USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 299 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 31 HIS HE2 : A 31 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.074 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.171) USER MOD Single : A 41 SER OG : rot 46:sc= 0.955 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -72:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.318 6.741 -3.521 1.00 0.00 N ATOM 2 CA GLY A 1 -25.245 5.861 -3.946 1.00 0.00 C ATOM 3 C GLY A 1 -25.421 4.444 -3.437 1.00 0.00 C ATOM 4 O GLY A 1 -26.332 3.733 -3.863 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.151 7.697 -3.895 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.225 6.382 -3.881 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.348 6.776 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.199 5.849 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.293 6.256 -3.591 1.00 0.00 H new ATOM 8 N SER A 2 -24.547 4.030 -2.526 1.00 0.00 N ATOM 9 CA SER A 2 -24.607 2.686 -1.963 1.00 0.00 C ATOM 10 C SER A 2 -24.464 1.632 -3.057 1.00 0.00 C ATOM 11 O SER A 2 -25.184 0.634 -3.070 1.00 0.00 O ATOM 12 CB SER A 2 -25.925 2.483 -1.212 1.00 0.00 C ATOM 13 OG SER A 2 -25.886 3.101 0.062 1.00 0.00 O ATOM 0 H SER A 2 -23.788 4.606 -2.162 1.00 0.00 H new ATOM 0 HA SER A 2 -23.778 2.574 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.747 2.897 -1.796 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.121 1.417 -1.097 1.00 0.00 H new ATOM 0 HG SER A 2 -26.740 2.958 0.521 1.00 0.00 H new ATOM 19 N SER A 3 -23.529 1.863 -3.973 1.00 0.00 N ATOM 20 CA SER A 3 -23.293 0.936 -5.074 1.00 0.00 C ATOM 21 C SER A 3 -22.385 -0.209 -4.635 1.00 0.00 C ATOM 22 O SER A 3 -21.312 0.015 -4.075 1.00 0.00 O ATOM 23 CB SER A 3 -22.669 1.671 -6.262 1.00 0.00 C ATOM 24 OG SER A 3 -22.582 0.825 -7.396 1.00 0.00 O ATOM 0 H SER A 3 -22.923 2.683 -3.975 1.00 0.00 H new ATOM 0 HA SER A 3 -24.253 0.519 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.267 2.550 -6.505 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.675 2.026 -5.992 1.00 0.00 H new ATOM 0 HG SER A 3 -22.182 1.318 -8.142 1.00 0.00 H new ATOM 30 N GLY A 4 -22.823 -1.437 -4.894 1.00 0.00 N ATOM 31 CA GLY A 4 -22.039 -2.599 -4.519 1.00 0.00 C ATOM 32 C GLY A 4 -21.137 -3.076 -5.640 1.00 0.00 C ATOM 33 O GLY A 4 -21.244 -4.217 -6.089 1.00 0.00 O ATOM 0 H GLY A 4 -23.707 -1.648 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.432 -2.358 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.710 -3.407 -4.227 1.00 0.00 H new ATOM 37 N SER A 5 -20.247 -2.200 -6.095 1.00 0.00 N ATOM 38 CA SER A 5 -19.327 -2.536 -7.175 1.00 0.00 C ATOM 39 C SER A 5 -18.670 -3.890 -6.927 1.00 0.00 C ATOM 40 O SER A 5 -18.590 -4.728 -7.825 1.00 0.00 O ATOM 41 CB SER A 5 -18.254 -1.454 -7.314 1.00 0.00 C ATOM 42 OG SER A 5 -18.792 -0.273 -7.884 1.00 0.00 O ATOM 0 H SER A 5 -20.144 -1.252 -5.732 1.00 0.00 H new ATOM 0 HA SER A 5 -19.898 -2.593 -8.102 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.831 -1.229 -6.335 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.439 -1.823 -7.936 1.00 0.00 H new ATOM 0 HG SER A 5 -18.087 0.404 -7.961 1.00 0.00 H new ATOM 48 N SER A 6 -18.200 -4.097 -5.701 1.00 0.00 N ATOM 49 CA SER A 6 -17.545 -5.347 -5.334 1.00 0.00 C ATOM 50 C SER A 6 -18.543 -6.322 -4.715 1.00 0.00 C ATOM 51 O SER A 6 -19.589 -5.918 -4.208 1.00 0.00 O ATOM 52 CB SER A 6 -16.401 -5.081 -4.354 1.00 0.00 C ATOM 53 OG SER A 6 -15.333 -4.401 -4.990 1.00 0.00 O ATOM 0 H SER A 6 -18.261 -3.415 -4.945 1.00 0.00 H new ATOM 0 HA SER A 6 -17.139 -5.795 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.766 -4.488 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.042 -6.025 -3.944 1.00 0.00 H new ATOM 0 HG SER A 6 -14.615 -4.241 -4.342 1.00 0.00 H new ATOM 59 N GLY A 7 -18.212 -7.608 -4.762 1.00 0.00 N ATOM 60 CA GLY A 7 -19.088 -8.621 -4.204 1.00 0.00 C ATOM 61 C GLY A 7 -18.933 -8.759 -2.702 1.00 0.00 C ATOM 62 O GLY A 7 -19.844 -8.428 -1.944 1.00 0.00 O ATOM 0 H GLY A 7 -17.352 -7.967 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.123 -8.371 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.877 -9.580 -4.677 1.00 0.00 H new ATOM 66 N ALA A 8 -17.775 -9.249 -2.271 1.00 0.00 N ATOM 67 CA ALA A 8 -17.504 -9.429 -0.850 1.00 0.00 C ATOM 68 C ALA A 8 -17.176 -8.099 -0.181 1.00 0.00 C ATOM 69 O ALA A 8 -17.668 -7.803 0.907 1.00 0.00 O ATOM 70 CB ALA A 8 -16.363 -10.416 -0.652 1.00 0.00 C ATOM 0 H ALA A 8 -17.010 -9.528 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.403 -9.830 