00 C ATOM 269 O PHE A 114 10.866 -3.447 -1.840 1.00 0.00 O ATOM 270 CB PHE A 114 9.430 -0.948 -3.561 1.00 0.00 C ATOM 271 CG PHE A 114 8.754 -0.476 -4.816 1.00 0.00 C ATOM 272 CD1 PHE A 114 7.616 -1.112 -5.287 1.00 0.00 C ATOM 273 CD2 PHE A 114 9.256 0.602 -5.526 1.00 0.00 C ATOM 274 CE1 PHE A 114 6.992 -0.680 -6.442 1.00 0.00 C ATOM 275 CE2 PHE A 114 8.636 1.039 -6.682 1.00 0.00 C ATOM 276 CZ PHE A 114 7.502 0.397 -7.140 1.00 0.00 C ATOM 0 H PHE A 114 9.272 -3.879 -3.519 1.00 0.00 H new ATOM 0 HA PHE A 114 11.113 -1.847 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.670 -1.242 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.984 -0.118 -3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 114 7.212 -1.955 -4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 114 10.143 1.107 -5.172 1.00 0.00 H new ATOM 0 HE1 PHE A 114 6.106 -1.184 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 114 9.038 1.881 -7.226 1.00 0.00 H new ATOM 0 HZ PHE A 114 7.015 0.737 -8.042 1.00 0.00 H new ATOM 286 N ARG A 115 12.072 -1.570 -2.133 1.00 0.00 N ATOM 287 CA ARG A 115 12.861 -1.757 -0.921 1.00 0.00 C ATOM 288 C ARG A 115 12.166 -1.127 0.282 1.00 0.00 C ATOM 289 O ARG A 115 12.114 -1.718 1.361 1.00 0.00 O ATOM 290 CB ARG A 115 14.254 -1.148 -1.095 1.00 0.00 C ATOM 291 CG ARG A 115 15.329 -1.844 -0.276 1.00 0.00 C ATOM 292 CD ARG A 115 15.860 -3.078 -0.988 1.00 0.00 C ATOM 293 NE ARG A 115 16.893 -3.757 -0.210 1.00 0.00 N ATOM 294 CZ ARG A 115 16.631 -4.614 0.771 1.00 0.00 C ATOM 295 NH1 ARG A 115 15.375 -4.895 1.092 1.00 0.00 N ATOM 296 NH2 ARG A 115 17.625 -5.191 1.433 1.00 0.00 N ATOM 0 H ARG A 115 12.305 -0.730 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 115 12.959 -2.828 -0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 115 14.529 -1.187 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 115 14.219 -0.096 -0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 115 16.149 -1.151 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 115 14.921 -2.129 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 115 15.038 -3.768 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 115 16.267 -2.790 -1.957 1.00 0.00 H new ATOM 0 HE ARG A 115 17.869 -3.563 -0.432 1.00 0.00 H new ATOM 0 HH11 ARG A 115 14.608 -4.453 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 115 15.176 -5.553 1.845 1.00 0.00 H new ATOM 0 HH21 ARG A 115 18.592 -4.977 1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 115 17.422 -5.849 2.186 1.00 0.00 H new ATOM 310 N ALA A 116 11.633 0.075 0.089 1.00 0.00 N ATOM 311 CA ALA A 116 10.940 0.784 1.158 1.00 0.00 C ATOM 312 C ALA A 116 9.454 0.928 0.847 1.00 0.00 C ATOM 313 O ALA A 116 9.049 0.926 -0.315 1.00 0.00 O ATOM 314 CB ALA A 116 11.569 2.151 1.379 1.00 0.00 C ATOM 0 H ALA A 116 11.668 0.578 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 116 11.039 0.199 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.041 2.669 2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.617 2.029 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.500 