USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 400 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 18 HIS HE2 : A 18 HIS NE2 : A 181 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= -0.0939 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -39:sc= 0.378 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.23! C(o=-2.1!,f=-1.2!) USER MOD Single : A 25 THR OG1 : rot -100:sc= 1.14 USER MOD Single : A 26 ASN :FLIP amide:sc= -1.22 F(o=-4.1!,f=-1.2) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.0629 (180deg=-0.375) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -0.0472 (180deg=-0.383) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 27:sc= 0.853 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.525 F(o=-1.6!,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.343 9.135 0.637 1.00 0.00 N ATOM 2 CA GLY A 1 -12.806 8.651 -0.622 1.00 0.00 C ATOM 3 C GLY A 1 -11.343 9.001 -0.801 1.00 0.00 C ATOM 4 O GLY A 1 -11.007 9.956 -1.501 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.346 8.870 0.711 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.814 8.712 1.426 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.254 10.170 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.926 7.569 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.381 9.074 -1.445 1.00 0.00 H new ATOM 8 N SER A 2 -10.468 8.228 -0.165 1.00 0.00 N ATOM 9 CA SER A 2 -9.032 8.465 -0.253 1.00 0.00 C ATOM 10 C SER A 2 -8.359 7.406 -1.121 1.00 0.00 C ATOM 11 O SER A 2 -8.713 6.228 -1.069 1.00 0.00 O ATOM 12 CB SER A 2 -8.408 8.468 1.143 1.00 0.00 C ATOM 13 OG SER A 2 -8.717 7.275 1.843 1.00 0.00 O ATOM 0 H SER A 2 -10.729 7.432 0.417 1.00 0.00 H new ATOM 0 HA SER A 2 -8.877 9.440 -0.714 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.326 8.575 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.772 9.328 1.705 1.00 0.00 H new ATOM 0 HG SER A 2 -8.305 7.301 2.732 1.00 0.00 H new ATOM 19 N SER A 3 -7.387 7.835 -1.919 1.00 0.00 N ATOM 20 CA SER A 3 -6.665 6.926 -2.803 1.00 0.00 C ATOM 21 C SER A 3 -5.471 6.304 -2.085 1.00 0.00 C ATOM 22 O SER A 3 -4.715 6.994 -1.403 1.00 0.00 O ATOM 23 CB SER A 3 -6.193 7.666 -4.055 1.00 0.00 C ATOM 24 OG SER A 3 -7.285 7.992 -4.898 1.00 0.00 O ATOM 0 H SER A 3 -7.081 8.806 -1.972 1.00 0.00 H new ATOM 0 HA SER A 3 -7.346 6.127 -3.097 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.668 8.577 -3.767 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.481 7.047 -4.600 1.00 0.00 H new ATOM 0 HG SER A 3 -6.956 8.466 -5.690 1.00 0.00 H new ATOM 30 N GLY A 4 -5.310 4.994 -2.243 1.00 0.00 N ATOM 31 CA GLY A 4 -4.207 4.300 -1.605 1.00 0.00 C ATOM 32 C GLY A 4 -4.472 2.816 -1.443 1.00 0.00 C ATOM 33 O GLY A 4 -4.851 2.138 -2.398 1.00 0.00 O ATOM 0 H GLY A 4 -5.924 4.401 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.302 4.442 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.021 4.742 -0.626 1.00 0.00 H new ATOM 37 N SER A 5 -4.271 2.309 -0.230 1.00 0.00 N ATOM 38 CA SER A 5 -4.485 0.895 0.052 1.00 0.00 C ATOM 39 C SER A 5 -5.892 0.656 0.590 1.00 0.00 C ATOM 40 O SER A 5 -6.585 -0.265 0.158 1.00 0.00 O ATOM 41 CB SER A 5 -3.449 0.392 1.060 1.00 0.00 C ATOM 42 OG SER A 5 -3.613 1.023 2.318 1.00 0.00 O ATOM 0 H SER A 5 -3.960 2.857 0.572 1.00 0.00 H new ATOM 0 HA SER A 5 -4.372 0.342 -0.881 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.544 -0.688 1.176 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.445 0.584 0.681 1.00 0.00 H new ATOM 0 HG SER A 5 -2.940 0.683 2.945 1.00 0.00 H new ATOM 48 N SER A 6 -6.308 1.492 1.536 1.00 0.00 N ATOM 49 CA SER A 6 -7.631 1.370 2.137 1.00 0.00 C ATOM 50 C SER A 6 -8.713 1.323 1.063 1.00 0.00 C ATOM 51 O SER A 6 -8.706 2.117 0.123 1.00 0.00 O ATOM 52 CB SER A 6 -7.892 2.539 3.089 1.00 0.00 C ATOM 53 OG SER A 6 -9.131 2.385 3.758 1.00 0.00 O ATOM 0 H SER A 6 -5.748 2.261 1.903 1.00 0.00 H new ATOM 0 HA SER A 6 -7.662 0.438 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.086 2.604 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.891 3.475 2.530 1.00 0.00 H new ATOM 0 HG SER A 6 -9.273 3.144 4.362 1.00 0.00 H new ATOM 59 N GLY A 7 -9.644 0.385 1.210 1.00 0.00 N ATOM 60 CA GLY A 7 -10.720 0.250 0.246 1.00 0.00 C ATOM 61 C GLY A 7 -11.096 -1.197 -0.005 1.00 0.00 C ATOM 62 O GLY A 7 -10.270 -2.096 0.152 1.00 0.00 O ATOM 0 H GLY A 7 -9.672 -0.284 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.595 0.792 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.421 0.713 -0.695 1.00 0.00 H new ATOM 66 N TYR A 8 -12.345 -1.423 -0.396 1.00 0.00 N ATOM 67 CA TYR A 8 -12.830 -2.771 -0.665 1.00 0.00 C ATOM 68 C TYR A 8 -11.904 -3.499 -1.636 1.00 0.00 C ATOM 69 O TYR A 8 -10.931 -2.929 -2.131 1.00 0.00 O ATOM 70 CB TYR A 8 -14.248 -2.722 -1.236 1.00 0.00 C ATOM 71 CG TYR A 8 -14.291 -2.639 -2.745 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.288 -3.790 -3.524 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.334 -1.411 -3.393 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.326 -3.720 -4.903 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.374 -1.331 -4.771 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.370 -2.489 -5.522 1.00 0.00 C ATOM 77 OH TYR A 8 -14.408 -2.413 -6.895 1.00 0.00 O ATOM 0 H TYR A 8 -13.040 -0.690 -0.534 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.844 -3.319 0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.791 -3.610 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.769 -1.861 -0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.255 -4.756 -3.043 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.336 -0.503 -2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.321 -4.625 -5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.408 -0.368 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.437 -1.473 -7.170 1.00 0.00 H new ATOM 87 N THR A 9 -12.215 -4.763 -1.905 1.00 0.00 N ATOM 88 CA THR A 9 -11.413 -5.571 -2.815 1.00 0.00 C ATOM 89 C THR A 9 -12.151 -6.842 -3.219 1.00 0.00 C ATOM 90 O THR A 9 -12.985 -7.352 -2.470 1.00 0.00 O ATOM 91 CB THR A 9 -10.062 -5.955 -2.182 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.464 -4.808 -1.569 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.117 -6.527 -3.229 1.00 0.00 C ATOM 0 H THR A 9 -13.017 -5.250 -1.505 1.00 0.00 H