USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 266 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 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 17 TYR OH : rot 180:sc= -0.0201 USER MOD Set 1.2: A 19 SER OG : rot -132:sc= 0.717 USER MOD Set 1.3: A 24 ASN : amide:sc= 0.101 K(o=0.8,f=-0.28) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0369 (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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0.894 (180deg=0.882) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.738 K(o=0.74,f=-6.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0037 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.420 -12.342 -8.018 1.00 0.00 N ATOM 2 CA GLY A 1 -7.235 -11.237 -7.468 1.00 0.00 C ATOM 3 C GLY A 1 -6.502 -9.904 -7.536 1.00 0.00 C ATOM 4 O GLY A 1 -5.269 -9.866 -7.544 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.803 -12.630 -8.941 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.437 -12.023 -8.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.446 -13.151 -7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.171 -11.165 -8.022 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.494 -11.457 -6.432 1.00 0.00 H new ATOM 10 N SER A 2 -7.250 -8.798 -7.581 1.00 0.00 N ATOM 11 CA SER A 2 -6.712 -7.428 -7.673 1.00 0.00 C ATOM 12 C SER A 2 -5.967 -6.988 -6.402 1.00 0.00 C ATOM 13 O SER A 2 -6.317 -7.391 -5.288 1.00 0.00 O ATOM 14 CB SER A 2 -7.840 -6.430 -7.972 1.00 0.00 C ATOM 15 OG SER A 2 -8.526 -6.797 -9.160 1.00 0.00 O ATOM 0 H SER A 2 -8.269 -8.825 -7.554 1.00 0.00 H new ATOM 0 HA SER A 2 -5.989 -7.436 -8.489 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.539 -6.400 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.427 -5.427 -8.078 1.00 0.00 H new ATOM 0 HG SER A 2 -9.243 -6.152 -9.336 1.00 0.00 H new ATOM 21 N SER A 3 -4.962 -6.119 -6.555 1.00 0.00 N ATOM 22 CA SER A 3 -4.092 -5.645 -5.459 1.00 0.00 C ATOM 23 C SER A 3 -4.772 -4.671 -4.480 1.00 0.00 C ATOM 24 O SER A 3 -4.250 -4.425 -3.390 1.00 0.00 O ATOM 25 CB SER A 3 -2.839 -4.975 -6.041 1.00 0.00 C ATOM 26 OG SER A 3 -2.193 -5.836 -6.968 1.00 0.00 O ATOM 0 H SER A 3 -4.721 -5.714 -7.460 1.00 0.00 H new ATOM 0 HA SER A 3 -3.837 -6.534 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.115 -4.043 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.151 -4.718 -5.236 1.00 0.00 H new ATOM 0 HG SER A 3 -1.398 -5.391 -7.329 1.00 0.00 H new ATOM 32 N GLY A 4 -5.923 -4.103 -4.850 1.00 0.00 N ATOM 33 CA GLY A 4 -6.681 -3.151 -4.036 1.00 0.00 C ATOM 34 C GLY A 4 -7.928 -2.601 -4.740 1.00 0.00 C ATOM 35 O GLY A 4 -8.206 -2.936 -5.896 1.00 0.00 O ATOM 0 H GLY A 4 -6.365 -4.298 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.982 -3.637 -3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.031 -2.320 -3.764 1.00 0.00 H new ATOM 39 N SER A 5 -8.658 -1.735 -4.033 1.00 0.00 N ATOM 40 CA SER A 5 -9.860 -1.028 -4.509 1.00 0.00 C ATOM 41 C SER A 5 -9.793 0.455 -4.129 1.00 0.00 C ATOM 42 O SER A 5 -9.322 0.796 -3.041 1.00 0.00 O ATOM 43 CB SER A 5 -11.134 -1.652 -3.918 1.00 0.00 C ATOM 44 OG SER A 5 -11.266 -3.013 -4.303 1.00 0.00 O ATOM 0 H SER A 5 -8.421 -1.494 -3.071 1.00 0.00 H new ATOM 0 HA SER A 5 -9.895 -1.121 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.107 -1.580 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.006 -1.090 -4.253 1.00 0.00 H new ATOM 0 HG SER A 5 -12.084 -3.386 -3.912 1.00 0.00 H new ATOM 50 N SER A 6 -10.286 1.344 -4.995 1.00 0.00 N ATOM 51 CA SER A 6 -10.104 2.805 -4.882 1.00 0.00 C ATOM 52 C SER A 6 -10.681 3.436 -3.606 1.00 0.00 C ATOM 53 O SER A 6 -10.199 4.487 -3.174 1.00 0.00 O ATOM 54 CB SER A 6 -10.726 3.495 -6.104 1.00 0.00 C ATOM 55 OG SER A 6 -10.203 2.947 -7.306 1.00 0.00 O ATOM 0 H SER A 6 -10.833 1.070 -5.811 1.00 0.00 H new ATOM 0 HA SER A 6 -9.026 2.959 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.809 3.375 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.523 