2.736 0.462 1.00 0.00 H new ATOM 320 N LYS A 117 8.645 1.051 1.894 1.00 0.00 N ATOM 321 CA LYS A 117 7.203 1.197 1.734 1.00 0.00 C ATOM 322 C LYS A 117 6.871 2.399 0.856 1.00 0.00 C ATOM 323 O LYS A 117 6.165 2.274 -0.144 1.00 0.00 O ATOM 324 CB LYS A 117 6.530 1.349 3.100 1.00 0.00 C ATOM 325 CG LYS A 117 5.015 1.432 3.026 1.00 0.00 C ATOM 326 CD LYS A 117 4.392 0.064 2.803 1.00 0.00 C ATOM 327 CE LYS A 117 4.242 -0.244 1.321 1.00 0.00 C ATOM 328 NZ LYS A 117 3.077 -1.132 1.054 1.00 0.00 N ATOM 0 H LYS A 117 8.964 1.052 2.863 1.00 0.00 H new ATOM 0 HA LYS A 117 6.825 0.298 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.809 0.504 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.911 2.247 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.628 1.863 3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.725 2.101 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 117 5.011 -0.700 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.415 0.025 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.123 0.687 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.152 -0.719 0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.832 -1.089 0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.320 -2.110 1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.264 -0.818 1.621 1.00 0.00 H new ATOM 342 N GLY A 118 7.388 3.564 1.235 1.00 0.00 N ATOM 343 CA GLY A 118 7.136 4.771 0.470 1.00 0.00 C ATOM 344 C GLY A 118 7.341 4.568 -1.018 1.00 0.00 C ATOM 345 O GLY A 118 6.415 4.743 -1.808 1.00 0.00 O ATOM 0 H GLY A 118 7.977 3.693 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 118 6.114 5.105 0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 118 7.797 5.564 0.820 1.00 0.00 H new ATOM 349 N ASN A 119 8.559 4.199 -1.400 1.00 0.00 N ATOM 350 CA ASN A 119 8.884 3.975 -2.804 1.00 0.00 C ATOM 351 C ASN A 119 7.739 3.266 -3.521 1.00 0.00 C ATOM 352 O ASN A 119 7.309 3.687 -4.596 1.00 0.00 O ATOM 353 CB ASN A 119 10.166 3.148 -2.927 1.00 0.00 C ATOM 354 CG ASN A 119 11.416 4.002 -2.826 1.00 0.00 C ATOM 355 OD1 ASN A 119 11.807 4.665 -3.786 1.00 0.00 O ATOM 356 ND2 ASN A 119 12.048 3.988 -1.658 1.00 0.00 N ATOM 0 H ASN A 119 9.337 4.049 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 119 9.039 4.946 -3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 119 10.183 2.390 -2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 119 10.165 2.621 -3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.894 4.542 -1.529 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.687 3.423 -0.889 1.00 0.00 H new ATOM 363 N LEU A 120 7.248 2.188 -2.919 1.00 0.00 N ATOM 364 CA LEU A 120 6.151 1.420 -3.498 1.00 0.00 C ATOM 365 C LEU A 120 4.856 2.226 -3.485 1.00 0.00 C ATOM 366 O LEU A 120 4.171 2.336 -4.502 1.00 0.00 O ATOM 367 CB LEU A 120 5.958 0.111 -2.731 1.00 0.00 C ATOM 368 CG LEU A 120 4.621 -0.599 -2.941 1.00 0.00 C ATOM 369 CD1 LEU A 120 4.415 -0.926 -4.412 1.00 0.00 C ATOM 370 CD2 LEU A 120 4.549 -1.863 -2.097 1.00 0.00 C ATOM 0 H LEU A 120 7.592 1.826 