new ATOM 0 HA THR A 9 -11.232 -4.963 -3.701 1.00 0.00 H new ATOM 0 HB THR A 9 -10.245 -6.717 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.616 -4.020 -2.131 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.170 -6.791 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.562 -7.417 -3.673 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.942 -5.783 -4.006 1.00 0.00 H new ATOM 101 N CYS A 10 -11.840 -7.349 -4.407 1.00 0.00 N ATOM 102 CA CYS A 10 -12.474 -8.561 -4.911 1.00 0.00 C ATOM 103 C CYS A 10 -12.334 -9.705 -3.911 1.00 0.00 C ATOM 104 O CYS A 10 -11.233 -10.195 -3.661 1.00 0.00 O ATOM 105 CB CYS A 10 -11.858 -8.964 -6.252 1.00 0.00 C ATOM 106 SG CYS A 10 -12.536 -10.504 -6.950 1.00 0.00 S ATOM 0 H CYS A 10 -11.152 -6.939 -5.039 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.535 -8.354 -5.053 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.011 -8.156 -6.967 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.781 -9.078 -6.125 1.00 0.00 H new ATOM 111 N PHE A 11 -13.459 -10.126 -3.341 1.00 0.00 N ATOM 112 CA PHE A 11 -13.462 -11.211 -2.367 1.00 0.00 C ATOM 113 C PHE A 11 -13.349 -12.565 -3.062 1.00 0.00 C ATOM 114 O PHE A 11 -13.488 -13.612 -2.430 1.00 0.00 O ATOM 115 CB PHE A 11 -14.738 -11.163 -1.523 1.00 0.00 C ATOM 116 CG PHE A 11 -14.675 -12.022 -0.293 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.625 -11.896 0.603 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.665 -12.955 -0.032 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.565 -12.686 1.736 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.610 -13.748 1.100 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.559 -13.612 1.985 1.00 0.00 C ATOM 0 H PHE A 11 -14.379 -9.732 -3.537 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.598 -11.084 -1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.930 -10.132 -1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.582 -11.481 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.845 -11.173 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.490 -13.065 -0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.741 -12.579 2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.388 -14.472 1.291 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.514 -14.229 2.870 1.00 0.00 H new ATOM 131 N ARG A 12 -13.096 -12.535 -4.366 1.00 0.00 N ATOM 132 CA ARG A 12 -12.965 -13.759 -5.147 1.00 0.00 C ATOM 133 C ARG A 12 -11.506 -14.195 -5.236 1.00 0.00 C ATOM 134 O ARG A 12 -11.129 -15.249 -4.723 1.00 0.00 O ATOM 135 CB ARG A 12 -13.533 -13.555 -6.553 1.00 0.00 C ATOM 136 CG ARG A 12 -13.941 -14.849 -7.239 1.00 0.00 C ATOM 137 CD ARG A 12 -14.751 -14.580 -8.498 1.00 0.00 C ATOM 138 NE ARG A 12 -15.446 -15.776 -8.966 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.631 -16.164 -8.509 1.00 0.00 C ATOM 140 NH1 ARG A 12 -17.250 -15.454 -7.576 1.00 0.00 N ATOM 141 NH2 ARG A 12 -17.200 -17.264 -8.985 1.00 0.00 N ATOM 0 H ARG A 12 -12.978 -11.677 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.530 -14.543 -4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.399 -12.896 -6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.788 -13.048 -7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.050 -15.424 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.527 -15.458 -6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.478 -13.792 -8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.090 -14.214 -9.283 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.996 -16.345 -9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.816 -14.608 -7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.160 -15.754 -7.227 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.727 -17.813 -9.703 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.110 -17.561 -8.633 1.00 0.00 H new ATOM 155 N CYS A 13 -10.688 -13.376 -5.889 1.00 0.00 N ATOM 156 CA CYS A 13 -9.270 -13.677 -6.046 1.00 0.00 C ATOM 157 C CYS A 13 -8.431 -12.877 -5.053 1.00 0.00 C ATOM 158 O CYS A 13 -7.377 -13.328 -4.610 1.00 0.00 O ATOM 159 CB CYS A 13 -8.817 -13.371 -7.475 1.00 0.00 C ATOM 160 SG CYS A 13 -8.953 -11.614 -7.938 1.00 0.00 S ATOM 0 H CYS A 13 -10.983 -12.499 -6.318 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.125 -14.739 -5.845 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.780 -13.687 -7.592 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.412 -13.966 -8.168 1.00 0.00 H new ATOM 165 N GLY A 14 -8.909 -11.685 -4.709 1.00 0.00 N ATOM 166 CA GLY A 14 -8.192 -10.841 -3.771 1.00 0.00 C ATOM 167 C GLY A 14 -7.444 -9.715 -4.459 1.00 0.00 C ATOM 168 O GLY A 14 -6.329 -9.370 -4.067 1.00 0.00 O ATOM 0 H GLY A 14 -9.780 -11.289 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.897 -10.420 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.486 -11.449 -3.205 1.00 0.00 H new ATOM 172 N LYS A 15 -8.058 -9.141 -5.488 1.00 0.00 N ATOM 173 CA LYS A 15 -7.445 -8.048 -6.233 1.00 0.00 C ATOM 174 C LYS A 15 -8.389 -6.853 -6.322 1.00 0.00 C ATOM 175 O LYS A 15 -9.565 -6.985 -6.659 1.00 0.00 O ATOM 176 CB LYS A 15 -7.061 -8.514 -7.639 1.00 0.00 C ATOM 177 CG LYS A 15 -5.933 -9.531 -7.657 1.00 0.00 C ATOM 178 CD LYS A 15 -4.576 -8.857 -7.769 1.00 0.00 C ATOM 179 CE LYS A 15 -4.157 -8.687 -9.221 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.700 -8.405 -9.348 1.00 0.00 N ATOM 0 H LYS A 15 -8.981 -9.415 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.545 -7.739 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.937 -8.948 -8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.767 -7.648 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.968 -10.131 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.071 -10.214 -8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.611 -7.882 -7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.829 -9.450 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.402 -9.591 -9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.725 -7.872 -9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.454 -8.296 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.470 -7.528 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.157 -9.194 -8.942 1.00 0.00 H new ATOM 194 N PRO A 16 -7.863 -5.659 -6.014 1.00 0.00 N ATOM 195 CA PRO A 16 -8.641 -4.417 -6.054 1.00 0.00 