USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 478 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 Set 1.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 46 HIS : no HE2:sc= -6.11! C(o=-6.1!,f=-5.5!) USER MOD Set 2.1: A 20 THR OG1 : rot -62:sc= 0.775 USER MOD Set 2.2: A 27 CYS SG : rot -84:sc= 0.755 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.065 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 30:sc= 0.267 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 31:sc= 0.462 USER MOD Single : A 10 LYS NZ :NH3+ -131:sc=-0.00522 (180deg=-0.488) USER MOD Single : A 14 MET CE :methyl -178:sc= -2.29! (180deg=-2.32!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.42! K(o=-2.4!,f=-0.78) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0314) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 87:sc= 0.784 USER MOD Single : A 34 CYS SG : rot -135:sc= -0.508 USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= -0.956 (180deg=-2.15!) USER MOD Single : A 40 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.3) USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= -0.122 (180deg=-1.85!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00989) USER MOD Single : A 55 SER OG : rot 30:sc= 0.543 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0351 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.445 19.957 -8.384 1.00 0.00 N ATOM 2 CA GLY A 1 6.895 21.068 -7.567 1.00 0.00 C ATOM 3 C GLY A 1 8.406 21.170 -7.507 1.00 0.00 C ATOM 4 O GLY A 1 9.017 21.904 -8.284 1.00 0.00 O ATOM 0 H1 GLY A 1 5.405 19.931 -8.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.796 20.076 -9.356 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.810 19.066 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.487 21.997 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.501 20.955 -6.557 1.00 0.00 H new ATOM 8 N SER A 2 9.011 20.433 -6.582 1.00 0.00 N ATOM 9 CA SER A 2 10.461 20.448 -6.420 1.00 0.00 C ATOM 10 C SER A 2 10.955 19.131 -5.829 1.00 0.00 C ATOM 11 O SER A 2 10.161 18.251 -5.495 1.00 0.00 O ATOM 12 CB SER A 2 10.883 21.612 -5.522 1.00 0.00 C ATOM 13 OG SER A 2 12.285 21.815 -5.576 1.00 0.00 O ATOM 0 H SER A 2 8.520 19.818 -5.933 1.00 0.00 H new ATOM 0 HA SER A 2 10.910 20.576 -7.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.368 22.521 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.581 21.411 -4.494 1.00 0.00 H new ATOM 0 HG SER A 2 12.530 22.565 -4.995 1.00 0.00 H new ATOM 19 N SER A 3 12.272 19.003 -5.704 1.00 0.00 N ATOM 20 CA SER A 3 12.873 17.792 -5.157 1.00 0.00 C ATOM 21 C SER A 3 13.109 17.932 -3.656 1.00 0.00 C ATOM 22 O SER A 3 13.166 19.041 -3.126 1.00 0.00 O ATOM 23 CB SER A 3 14.195 17.490 -5.866 1.00 0.00 C ATOM 24 OG SER A 3 14.458 16.097 -5.882 1.00 0.00 O ATOM 0 H SER A 3 12.943 19.722 -5.974 1.00 0.00 H new ATOM 0 HA SER A 3 12.182 16.966 -5.323 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.158 17.868 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.009 18.011 -5.362 1.00 0.00 H new ATOM 0 HG SER A 3 15.307 15.930 -6.342 1.00 0.00 H new ATOM 30 N GLY A 4 13.243 16.798 -2.976 1.00 0.00 N ATOM 31 CA GLY A 4 13.470 16.815 -1.543 1.00 0.00 C ATOM 32 C GLY A 4 14.751 16.105 -1.150 1.00 0.00 C ATOM 33 O GLY A 4 15.835 16.470 -1.604 1.00 0.00 O ATOM 0 H GLY A 4 13.198 15.868 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.510 17.848 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.627 16.342 -1.039 1.00 0.00 H new ATOM 37 N SER A 5 14.627 15.089 -0.302 1.00 0.00 N ATOM 38 CA SER A 5 15.785 14.330 0.156 1.00 0.00 C ATOM 39 C SER A 5 15.386 12.908 0.538 1.00 