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 120 6.406 1.193 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.758 -0.573 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.074 0.316 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 120 3.822 0.072 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.458 -1.431 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.421 -0.004 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.219 -1.577 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.590 -2.355 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.356 -2.538 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.649 -1.603 -1.043 1.00 0.00 H new ATOM 382 N VAL A 121 4.528 2.790 -2.327 1.00 0.00 N ATOM 383 CA VAL A 121 3.316 3.589 -2.183 1.00 0.00 C ATOM 384 C VAL A 121 3.164 4.571 -3.339 1.00 0.00 C ATOM 385 O VAL A 121 2.087 4.700 -3.921 1.00 0.00 O ATOM 386 CB VAL A 121 3.315 4.371 -0.856 1.00 0.00 C ATOM 387 CG1 VAL A 121 2.080 5.252 -0.756 1.00 0.00 C ATOM 388 CG2 VAL A 121 3.395 3.415 0.325 1.00 0.00 C ATOM 0 H VAL A 121 5.084 2.709 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 121 2.476 2.894 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 121 4.194 5.015 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.097 5.797 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 121 2.071 5.961 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.185 4.631 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.393 3.984 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.536 2.744 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.313 2.831 0.259 1.00 0.00 H new ATOM 398 N THR A 122 4.251 5.262 -3.668 1.00 0.00 N ATOM 399 CA THR A 122 4.239 6.233 -4.754 1.00 0.00 C ATOM 400 C THR A 122 3.955 5.559 -6.092 1.00 0.00 C ATOM 401 O THR A 122 3.320 6.144 -6.970 1.00 0.00 O ATOM 402 CB THR A 122 5.579 6.988 -4.848 1.00 0.00 C ATOM 403 OG1 THR A 122 5.658 7.975 -3.814 1.00 0.00 O ATOM 404 CG2 THR A 122 5.730 7.656 -6.206 1.00 0.00 C ATOM 0 H THR A 122 5.151 5.167 -3.197 1.00 0.00 H new ATOM 0 HA THR A 122 3.444 6.944 -4.532 1.00 0.00 H new ATOM 0 HB THR A 122 6.387 6.267 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 122 6.513 8.449 -3.879 1.00 0.00 H new ATOM 0 HG21 THR A 122 6.683 8.183 -6.248 1.00 0.00 H new ATOM 0 HG22 THR A 122 5.698 6.899 -6.989 1.00 0.00 H new ATOM 0 HG23 THR A 122 4.916 8.366 -6.355 1.00 0.00 H new ATOM 412 N HIS A 123 4.426 4.325 -6.240 1.00 0.00 N ATOM 413 CA HIS A 123 4.221 3.570 -7.471 1.00 0.00 C ATOM 414 C HIS A 123 2.747 3.219 -7.653 1.00 0.00 C ATOM 415 O HIS A 123 2.185 3.403 -8.732 1.00 0.00 O ATOM 416 CB HIS A 123 5.063 2.295 -7.459 1.00 0.00 C ATOM 417 CG HIS A 123 4.561 1.236 -8.391 1.00 0.00 C ATOM 418 ND1 HIS A 123 4.925 1.168 -9.719 1.00 0.00 N ATOM 419 CD2 HIS A 123 3.718 0.198 -8.180 1.00 0.00 C ATOM 420 CE1 HIS A 123 4.327 0.135 -10.285 1.00 0.00 C ATOM 421 NE2 HIS A 123 3.589 -0.471 -9.372 1.00 0.00 N ATOM 0 H HIS A 123 4.952 3.826 -5.523 1.00 0.00 H new ATOM 0 HA HIS A 123 4.534 4.194 -8.308 1.00 0.00 H new ATOM 0 HB2 HIS