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.171 -10.541 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.634 -11.378 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.465 -10.037 -1.140 1.00 0.00 H new ATOM 76 N GLY A 9 -16.342 -7.299 -0.839 1.00 0.00 N ATOM 77 CA GLY A 9 -15.963 -6.010 -0.291 1.00 0.00 C ATOM 78 C GLY A 9 -14.679 -5.478 -0.896 1.00 0.00 C ATOM 79 O GLY A 9 -14.518 -5.470 -2.116 1.00 0.00 O ATOM 0 H GLY A 9 -15.922 -7.521 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -16.767 -5.294 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -15.843 -6.099 0.789 1.00 0.00 H new ATOM 83 N GLU A 10 -13.765 -5.031 -0.042 1.00 0.00 N ATOM 84 CA GLU A 10 -12.490 -4.492 -0.500 1.00 0.00 C ATOM 85 C GLU A 10 -11.346 -4.963 0.394 1.00 0.00 C ATOM 86 O GLU A 10 -11.509 -5.104 1.606 1.00 0.00 O ATOM 87 CB GLU A 10 -12.536 -2.962 -0.525 1.00 0.00 C ATOM 88 CG GLU A 10 -11.282 -2.324 -1.097 1.00 0.00 C ATOM 89 CD GLU A 10 -11.070 -2.662 -2.560 1.00 0.00 C ATOM 90 OE1 GLU A 10 -12.032 -2.522 -3.345 1.00 0.00 O ATOM 91 OE2 GLU A 10 -9.945 -3.067 -2.920 1.00 0.00 O ATOM 0 H GLU A 10 -13.883 -5.031 0.971 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.313 -4.859 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.396 -2.643 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.689 -2.595 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.346 -1.242 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.417 -2.654 -0.523 1.00 0.00 H new ATOM 98 N LYS A 11 -10.190 -5.205 -0.213 1.00 0.00 N ATOM 99 CA LYS A 11 -9.018 -5.659 0.526 1.00 0.00 C ATOM 100 C LYS A 11 -8.712 -4.723 1.691 1.00 0.00 C ATOM 101 O LYS A 11 -9.111 -3.559 1.704 1.00 0.00 O ATOM 102 CB LYS A 11 -7.805 -5.746 -0.404 1.00 0.00 C ATOM 103 CG LYS A 11 -7.658 -7.094 -1.088 1.00 0.00 C ATOM 104 CD LYS A 11 -8.449 -7.151 -2.384 1.00 0.00 C ATOM 105 CE LYS A 11 -8.631 -8.583 -2.864 1.00 0.00 C ATOM 106 NZ LYS A 11 -9.858 -8.738 -3.693 1.00 0.00 N ATOM 0 H LYS A 11 -10.039 -5.094 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.234 -6.650 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.884 -4.969 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.902 -5.539 0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.605 -7.285 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.999 -7.882 -0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.425 -6.689 -2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.935 -6.572 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.760 -8.885 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.687 -9.250 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.946 -9.728 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.692 -8.474 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.794 -8.121 -4.527 1.00 0.00 H new ATOM 120 N PRO A 12 -7.987 -5.242 2.693 1.00 0.00 N ATOM 121 CA PRO A 12 -7.611 -4.468 3.880 1.00 0.00 C ATOM 122 C PRO A 12 -6.583 -3.387 3.565 1.00 0.00 C ATOM 123 O PRO A 12 -6.594 -2.313 4.167 1.00 0.00 O ATOM 124 CB PRO A 12 -7.009 -5.522 4.814 1.00 0.00 C ATOM 125 CG PRO A 12 -6.524 -6.599 3.907 1.00 0.00 C ATOM 126 CD PRO A 12 -7.478 -6.623 2.744 1.00 0.00 C ATOM 0 HA PRO A 12 -8.462 -3.936 4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.194 -5.107 5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.753 -5.900 5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.506 -6.398 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.508 -7.562 4.418 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.975 -6.901 1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.282 -7.342 2.898 1.00 0.00 H new ATOM 134 N TYR A 13 -5.697 -3.676 2.619 1.00 0.00 N ATOM 135 CA TYR A 13 -4.662 -2.728 2.226 1.00 0.00 C ATOM 136 C TYR A 13 -5.199 -1.724 1.211 1.00 0.00 C ATOM 137 O TYR A 13 -6.054 -2.052 0.388 1.00 0.00 O ATOM 138 CB TYR A 13 -3.459 -3.469 1.639 1.00 0.00 C ATOM 139 CG TYR A 13 -3.079 -4.714 2.409 1.00 0.00 C ATOM 140 CD1 TYR A 13 -2.308 -4.633 3.562 1.00 0.00 C ATOM 141 CD2 TYR A 13 -3.493 -5.970 1.985 1.00 0.00 C ATOM 142 CE1 TYR A 13 -1.958 -5.767 4.269 1.00 0.00 C ATOM 143 CE2 TYR A 13 -3.150 -7.110 2.686 1.00 0.00 C ATOM 144 CZ TYR A 13 -2.382 -7.003 3.827 1.00 0.00 C ATOM 145 OH TYR A 13 -2.037 -8.135 4.529 1.00 0.00 O ATOM 0 H TYR A 13 -5.675 -4.560 2.110 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.347 -2.184 3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.680 -3.743 0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.604 -2.793 1.613 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.976 -3.666 3.912 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.094 -6.057 1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.356 -5.686 5.162 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.481 -8.079 2.343 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.416 -8.923 4.086 1.00 0.00 H new ATOM 155 N GLY A 14 -4.690 -0.497 1.275 1.00 0.00 N ATOM 156 CA GLY A 14 -5.129 0.537 0.357 1.00 0.00 C ATOM 157 C GLY A 14 -4.499 1.883 0.655 1.00 0.00 C ATOM 158 O GLY A 14 -4.622 2.402 1.765 1.00 0.00 O ATOM 0 H GLY A 14 -3.981 -0.201 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.882 0.242 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.214 0.628 0.409 1.00 0.00 H new ATOM 162 N CYS A 15 -3.820 2.450 -0.336 1.00 0.00 N ATOM 163 CA CYS A 15 -3.166 3.743 -0.175 1.00 0.00 C ATOM 164 C CYS A 15 -4.182 4.827 0.175 1.00 0.00 C ATOM 165 O CYS A 15 -5.269 4.881 -0.400 1.00 0.00 O ATOM 166 CB CYS A 15 -2.418 4.123 -1.454 1.00 0.00 C ATOM 167 SG CYS A 15 -1.957 5.882 -1.551 1.00 0.00 S ATOM 0 H CYS A 15 -3.708 2.034 -1.260 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.452 3.661 0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.515 3.517 -1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.040 3.874 -2.314 1.00 0.00 H new ATOM 172 N SER A 16 -3.819 5.688 1.120 1.00 0.00 N ATOM 173 CA SER A 16 -4.699 6.768 1.549 1.00 0.00 C ATOM 174 C SER A 16 -4.217 8.110 1.005 1.00 0.00 C ATOM 175 O SER A 16 -5.019 8.996 0.712 1.00 0.00 O ATOM 176 CB SER A 16 -4.771 6.820 3.076 1.00 0.00 C ATOM 177 OG SER A 16 -5.724 7.774 3.510 1.00 0.00 O ATOM 0 H SER A 16 -2.921 5.659 1.603 1.00 0.00 H new ATOM 0 HA SER A 16 -5.695 6.571 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.034 5.836 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.791 7.071 3.481 1.00 0.00 H new ATOM 0 HG SER A 16 -5.752 7.786 4.490 1.00 0.00 H new ATOM 183 N GLU A 17 -2.902 8.250 0.873 1.00 0.00 N ATOM 184 CA GLU A 17 -2.313 9.483 0.366 1.00 0.00 C ATOM 185 C GLU A 17 -3.075 9.988 -0.856 1.00 0.00 C ATOM 186 O GLU A 17 -3.500 11.143 -0.903 1.00 0.00 O ATOM 187 CB GLU A 17 -0.842 9.262 0.007 1.00 0.00 C ATOM 188 CG GLU A 17 0.101 9.405 1.190 1.00 0.00 C ATOM 189 CD GLU A 17 0.357 10.852 1.561 1.00 0.00 C ATOM 190 OE1 GLU A 17 1.272 11.464 0.973 1.00 0.00 O ATOM 191 OE2 GLU A 17 -0.360 11.374 2.442 1.00 0.00 O ATOM 0 H GLU A 17 -2.225 7.525 1.110 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.379 10.236 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.727 8.266 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.554 9.976 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.319 8.882 2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.049 8.921 0.955 1.00 0.00 H new ATOM 198 N CYS A 18 -3.244 9.115 -1.843 1.00 0.00 N ATOM 199 CA CYS A 18 -3.953 9.470 -3.066 1.00 0.00 C ATOM 200 C CYS A 18 -5.262 8.694 -3.180 1.00 0.00 C ATOM 201 O CYS A 18 -6.270 9.221 -3.649 1.00 0.00 O ATOM 202 CB CYS A 18 -3.076 9.193 -4.288 1.00 0.00 C ATOM 203 SG CYS A 18 -3.057 7.448 -4.811 1.00 0.00 S ATOM 0 H CYS A 18 -2.899 8.155 -1.820 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.184 10.535 -3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.425 9.806 -5.119 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.055 9.506 -4.068 1.00 0.00 H new ATOM 208 N GLY A 19 -5.239 7.437 -2.747 1.00 0.00 N ATOM 209 CA GLY A 19 -6.429 6.608 -2.809 1.00 0.00 C ATOM 210 C GLY A 19 -6.315 5.506 -3.843 1.00 0.00 C ATOM 211 O GLY A 19 -7.123 5.426 -4.768 1.00 0.00 O ATOM 0 H GLY A 19 -4.417 6.978 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.611 6.166 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.291 7.233 -3.042 1.00 0.00 H new ATOM 215 N LYS A 20 -5.307 4.654 -3.689 1.00 0.00 N ATOM 216 CA LYS A 20 -5.088 3.551 -4.617 1.00 0.00 C ATOM 217 C LYS A 20 -5.049 2.218 -3.876 1.00 0.00 C ATOM 218 O LYS A 20 -4.169 1.982 -3.049 1.00 0.00 O ATOM 219 CB LYS A 20 -3.782 3.757 -5.388 1.00 0.00 C ATOM 220 CG LYS A 20 -3.696 2.942 -6.666 1.00 0.00 C ATOM 221 CD LYS A 20 -2.784 3.601 -7.687 1.00 0.00 C ATOM 222 CE LYS A 20 -2.113 2.571 -8.582 1.00 0.00 C ATOM 223 NZ LYS A 20 -2.924 2.278 -9.797 1.00 0.00 N ATOM 0 H LYS A 20 -4.628 4.706 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.919 3.531 -5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.677 4.814 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.944 3.495 -4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.325 1.943 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.693 2.823 -7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.362 4.294 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.023 4.188 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.130 2.935 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.955 1.650 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.432 1.572 -10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.853 1.906 -9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.054 3.151 -10.347 1.00 0.00 H new ATOM 237 N ALA A 21 -6.007 1.349 -4.181 1.00 0.00 N ATOM 238 CA ALA A 21 -6.079 0.038 -3.547 1.00 0.00 C ATOM 239 C ALA A 21 -5.387 -1.022 -4.397 1.00 0.00 C ATOM 240 O ALA A 21 -5.226 -0.854 -5.606 1.00 0.00 O ATOM 241 CB ALA A 21 -7.530 -0.348 -3.297 1.00 0.00 C ATOM 0 H ALA A 21 -6.744 1.529 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.559 0.095 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.569 -1.329 -2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.995 0.390 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.066 -0.381 -4.245 1.00 0.00 H new ATOM 247 N PHE A 22 -4.979 -2.113 -3.758 1.00 0.00 N ATOM 248 CA PHE A 22 -4.302 -3.200 -4.456 1.00 0.00 C ATOM 249 C PHE A 22 -4.837 -4.555 -4.001 1.00 0.00 C ATOM 250 O PHE A 22 -5.643 -4.637 -3.074 1.00 0.00 O ATOM 251 CB PHE A 22 -2.793 -3.128 -4.215 1.00 0.00 C ATOM 252 CG PHE A 22 -2.154 -1.892 -4.782 1.00 0.00 C ATOM 253 CD1 PHE A 22 -2.185 -0.697 -4.082 1.00 0.00 C ATOM 254 CD2 PHE A 22 -1.524 -1.926 -6.015 1.00 0.00 C ATOM 255 CE1 PHE A 22 -1.598 0.442 -4.600 1.00 0.00 C ATOM 256 CE2 PHE A 22 -0.934 -0.790 -6.538 1.00 0.00 C ATOM 257 CZ PHE A 22 -0.973 0.395 -5.831 1.00 0.00 C ATOM 0 H PHE A 22 -5.105 -2.268 -2.758 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.498 -3.091 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.602 -3.167 -3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.320 -4.006 -4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.674 -0.655 -3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.493 -2.850 -6.574 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.628 1.367 -4.043 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.443 -0.830 -7.499 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.516 1.284 -6.240 1.00 0.00 H new ATOM 267 N SER A 23 -4.383 -5.616 -4.660 1.00 0.00 N ATOM 268 CA SER A 23 -4.818 -6.967 -4.327 1.00 0.00 C ATOM 269 C SER A 23 -4.069 -7.494 -3.107 1.00 0.00 C ATOM 270 O SER A 23 -4.664 -8.087 -2.208 1.00 0.00 O ATOM 271 CB SER A 23 -4.600 -7.903 -5.517 1.00 0.00 C ATOM 272 OG SER A 23 -3.219 -8.083 -5.779 1.00 0.00 O ATOM 0 H SER A 23 -3.714 -5.566 -5.428 1.00 0.00 H new ATOM 0 HA SER A 23 -5.882 -6.932 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.063 -8.868 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.090 -7.494 -6.400 1.00 0.00 H new ATOM 0 HG SER A 23 -3.107 -8.686 -6.543 1.00 0.00 H new ATOM 278 N SER A 24 -2.758 -7.273 -3.084 1.00 0.00 N ATOM 279 CA SER A 24 -1.925 -7.728 -1.977 1.00 0.00 C ATOM 280 C SER A 24 -1.204 -6.554 -1.321 1.00 0.00 C ATOM 281 O SER A 24 -1.186 -5.445 -1.855 1.00 0.00 O ATOM 282 CB SER A 24 -0.905 -8.757 -2.468 1.00 0.00 C ATOM 283 OG SER A 24 -1.529 -9.998 -2.750 1.00 0.00 O ATOM 0 H SER A 24 -2.250 -6.782 -3.820 1.00 0.00 H new ATOM 0 HA SER A 24 -2.573 -8.194 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.409 -8.384 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.133 -8.898 -1.712 1.00 0.00 H new ATOM 0 HG SER A 24 -0.857 -10.638 -3.064 1.00 0.00 H new ATOM 289 N LYS A 25 -0.612 -6.807 -0.159 1.00 0.00 N ATOM 290 CA LYS A 25 0.112 -5.773 0.571 1.00 0.00 C ATOM 291 C LYS A 25 1.335 -5.307 -0.213 1.00 0.00 C ATOM 292 O LYS A 25 1.482 -4.120 -0.503 1.00 0.00 O ATOM 293 CB LYS A 25 0.543 -6.297 1.943 1.00 0.00 C ATOM 294 CG LYS A 25 1.492 -5.367 2.679 1.00 0.00 C ATOM 295 CD LYS A 25 2.244 -6.095 3.780 1.00 0.00 C ATOM 296 CE LYS A 25 3.364 -6.956 3.215 1.00 0.00 C ATOM 297 NZ LYS A 25 3.795 -8.006 4.179 1.00 0.00 N ATOM 0 H LYS A 25 -0.619 -7.719 0.298 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.557 -4.923 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.344 -6.457 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.023 -7.267 1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.204 -4.939 1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.930 -4.537 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.659 -5.370 4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.551 -6.721 4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.029 -7.427 