0.00 C ATOM 40 O SER A 5 14.289 12.674 1.045 1.00 0.00 O ATOM 41 CB SER A 5 16.438 15.027 1.352 1.00 0.00 C ATOM 42 OG SER A 5 17.400 15.977 0.926 1.00 0.00 O ATOM 0 H SER A 5 13.737 14.772 0.082 1.00 0.00 H new ATOM 0 HA SER A 5 16.503 14.280 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.673 15.522 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.914 14.285 1.994 1.00 0.00 H new ATOM 0 HG SER A 5 17.137 16.340 0.054 1.00 0.00 H new ATOM 48 N SER A 6 16.285 11.961 0.291 1.00 0.00 N ATOM 49 CA SER A 6 16.027 10.561 0.604 1.00 0.00 C ATOM 50 C SER A 6 15.767 10.378 2.096 1.00 0.00 C ATOM 51 O SER A 6 15.849 11.328 2.874 1.00 0.00 O ATOM 52 CB SER A 6 17.210 9.693 0.171 1.00 0.00 C ATOM 53 OG SER A 6 17.485 9.858 -1.209 1.00 0.00 O ATOM 0 H SER A 6 17.199 12.138 -0.125 1.00 0.00 H new ATOM 0 HA SER A 6 15.138 10.249 0.056 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.092 9.957 0.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.992 8.645 0.379 1.00 0.00 H new ATOM 0 HG SER A 6 18.246 9.294 -1.461 1.00 0.00 H new ATOM 59 N GLY A 7 15.453 9.147 2.489 1.00 0.00 N ATOM 60 CA GLY A 7 15.185 8.859 3.886 1.00 0.00 C ATOM 61 C GLY A 7 13.902 8.077 4.082 1.00 0.00 C ATOM 62 O GLY A 7 13.863 6.868 3.854 1.00 0.00 O ATOM 0 H GLY A 7 15.379 8.344 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.018 8.294 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.125 9.795 4.441 1.00 0.00 H new ATOM 66 N SER A 8 12.849 8.767 4.507 1.00 0.00 N ATOM 67 CA SER A 8 11.558 8.128 4.739 1.00 0.00 C ATOM 68 C SER A 8 10.519 8.622 3.737 1.00 0.00 C ATOM 69 O SER A 8 9.917 9.679 3.922 1.00 0.00 O ATOM 70 CB SER A 8 11.078 8.402 6.165 1.00 0.00 C ATOM 71 OG SER A 8 12.031 7.960 7.118 1.00 0.00 O ATOM 0 H SER A 8 12.864 9.769 4.698 1.00 0.00 H new ATOM 0 HA SER A 8 11.684 7.053 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.899 9.470 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.127 7.897 6.335 1.00 0.00 H new ATOM 0 HG SER A 8 11.701 8.148 8.022 1.00 0.00 H new ATOM 77 N SER A 9 10.316 7.849 2.675 1.00 0.00 N ATOM 78 CA SER A 9 9.353 8.209 1.641 1.00 0.00 C ATOM 79 C SER A 9 8.115 8.857 2.253 1.00 0.00 C ATOM 80 O SER A 9 7.426 8.253 3.075 1.00 0.00 O ATOM 81 CB SER A 9 8.950 6.971 0.836 1.00 0.00 C ATOM 82 OG SER A 9 8.164 6.089 1.618 1.00 0.00 O ATOM 0 H SER A 9 10.805 6.970 2.508 1.00 0.00 H new ATOM 0 HA SER A 9 9.826 8.929 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.390 7.275 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.843 6.454 0.486 1.00 0.00 H new ATOM 0 HG SER A 9 7.645 6.604 2.271 1.00 0.00 H new ATOM 88 N LYS A 10 7.839 10.091 1.846 1.00 0.00 N ATOM 89 CA LYS A 10 6.683 10.823 2.352 1.00 0.00 C ATOM 90 C LYS A 10 5.753 11.226 1.212 1.00 0.00 C ATOM 91 O LYS A 10 4.640 10.714 1.098 1.00 0.00 O ATOM 92 CB LYS A 10 7.138 12.068 3.117 1.00 0.00 C ATOM 93 CG LYS A 10 6.071 12.642 4.033 1.00 0.00 C ATOM 94 CD LYS A 10 6.220 14.146 4.189 1.00 0.00 C ATOM 95 CE LYS A 10 5.407 14.898 3.146 1.00 0.00 C ATOM 96 NZ LYS A 10 6.205 15.185 1.921 1.00 0.00 N ATOM 0 H LYS A 10 8.400 10.606 1.167 1.00 0.00 H new ATOM 0 HA LYS A 10 6.136 10.167 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.018 11.819 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.441 12.833 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.084 12.413 3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.135 12.166 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.897 14.443 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.271 14.420 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.529 14.311 