A 123 6.090 2.545 -7.726 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.086 1.894 -6.446 1.00 0.00 H new ATOM 0 HD1 HIS A 123 5.557 1.814 -10.191 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.236 -0.057 -7.247 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.425 -0.163 -11.318 1.00 0.00 H new ATOM 429 N GLN A 124 2.129 2.712 -6.591 1.00 0.00 N ATOM 430 CA GLN A 124 0.722 2.334 -6.635 1.00 0.00 C ATOM 431 C GLN A 124 -0.132 3.474 -7.181 1.00 0.00 C ATOM 432 O GLN A 124 -1.150 3.243 -7.832 1.00 0.00 O ATOM 433 CB GLN A 124 0.234 1.939 -5.240 1.00 0.00 C ATOM 434 CG GLN A 124 1.275 1.195 -4.420 1.00 0.00 C ATOM 435 CD GLN A 124 0.656 0.244 -3.415 1.00 0.00 C ATOM 436 OE1 GLN A 124 -0.371 -0.379 -3.684 1.00 0.00 O ATOM 437 NE2 GLN A 124 1.279 0.127 -2.248 1.00 0.00 N ATOM 0 H GLN A 124 2.581 2.554 -5.690 1.00 0.00 H new ATOM 0 HA GLN A 124 0.623 1.478 -7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.067 2.838 -4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -0.654 1.314 -5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 124 1.927 0.635 -5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 124 1.901 1.916 -3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 124 2.128 0.663 -2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 124 0.908 -0.498 -1.533 1.00 0.00 H new ATOM 446 N ARG A 125 0.291 4.705 -6.910 1.00 0.00 N ATOM 447 CA ARG A 125 -0.435 5.881 -7.373 1.00 0.00 C ATOM 448 C ARG A 125 -0.680 5.813 -8.877 1.00 0.00 C ATOM 449 O ARG A 125 -1.614 6.427 -9.393 1.00 0.00 O ATOM 450 CB ARG A 125 0.340 7.154 -7.029 1.00 0.00 C ATOM 451 CG ARG A 125 0.566 7.346 -5.538 1.00 0.00 C ATOM 452 CD ARG A 125 1.294 8.650 -5.248 1.00 0.00 C ATOM 453 NE ARG A 125 0.928 9.203 -3.947 1.00 0.00 N ATOM 454 CZ ARG A 125 1.697 10.043 -3.264 1.00 0.00 C ATOM 455 NH1 ARG A 125 2.867 10.426 -3.755 1.00 0.00 N ATOM 456 NH2 ARG A 125 1.295 10.504 -2.086 1.00 0.00 N ATOM 0 H ARG A 125 1.132 4.913 -6.372 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.400 5.903 -6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.306 7.129 -7.534 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.202 8.016 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.393 7.340 -5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 125 1.145 6.510 -5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.370 8.479 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 125 1.063 9.375 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 125 0.033 8.929 -3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.180 10.075 -4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.455 11.071 -3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.395 10.213 -1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 125 1.886 11.149 -1.562 1.00 0.00 H new ATOM 470 N ILE A 126 0.165 5.061 -9.575 1.00 0.00 N ATOM 471 CA ILE A 126 0.041 4.912 -11.020 1.00 0.00 C ATOM 472 C ILE A 126 -1.182 4.076 -11.382 1.00 0.00 C ATOM 473 O ILE A 126 -1.838 4.323 -12.395 1.00 0.00 O ATOM 474 CB ILE A 126 1.295 4.257 -11.628 1.00 0.00 C ATOM 475 CG1 ILE A 126 1.247 2.739 -11.439 1.00 0.00 C ATOM 476 CG2 ILE A 126 2.553 4.836 -10.999 1.00 0.00 C ATOM 477 CD1 ILE A 126 2.528 2.040 -11.837 1.00 0.00 C ATOM 0 H ILE A 126 0.943 4.546 -9.163 1.00 0.00 H new ATOM 0 HA ILE A 126 -0.071 5.915 -11.433 1.00 0.00 H new ATOM 0 HB ILE A 126 1.316 4.470 -12.697 1.00 0.00 H new ATOM 0 HG12 ILE A 126 1.032 2.518 -10.394 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.424 2.334 -12.027 1.00 0.00 H new ATOM 0 HG21 ILE A 126 3.431 4.363 -11.439 1.00 0.00 H new ATOM 0 HG22 ILE A 126 2.590 5.910 -11.181 1.00 0.00 H new ATOM 0 HG23 ILE A 126 2.541 4.651 -9.925 1.00 0.00 H new ATOM 0 HD11 ILE A 126 2.422 0.967 -11.677 1.00 0.00 H new ATOM 0 HD12 ILE A 126 2.735 2.231 -12.890 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.352 2.418 -11.231 1.00 0.00 H new ATOM 489 N HIS A 127 -1.486 3.088 -10.547 1.00 0.00 N ATOM 490 CA HIS A 127 -2.632 2.216 -10.778 1.00 0.00 C ATOM 491 C HIS A 127 -3.940 2.963 -10.534 1.00 0.00 C ATOM 492 O HIS A 127 -4.818 2.999 -11.397 1.00 0.00 O ATOM 493 CB HIS A 127 -2.557 0.987 -9.872 1.00 0.00 C ATOM 494 CG HIS A 127 -1.509 0.001 -10.287 1.00 0.00 C ATOM 495 ND1 HIS A 127 -1.673 -0.873 -11.340 1.00 0.00 N ATOM 496 CD2 HIS A 127 -0.276 -0.245 -9.784 1.00 0.00 C ATOM 497 CE1 HIS A 127 -0.587 -1.616 -11.466 1.00 0.00 C ATOM 498 NE2 HIS A 127 0.276 -1.254 -10.534 1.00 0.00 N ATOM 0 H HIS A 127 -0.955 2.871 -9.704 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.606 1.892 -11.818 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -2.356 1.310 -8.851 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -3.528 0.492 -9.864 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -2.503 -0.937 -11.930 1.00 0.00 H new ATOM 0 HD2 HIS A 127 0.187 0.259 -8.948 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -0.432 -2.388 -12.205 1.00 0.00 H new ATOM 506 N THR A 128 -4.064 3.559 -9.352 1.00 0.00 N ATOM 507 CA THR A 128 -5.265 4.303 -8.993 1.00 0.00 C ATOM 508 C THR A 128 -5.849 5.022 -10.204 1.00 0.00 C ATOM 509 O THR A 128 -5.114 5.519 -11.057 1.00 0.00 O ATOM 510 CB THR A 128 -4.977 5.336 -7.888 1.00 0.00 C ATOM 511 OG1 THR A 128 -4.032 6.304 -8.356 1.00 0.00 O ATOM 512 CG2 THR A 128 -4.436 4.656 -6.639 1.00 0.00 C ATOM 0 H THR A 128 -3.347 3.541 -8.627 1.00 0.00 H new ATOM 0 HA THR A 128 -5.987 3.576 -8.622 1.00 0.00 H new ATOM 0 HB THR A 128 -5.913 5.835 -7.635 1.00 0.00 H new ATOM 0 HG1 THR A 128 -3.217 5.848 -8.653 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.240 5.406 -5.872 1.00 0.00 H new ATOM 0 HG22 THR A 128 -5.170 3.940 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 128 -3.510 4.134 -6.881 1.00 0.00 H new ATOM 520 N GLY A 129 -7.176 5.073 -10.274 1.00 0.00 N ATOM 521 CA GLY A 129 -7.836 5.734 -11.385 1.00 0.00 C ATOM 522 C GLY A 129 -8.364 7.105 -11.012 1.00 0.00 C ATOM 523 O GLY A 129 -9.525 7.246 -10.629 1.00 0.00 O ATOM 0 H GLY A 129 -7.806 4.668 -9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.135 5.831 -12.214 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.661 