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.215 -6.324 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.559 -8.572 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.138 -7.556 5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.989 -8.624 4.402 1.00 0.00 H new ATOM 311 N SER A 26 2.208 -6.249 -0.554 1.00 0.00 N ATOM 312 CA SER A 26 3.419 -5.934 -1.304 1.00 0.00 C ATOM 313 C SER A 26 3.137 -4.886 -2.375 1.00 0.00 C ATOM 314 O SER A 26 3.868 -3.904 -2.507 1.00 0.00 O ATOM 315 CB SER A 26 3.988 -7.199 -1.949 1.00 0.00 C ATOM 316 OG SER A 26 4.552 -8.059 -0.974 1.00 0.00 O ATOM 0 H SER A 26 2.100 -7.237 -0.323 1.00 0.00 H new ATOM 0 HA SER A 26 4.153 -5.528 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.198 -7.723 -2.488 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.748 -6.927 -2.682 1.00 0.00 H new ATOM 0 HG SER A 26 4.907 -8.861 -1.411 1.00 0.00 H new ATOM 322 N TYR A 27 2.072 -5.101 -3.139 1.00 0.00 N ATOM 323 CA TYR A 27 1.693 -4.177 -4.202 1.00 0.00 C ATOM 324 C TYR A 27 1.579 -2.752 -3.669 1.00 0.00 C ATOM 325 O TYR A 27 2.004 -1.797 -4.320 1.00 0.00 O ATOM 326 CB TYR A 27 0.367 -4.606 -4.831 1.00 0.00 C ATOM 327 CG TYR A 27 0.514 -5.693 -5.872 1.00 0.00 C ATOM 328 CD1 TYR A 27 1.298 -5.498 -7.003 1.00 0.00 C ATOM 329 CD2 TYR A 27 -0.129 -6.916 -5.724 1.00 0.00 C ATOM 330 CE1 TYR A 27 1.434 -6.489 -7.956 1.00 0.00 C ATOM 331 CE2 TYR A 27 0.003 -7.912 -6.671 1.00 0.00 C ATOM 332 CZ TYR A 27 0.785 -7.694 -7.786 1.00 0.00 C ATOM 333 OH TYR A 27 0.920 -8.683 -8.733 1.00 0.00 O ATOM 0 H TYR A 27 1.455 -5.908 -3.042 1.00 0.00 H new ATOM 0 HA TYR A 27 2.472 -4.200 -4.964 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.302 -4.956 -4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.106 -3.737 -5.289 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.809 -4.556 -7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.743 -7.090 -4.853 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.046 -6.321 -8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.503 -8.857 -6.539 1.00 0.00 H new ATOM 0 HH TYR A 27 0.400 -9.468 -8.462 1.00 0.00 H new ATOM 343 N LEU A 28 1.002 -2.617 -2.480 1.00 0.00 N ATOM 344 CA LEU A 28 0.831 -1.309 -1.857 1.00 0.00 C ATOM 345 C LEU A 28 2.182 -0.666 -1.560 1.00 0.00 C ATOM 346 O LEU A 28 2.407 0.503 -1.875 1.00 0.00 O ATOM 347 CB LEU A 28 0.020 -1.439 -0.566 1.00 0.00 C ATOM 348 CG LEU A 28 -0.204 -0.146 0.218 1.00 0.00 C ATOM 349 CD1 LEU A 28 -1.056 0.825 -0.585 1.00 0.00 C ATOM 350 CD2 LEU A 28 -0.854 -0.443 1.562 1.00 0.00 C ATOM 0 H LEU A 28 0.645 -3.397 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 28 0.291 -0.669 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.953 -1.864 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.524 -2.153 0.086 1.00 0.00 H new ATOM 0 HG LEU A 28 0.765 0.318 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.205 1.739 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.552 1.063 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.023 0.370 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.006 0.489 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.816 -0.930 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.206 -1.101 2.142 1.00 0.00 H new ATOM 362 N ILE A 29 3.078 -1.439 -0.955 1.00 0.00 N ATOM 363 CA ILE A 29 4.408 -0.946 -0.619 1.00 0.00 C ATOM 364 C ILE A 29 5.101 -0.355 -1.842 1.00 0.00 C ATOM 365 O ILE A 29 5.737 0.697 -1.760 1.00 0.00 O ATOM 366 CB ILE A 29 5.291 -2.063 -0.033 1.00 0.00 C ATOM 367 CG1 ILE A 29 4.659 -2.627 1.242 1.00 0.00 C ATOM 368 CG2 ILE A 29 6.691 -1.538 0.251 1.00 0.00 C ATOM 369 CD1 ILE A 29 5.283 -3.926 1.702 1.00 0.00 C ATOM 0 H ILE A 29 2.907 -2.408 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 29 4.275 -0.167 0.132 1.00 0.00 H new ATOM 0 HB ILE A 29 5.367 -2.867 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.747 -1.889 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.594 -2.785 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.303 -2.339 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.140 -1.180 -0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.634 -0.718 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.786 -4.267 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.171 -4.679 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.342 -3.769 1.906 1.00 0.00 H new ATOM 381 N ILE A 30 4.971 -1.036 -2.975 1.00 0.00 N ATOM 382 CA ILE A 30 5.582 -0.577 -4.216 1.00 0.00 C ATOM 383 C ILE A 30 5.017 0.775 -4.639 1.00 0.00 C ATOM 384 O ILE A 30 5.660 1.526 -5.374 1.00 0.00 O