4.565 -6.067 1.00 0.00 H new ATOM 0 HG SER A 6 -10.611 3.397 -8.075 1.00 0.00 H new ATOM 61 N GLY A 7 -11.683 2.802 -2.983 1.00 0.00 N ATOM 62 CA GLY A 7 -12.314 3.252 -1.732 1.00 0.00 C ATOM 63 C GLY A 7 -11.457 3.072 -0.467 1.00 0.00 C ATOM 64 O GLY A 7 -11.720 3.730 0.542 1.00 0.00 O ATOM 0 H GLY A 7 -12.089 1.939 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.570 4.307 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.249 2.708 -1.599 1.00 0.00 H new ATOM 68 N LYS A 8 -10.413 2.230 -0.510 1.00 0.00 N ATOM 69 CA LYS A 8 -9.394 2.126 0.553 1.00 0.00 C ATOM 70 C LYS A 8 -8.451 3.343 0.474 1.00 0.00 C ATOM 71 O LYS A 8 -7.986 3.660 -0.622 1.00 0.00 O ATOM 72 CB LYS A 8 -8.636 0.796 0.417 1.00 0.00 C ATOM 73 CG LYS A 8 -9.465 -0.379 0.954 1.00 0.00 C ATOM 74 CD LYS A 8 -8.769 -1.722 0.696 1.00 0.00 C ATOM 75 CE LYS A 8 -9.617 -2.869 1.263 1.00 0.00 C ATOM 76 NZ LYS A 8 -8.987 -4.194 1.018 1.00 0.00 N ATOM 0 H LYS A 8 -10.248 1.594 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.867 2.132 1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.390 0.621 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.693 0.856 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.628 -0.252 2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.447 -0.380 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.619 -1.864 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.782 -1.725 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.754 -2.724 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.608 -2.848 0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.589 -4.943 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.879 -4.343 -0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.052 -4.223 1.473 1.00 0.00 H new ATOM 90 N PRO A 9 -8.162 4.046 1.587 1.00 0.00 N ATOM 91 CA PRO A 9 -7.463 5.332 1.540 1.00 0.00 C ATOM 92 C PRO A 9 -5.950 5.202 1.337 1.00 0.00 C ATOM 93 O PRO A 9 -5.365 6.006 0.609 1.00 0.00 O ATOM 94 CB PRO A 9 -7.787 6.015 2.871 1.00 0.00 C ATOM 95 CG PRO A 9 -8.020 4.850 3.829 1.00 0.00 C ATOM 96 CD PRO A 9 -8.596 3.749 2.944 1.00 0.00 C ATOM 0 HA PRO A 9 -7.797 5.911 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.967 6.650 3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.669 6.650 2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.092 4.534 4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.711 5.122 4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.239 2.769 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.684 3.728 3.008 1.00 0.00 H new ATOM 104 N TYR A 10 -5.309 4.205 1.955 1.00 0.00 N ATOM 105 CA TYR A 10 -3.854 4.068 1.935 1.00 0.00 C ATOM 106 C TYR A 10 -3.402 3.327 0.669 1.00 0.00 C ATOM 107 O TYR A 10 -3.380 2.097 0.622 1.00 0.00 O ATOM 108 CB TYR A 10 -3.367 3.405 3.229 1.00 0.00 C ATOM 109 CG TYR A 10 -3.795 4.137 4.484 1.00 0.00 C ATOM 110 CD1 TYR A 10 -3.124 5.309 4.881 1.00 0.00 C ATOM 111 CD2 TYR A 10 -4.906 3.681 5.218 1.00 0.00 C ATOM 112 CE1 TYR A 10 -3.563 6.026 6.012 1.00 0.00 C ATOM 113 CE2 TYR A 10 -5.336 4.382 6.357 1.00 0.00 C ATOM 114 CZ TYR A 10 -4.667 5.558 6.760 1.00 0.00 C ATOM 115 OH TYR A 10 -5.101 6.240 7.855 1.00 0.00 O ATOM 0 H TYR A 10 -5.785 3.473 2.482 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.393 5.055 1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.744 2.383 3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.279 3.343 3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.271 5.659 4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.429 2.790 4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.056 6.933 6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.180 4.020 6.925 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.870 5.775 8.246 1.00 0.00 H new ATOM 125 N LYS A 11 -3.064 4.094 -0.371 1.00 0.00 N ATOM 126 CA LYS A 11 -2.759 3.615 -1.731 1.00 0.00 C ATOM 127 C LYS A 11 -1.290 3.815 -2.108 1.00 0.00 C ATOM 