5.113 -11.735 1.00 0.00 H new ATOM 527 N GLU A 130 -7.510 8.117 -11.124 1.00 0.00 N ATOM 528 CA GLU A 130 -7.898 9.483 -10.794 1.00 0.00 C ATOM 529 C GLU A 130 -7.465 10.452 -11.891 1.00 0.00 C ATOM 530 O GLU A 130 -6.687 10.098 -12.777 1.00 0.00 O ATOM 531 CB GLU A 130 -7.283 9.902 -9.456 1.00 0.00 C ATOM 532 CG GLU A 130 -5.775 10.082 -9.509 1.00 0.00 C ATOM 533 CD GLU A 130 -5.206 10.614 -8.208 1.00 0.00 C ATOM 534 OE1 GLU A 130 -5.769 11.590 -7.670 1.00 0.00 O ATOM 535 OE2 GLU A 130 -4.197 10.055 -7.729 1.00 0.00 O ATOM 0 H GLU A 130 -6.546 8.017 -11.441 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.984 9.516 -10.713 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.741 10.837 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.525 9.151 -8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -5.307 9.126 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -5.523 10.767 -10.319 1.00 0.00 H new ATOM 542 N LYS A 131 -7.974 11.677 -11.824 1.00 0.00 N ATOM 543 CA LYS A 131 -7.641 12.699 -12.809 1.00 0.00 C ATOM 544 C LYS A 131 -7.436 14.054 -12.140 1.00 0.00 C ATOM 545 O LYS A 131 -8.092 14.374 -11.149 1.00 0.00 O ATOM 546 CB LYS A 131 -8.748 12.802 -13.862 1.00 0.00 C ATOM 547 CG LYS A 131 -8.464 13.827 -14.945 1.00 0.00 C ATOM 548 CD LYS A 131 -9.273 13.551 -16.201 1.00 0.00 C ATOM 549 CE LYS A 131 -8.793 14.396 -17.371 1.00 0.00 C ATOM 550 NZ LYS A 131 -7.530 13.868 -17.956 1.00 0.00 N ATOM 0 H LYS A 131 -8.619 11.987 -11.097 1.00 0.00 H new ATOM 0 HA LYS A 131 -6.710 12.409 -13.295 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -8.889 11.826 -14.326 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -9.685 13.058 -13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -8.697 14.825 -14.573 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -7.401 13.817 -15.186 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -9.197 12.495 -16.459 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -10.326 13.758 -16.009 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -9.565 14.424 -18.140 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -8.638 15.422 -17.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -7.282 14.420 -18.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -6.765 13.944 -17.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -7.660 12.870 -18.220 1.00 0.00 H new ATOM 564 N SER A 132 -6.521 14.848 -12.688 1.00 0.00 N ATOM 565 CA SER A 132 -6.228 16.168 -12.142 1.00 0.00 C ATOM 566 C SER A 132 -7.120 17.229 -12.778 1.00 0.00 C ATOM 567 O SER A 132 -7.236 17.308 -14.000 1.00 0.00 O ATOM 568 CB SER A 132 -4.756 16.521 -12.368 1.00 0.00 C ATOM 569 OG SER A 132 -3.904 15.531 -11.817 1.00 0.00 O ATOM 0 H SER A 132 -5.970 14.600 -13.510 1.00 0.00 H new ATOM 0 HA SER A 132 -6.429 16.144 -11.071 1.00 0.00 H new ATOM 0 HB2 SER A 132 -4.562 16.619 -13.436 1.00 0.00 H new ATOM 0 HB3 SER A 132 -4.537 17.488 -11.914 1.00 0.00 H new ATOM 0 HG SER A 132 -2.969 15.779 -11.976 1.00 0.00 H new ATOM 575 N GLY A 133 -7.750 18.045 -11.937 1.00 