ATOM 385 CB ILE A 30 5.369 -1.589 -5.357 1.00 0.00 C ATOM 386 CG1 ILE A 30 5.811 -2.986 -4.918 1.00 0.00 C ATOM 387 CG2 ILE A 30 6.129 -1.153 -6.601 1.00 0.00 C ATOM 388 CD1 ILE A 30 5.117 -4.103 -5.665 1.00 0.00 C ATOM 0 H ILE A 30 4.448 -1.908 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 30 6.650 -0.478 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 30 4.307 -1.624 -5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.888 -3.079 -5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.620 -3.100 -3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.968 -1.879 -7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.770 -0.175 -6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.193 -1.093 -6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.480 -5.064 -5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.041 -4.036 -5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.329 -4.015 -6.731 1.00 0.00 H new ATOM 400 N HIS A 31 3.812 1.080 -4.169 1.00 0.00 N ATOM 401 CA HIS A 31 3.161 2.344 -4.497 1.00 0.00 C ATOM 402 C HIS A 31 3.396 3.377 -3.399 1.00 0.00 C ATOM 403 O HIS A 31 3.331 4.581 -3.642 1.00 0.00 O ATOM 404 CB HIS A 31 1.661 2.131 -4.701 1.00 0.00 C ATOM 405 CG HIS A 31 0.902 3.401 -4.935 1.00 0.00 C ATOM 406 ND1 HIS A 31 0.774 3.982 -6.179 1.00 0.00 N ATOM 407 CD2 HIS A 31 0.228 4.202 -4.077 1.00 0.00 C ATOM 408 CE1 HIS A 31 0.055 5.086 -6.075 1.00 0.00 C ATOM 409 NE2 HIS A 31 -0.289 5.241 -4.810 1.00 0.00 N ATOM 0 H HIS A 31 3.266 0.470 -3.560 1.00 0.00 H new ATOM 0 HA HIS A 31 3.596 2.719 -5.423 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.509 1.465 -5.550 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.251 1.629 -3.825 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.172 3.617 -7.044 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.118 4.052 -3.013 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.207 5.749 -6.887 1.00 0.00 H new ATOM 417 N MET A 32 3.668 2.897 -2.190 1.00 0.00 N ATOM 418 CA MET A 32 3.912 3.779 -1.054 1.00 0.00 C ATOM 419 C MET A 32 5.374 4.213 -1.009 1.00 0.00 C ATOM 420 O MET A 32 5.750 5.077 -0.216 1.00 0.00 O ATOM 421 CB MET A 32 3.535 3.080 0.253 1.00 0.00 C ATOM 422 CG MET A 32 2.039 2.857 0.413 1.00 0.00 C ATOM 423 SD MET A 32 1.083 4.367 0.173 1.00 0.00 S ATOM 424 CE MET A 32 1.287 5.154 1.769 1.00 0.00 C ATOM 0 H MET A 32 3.725 1.902 -1.971 1.00 0.00 H new ATOM 0 HA MET A 32 3.290 4.666 -1.174 1.00 0.00 H new ATOM 0 HB2 MET A 32 4.045 2.118 0.301 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.897 3.675 1.091 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.709 2.105 -0.303 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.839 2.459 1.408 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.751 6.103 1.778 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.888 4.505 2.548 1.00 0.00 H new ATOM 0 HE3 MET A 32 2.346 5.334 1.953 1.00 0.00 H new ATOM 434 N ARG A 33 6.193 3.609 -1.863 1.00 0.00 N ATOM 435 CA ARG A 33 7.614 3.932 -1.918 1.00 0.00 C ATOM 436 C ARG A 33 7.846 5.230 -2.686 1.00 0.00 C ATOM 437 O ARG A 33 8.895 5.862 -2.556 1.00 0.00 O ATOM 438 CB ARG A 33 8.394 2.792 -2.575 1.00 0.00 C ATOM 439 CG ARG A 33 8.093 2.622 -4.055 1.00 0.00 C ATOM 440 CD ARG A 33 8.456 1.227 -4.541 1.00 0.00 C ATOM 441 NE ARG A 33 9.830 1.158 -5.029 1.00 0.00 N ATOM 442 CZ ARG A 33 10.534 0.032 -5.087 1.00 0.00 C ATOM 443 NH1 ARG A 33 9.994 -1.112 -4.689 1.00 0.00 N ATOM 444 NH2 ARG A 33 11.779 0.050 -5.543 1.00 0.00 N ATOM 0 H ARG A 33 5.897 2.893 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 33 7.971 4.065 -0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.461 2.973 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.165 1.861 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.034 2.807 -4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.649 3.364 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.324 0.514 -3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.773 0.932 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 33 10.274 2.021 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.037 -1.129 -4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.536 -1.975 -4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.197 0.928 -5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.319 -0.815 -5.587 1.00 0.00 H new ATOM 458 N THR A 34 6.861 5.622 -3.488 1.00 0.00 N ATOM 459 CA THR A 34 6.958 6.843 -4.278 1.00 0.00 C ATOM 460 C THR A 34 6.316 8.020 -3.553 1.00 0.00 C ATOM 461 O THR A 34 6.808 9.147 -3.620 1.00 0.00 O ATOM 462 