128 O LYS A 11 -0.686 4.832 -1.758 1.00 0.00 O ATOM 129 CB LYS A 11 -3.714 4.295 -2.730 1.00 0.00 C ATOM 130 CG LYS A 11 -5.098 3.629 -2.676 1.00 0.00 C ATOM 131 CD LYS A 11 -6.218 4.395 -3.394 1.00 0.00 C ATOM 132 CE LYS A 11 -6.605 5.667 -2.631 1.00 0.00 C ATOM 133 NZ LYS A 11 -7.883 6.238 -3.131 1.00 0.00 N ATOM 0 H LYS A 11 -2.991 5.108 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.919 2.537 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.803 5.356 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.307 4.225 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.022 2.633 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.380 3.498 -1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.893 4.658 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.092 3.752 -3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.698 5.441 -1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.811 6.407 -2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.157 7.047 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.761 6.555 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.627 5.512 -3.091 1.00 0.00 H new ATOM 147 N CYS A 12 -0.729 2.849 -2.838 1.00 0.00 N ATOM 148 CA CYS A 12 0.652 2.884 -3.317 1.00 0.00 C ATOM 149 C CYS A 12 0.843 3.958 -4.418 1.00 0.00 C ATOM 150 O CYS A 12 -0.006 4.083 -5.309 1.00 0.00 O ATOM 151 CB CYS A 12 1.038 1.472 -3.777 1.00 0.00 C ATOM 152 SG CYS A 12 2.746 1.437 -4.394 1.00 0.00 S ATOM 0 H CYS A 12 -1.231 2.006 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 12 1.324 3.180 -2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.932 0.773 -2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.357 1.141 -4.561 1.00 0.00 H new ATOM 157 N PRO A 13 1.951 4.727 -4.395 1.00 0.00 N ATOM 158 CA PRO A 13 2.301 5.682 -5.446 1.00 0.00 C ATOM 159 C PRO A 13 2.812 5.009 -6.735 1.00 0.00 C ATOM 160 O PRO A 13 2.956 5.695 -7.751 1.00 0.00 O ATOM 161 CB PRO A 13 3.361 6.590 -4.808 1.00 0.00 C ATOM 162 CG PRO A 13 4.061 5.675 -3.806 1.00 0.00 C ATOM 163 CD PRO A 13 2.932 4.771 -3.323 1.00 0.00 C ATOM 0 HA PRO A 13 1.425 6.239 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.057 6.977 -5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.908 7.451 -4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.864 5.104 -4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.506 6.239 -2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.305 3.772 -3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.488 5.160 -2.407 1.00 0.00 H new ATOM 171 N GLN A 14 3.088 3.696 -6.721 1.00 0.00 N ATOM 172 CA GLN A 14 3.621 2.943 -7.871 1.00 0.00 C ATOM 173 C GLN A 14 2.719 1.786 -8.350 1.00 0.00 C ATOM 174 O GLN A 14 2.771 1.443 -9.535 1.00 0.00 O ATOM 175 CB GLN A 14 5.039 2.432 -7.551 1.00 0.00 C ATOM 176 CG GLN A 14 6.044 3.570 -7.292 1.00 0.00 C ATOM 177 CD GLN A 14 7.497 3.101 -7.163 1.00 0.00 C ATOM 178 OE1 GLN A 14 7.881 1.991 -7.512 1.00 0.00 O ATOM 179 NE2 GLN A 14 8.381 3.946 -6.674 1.00 0.00 N ATOM 0 H GLN A 14 2.945 3.115 -5.895 1.00 0.00 H new ATOM 0 HA GLN A 14 3.653 3.645 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.997 1.785 -6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.395 1.822 -8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.977 4.292 -8.106 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.759 4.092 -6.378 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.087 4.876 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.360 3.670 -6.593 1.00 0.00 H new ATOM 188 N CYS A 15 1.881 1.213 -7.475 1.00 0.00 N ATOM 189 CA CYS A 15 1.018 0.054 -7.776 1.00 0.00 C ATOM 190 C CYS A 15 -0.490 0.382 -7.703 1.00 0.00 C ATOM 191 O CYS A 15 -0.906 1.452 -7.255 1.00 0.00 O ATOM 192 CB CYS A 15 1.323 -1.108 -6.803 1.00 0.00 C ATOM 193 SG CYS A 15 3.097 -1.399 -6.516 1.00 0.00 S ATOM 0 H CYS A 15 1.779 1.547 -6.517 1.00 0.00 H new ATOM 0 HA CYS A 15 1.244 -0.233 -8.803 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.841 -0.902 -5.847 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.876 -2.021 -7.195 1.00 0.00 H new ATOM 198 N SER A 16 -1.317 -0.611 -8.059 1.00 0.00 N ATOM 199 CA SER A 16 -2.773 -0.621 -7.802 1.00 0.00 C ATOM 200 C SER A 16 -3.105 -1.106 -6.371 1.00 0.00 C ATOM 201 O SER A 16 -4.265 -1.357 -6.041 1.00 0.00 O ATOM 202 CB SER A 16 -3.503 -1.468 -8.853 1.00 0.00 C ATOM 203 OG SER A 16 -3.315 -0.935 -10.157 1.00 0.00 O ATOM 0 H SER A 16 -0.991 -1.448 -8.543 1.00 0.00 H new ATOM 0 HA SER A 16 -3.126 0.407 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.135 -2.493 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.567 -1.504 -8.621 1.00 0.00 H new ATOM 0 HG SER A 16 -3.788 -1.493 -10.810 1.00 0.00 H new ATOM 209 N TYR A 17 -2.084 -1.270 -5.518 1.00 0.00 N ATOM 210 CA TYR A 17 -2.192 -1.676 -4.115 1.00 0.00 C ATOM 211 C TYR A 17 -2.951 -0.639 -3.274 1.00 0.00 C ATOM 212 O TYR A 17 -2.656 0.559 -3.344 1.00 0.00 O ATOM 213 CB TYR A 17 -0.784 -1.919 -3.549 1.00 0.00 C ATOM 214 CG TYR A 17 -0.748 -2.233 -2.065 1.00 0.00 C ATOM 215 CD1 TYR A 17 -0.691 -1.186 -1.121 1.00 0.00 C ATOM 216 CD2 TYR A 17 -0.792 -3.571 -1.630 1.00 0.00 C ATOM 217 CE1 TYR A 17 -0.697 -1.477 0.254 1.00 0.00 C ATOM 218 CE2 TYR A 17 -0.771 -3.865 -0.253 1.00 0.00 C ATOM 219 CZ TYR A 17 -0.725 -2.815 0.689 1.00 0.00 C ATOM 220 OH TYR A 17 -0.707 -3.082 2.018 1.00 0.00 O ATOM 0 H TYR A 17 -1.117 -1.115 -5.803 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.769 -2.600 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.325 -2.744 -4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.174 -1.035 -3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.643 -0.160 -1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.842 -4.372 -2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.680 -0.674 0.976 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.790 -4.892 0.082 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.732 -4.052 2.157 1.00 0.00 H new ATOM 230 N ALA A 18 -3.893 -1.107 -2.451 1.00 0.00 N ATOM 231 CA ALA A 18 -4.635 -0.281 -1.501 1.00 0.00 C ATOM 232 C ALA A 18 -4.919 -1.015 -0.176 1.00 0.00 C ATOM 233 O ALA A 18 -5.188 -2.219 -0.167 1.00 0.00 O ATOM 234 CB ALA A 18 -5.930 0.200 -2.167 1.00 0.00 C ATOM 0 H ALA A 18 -4.165 -2.090 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.020 0.579 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.492 0.818 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.687 0.786 -3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.533 -0.661 -2.455 1.00 0.00 H new ATOM 240 N SER A 19 -4.914 -0.273 0.933 1.00 0.00 N ATOM 241 CA SER A 19 -5.143 -0.768 2.297 1.00 0.00 C ATOM 242 C SER A 19 -6.049 0.167 3.112 1.00 0.00 C ATOM 243 O SER A 19 -6.091 1.377 2.884 1.00 0.00 O ATOM 244 CB SER A 19 -3.793 -0.939 3.000 1.00 0.00 C ATOM 245 OG SER A 19 -3.990 -1.438 4.312 1.00 0.00 O ATOM 0 H SER A 19 -4.743 0.732 0.907 1.00 0.00 H new ATOM 0 HA SER A 19 -5.657 -1.727 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.162 -1.623 2.433 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.271 0.017 3.040 1.00 0.00 H new ATOM 0 HG SER A 19 -3.465 -0.907 4.946 1.00 0.00 H new ATOM 251 N ALA A 20 -6.754 -0.398 4.095 1.00 0.00 N ATOM 252 CA ALA A 20 -7.504 0.336 5.121 1.00 0.00 C ATOM 253 C ALA A 20 -6.636 0.719 6.349 1.00 0.00 C ATOM 254 O ALA A 20 -7.119 1.389 7.264 1.00 0.00 O ATOM 255 CB ALA A 20 -8.727 -0.506 5.503 1.00 0.00 C ATOM 0 H ALA A 20 -6.822 -1.410 4.204 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.829 1.293 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.304 0.016 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.349 -0.665 4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.398 -1.469 5.893 1.00 0.00 H new ATOM 261 N ILE A 21 -5.362 0.300 6.370 1.00 0.00 N ATOM 262 CA ILE A 21 -4.387 0.503 7.457 1.00 0.00 C ATOM 263 C ILE A 21 -3.075 1.076 6.890 1.00 0.00 C ATOM 264 O ILE