C ATOM 196 C PRO A 16 -8.999 -4.002 -7.477 1.00 0.00 C ATOM 197 O PRO A 16 -8.732 -4.731 -8.432 1.00 0.00 O ATOM 198 CB PRO A 16 -7.702 -3.389 -5.418 1.00 0.00 C ATOM 199 CG PRO A 16 -6.334 -3.931 -5.651 1.00 0.00 C ATOM 200 CD PRO A 16 -6.467 -5.428 -5.604 1.00 0.00 C ATOM 0 HA PRO A 16 -9.596 -4.518 -5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.822 -2.407 -5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.906 -3.272 -4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.944 -3.604 -6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.639 -3.577 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.764 -5.915 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.272 -5.818 -4.605 1.00 0.00 H new ATOM 208 N GLY A 17 -9.603 -2.826 -7.612 1.00 0.00 N ATOM 209 CA GLY A 17 -9.987 -2.335 -8.923 1.00 0.00 C ATOM 210 C GLY A 17 -11.316 -2.898 -9.387 1.00 0.00 C ATOM 211 O GLY A 17 -12.096 -2.208 -10.044 1.00 0.00 O ATOM 0 H GLY A 17 -9.834 -2.204 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.046 -1.247 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.214 -2.595 -9.646 1.00 0.00 H new ATOM 215 N HIS A 18 -11.575 -4.157 -9.046 1.00 0.00 N ATOM 216 CA HIS A 18 -12.818 -4.813 -9.434 1.00 0.00 C ATOM 217 C HIS A 18 -13.440 -5.543 -8.247 1.00 0.00 C ATOM 218 O HIS A 18 -12.780 -5.775 -7.233 1.00 0.00 O ATOM 219 CB HIS A 18 -12.566 -5.797 -10.577 1.00 0.00 C ATOM 220 CG HIS A 18 -11.770 -6.998 -10.169 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.394 -7.049 -10.242 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.164 -8.197 -9.681 1.00 0.00 C ATOM 223 CE1 HIS A 18 -9.976 -8.228 -9.817 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.031 -8.943 -9.470 1.00 0.00 N ATOM 0 H HIS A 18 -10.941 -4.742 -8.502 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.514 -4.046 -9.773 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.524 -6.126 -10.980 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.042 -5.280 -11.381 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.793 -6.294 -10.573 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.181 -8.509 -9.493 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.947 -8.552 -9.763 1.00 0.00 H new ATOM 232 N TYR A 19 -14.711 -5.903 -8.380 1.00 0.00 N ATOM 233 CA TYR A 19 -15.423 -6.604 -7.317 1.00 0.00 C ATOM 234 C TYR A 19 -15.618 -8.075 -7.671 1.00 0.00 C ATOM 235 O TYR A 19 -15.564 -8.456 -8.840 1.00 0.00 O ATOM 236 CB TYR A 19 -16.779 -5.944 -7.062 1.00 0.00 C ATOM 237 CG TYR A 19 -17.394 -5.326 -8.297 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.821 -4.211 -8.898 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.547 -5.854 -8.862 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.379 -3.642 -10.026 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.112 -5.292 -9.991 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.524 -4.186 -10.569 1.00 0.00 C ATOM 243 OH TYR A 19 -19.084 -3.623 -11.693 1.00 0.00 O ATOM 0 H TYR A 19 -15.270 -5.721 -9.213 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.822 -6.544 -6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.465 -6.688 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.661 -5.173 -6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.924 -3.782 -8.476 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.011 -6.719 -8.411 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.921 -2.776 -10.480 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.009 -5.716 -10.418 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.885 -4.127 -11.947 1.00 0.00 H new ATOM 253 N ILE A 20 -15.846 -8.896 -6.651 1.00 0.00 N ATOM 254 CA ILE A 20 -16.052 -10.325 -6.853 1.00 0.00 C ATOM 255 C ILE A 20 -17.065 -10.583 -7.963 1.00 0.00 C ATOM 256 O ILE A 20 -16.944 -11.547 -8.719 1.00 0.00 O ATOM 257 CB ILE A 20 -16.535 -11.012 -5.563 1.00 0.00 C ATOM 258 CG1 ILE A 20 -16.964 -12.452 -5.855 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.681 -10.228 -4.942 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.801 -13.382 -4.674 1.00 0.00 C ATOM 0 H ILE A 20 -15.893 -8.596 -5.677 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.088 -10.745 -7.139 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.710 -11.036 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.008 -12.455 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.379 -12.834 -6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.011 -10.727 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.344 -9.220 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.510 -10.175 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.124 -14.385 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.753 -13.409 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.408 -13.024 -3.842 1.00 0.00 H new ATOM 272 N LYS A 21 -18.066 -9.713 -8.057 1.00 0.00 N ATOM 273 CA LYS A 21 -19.100 -9.844 -9.077 1.00 0.00 C ATOM 274 C LYS A 21 -18.557 -9.474 -10.453 1.00 0.00 C ATOM 275 O LYS A 21 -18.988 -10.020 -11.468 1.00 0.00 O ATOM 276 CB LYS A 21 -20.298 -8.955 -8.734 1.00 0.00 C ATOM 277 CG LYS A 21 -20.421 -8.645 -7.252 1.00 0.00 C ATOM 278 CD LYS A 21 -21.766 -8.020 -6.923 1.00 0.00 C ATOM 279 CE LYS A 21 -21.844 -6.579 -7.406 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.178 -5.975 -7.138 1.00 0.00 N ATOM 0 H LYS A 21 -18.183 -8.910 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.422 -10.885 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.215 -8.019 -9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.212 -9.445 -9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.294 -9.562 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.621 -7.967 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.562 -8.603 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -21.930 -8.053 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.072 -5.988 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.637 -6.543 -8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.190 -4.994 -7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.912 -6.523 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.365 -5.986 -6.115 1.00 0.00 H new ATOM 294 N ASN A 22 -17.607 -8.545 -10.480 1.00 0.00 N ATOM 295 CA ASN A 22 -17.004 -8.104 -11.733 1.00 0.00 C