CB THR A 34 6.289 6.675 -5.655 1.00 0.00 C ATOM 463 OG1 THR A 34 6.270 7.929 -6.346 1.00 0.00 O ATOM 464 CG2 THR A 34 4.868 6.151 -5.506 1.00 0.00 C ATOM 0 H THR A 34 5.986 5.111 -3.608 1.00 0.00 H new ATOM 0 HA THR A 34 8.020 7.044 -4.420 1.00 0.00 H new ATOM 0 HB THR A 34 6.868 5.952 -6.230 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.845 7.814 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.416 6.040 -6.492 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.888 5.183 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.281 6.854 -4.914 1.00 0.00 H new ATOM 472 N HIS A 35 5.215 7.752 -2.858 1.00 0.00 N ATOM 473 CA HIS A 35 4.506 8.790 -2.119 1.00 0.00 C ATOM 474 C HIS A 35 5.426 9.455 -1.099 1.00 0.00 C ATOM 475 O HIS A 35 5.462 9.062 0.067 1.00 0.00 O ATOM 476 CB HIS A 35 3.285 8.199 -1.413 1.00 0.00 C ATOM 477 CG HIS A 35 2.039 8.232 -2.243 1.00 0.00 C ATOM 478 ND1 HIS A 35 1.604 9.362 -2.903 1.00 0.00 N ATOM 479 CD2 HIS A 35 1.134 7.265 -2.521 1.00 0.00 C ATOM 480 CE1 HIS A 35 0.484 9.089 -3.548 1.00 0.00 C ATOM 481 NE2 HIS A 35 0.178 7.822 -3.334 1.00 0.00 N ATOM 0 H HIS A 35 4.795 6.825 -2.791 1.00 0.00 H new ATOM 0 HA HIS A 35 4.174 9.546 -2.830 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.500 7.167 -1.136 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.110 8.748 -0.488 1.00 0.00 H new ATOM 0 HD1 HIS A 35 2.074 10.267 -2.894 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.159 6.244 -2.169 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.085 9.784 -4.148 1.00 0.00 H new ATOM 489 N SER A 36 6.167 10.463 -1.547 1.00 0.00 N ATOM 490 CA SER A 36 7.090 11.179 -0.674 1.00 0.00 C ATOM 491 C SER A 36 6.331 11.969 0.388 1.00 0.00 C ATOM 492 O SER A 36 5.442 12.759 0.073 1.00 0.00 O ATOM 493 CB SER A 36 7.973 12.122 -1.494 1.00 0.00 C ATOM 494 OG SER A 36 8.686 11.413 -2.493 1.00 0.00 O ATOM 0 H SER A 36 6.146 10.802 -2.509 1.00 0.00 H new ATOM 0 HA SER A 36 7.722 10.445 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.356 12.890 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.675 12.633 -0.835 1.00 0.00 H new ATOM 0 HG SER A 36 9.241 12.038 -3.004 1.00 0.00 H new ATOM 500 N GLY A 37 6.690 11.750 1.649 1.00 0.00 N ATOM 501 CA GLY A 37 6.034 12.448 2.739 1.00 0.00 C ATOM 502 C GLY A 37 6.210 11.742 4.069 1.00 0.00 C ATOM 503 O GLY A 37 5.237 11.490 4.779 1.00 0.00 O ATOM 0 H GLY A 37 7.424 11.102 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.435 13.459 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.971 12.542 2.519 1.00 0.00 H new ATOM 507 N GLU A 38 7.455 11.420 4.406 1.00 0.00 N ATOM 508 CA GLU A 38 7.754 10.736 5.659 1.00 0.00 C ATOM 509 C GLU A 38 7.391 11.610 6.856 1.00 0.00 C ATOM 510 O GLU A 38 7.920 12.709 7.020 1.00 0.00 O ATOM 511 CB GLU A 38 9.236 10.360 5.719 1.00 0.00 C ATOM 512 CG GLU A 38 9.638 9.304 4.704 1.00 0.00 C ATOM 513 CD GLU A 38 11.059 8.813 4.904 1.00 0.00 C ATOM 514 OE1 GLU A 38 11.970 9.660 5.013 1.00 0.00 O ATOM 515 OE2 GLU A 38 11.259 7.581 4.950 1.00 0.00 O ATOM 0 H GLU A 38 8.272 11.622 3.830 1.00 0.00 H new ATOM 0 HA GLU A 38 7.154 9.827 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.836 11.255 5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.470 9.997 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.953 8.459 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.537 9.714 3.699 1.00 0.00 H new ATOM 522 N LYS A 39 6.483 11.113 7.689 1.00 0.00 N ATOM 523 CA LYS A 39 6.047 11.846 8.872 1.00 0.00 C ATOM 524 C LYS A 39 5.194 10.962 9.777 1.00 0.00 C ATOM 525 O LYS A 39 4.416 10.128 9.314 1.00 0.00 O ATOM 526 CB LYS A 39 5.256 13.090 8.464 1.00 0.00 C ATOM 527 CG LYS A 39 3.948 12.775 7.759 1.00 0.00 C ATOM 528 CD LYS A 39 3.019 13.978 7.742 1.00 0.00 C ATOM 529 CE LYS A 39 3.268 14.857 6.526 1.00 0.00 C ATOM 530 NZ LYS A 39 4.291 15.904 6.799 1.00 0.00 N ATOM 0 H LYS A 39 6.034 10.205 7.567 1.00 0.00 H new ATOM 0 HA LYS A 39 6.934 12.153 9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.046 13.684 9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.874 13.704 7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.152 12.458 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.456 11.941 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.983 13.639 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.162 14.563 8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.596 14.238 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.334 15.331 6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.969 16.813 