A 21 -2.501 0.509 5.954 1.00 0.00 O ATOM 265 CB ILE A 21 -4.125 -0.828 8.212 1.00 0.00 C ATOM 266 CG1 ILE A 21 -5.433 -1.494 8.706 1.00 0.00 C ATOM 267 CG2 ILE A 21 -3.165 -0.594 9.398 1.00 0.00 C ATOM 268 CD1 ILE A 21 -5.220 -2.867 9.359 1.00 0.00 C ATOM 0 H ILE A 21 -4.961 -0.218 5.588 1.00 0.00 H new ATOM 0 HA ILE A 21 -4.800 1.218 8.168 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.662 -1.513 7.501 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.918 -0.832 9.423 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.114 -1.605 7.863 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.991 -1.537 9.917 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.217 -0.204 9.027 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.608 0.124 10.088 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.181 -3.270 9.679 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.763 -3.546 8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.564 -2.761 10.223 1.00 0.00 H new ATOM 280 N LYS A 22 -2.561 2.155 7.495 1.00 0.00 N ATOM 281 CA LYS A 22 -1.332 2.857 7.068 1.00 0.00 C ATOM 282 C LYS A 22 -0.066 2.001 7.184 1.00 0.00 C ATOM 283 O LYS A 22 0.783 2.027 6.297 1.00 0.00 O ATOM 284 CB LYS A 22 -1.196 4.154 7.890 1.00 0.00 C ATOM 285 CG LYS A 22 -0.138 5.106 7.309 1.00 0.00 C ATOM 286 CD LYS A 22 -0.084 6.418 8.104 1.00 0.00 C ATOM 287 CE LYS A 22 0.967 7.359 7.501 1.00 0.00 C ATOM 288 NZ LYS A 22 1.049 8.641 8.249 1.00 0.00 N ATOM 0 H LYS A 22 -2.995 2.578 8.315 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.430 3.084 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.159 4.663 7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.931 3.904 8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.840 4.624 7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.368 5.318 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.062 6.899 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.158 6.211 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.941 6.870 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.720 7.561 6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.769 9.252 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.126 9.119 8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.309 8.450 9.238 1.00 0.00 H new ATOM 302 N ALA A 23 0.054 1.209 8.250 1.00 0.00 N ATOM 303 CA ALA A 23 1.214 0.346 8.496 1.00 0.00 C ATOM 304 C ALA A 23 1.376 -0.774 7.446 1.00 0.00 C ATOM 305 O ALA A 23 2.497 -1.161 7.115 1.00 0.00 O ATOM 306 CB ALA A 23 1.081 -0.235 9.904 1.00 0.00 C ATOM 0 H ALA A 23 -0.659 1.147 8.977 1.00 0.00 H new ATOM 0 HA ALA A 23 2.117 0.950 8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.933 -0.882 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.055 0.576 10.631 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.160 -0.814 9.973 1.00 0.00 H new ATOM 312 N ASN A 24 0.270 -1.254 6.871 1.00 0.00 N ATOM 313 CA ASN A 24 0.285 -2.230 5.780 1.00 0.00 C ATOM 314 C ASN A 24 0.920 -1.621 4.507 1.00 0.00 C ATOM 315 O ASN A 24 1.806 -2.223 3.897 1.00 0.00 O ATOM 316 CB ASN A 24 -1.172 -2.664 5.559 1.00 0.00 C ATOM 317 CG ASN A 24 -1.365 -3.999 4.861 1.00 0.00 C ATOM 318 OD1 ASN A 24 -0.485 -4.846 4.776 1.00 0.00 O ATOM 319 ND2 ASN A 24 -2.563 -4.239 4.375 1.00 0.00 N ATOM 0 H ASN A 24 -0.669 -0.973 7.153 1.00 0.00 H new ATOM 0 HA ASN A 24 0.897 -3.098 6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.670 -2.707 6.528 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.676 -1.894 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.761 -5.133 3.926 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.294 -3.531 4.447 1.00 0.00 H new ATOM 326 N LEU A 25 0.555 -0.371 4.179 1.00 0.00 N ATOM 327 CA LEU A 25 1.176 0.405 3.101 1.00 0.00 C ATOM 328 C LEU A 25 2.647 0.728 3.410 1.00 0.00 C ATOM 329 O LEU A 25 3.486 0.635 2.519 1.00 0.00 O ATOM 330 CB LEU A 25 0.354 1.686 2.850 1.00 0.00 C ATOM 331 CG LEU A 25 0.969 