ATOM 296 C ASN A 22 -15.608 -8.695 -11.902 1.00 0.00 C ATOM 297 O ASN A 22 -14.808 -8.207 -12.702 1.00 0.00 O ATOM 298 CB ASN A 22 -16.933 -6.576 -11.778 1.00 0.00 C ATOM 299 CG ASN A 22 -16.166 -6.069 -12.984 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.103 -5.312 -12.733 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.524 -6.355 -14.127 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.238 -8.083 -9.649 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.630 -8.456 -12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.944 -6.168 -11.796 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.458 -6.210 -10.868 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.347 -6.940 -14.272 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -15.997 -6.007 -14.928 1.00 0.00 H new ATOM 308 N CYS A 23 -15.321 -9.748 -11.144 1.00 0.00 N ATOM 309 CA CYS A 23 -14.022 -10.407 -11.210 1.00 0.00 C ATOM 310 C CYS A 23 -13.859 -11.160 -12.527 1.00 0.00 C ATOM 311 O CYS A 23 -14.720 -11.940 -12.935 1.00 0.00 O ATOM 312 CB CYS A 23 -13.856 -11.371 -10.034 1.00 0.00 C ATOM 313 SG CYS A 23 -12.267 -12.261 -10.020 1.00 0.00 S ATOM 0 H CYS A 23 -15.971 -10.163 -10.477 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.250 -9.639 -11.154 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.955 -10.812 -9.103 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.667 -12.098 -10.057 1.00 0.00 H new ATOM 318 N PRO A 24 -12.729 -10.922 -13.208 1.00 0.00 N ATOM 319 CA PRO A 24 -12.426 -11.569 -14.489 1.00 0.00 C ATOM 320 C PRO A 24 -12.135 -13.057 -14.332 1.00 0.00 C ATOM 321 O PRO A 24 -12.227 -13.823 -15.292 1.00 0.00 O ATOM 322 CB PRO A 24 -11.178 -10.827 -14.974 1.00 0.00 C ATOM 323 CG PRO A 24 -10.536 -10.314 -13.732 1.00 0.00 C ATOM 324 CD PRO A 24 -11.659 -10.004 -12.782 1.00 0.00 C ATOM 0 HA PRO A 24 -13.266 -11.516 -15.182 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.509 -11.492 -15.520 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.439 -10.013 -15.650 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.860 -11.056 -13.308 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.943 -9.423 -13.939 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.369 -10.178 -11.746 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.971 -8.962 -12.855 1.00 0.00 H new ATOM 332 N THR A 25 -11.782 -13.462 -13.115 1.00 0.00 N ATOM 333 CA THR A 25 -11.477 -14.858 -12.833 1.00 0.00 C ATOM 334 C THR A 25 -12.751 -15.670 -12.631 1.00 0.00 C ATOM 335 O THR A 25 -12.718 -16.765 -12.072 1.00 0.00 O ATOM 336 CB THR A 25 -10.589 -14.997 -11.582 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.396 -14.937 -10.400 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.537 -13.900 -11.540 1.00 0.00 C ATOM 0 H THR A 25 -11.701 -12.842 -12.309 1.00 0.00 H new ATOM 0 HA THR A 25 -10.937 -15.244 -13.698 1.00 0.00 H new ATOM 0 HB THR A 25 -10.083 -15.961 -11.628 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.346 -14.037 -10.015 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.922 -14.019 -10.648 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.906 -13.966 -12.427 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.027 -12.927 -11.516 1.00 0.00 H new ATOM 346 N ASN A 26 -13.873 -15.126 -13.092 1.00 0.00 N ATOM 347 CA ASN A 26 -15.159 -15.801 -12.961 1.00 0.00 C ATOM 348 C ASN A 26 -15.268 -16.960 -13.947 1.00 0.00 C ATOM 349 O ASN A 26 -16.337 -17.542 -14.122 1.00 0.00 O ATOM 350 CB ASN A 26 -16.303 -14.812 -13.192 1.00 0.00 C ATOM 351 CG ASN A 26 -16.782 -14.172 -11.903 1.00 0.00 C ATOM 352 OD1 ASN A 26 -15.842 -13.712 -11.086 1.00 0.00 O flip ATOM 353 ND2 ASN A 26 -17.983 -14.090 -11.646 1.00 0.00 N flip ATOM 0 H ASN A 26 -13.917 -14.220 -13.559 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.230 -16.200 -11.949 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.974 -14.034 -13.881 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.136 -15.329 -13.669 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.671 -14.457 -12.303 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -18.290 -13.655 -10.776 1.00 0.00 H new ATOM 360 N GLY A 27 -14.151 -17.291 -14.589 1.00 0.00 N ATOM 361 CA GLY A 27 -14.142 -18.379 -15.550 1.00 0.00 C ATOM 362 C GLY A 27 -13.055 -18.221 -16.595 1.00 0.00 C ATOM 363 O GLY A 27 -13.287 -18.453 -17.781 1.00 0.00 O ATOM 0 H GLY A 27 -13.253 -16.825 -14.461 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.001 -19.323 -15.024 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.112 -18.431 -16.044 1.00 0.00 H new ATOM 367 N ASP A 28 -11.866 -17.823 -16.154 1.00 0.00 N ATOM 368 CA ASP A 28 -10.740 -17.633 -17.060 1.00 0.00 C ATOM 369 C ASP A 28 -9.712 -18.747 -16.891 1.00 0.00 C ATOM 370 O ASP A 28 -8.760 -18.851 -17.664 1.00 0.00 O ATOM 371 CB ASP A 28 -10.082 -16.274 -16.813 1.00 0.00 C ATOM 372 CG ASP A 28 -10.654 -15.184 -17.697 1.00 0.00 C ATOM 373 OD1 ASP A 28 -11.025 -15.489 -18.851 1.00 0.00 O ATOM 374 OD2 ASP A 28 -10.732 -14.026 -17.236 1.00 0.00 O ATOM 0 H ASP A 28 -11.658 -17.626 -15.175 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.119 -17.664 -18.082 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.212 -15.995 -15.767 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.010 -16.356 -16.990 1.00 0.00 H new ATOM 379 N LYS A 29 -9.912 -19.579 -15.874 1.00 0.00 N ATOM 380 CA LYS A 29 -9.004 -20.687 -15.602 1.00 0.00 C ATOM 381 C LYS A 29 -7.560 -20.200 -15.519 1.00 0.00 C ATOM 382 O LYS A 29 -6.636 -20.898 -15.933 1.00 0.00 O ATOM 383 CB LYS A 29 -9.131 -21.756 -16.689 1.00 0.00 C ATOM 384 CG LYS A 29 -10.505 -22.400 -16.752 1.00 0.00 C ATOM 385 CD LYS A 29 -10.441 -23.794 -17.353 1.00 0.00 C ATOM 386 CE LYS A 29 -10.177 -24.848 -16.289 1.00 0.00 C ATOM 387 NZ LYS A 29 -11.333 -25.005 -15.364 1.00 0.00 N ATOM 0 H LYS A 29 -10.695 -19.507 -15.225 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.278 -21.121 -14.640 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.905 -21.307 -17.656 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.384 -22.530 -16.514 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.929 -22.454 -15.749 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.173 -21.777 -17.347 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.379 -24.016 -17.861 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.654 -23.831 -18.106 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.964 -25.803 -16.769 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.290 -24.573 -15.