2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.047 15.834 3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.101 16.188 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.207 14.976 2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.864 14.592 1.138 1.00 0.00 H new ATOM 110 N GLU A 11 6.218 12.144 0.371 1.00 0.00 N ATOM 111 CA GLU A 11 5.426 12.614 -0.760 1.00 0.00 C ATOM 112 C GLU A 11 4.667 11.460 -1.409 1.00 0.00 C ATOM 113 O GLU A 11 3.486 11.584 -1.734 1.00 0.00 O ATOM 114 CB GLU A 11 6.326 13.294 -1.794 1.00 0.00 C ATOM 115 CG GLU A 11 5.612 14.348 -2.622 1.00 0.00 C ATOM 116 CD GLU A 11 6.552 15.102 -3.543 1.00 0.00 C ATOM 117 OE1 GLU A 11 7.318 15.952 -3.043 1.00 0.00 O ATOM 118 OE2 GLU A 11 6.522 14.842 -4.764 1.00 0.00 O ATOM 0 H GLU A 11 7.138 12.577 0.451 1.00 0.00 H new ATOM 0 HA GLU A 11 4.702 13.339 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.169 13.757 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.736 12.536 -2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.832 13.871 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.118 15.055 -1.956 1.00 0.00 H new ATOM 125 N LEU A 12 5.355 10.339 -1.596 1.00 0.00 N ATOM 126 CA LEU A 12 4.748 9.162 -2.208 1.00 0.00 C ATOM 127 C LEU A 12 3.697 8.550 -1.286 1.00 0.00 C ATOM 128 O LEU A 12 2.620 8.154 -1.733 1.00 0.00 O ATOM 129 CB LEU A 12 5.821 8.123 -2.537 1.00 0.00 C ATOM 130 CG LEU A 12 7.056 8.643 -3.273 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.089 7.538 -3.431 1.00 0.00 C ATOM 132 CD2 LEU A 12 6.668 9.210 -4.631 1.00 0.00 C ATOM 0 H LEU A 12 6.333 10.220 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 12 4.258 9.474 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.146 7.659 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.366 7.339 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 12 7.498 9.443 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.961 7.927 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.390 7.178 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.658 6.716 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.559 9.576 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.201 8.429 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.965 10.032 -4.495 1.00 0.00 H new ATOM 144 N LEU A 13 4.017 8.479 0.001 1.00 0.00 N ATOM 145 CA LEU A 13 3.099 7.918 0.987 1.00 0.00 C ATOM 146 C LEU A 13 1.767 8.660 0.975 1.00 0.00 C ATOM 147 O LEU A 13 0.702 8.044 0.995 1.00 0.00 O ATOM 148 CB LEU A 13 3.719 7.982 2.384 1.00 0.00 C ATOM 149 CG LEU A 13 2.756 7.789 3.555 1.00 0.00 C ATOM 150 CD1 LEU A 13 2.578 6.310 3.862 1.00 0.00 C ATOM 151 CD2 LEU A 13 3.255 8.534 4.785 1.00 0.00 C ATOM 0 H LEU A 13 4.904 8.802 0.387 1.00 0.00 H new ATOM 0 HA LEU A 13 2.915 6.876 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.496 7.221 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.209 8.949 2.498 1.00 0.00 H new ATOM 0 HG LEU A 13 1.786 8.200 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.889 6.192 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.175 5.802 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.542 5.874 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.557 8.385 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.236 8.153 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.330 9.598 4.560 1.00 0.00 H new ATOM 163 N MET A 14 1.835 9.987 0.941 1.00 0.00 N ATOM 164 CA MET A 14 0.633 10.813 0.923 1.00 0.00 C ATOM 165 C MET A 14 -0.190 10.549 -0.334 1.00 0.00 C ATOM 166 O MET A 14 -1.419 10.505 -0.287 1.00 0.00 O ATOM 167 CB MET A 14 1.005 12.295 1.001 1.00 0.00 C ATOM 168 CG MET A 14 1.339 