2.605 1.776 1.00 0.00 C ATOM 332 CD1 LEU A 25 1.009 1.925 0.408 1.00 0.00 C ATOM 333 CD2 LEU A 25 0.179 3.903 1.648 1.00 0.00 C ATOM 0 H LEU A 25 -0.189 0.132 4.663 1.00 0.00 H new ATOM 0 HA LEU A 25 1.176 -0.196 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.655 1.408 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.264 2.240 3.784 1.00 0.00 H new ATOM 0 HG LEU A 25 1.987 2.822 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.449 2.604 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.611 1.018 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.004 1.667 0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.635 4.532 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.849 3.677 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.186 4.429 2.603 1.00 0.00 H new ATOM 345 N ASN A 26 2.985 1.058 4.658 1.00 0.00 N ATOM 346 CA ASN A 26 4.368 1.291 5.091 1.00 0.00 C ATOM 347 C ASN A 26 5.255 0.068 4.780 1.00 0.00 C ATOM 348 O ASN A 26 6.279 0.213 4.114 1.00 0.00 O ATOM 349 CB ASN A 26 4.333 1.690 6.579 1.00 0.00 C ATOM 350 CG ASN A 26 5.673 2.051 7.202 1.00 0.00 C ATOM 351 OD1 ASN A 26 6.702 1.434 6.972 1.00 0.00 O ATOM 352 ND2 ASN A 26 5.691 3.015 8.093 1.00 0.00 N ATOM 0 H ASN A 26 2.301 1.173 5.406 1.00 0.00 H new ATOM 0 HA ASN A 26 4.828 2.109 4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.661 2.541 6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.901 0.866 7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.557 3.240 8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.839 3.539 8.295 1.00 0.00 H new ATOM 359 N VAL A 27 4.820 -1.149 5.135 1.00 0.00 N ATOM 360 CA VAL A 27 5.525 -2.398 4.780 1.00 0.00 C ATOM 361 C VAL A 27 5.604 -2.604 3.263 1.00 0.00 C ATOM 362 O VAL A 27 6.657 -2.995 2.756 1.00 0.00 O ATOM 363 CB VAL A 27 4.872 -3.611 5.469 1.00 0.00 C ATOM 364 CG1 VAL A 27 5.452 -4.955 5.006 1.00 0.00 C ATOM 365 CG2 VAL A 27 5.080 -3.531 6.986 1.00 0.00 C ATOM 0 H VAL A 27 3.969 -1.300 5.677 1.00 0.00 H new ATOM 0 HA VAL A 27 6.548 -2.306 5.144 1.00 0.00 H new ATOM 0 HB VAL A 27 3.817 -3.571 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.949 -5.768 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.301 -5.066 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.519 -4.986 5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.614 -4.393 7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.147 -3.526 7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.626 -2.616 7.368 1.00 0.00 H new ATOM 375 N HIS A 28 4.539 -2.296 2.518 1.00 0.00 N ATOM 376 CA HIS A 28 4.544 -2.386 1.054 1.00 0.00 C ATOM 377 C HIS A 28 5.565 -1.424 0.409 1.00 0.00 C ATOM 378 O HIS A 28 6.273 -1.794 -0.529 1.00 0.00 O ATOM 379 CB HIS A 28 3.119 -2.137 0.534 1.00 0.00 C ATOM 380 CG HIS A 28 3.012 -2.192 -0.969 1.00 0.00 C ATOM 381 ND1 HIS A 28 2.813 -3.315 -1.735 1.00 0.00 N ATOM 382 CD2 HIS A 28 3.136 -1.135 -1.828 1.00 0.00 C ATOM 383 CE1 HIS A 28 2.826 -2.955 -3.027 1.00 0.00 C ATOM 384 NE2 HIS A 28 3.051 -1.624 -3.148 1.00 0.00 N ATOM 0 H HIS A 28 3.652 -1.979 2.910 1.00 0.00 H new ATOM 0 HA HIS A 28 4.863 -3.388 0.767 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.448 -2.879 0.966 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.780 -1.161 0.880 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.678 -4.262 -1.381 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.275 -0.102 -1.544 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.678 -3.632 -3.856 1.00 0.00 H new ATOM 392 N LEU A 29 5.695 -0.200 0.930 1.00 0.00 N ATOM 393 CA LEU A 29 6.643 0.813 0.441 1.00 0.00 C ATOM 394 C LEU A 29 8.095 0.506 0.769 1.00 0.00 C ATOM 395 O LEU A 29 8.969 0.942 0.023 1.00 0.00 O ATOM 396 CB LEU A 29 6.345 2.172 1.058 1.00 0.00 C ATOM 397 CG LEU A 29 5.041 2.786 0.562 1.00 0.00 C ATOM 398 CD1 LEU A 29 4.669 3.821 1.614 1.00 0.00 C ATOM 399 CD2 LEU A 29 5.155 3.463 -0.804 1.00 0.00 C ATOM 0 H LEU A 29 5.135 0.123 1.719 1.00 