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.429 15.996 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.191 15.635 6.352 1.00 0.00 H new ATOM 544 N PRO A 40 5.342 11.148 11.097 1.00 0.00 N ATOM 545 CA PRO A 40 4.591 10.378 12.093 1.00 0.00 C ATOM 546 C PRO A 40 3.110 10.738 12.109 1.00 0.00 C ATOM 547 O PRO A 40 2.730 11.827 12.540 1.00 0.00 O ATOM 548 CB PRO A 40 5.251 10.772 13.417 1.00 0.00 C ATOM 549 CG PRO A 40 5.834 12.119 13.163 1.00 0.00 C ATOM 550 CD PRO A 40 6.252 12.124 11.719 1.00 0.00 C ATOM 0 HA PRO A 40 4.621 9.308 11.887 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.524 10.802 14.228 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.020 10.055 13.705 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.104 12.904 13.361 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.686 12.305 13.817 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.146 13.113 11.273 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.296 11.832 11.602 1.00 0.00 H new ATOM 558 N SER A 41 2.276 9.817 11.635 1.00 0.00 N ATOM 559 CA SER A 41 0.836 10.040 11.592 1.00 0.00 C ATOM 560 C SER A 41 0.150 9.396 12.793 1.00 0.00 C ATOM 561 O SER A 41 -0.289 8.248 12.730 1.00 0.00 O ATOM 562 CB SER A 41 0.251 9.478 10.295 1.00 0.00 C ATOM 563 OG SER A 41 0.459 8.079 10.205 1.00 0.00 O ATOM 0 H SER A 41 2.573 8.910 11.276 1.00 0.00 H new ATOM 0 HA SER A 41 0.658 11.115 11.628 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.817 9.694 10.251 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.712 9.973 9.440 1.00 0.00 H new ATOM 0 HG SER A 41 0.235 7.659 11.062 1.00 0.00 H new ATOM 569 N GLY A 42 0.062 10.144 13.889 1.00 0.00 N ATOM 570 CA GLY A 42 -0.570 9.631 15.089 1.00 0.00 C ATOM 571 C GLY A 42 0.435 9.105 16.095 1.00 0.00 C ATOM 572 O GLY A 42 1.600 8.870 15.775 1.00 0.00 O ATOM 0 H GLY A 42 0.418 11.097 13.966 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.162 10.422 15.551 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.261 8.832 14.819 1.00 0.00 H new ATOM 576 N PRO A 43 -0.016 8.913 17.343 1.00 0.00 N ATOM 577 CA PRO A 43 0.837 8.411 18.425 1.00 0.00 C ATOM 578 C PRO A 43 1.215 6.946 18.232 1.00 0.00 C ATOM 579 O PRO A 43 1.920 6.364 19.055 1.00 0.00 O ATOM 580 CB PRO A 43 -0.035 8.578 19.671 1.00 0.00 C ATOM 581 CG PRO A 43 -1.435 8.545 19.162 1.00 0.00 C ATOM 582 CD PRO A 43 -1.393 9.172 17.796 1.00 0.00 C ATOM 0 HA PRO A 43 1.786 8.945 18.477 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.144 7.778 20.389 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.179 9.518 20.181 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.808 7.522 19.111 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.104 9.095 19.824 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.127 8.725 17.126 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.608 10.240 17.837 1.00 0.00 H new ATOM 590 N SER A 44 0.742 6.357 17.138 1.00 0.00 N ATOM 591 CA SER A 44 1.028 4.959 16.839 1.00 0.00 C ATOM 592 C SER A 44 2.430 4.579 17.305 1.00 0.00 C ATOM 593 O SER A 44 3.425 4.966 16.692 1.00 0.00 O ATOM 594 CB SER A 44 0.888 4.697 15.338 1.00 0.00 C ATOM 595 OG SER A 44 0.504 3.357 15.087 1.00 0.00 O ATOM 0 H SER A 44 0.159 6.826 16.445 1.00 0.00 H new ATOM 0 HA SER A 44 0.307 4.344 17.377 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.148 5.376 14.915 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.834 4.907 14.839 1.00 0.00 H new ATOM 0 HG SER A 44 0.420 3.216 14.121 1.00 0.00 H new ATOM 601 N SER A 45 2.500 3.819 18.393 1.00 0.00 N ATOM 602 CA SER A 45 3.780 3.390 18.945 1.00 0.00 C ATOM 603 C SER A 45 3.574 2.423 20.106 1.00 0.00 C ATOM 604 O SER A 45 2.449 2.198 20.549 1.00 0.00 O ATOM 605 CB SER A 45 4.590 4.601 19.412 1.00 0.00 C ATOM 606 OG SER A 45 3.862 5.367 20.356 1.00 0.00 O ATOM 0 H SER A 45 1.686 3.488 18.910 1.00 0.00 H new ATOM 0 HA SER A 45 4.332 2.874 18.159 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.528 4.266 19.856 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.847 5.223 18.555 1.00 0.00 H new ATOM 0 HG SER A 45 3.140 5.848 19.900 1.00 0.00 H new ATOM 612 N GLY A 46 4.671 1.852 20.595 1.00 0.00 N ATOM 613 CA GLY A 46 4.591 0.915 21.700 1.00 0.00 C ATOM 614 C GLY A 46 4.867 -0.512 21.272 1.00 0.00 C ATOM 615 O GLY A 46 4.740 -0.817 20.087 1.00 0.00 O ATOM 0 H GLY A 46 5.614 2.022 20.245 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.306 1.205 22.470 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.599 0.971 22.149 1.00 0.00 H new TER 619 GLY A 46 HETATM 620 ZN ZN A 201 -1.293 6.509 -3.597 1.00 0.00 ZN