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.290 -25.940 -14.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.297 -24.264 -14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.220 -24.921 -15.900 1.00 0.00 H new ATOM 401 N ASN A 30 -7.376 -18.999 -14.981 1.00 0.00 N ATOM 402 CA ASN A 30 -6.045 -18.420 -14.843 1.00 0.00 C ATOM 403 C ASN A 30 -5.657 -18.292 -13.373 1.00 0.00 C ATOM 404 O ASN A 30 -4.501 -18.502 -13.004 1.00 0.00 O ATOM 405 CB ASN A 30 -5.991 -17.047 -15.518 1.00 0.00 C ATOM 406 CG ASN A 30 -4.645 -16.370 -15.343 1.00 0.00 C ATOM 407 OD1 ASN A 30 -4.429 -15.633 -14.380 1.00 0.00 O ATOM 408 ND2 ASN A 30 -3.733 -16.616 -16.276 1.00 0.00 N ATOM 0 H ASN A 30 -8.131 -18.408 -14.634 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.334 -19.086 -15.331 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.203 -17.159 -16.581 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.772 -16.410 -15.103 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.810 -16.188 -16.212 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.956 -17.233 -17.057 1.00 0.00 H new ATOM 415 N PHE A 31 -6.630 -17.945 -12.538 1.00 0.00 N ATOM 416 CA PHE A 31 -6.391 -17.789 -11.108 1.00 0.00 C ATOM 417 C PHE A 31 -6.495 -19.131 -10.389 1.00 0.00 C ATOM 418 O PHE A 31 -7.532 -19.791 -10.433 1.00 0.00 O ATOM 419 CB PHE A 31 -7.390 -16.798 -10.507 1.00 0.00 C ATOM 420 CG PHE A 31 -8.610 -17.454 -9.926 1.00 0.00 C ATOM 421 CD1 PHE A 31 -9.547 -18.056 -10.750 1.00 0.00 C ATOM 422 CD2 PHE A 31 -8.820 -17.468 -8.557 1.00 0.00 C ATOM 423 CE1 PHE A 31 -10.671 -18.660 -10.218 1.00 0.00 C ATOM 424 CE2 PHE A 31 -9.941 -18.070 -8.019 1.00 0.00 C ATOM 425 CZ PHE A 31 -10.868 -18.668 -8.851 1.00 0.00 C ATOM 0 H PHE A 31 -7.592 -17.766 -12.827 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.381 -17.402 -10.975 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.892 -16.220 -9.728 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.699 -16.093 -11.279 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.398 -18.053 -11.820 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.098 -17.003 -7.902 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.395 -19.125 -10.871 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.093 -18.073 -6.950 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.745 -19.141 -8.433 1.00 0.00 H new ATOM 435 N GLU A 32 -5.411 -19.527 -9.728 1.00 0.00 N ATOM 436 CA GLU A 32 -5.380 -20.790 -9.001 1.00 0.00 C ATOM 437 C GLU A 32 -6.339 -20.759 -7.815 1.00 0.00 C ATOM 438 O GLU A 32 -6.552 -19.713 -7.202 1.00 0.00 O ATOM 439 CB GLU A 32 -3.960 -21.089 -8.515 1.00 0.00 C ATOM 440 CG GLU A 32 -3.660 -22.574 -8.389 1.00 0.00 C ATOM 441 CD GLU A 32 -2.239 -22.845 -7.935 1.00 0.00 C ATOM 442 OE1 GLU A 32 -1.310 -22.214 -8.480 1.00 0.00 O ATOM 443 OE2 GLU A 32 -2.057 -23.689 -7.032 1.00 0.00 O ATOM 0 H GLU A 32 -4.544 -18.992 -9.681 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.697 -21.580 -9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.246 -20.640 -9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.809 -20.613 -7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.356 -23.023 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.829 -23.058 -9.351 1.00 0.00 H new ATOM 450 N SER A 33 -6.916 -21.914 -7.497 1.00 0.00 N ATOM 451 CA SER A 33 -7.856 -22.020 -6.387 1.00 0.00 C ATOM 452 C SER A 33 -7.243 -22.799 -5.228 1.00 0.00 C ATOM 453 O SER A 33 -7.478 -22.487 -4.062 1.00 0.00 O ATOM 454 CB SER A 33 -9.147 -22.700 -6.848 1.00 0.00 C ATOM 455 OG SER A 33 -10.067 -21.752 -7.363 1.00 0.00 O ATOM 0 H SER A 33 -6.749 -22.790 -7.993 1.00 0.00 H new ATOM 0 HA SER A 33 -8.088 -21.012 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.918 -23.442 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.599 -23.233 -6.012 1.00 0.00 H new ATOM 0 HG SER A 33 -10.883 -22.212 -7.652 1.00 0.00 H new ATOM 461 N GLY A 34 -6.454 -23.817 -5.559 1.00 0.00 N ATOM 462 CA GLY A 34 -5.819 -24.627 -4.536 1.00 0.00 C ATOM 463 C GLY A 34 -4.896 -23.817 -3.646 1.00 0.00 C ATOM 464 O GLY A 34 -5.270 -22.771 -3.116 1.00 0.00 O ATOM 0 H GLY A 34 -6.243 -24.095 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.586 -25.101 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.251 -25.427 -5.011 1.00 0.00 H new ATOM 468 N PRO A 35 -3.659 -24.305 -3.470 1.00 0.00 N ATOM 469 CA PRO A 35 -2.655 -23.636 -2.638 1.00 0.00 C ATOM 470 C PRO A 35 -2.160 -22.335 -3.260 1.00 0.00 C ATOM 471 O PRO A 35 -2.062 -22.218 -4.482 1.00 0.00 O ATOM 472 CB PRO A 35 -1.519 -24.659 -2.561 1.00 0.00 C ATOM 473 CG PRO A 35 -1.669 -25.484 -3.792 1.00 0.00 C ATOM 474 CD PRO A 35 -3.145 -25.547 -4.072 1.00 0.00 C ATOM 0 HA PRO A 35 -3.056 -23.351 -1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.546 -24.169 -2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.597 -25.271 -1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.132 -25.037 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.257 -26.482 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.350 -25.590 -5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.602 -26.430 -3.624 1.00 0.00 H new ATOM 482 N ARG A 36 -1.848 -21.360 -2.412 1.00 0.00 N ATOM 483 CA ARG A 36 -1.363 -20.067 -2.880 1.00 0.00 C ATOM 484 C ARG A 36 -0.378 -19.463 -1.883 1.00 0.00 C ATOM 485 O ARG A 36 -0.662 -19.380 -0.688 1.00 0.00 O ATOM 486 CB ARG A 36 -2.535 -19.108 -3.100 1.00 0.00 C ATOM 487 CG ARG A 36 -3.328 -18.815 -1.837 1.00 0.00 C ATOM 488 CD ARG A 36 -4.788 -18.525 -2.150 1.00 0.00 C ATOM 489 NE ARG A 36 -5.648 -18.727 -0.988 1.00 0.00 N ATOM 490 CZ ARG A 36 -5.991 -17.755 -0.150 1.00 0.00 C ATOM 491 NH1 ARG A 36 -5.550 -16.520 -0.345 1.00 0.00 N ATOM 492 NH2 ARG A 36 -6.778 -18.018 0.886 1.00 0.00 N ATOM 0 H ARG A 36 -1.922 -21.441 -1.398 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.846 -20.222 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.155 -18.170 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.204 -19.531 -3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.262 -19.666 -1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.889 -17.961 -1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.886 -17.497 -2.499 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.120 -19.171 -2.963 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.005 -19.666 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.946 -16.314 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.815 -15.776 0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.120 -18.967 1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.041 -17.271 1.529 1.00 0.00 H new ATOM 506 N ILE A 37 0.779 -19.043 -2.384 1.00 0.00 N ATOM 507 CA ILE A 37 1.805 -18.446 -1.537 1.00 0.00 C ATOM 508 C ILE A 37 1.630 -16.934 -1.445 1.00 0.00 C ATOM 509 O ILE A 37 1.293 -16.275 -2.429 1.00 0.00 O ATOM 510 CB ILE A 37 3.218 -18.757 -2.063 1.00 0.00 C ATOM 511 CG1 ILE A 37 4.275 -18.211 -1.100 1.00 0.00 C ATOM 512 CG2 ILE A 37 3.408 -18.170 -3.454 1.00 0.00 C ATOM 513 CD1 ILE A 37 5.624 -18.881 -1.241 1.00 0.00 C ATOM 0 H ILE A 37 1.029 -19.105 -3.371 1.00 0.00 H new ATOM 0 HA ILE A 37 1.691 -18.883 -0.545 1.00 0.00 H new ATOM 0 HB ILE A 37 3.335 -19.839 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.391 -17.140 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.922 -18.336 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.412 -18.399 -3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.674 -18.601 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.275 -17.089 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.323 -18.444 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.523 -19.948 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.999 -18.734 -2.254 1.00 0.00 H new ATOM 525 N LYS A 38 1.862 -16.389 -0.255 1.00 0.00 N ATOM 526 CA LYS A 38 1.734 -14.954 -0.033 1.00 0.00 C ATOM 527 C LYS A 38 3.015 -14.225 -0.427 1.00 0.00 C ATOM 528 O LYS A 38 4.070 -14.842 -0.582 1.00 0.00 O ATOM 529 CB LYS A 38 1.406 -14.672 1.435 1.00 0.00 C ATOM 530 CG LYS A 38 -0.067 -14.827 1.770 1.00 0.00 C ATOM 531 CD LYS A 38 -0.877 -13.635 1.287 1.00 0.00 C ATOM 532 CE LYS A 38 -0.740 -12.449 2.229 1.00 0.00 C ATOM 533 NZ LYS A 38 -1.601 -11.308 1.813 1.00 0.00 N ATOM 0 H LYS A 38 2.140 -16.920 0.570 1.00 0.00 H new ATOM 0 HA LYS A 38 0.921 -14.586 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.986 -15.347 2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.721 -13.658 1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.451 -15.739 1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.186 -14.937 2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.545 -13.349 0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.927 -13.916 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.007 -12.756 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.301 -12.127 2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.479 -10.520 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.330 -10.998 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.597 -11.608 1.810 1.00 0.00 H new ATOM 547 N LYS A 39 2.917 -12.910 -0.587 1.00 0.00 N ATOM 548 CA LYS A 39 4.068 -12.096 -0.961 1.00 0.00 C ATOM 549 C LYS A 39 3.861 -10.641 -0.554 1.00 0.00 C ATOM 550 O LYS A 39 2.908 -9.995 -0.989 1.00 0.00 O ATOM 551 CB LYS A 39 4.313 -12.185 -2.469 1.00 0.00 C ATOM 552 CG LYS A 39 5.773 -12.024 -2.858 1.00 0.00 C ATOM 553 CD LYS A 39 5.967 -12.158 -4.359 1.00 0.00 C ATOM 554 CE LYS A 39 5.998 -13.616 -4.790 1.00 0.00 C ATOM 555 NZ LYS A 39 7.200 -14.323 -4.267 1.00 0.00 N ATOM 0 H LYS A 39 2.052 -12.384 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 39 4.941 -12.482 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.953 -13.148 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.725 -11.416 -2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.133 -11.049 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.373 -12.775 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.160 -11.641 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.898 -11.671 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.098 -14.119 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.988 -13.673 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.383 -15.170 -4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.023 -13.689 -4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.035 -14.605 -3.280 1.00 0.00 H new ATOM 569 N SER A 40 4.760 -10.131 0.282 1.00 0.00 N ATOM 570 CA SER A 40 4.674 -8.753 0.750 1.00 0.00 C ATOM 571 C SER A 40 5.505 -7.827 -0.133 1.00 0.00 C ATOM 572 O SER A 40 6.703 -8.039 -0.321 1.00 0.00 O ATOM 573 CB SER A 40 5.147 -8.654 2.201 1.00 0.00 C ATOM 574 OG SER A 40 4.731 -7.435 2.791 1.00 0.00 O ATOM 0 H SER A 40 5.556 -10.652 0.649 1.00 0.00 H new ATOM 0 HA SER A 40 3.631 -8.441 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.751 -9.493 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.234 -8.727 2.238 1.00 0.00 H new ATOM 0 HG SER A 40 5.044 -7.397 3.719 1.00 0.00 H new ATOM 580 N THR A 41 4.860 -6.797 -0.673 1.00 0.00 N ATOM 581 CA THR A 41 5.538 -5.839 -1.536 1.00 0.00 C ATOM 582 C THR A 41 5.044 -4.420 -1.277 1.00 0.00 C ATOM 583 O THR A 41 4.117 -4.208 -0.496 1.00 0.00 O ATOM 584 CB THR A 41 5.330 -6.179 -3.024 1.00 0.00 C ATOM 585 OG1 THR A 41 3.930 -6.271 -3.315 1.00 0.00 O ATOM 586 CG2 THR A 41 6.014 -7.489 -3.381 1.00 0.00 C ATOM 0 H THR A 41 3.869 -6.606 -0.527 1.00 0.00 H new ATOM 0 HA THR A 41 6.601 -5.899 -1.302 1.00 0.00 H new ATOM 0 HB THR A 41 5.773 -5.382 -3.621 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.806 -6.486 -4.263 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.853 -7.708 -4.437 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.083 -7.406 -3.187 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.597 -8.294 -2.776 1.00 0.00 H new ATOM 594 N GLY A 42 5.669 -3.451 -1.938 1.00 0.00 N ATOM 595 CA GLY A 42 5.279 -2.064 -1.765 1.00 0.00 C ATOM 596 C GLY A 42 5.701 -1.506 -0.421 1.00 0.00 C ATOM 597 O GLY A 42 5.240 -1.969 0.623 1.00 0.00 O ATOM 0 H GLY A 42 6.439 -3.602 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.722 -1.464 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.197 -1.979 -1.867 1.00 0.00 H new ATOM 601 N ILE A 43 6.579 -0.509 -0.445 1.00 0.00 N ATOM 602 CA ILE A 43 