0.00 H new ATOM 0 HA LEU A 29 6.512 0.810 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.301 2.069 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.167 2.853 0.835 1.00 0.00 H new ATOM 0 HG LEU A 29 4.295 2.003 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.737 4.310 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.541 3.330 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.462 4.565 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.187 3.875 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.890 4.266 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.470 2.731 -1.548 1.00 0.00 H new ATOM 411 N ARG A 30 8.376 -0.253 1.833 1.00 0.00 N ATOM 412 CA ARG A 30 9.760 -0.640 2.157 1.00 0.00 C ATOM 413 C ARG A 30 10.426 -1.408 1.001 1.00 0.00 C ATOM 414 O ARG A 30 11.646 -1.365 0.838 1.00 0.00 O ATOM 415 CB ARG A 30 9.817 -1.483 3.444 1.00 0.00 C ATOM 416 CG ARG A 30 9.505 -0.666 4.704 1.00 0.00 C ATOM 417 CD ARG A 30 9.244 -1.580 5.908 1.00 0.00 C ATOM 418 NE ARG A 30 8.499 -0.864 6.958 1.00 0.00 N ATOM 419 CZ ARG A 30 8.282 -1.258 8.197 1.00 0.00 C ATOM 420 NH1 ARG A 30 8.751 -2.376 8.675 1.00 0.00 N ATOM 421 NH2 ARG A 30 7.565 -0.508 8.981 1.00 0.00 N ATOM 0 H ARG A 30 7.674 -0.610 2.481 1.00 0.00 H new ATOM 0 HA ARG A 30 10.314 0.285 2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.107 -2.306 3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.809 -1.925 3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.339 0.000 4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.633 -0.037 4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.680 -2.456 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.192 -1.940 6.309 1.00 0.00 H new ATOM 0 HE ARG A 30 8.106 0.040 6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.313 -2.988 8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.557 -2.639 9.641 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.180 0.371 8.634 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.388 -0.798 9.943 1.00 0.00 H new ATOM 435 N LYS A 31 9.610 -2.065 0.162 1.00 0.00 N ATOM 436 CA LYS A 31 10.017 -2.759 -1.071 1.00 0.00 C ATOM 437 C LYS A 31 10.286 -1.787 -2.229 1.00 0.00 C ATOM 438 O LYS A 31 11.114 -2.090 -3.089 1.00 0.00 O ATOM 439 CB LYS A 31 8.944 -3.797 -1.457 1.00 0.00 C ATOM 440 CG LYS A 31 8.679 -4.827 -0.345 1.00 0.00 C ATOM 441 CD LYS A 31 7.579 -5.819 -0.746 1.00 0.00 C ATOM 442 CE LYS A 31 7.386 -6.857 0.366 1.00 0.00 C ATOM 443 NZ LYS A 31 6.363 -7.872 -0.001 1.00 0.00 N ATOM 0 H LYS A 31 8.606 -2.130 0.331 1.00 0.00 H new ATOM 0 HA LYS A 31 10.960 -3.269 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.015 -3.280 -1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.259 -4.319 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.598 -5.371 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.388 -4.310 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.645 -5.287 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.847 -6.316 -1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.335 -7.354 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.086 -6.354 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.260 -8.557 0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.452 -7.401 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.661 -8.369 -0.864 1.00 0.00 H new ATOM 457 N HIS A 32 9.641 -0.614 -2.239 1.00 0.00 N ATOM 458 CA HIS A 32 9.917 0.464 -3.197 1.00 0.00 C ATOM 459 C HIS A 32 11.121 1.343 -2.804 1.00 0.00 C ATOM 460 O HIS A 32 11.863 1.781 -3.685 1.00 0.00 O ATOM 461 CB HIS A 32 8.648 1.309 -3.368 1.00 0.00 C ATOM 462 CG HIS A 32 7.526 0.556 -4.036 1.00 0.00 C ATOM 463 ND1 HIS A 32 7.601 -0.102 -5.241 1.00 0.00 N ATOM 464 CD2 HIS A 32 6.251 0.400 -3.571 1.00 0.00 C ATOM 465 CE1 HIS A 32 6.411 -0.653 -5.501 1.00 0.00 C ATOM 466 NE2 HIS A 32 5.531 -0.367 -4.511 1.00 0.00 N ATOM 0 H HIS A 32 8.903 -0.384 -1.573 1.00 0.00 H new ATOM 0 HA HIS A 