12.765 2.407 1.00 0.00 C ATOM 169 SD MET A 14 2.611 11.758 3.193 1.00 0.00 S ATOM 170 CE MET A 14 2.915 12.700 4.686 1.00 0.00 C ATOM 0 H MET A 14 2.709 10.513 0.925 1.00 0.00 H new ATOM 0 HA MET A 14 0.030 10.551 1.792 1.00 0.00 H new ATOM 0 HB2 MET A 14 1.861 12.481 0.352 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.177 12.890 0.615 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.674 13.802 2.369 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.436 12.744 3.017 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.706 12.222 5.263 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.220 13.713 4.422 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.004 12.740 5.283 1.00 0.00 H new ATOM 180 N LYS A 15 0.496 10.374 -1.459 1.00 0.00 N ATOM 181 CA LYS A 15 -0.170 10.113 -2.729 1.00 0.00 C ATOM 182 C LYS A 15 -0.877 8.762 -2.705 1.00 0.00 C ATOM 183 O LYS A 15 -2.033 8.647 -3.117 1.00 0.00 O ATOM 184 CB LYS A 15 0.843 10.150 -3.876 1.00 0.00 C ATOM 185 CG LYS A 15 1.014 11.528 -4.492 1.00 0.00 C ATOM 186 CD LYS A 15 1.660 11.449 -5.865 1.00 0.00 C ATOM 187 CE LYS A 15 2.385 12.739 -6.216 1.00 0.00 C ATOM 188 NZ LYS A 15 1.479 13.725 -6.867 1.00 0.00 N ATOM 0 H LYS A 15 1.514 10.408 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.917 10.891 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.809 9.803 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.528 9.451 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.042 12.014 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.626 12.147 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.364 10.617 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.897 11.244 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.807 13.176 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.219 12.517 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.011 14.590 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.096 13.318 -7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.697 13.956 -6.222 1.00 0.00 H new ATOM 202 N LEU A 16 -0.179 7.742 -2.219 1.00 0.00 N ATOM 203 CA LEU A 16 -0.741 6.398 -2.140 1.00 0.00 C ATOM 204 C LEU A 16 -1.802 6.316 -1.047 1.00 0.00 C ATOM 205 O LEU A 16 -2.784 5.584 -1.176 1.00 0.00 O ATOM 206 CB LEU A 16 0.365 5.376 -1.871 1.00 0.00 C ATOM 207 CG LEU A 16 -0.071 3.911 -1.826 1.00 0.00 C ATOM 208 CD1 LEU A 16 -0.060 3.308 -3.222 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.828 3.115 -0.892 1.00 0.00 C ATOM 0 H LEU A 16 0.778 7.820 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.212 6.171 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.127 5.484 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.837 5.623 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.090 3.867 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.373 2.265 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.746 3.862 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.947 3.364 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.503 2.075 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.858 3.167 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.769 3.532 0.113 1.00 0.00 H new ATOM 221 N ARG A 17 -1.598 7.072 0.027 1.00 0.00 N ATOM 222 CA ARG A 17 -2.538 7.085 1.141 1.00 0.00 C ATOM 223 C ARG A 17 -3.977 7.155 0.639 1.00 0.00 C ATOM 224 O ARG A 17 -4.843 6.410 1.097 1.00 0.00 O ATOM 225 CB ARG A 17 -2.251 8.270 2.064 1.00 0.00 C ATOM 226 CG ARG A 17 -2.610 8.011 3.518 1.00 0.00 C ATOM 227 CD ARG A 17 -4.048 8.406 3.816 1.00 0.00 C ATOM 228 NE ARG A 17 -4.975 7.298 3.602 1.00 0.00 N ATOM 229 CZ ARG A 17 -6.167 7.214 