0.00 N ATOM 576 CA GLY A 133 -8.625 19.091 -12.434 1.00 0.00 C ATOM 577 C GLY A 133 -9.457 19.722 -11.335 1.00 0.00 C ATOM 578 O GLY A 133 -9.219 19.507 -10.146 1.00 0.00 O ATOM 0 H GLY A 133 -7.670 18.000 -10.921 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -8.026 19.861 -12.920 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.287 18.676 -13.194 1.00 0.00 H new ATOM 582 N PRO A 134 -10.458 20.522 -11.730 1.00 0.00 N ATOM 583 CA PRO A 134 -11.347 21.203 -10.785 1.00 0.00 C ATOM 584 C PRO A 134 -12.276 20.235 -10.062 1.00 0.00 C ATOM 585 O PRO A 134 -13.019 19.484 -10.694 1.00 0.00 O ATOM 586 CB PRO A 134 -12.152 22.152 -11.676 1.00 0.00 C ATOM 587 CG PRO A 134 -12.128 21.518 -13.024 1.00 0.00 C ATOM 588 CD PRO A 134 -10.799 20.823 -13.131 1.00 0.00 C ATOM 0 HA PRO A 134 -10.791 21.707 -9.994 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -13.173 22.267 -11.311 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -11.707 23.147 -11.698 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -12.949 20.810 -13.137 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -12.242 22.266 -13.809 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -10.867 19.916 -13.732 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -10.049 21.460 -13.599 1.00 0.00 H new ATOM 596 N SER A 135 -12.230 20.257 -8.734 1.00 0.00 N ATOM 597 CA SER A 135 -13.066 19.378 -7.925 1.00 0.00 C ATOM 598 C SER A 135 -14.118 20.178 -7.163 1.00 0.00 C ATOM 599 O SER A 135 -13.984 21.388 -6.984 1.00 0.00 O ATOM 600 CB SER A 135 -12.204 18.582 -6.942 1.00 0.00 C ATOM 601 OG SER A 135 -11.581 19.439 -6.001 1.00 0.00 O ATOM 0 H SER A 135 -11.622 20.874 -8.195 1.00 0.00 H new ATOM 0 HA SER A 135 -13.576 18.685 -8.595 1.00 0.00 H new ATOM 0 HB2 SER A 135 -12.822 17.852 -6.420 1.00 0.00 H new ATOM 0 HB3 SER A 135 -11.444 18.024 -7.489 1.00 0.00 H new ATOM 0 HG SER A 135 -11.038 18.907 -5.383 1.00 0.00 H new ATOM 607 N SER A 136 -15.166 19.492 -6.718 1.00 0.00 N ATOM 608 CA SER A 136 -16.245 20.138 -5.979 1.00 0.00 C ATOM 609 C SER A 136 -16.431 19.489 -4.611 1.00 0.00 C ATOM 610 O SER A 136 -17.556 19.267 -4.165 1.00 0.00 O ATOM 611 CB SER A 136 -17.550 20.066 -6.773 1.00 0.00 C ATOM 612 OG SER A 136 -17.983 18.724 -6.921 1.00 0.00 O ATOM 0 H SER A 136 -15.291 18.489 -6.856 1.00 0.00 H new ATOM 0 HA SER A 136 -15.976 21.184 -5.832 1.00 0.00 H new ATOM 0 HB2 SER A 136 -18.321 20.646 -6.266 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.407 20.516 -7.755 1.00 0.00 H new ATOM 0 HG SER A 136 -18.820 18.705 -7.430 1.00 0.00 H new ATOM 618 N GLY A 137 -15.318 19.186 -3.950 1.00 0.00 N ATOM 619 CA GLY A 137 -15.379 18.565 -2.640 1.00 0.00 C ATOM 620 C GLY A 137 -14.052 17.966 -2.220 1.00 0.00 C ATOM 621 O GLY A 137 -13.983 16.797 -1.842 1.00 0.00 O ATOM 0 H GLY A 137 -14.375 19.360 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -15.688 19.307 -1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -16.140 17.785 -2.646 1.00 0.00 H new TER 625 GLY A 137 HETATM 626 ZN ZN A 201 2.036 -1.855 -9.616 1.00 0.00 ZN