32 10.196 0.003 -4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.314 1.656 -2.390 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.885 2.195 -3.957 1.00 0.00 H new ATOM 0 HD1 HIS A 32 8.427 -0.160 -5.837 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.862 0.795 -2.644 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.183 -1.243 -6.377 1.00 0.00 H new ATOM 474 N THR A 33 11.350 1.585 -1.507 1.00 0.00 N ATOM 475 CA THR A 33 12.489 2.386 -1.014 1.00 0.00 C ATOM 476 C THR A 33 13.797 1.588 -0.949 1.00 0.00 C ATOM 477 O THR A 33 14.859 2.130 -1.264 1.00 0.00 O ATOM 478 CB THR A 33 12.197 3.019 0.356 1.00 0.00 C ATOM 479 OG1 THR A 33 11.876 2.032 1.310 1.00 0.00 O ATOM 480 CG2 THR A 33 11.029 4.006 0.298 1.00 0.00 C ATOM 0 H THR A 33 10.750 1.231 -0.762 1.00 0.00 H new ATOM 0 HA THR A 33 12.621 3.182 -1.747 1.00 0.00 H new ATOM 0 HB THR A 33 13.106 3.549 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.696 2.458 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.860 4.428 1.289 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.264 4.807 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.130 3.487 -0.034 1.00 0.00 H new ATOM 488 N GLY A 34 13.733 0.294 -0.608 1.00 0.00 N ATOM 489 CA GLY A 34 14.872 -0.631 -0.619 1.00 0.00 C ATOM 490 C GLY A 34 15.975 -0.310 0.403 1.00 0.00 C ATOM 491 O GLY A 34 15.755 0.389 1.395 1.00 0.00 O ATOM 0 H GLY A 34 12.864 -0.149 -0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.504 -1.640 -0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.311 -0.633 -1.617 1.00 0.00 H new ATOM 495 N GLU A 35 17.176 -0.842 0.158 1.00 0.00 N ATOM 496 CA GLU A 35 18.353 -0.727 1.046 1.00 0.00 C ATOM 497 C GLU A 35 19.488 0.153 0.473 1.00 0.00 C ATOM 498 O GLU A 35 20.547 0.289 1.097 1.00 0.00 O ATOM 499 CB GLU A 35 18.864 -2.135 1.412 1.00 0.00 C ATOM 500 CG GLU A 35 17.827 -2.969 2.178 1.00 0.00 C ATOM 501 CD GLU A 35 18.420 -4.326 2.606 1.00 0.00 C ATOM 502 OE1 GLU A 35 18.358 -5.300 1.815 1.00 0.00 O ATOM 503 OE2 GLU A 35 18.950 -4.433 3.741 1.00 0.00 O ATOM 0 H GLU A 35 17.369 -1.381 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 35 18.022 -0.209 1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 35 19.144 -2.662 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 35 19.766 -2.042 2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.492 -2.420 3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.951 -3.132 1.551 1.00 0.00 H new ATOM 510 N LYS A 36 19.277 0.756 -0.706 1.00 0.00 N ATOM 511 CA LYS A 36 20.235 1.610 -1.434 1.00 0.00 C ATOM 512 C LYS A 36 19.525 2.749 -2.184 1.00 0.00 C ATOM 513 O LYS A 36 19.908 3.922 -1.972 1.00 0.00 O ATOM 514 CB LYS A 36 21.077 0.727 -2.380 1.00 0.00 C ATOM 515 CG LYS A 36 22.156 1.480 -3.177 1.00 0.00 C ATOM 516 CD LYS A 36 23.231 2.128 -2.286 1.00 0.00 C ATOM 517 CE LYS A 36 24.355 2.779 -3.105 1.00 0.00 C ATOM 518 NZ LYS A 36 23.898 3.992 -3.836 1.00 0.00 N ATOM 519 OXT LYS A 36 18.592 2.466 -2.969 1.00 0.00 O ATOM 0 H LYS A 36 18.392 0.659 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 36 20.901 2.093 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 36 21.559 -0.054 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 36 20.407 0.230 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 36 22.636 0.788 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 36 21.679 2.253 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 36 22.766 2.881 -1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 36 23.657 1.372 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 36 25.176 3.047 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 36 24.747 2.054 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 24.693 4.394 -4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 23.132 3.735 -4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 23.549 4.697 -3.155 1.00 0.00 H new TER 533 LYS A 36 HETATM 534 ZN ZN A 101 3.639 -0.531 -4.602 1.00 0.00 ZN