7.063 0.112 0.782 1.00 0.00 C ATOM 603 C ILE A 43 6.021 1.059 1.367 1.00 0.00 C ATOM 604 O ILE A 43 5.194 1.628 0.654 1.00 0.00 O ATOM 605 CB ILE A 43 8.371 0.890 0.542 1.00 0.00 C ATOM 606 CG1 ILE A 43 8.157 1.974 -0.517 1.00 0.00 C ATOM 607 CG2 ILE A 43 9.481 -0.060 0.118 1.00 0.00 C ATOM 608 CD1 ILE A 43 7.724 3.304 0.059 1.00 0.00 C ATOM 0 H ILE A 43 6.970 -0.114 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 43 7.255 -0.695 1.489 1.00 0.00 H new ATOM 0 HB ILE A 43 8.667 1.372 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.083 2.113 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.404 1.633 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.399 0.504 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.646 -0.799 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.194 -0.566 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.591 4.024 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.782 3.180 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.486 3.668 0.748 1.00 0.00 H new ATOM 620 N PRO A 44 6.062 1.236 2.696 1.00 0.00 N ATOM 621 CA PRO A 44 5.129 2.116 3.406 1.00 0.00 C ATOM 622 C PRO A 44 5.380 3.590 3.105 1.00 0.00 C ATOM 623 O PRO A 44 4.448 4.342 2.820 1.00 0.00 O ATOM 624 CB PRO A 44 5.412 1.816 4.881 1.00 0.00 C ATOM 625 CG PRO A 44 6.817 1.323 4.904 1.00 0.00 C ATOM 626 CD PRO A 44 7.021 0.589 3.607 1.00 0.00 C ATOM 0 HA PRO A 44 4.095 1.937 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.295 2.708 5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.723 1.067 5.272 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.519 2.151 4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.985 0.664 5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.045 0.686 3.247 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.819 -0.477 3.712 1.00 0.00 H new ATOM 634 N ARG A 45 6.644 3.995 3.169 1.00 0.00 N ATOM 635 CA ARG A 45 7.016 5.380 2.903 1.00 0.00 C ATOM 636 C ARG A 45 8.482 5.479 2.489 1.00 0.00 C ATOM 637 O ARG A 45 9.373 5.035 3.213 1.00 0.00 O ATOM 638 CB ARG A 45 6.765 6.244 4.140 1.00 0.00 C ATOM 639 CG ARG A 45 7.453 5.727 5.394 1.00 0.00 C ATOM 640 CD ARG A 45 7.101 6.570 6.610 1.00 0.00 C ATOM 641 NE ARG A 45 7.982 7.727 6.747 1.00 0.00 N ATOM 642 CZ ARG A 45 8.052 8.472 7.844 1.00 0.00 C ATOM 643 NH1 ARG A 45 7.297 8.182 8.895 1.00 0.00 N ATOM 644 NH2 ARG A 45 8.878 9.509 7.893 1.00 0.00 N ATOM 0 H ARG A 45 7.427 3.385 3.402 1.00 0.00 H new ATOM 0 HA ARG A 45 6.399 5.745 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.108 7.259 3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.692 6.301 4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.160 4.692 5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.533 5.732 5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.068 6.908 6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.167 5.956 7.508 1.00 0.00 H new ATOM 0 HE ARG A 45 8.576 7.976 5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.661 7.385 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.352 8.756 9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.461 9.735 7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.930 10.080 8.737 1.00 0.00 H new ATOM 658 N SER A 46 8.722 6.063 1.320 1.00 0.00 N ATOM 659 CA SER A 46 10.079 6.216 0.807 1.00 0.00 C ATOM 660 C SER A 46 10.946 6.996 1.790 1.00 0.00 C ATOM 661 O SER A 46 10.729 8.187 2.019 1.00 0.00 O ATOM 662 CB SER A 46 10.057 6.928 -0.547 1.00 0.00 C ATOM 663 OG SER A 46 9.577 8.255 -0.419 1.00 0.00 O ATOM 0 H SER A 46 7.995 6.438 0.710 1.00 0.00 H new ATOM 0 HA SER A 46 10.508 5.222 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 46 11.061 6.941 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.425 6.375 -1.242 1.00 0.00 H new ATOM 0 HG SER A 46 9.763 8.585 0.485 1.00 0.00 H new ATOM 669 N PHE A 47 11.931 6.317 2.369 1.00 0.00 N ATOM 670 CA PHE A 47 12.831 6.944 3.329 1.00 0.00 C ATOM 671 C PHE A 47 14.111 7.416 2.645 1.00 0.00 C ATOM 672 O PHE A 47 15.109 7.706 3.305 1.00 0.00 O ATOM 673 CB PHE A 47 13.172 5.967 4.456 1.00 0.00 C ATOM 674 CG PHE A 47 14.148 6.519 5.454 1.00 0.00 C ATOM 675 CD1 PHE A 47 13.852 7.668 6.170 1.00 0.00 C ATOM 676 CD2 PHE A 47 15.362 5.890 5.678 1.00 0.00 C ATOM 677 CE1 PHE A 47 14.749 8.179 7.089 1.00 0.00 C ATOM 678 CE2 PHE A 47 16.263 6.396 6.596 1.00 0.00 C ATOM 679 CZ PHE A 47 15.955 7.542 7.303 1.00 0.00 C ATOM 0 H PHE A 47 12.126 5.332 2.190 1.00 0.00 H new ATOM 0 HA PHE A 47 12.324 7.811 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 47 12.254 5.688 4.974 1.00 0.00 H new ATOM 0 HB3 PHE A 47 13.584 5.055 4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.910 8.170 6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 47 15.607 4.993 5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.507 9.076 7.639 1.00 0.00 H new ATOM 0 HE2 PHE A 47 17.206 5.896 6.760 1.00 0.00 H new ATOM 0 HZ PHE A 47 16.656 7.939 8.022 1.00 0.00 H new ATOM 689 N MET A 48 14.074 7.490 1.319 1.00 0.00 N ATOM 690 CA MET A 48 15.231 7.927 0.545 1.00 0.00 C ATOM 691 C MET A 48 15.476 9.420 0.732 1.00 0.00 C ATOM 692 O MET A 48 14.565 10.170 1.081 1.00 0.00 O ATOM 693 CB MET A 48 15.027 7.613 -0.938 1.00 0.00 C ATOM 694 CG MET A 48 16.326 7.394 -1.697 1.00 0.00 C ATOM 695 SD MET A 48 17.215 5.926 -1.144 1.00 0.00 S ATOM 696 CE MET A 48 16.486 4.673 -2.197 1.00 0.00 C ATOM 0 H MET A 48 13.256 7.253 0.758 1.00 0.00 H new ATOM 0 HA MET A 48 16.105 7.385 0.906 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.407 6.721 -1.030 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.478 8.432 -1.402 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.109 7.303 -2.761 1.00 0.00 H new ATOM 0 HG3 MET A 48 16.965 8.268 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.934 3.705 -1.974 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.412 4.626 -2.017 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.668 4.925 -3.242 1.00 0.00 H new ATOM 706 N MET A 49 16.713 9.846 0.498 1.00 0.00 N ATOM 707 CA MET A 49 17.078 11.251 0.640 1.00 0.00 C ATOM 708 C MET A 49 17.833 11.743 -0.590 1.00 0.00 C ATOM 709 O MET A 49 18.825 11.142 -1.002 1.00 0.00 O ATOM 710 CB MET A 49 17.932 11.455 1.893 1.00 0.00 C ATOM 711 CG MET A 49 18.150 12.916 2.248 1.00 0.00 C ATOM 712 SD MET A 49 18.447 