4.183 1.00 0.00 C ATOM 230 NH1 ARG A 17 -6.574 8.169 5.009 1.00 0.00 N ATOM 231 NH2 ARG A 17 -6.954 6.175 3.939 1.00 0.00 N ATOM 0 H ARG A 17 -0.790 7.683 0.149 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.412 6.158 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.192 8.522 1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.807 9.138 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.467 6.955 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.936 8.572 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.124 8.748 4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.333 9.245 3.181 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.692 6.547 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.971 8.970 5.199 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.489 8.103 5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.645 5.439 3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.869 6.112 4.386 1.00 0.00 H new ATOM 245 N ARG A 18 -4.225 8.057 -0.306 1.00 0.00 N ATOM 246 CA ARG A 18 -5.559 8.226 -0.869 1.00 0.00 C ATOM 247 C ARG A 18 -5.854 7.142 -1.902 1.00 0.00 C ATOM 248 O ARG A 18 -6.908 6.506 -1.867 1.00 0.00 O ATOM 249 CB ARG A 18 -5.693 9.608 -1.512 1.00 0.00 C ATOM 250 CG ARG A 18 -4.646 9.888 -2.578 1.00 0.00 C ATOM 251 CD ARG A 18 -4.767 11.304 -3.119 1.00 0.00 C ATOM 252 NE ARG A 18 -5.932 11.460 -3.986 1.00 0.00 N ATOM 253 CZ ARG A 18 -7.153 11.725 -3.535 1.00 0.00 C ATOM 254 NH1 ARG A 18 -7.368 11.862 -2.234 1.00 0.00 N ATOM 255 NH2 ARG A 18 -8.163 11.854 -4.386 1.00 0.00 N ATOM 0 H ARG A 18 -3.520 8.681 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.282 8.138 -0.058 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.684 9.698 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.621 10.369 -0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.650 9.741 -2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.757 9.175 -3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.837 12.005 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.865 11.558 -3.675 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.801 11.360 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.595 11.764 -1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.307 12.065 -1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.002 11.750 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.100 12.057 -4.038 1.00 0.00 H new ATOM 269 N LYS A 19 -4.917 6.937 -2.821 1.00 0.00 N ATOM 270 CA LYS A 19 -5.075 5.931 -3.864 1.00 0.00 C ATOM 271 C LYS A 19 -5.570 4.613 -3.278 1.00 0.00 C ATOM 272 O LYS A 19 -6.651 4.134 -3.624 1.00 0.00 O ATOM 273 CB LYS A 19 -3.748 5.710 -4.594 1.00 0.00 C ATOM 274 CG LYS A 19 -3.377 6.840 -5.537 1.00 0.00 C ATOM 275 CD LYS A 19 -3.970 6.630 -6.920 1.00 0.00 C ATOM 276 CE LYS A 19 -4.042 7.934 -7.700 1.00 0.00 C ATOM 277 NZ LYS A 19 -2.719 8.317 -8.265 1.00 0.00 N ATOM 0 H LYS A 19 -4.039 7.455 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.817 6.294 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.954 5.587 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.805 4.780 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.731 7.787 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.292 6.911 -5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.366 5.909 -7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.969 6.204 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.767 7.834 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.401 8.729 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.811 9.211 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.033 