13.166 4.009 1.00 0.00 S ATOM 713 CE MET A 49 16.949 14.024 4.486 1.00 0.00 C ATOM 0 H MET A 49 17.480 9.238 0.209 1.00 0.00 H new ATOM 0 HA MET A 49 16.160 11.831 0.737 1.00 0.00 H new ATOM 0 HB2 MET A 49 17.454 10.953 2.734 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.900 10.977 1.745 1.00 0.00 H new ATOM 0 HG2 MET A 49 18.999 13.301 1.682 1.00 0.00 H new ATOM 0 HG3 MET A 49 17.277 13.494 1.945 1.00 0.00 H new ATOM 0 HE1 MET A 49 16.982 14.249 5.552 1.00 0.00 H new ATOM 0 HE2 MET A 49 16.866 14.953 3.922 1.00 0.00 H new ATOM 0 HE3 MET A 49 16.085 13.393 4.275 1.00 0.00 H new ATOM 723 N GLU A 50 17.357 12.840 -1.172 1.00 0.00 N ATOM 724 CA GLU A 50 17.989 13.411 -2.356 1.00 0.00 C ATOM 725 C GLU A 50 19.117 14.362 -1.966 1.00 0.00 C ATOM 726 O GLU A 50 19.554 15.186 -2.768 1.00 0.00 O ATOM 727 CB GLU A 50 16.954 14.152 -3.206 1.00 0.00 C ATOM 728 CG GLU A 50 16.455 15.439 -2.572 1.00 0.00 C ATOM 729 CD GLU A 50 15.512 15.191 -1.411 1.00 0.00 C ATOM 730 OE1 GLU A 50 14.750 14.202 -1.467 1.00 0.00 O ATOM 731 OE2 GLU A 50 15.536 15.983 -0.446 1.00 0.00 O ATOM 0 H GLU A 50 16.537 13.350 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 50 18.412 12.594 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.391 14.381 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.105 13.493 -3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.308 16.022 -2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 50 15.946 16.038 -3.327 1.00 0.00 H new ATOM 738 N VAL A 51 19.583 14.240 -0.727 1.00 0.00 N ATOM 739 CA VAL A 51 20.661 15.087 -0.229 1.00 0.00 C ATOM 740 C VAL A 51 21.941 14.874 -1.029 1.00 0.00 C ATOM 741 O VAL A 51 22.417 13.748 -1.173 1.00 0.00 O ATOM 742 CB VAL A 51 20.947 14.814 1.259 1.00 0.00 C ATOM 743 CG1 VAL A 51 21.378 13.370 1.465 1.00 0.00 C ATOM 744 CG2 VAL A 51 22.004 15.774 1.783 1.00 0.00 C ATOM 0 H VAL A 51 19.231 13.563 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 51 20.332 16.120 -0.344 1.00 0.00 H new ATOM 0 HB VAL A 51 20.029 14.977 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 51 21.576 13.197 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 51 20.584 12.702 1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.283 13.175 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 51 22.194 15.567 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 51 22.926 15.645 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 51 21.651 16.799 1.673 1.00 0.00 H new ATOM 754 N LYS A 52 22.496 15.964 -1.547 1.00 0.00 N ATOM 755 CA LYS A 52 23.724 15.899 -2.332 1.00 0.00 C ATOM 756 C LYS A 52 24.769 16.868 -1.788 1.00 0.00 C ATOM 757 O LYS A 52 24.435 17.955 -1.315 1.00 0.00 O ATOM 758 CB LYS A 52 23.433 16.218 -3.800 1.00 0.00 C ATOM 759 CG LYS A 52 22.548 15.188 -4.482 1.00 0.00 C ATOM 760 CD LYS A 52 23.324 13.929 -4.829 1.00 0.00 C ATOM 761 CE LYS A 52 24.074 14.081 -6.143 1.00 0.00 C ATOM 762 NZ LYS A 52 23.177 13.902 -7.318 1.00 0.00 N ATOM 0 H LYS A 52 22.115 16.904 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 52 24.120 14.886 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 52 22.954 17.195 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.376 16.290 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 52 21.714 14.934 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 52 22.123 15.616 -5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.030 13.704 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 52 22.638 13.084 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.536 15.068 -6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 52 24.881 13.349 -6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.726 14.013 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.756 12.951 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.422 14.616 -7.290 1.00 0.00 H new ATOM 776 N ASP A 53 26.034 16.469 -1.860 1.00 0.00 N ATOM 777 CA ASP A 53 27.128 17.303 -1.377 1.00 0.00 C ATOM 778 C ASP A 53 27.778 18.066 -2.528 1.00 0.00 C ATOM 779 O ASP A 53 28.056 17.514 -3.592 1.00 0.00 O ATOM 780 CB ASP A 53 28.174 16.446 -0.662 1.00 0.00 C ATOM 781 CG ASP A 53 28.448 15.143 -1.386 1.00 0.00 C ATOM 782 OD1 ASP A 53 27.518 14.317 -1.493 1.00 0.00 O ATOM 783 OD2 ASP A 53 29.594 14.949 -1.845 1.00 0.00 O ATOM 0 H ASP A 53 26.327 15.573 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 53 26.718 18.025 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 53 29.102 17.010 -0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 53 27.833 16.231 0.351 1.00 0.00 H new ATOM 788 N PRO A 54 28.025 19.366 -2.311 1.00 0.00 N ATOM 789 CA PRO A 54 28.644 20.233 -3.318 1.00 0.00 C ATOM 790 C PRO A 54 30.112 19.892 -3.553 1.00 0.00 C ATOM 791 O PRO A 54 30.545 19.721 -4.691 1.00 0.00 O ATOM 792 CB PRO A 54 28.510 21.632 -2.713 1.00 0.00 C ATOM 793 CG PRO A 54 28.431 21.403 -1.243 1.00 0.00 C ATOM 794 CD PRO A 54 27.719 20.091 -1.066 1.00 0.00 C ATOM 0 HA PRO A 54 28.169 20.129 -4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 54 29.364 22.258 -2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 54 27.619 22.140 -3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 54 29.426 21.370 -0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 54 27.889 22.211 -0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 54 28.079 19.553 -0.189 1.00 0.00 H new ATOM 0 HD3 PRO A 54 26.646 20.231 -0.936 1.00 0.00 H new ATOM 802 N ASN A 55 30.873 19.796 -2.467 1.00 0.00 N ATOM 803 CA ASN A 55 32.293 19.475 -2.555 1.00 0.00 C ATOM 804 C ASN A 55 32.799 18.880 -1.245 1.00 0.00 C ATOM 805 O ASN A 55 32.093 18.950 -0.239 1.00 0.00 O ATOM 806 CB ASN A 55 33.099 20.728 -2.904 1.00 0.00 C ATOM 807 CG ASN A 55 33.127 21.732 -1.768 1.00 0.00 C ATOM 808 OD1 ASN A 55 33.905 21.434 -0.734 1.00 0.00 O flip ATOM 809 ND2 ASN A 55 32.457 22.764 -1.819 1.00 0.00 N flip ATOM 0 H ASN A 55 30.530 19.936 -1.517 1.00 0.00 H new ATOM 0 HA ASN A 55 32.424 18.734 -3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 55 34.120 20.441 -3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 55 32.671 21.197 -3.790 1.00 0.00 H new ATOM 0 HD21 ASN A 55 31.873 22.953 -2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 55 32.486 23.430 -1.047 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -10.937 -10.894 -8.690 1.00 0.00 ZN