8.437 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.387 7.571 -8.909 1.00 0.00 H new ATOM 291 N THR A 20 -4.774 4.030 -2.386 1.00 0.00 N ATOM 292 CA THR A 20 -5.132 2.768 -1.751 1.00 0.00 C ATOM 293 C THR A 20 -6.228 2.968 -0.711 1.00 0.00 C ATOM 294 O THR A 20 -7.156 2.166 -0.610 1.00 0.00 O ATOM 295 CB THR A 20 -3.912 2.113 -1.077 1.00 0.00 C ATOM 296 OG1 THR A 20 -3.550 2.846 0.098 1.00 0.00 O ATOM 297 CG2 THR A 20 -2.730 2.059 -2.032 1.00 0.00 C ATOM 0 H THR A 20 -3.877 4.412 -2.087 1.00 0.00 H new ATOM 0 HA THR A 20 -5.499 2.110 -2.539 1.00 0.00 H new ATOM 0 HB THR A 20 -4.181 1.094 -0.800 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.292 3.758 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.880 1.592 -1.533 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.000 1.475 -2.912 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.461 3.071 -2.336 1.00 0.00 H new ATOM 305 N GLY A 21 -6.115 4.043 0.063 1.00 0.00 N ATOM 306 CA GLY A 21 -7.104 4.329 1.086 1.00 0.00 C ATOM 307 C GLY A 21 -7.016 3.373 2.260 1.00 0.00 C ATOM 308 O GLY A 21 -8.035 2.991 2.835 1.00 0.00 O ATOM 0 H GLY A 21 -5.356 4.721 -0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.969 5.350 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.101 4.273 0.649 1.00 0.00 H new ATOM 312 N TYR A 22 -5.796 2.986 2.615 1.00 0.00 N ATOM 313 CA TYR A 22 -5.579 2.066 3.725 1.00 0.00 C ATOM 314 C TYR A 22 -4.873 2.766 4.883 1.00 0.00 C ATOM 315 O TYR A 22 -4.542 3.949 4.799 1.00 0.00 O ATOM 316 CB TYR A 22 -4.756 0.862 3.264 1.00 0.00 C ATOM 317 CG TYR A 22 -5.524 -0.094 2.381 1.00 0.00 C ATOM 318 CD1 TYR A 22 -5.836 0.239 1.068 1.00 0.00 C ATOM 319 CD2 TYR A 22 -5.940 -1.331 2.858 1.00 0.00 C ATOM 320 CE1 TYR A 22 -6.539 -0.631 0.258 1.00 0.00 C ATOM 321 CE2 TYR A 22 -6.642 -2.208 2.054 1.00 0.00 C ATOM 322 CZ TYR A 22 -6.939 -1.854 0.755 1.00 0.00 C ATOM 323 OH TYR A 22 -7.639 -2.724 -0.048 1.00 0.00 O ATOM 0 H TYR A 22 -4.942 3.295 2.150 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.553 1.720 4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.879 1.218 2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.394 0.323 4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.523 1.195 0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.710 -1.612 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.774 -0.355 -0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.957 -3.166 2.441 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.843 -3.540 0.454 1.00 0.00 H new ATOM 333 N SER A 23 -4.645 2.026 5.963 1.00 0.00 N ATOM 334 CA SER A 23 -3.981 2.574 7.139 1.00 0.00 C ATOM 335 C SER A 23 -2.647 3.211 6.763 1.00 0.00 C ATOM 336 O SER A 23 -1.863 2.637 6.006 1.00 0.00 O ATOM 337 CB SER A 23 -3.758 1.478 8.183 1.00 0.00 C ATOM 338 OG SER A 23 -4.990 1.027 8.719 1.00 0.00 O ATOM 0 H SER A 23 -4.911 1.045 6.048 1.00 0.00 H new ATOM 0 HA SER A 23 -4.626 3.344 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.227 0.641 7.729 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.126 1.859 8.985 1.00 0.00 H new ATOM 0 HG SER A 23 -4.821 0.326 9.382 1.00 0.00 H new ATOM 344 N PHE A 24 -2.396 4.402 7.296 1.00 0.00 N ATOM 345 CA PHE A 24 -1.157 5.120 7.016 1.00 0.00 C ATOM 346 C PHE A 24 0.049 4.195 7.148 1.00 0.00 C ATOM 347 O PHE A 24 0.914 4.156 6.273 1.00 0.00 O ATOM 348 CB PHE A 24 -1.007 6.311 7.965 1.00 0.00 C ATOM 349 CG PHE A 24 -1.633 7.573 7.446 1.00 0.00 C ATOM 350 CD1 PHE A 24 -2.961 7.866 7.715 1.00 0.00 C ATOM 351 CD2 PHE A 24 -0.894 8.468 6.689 1.00 0.00 C ATOM 352 CE1 PHE A 24 -3.539 9.027 7.238 1.00 0.00 C ATOM 353 CE2 PHE A 24 -1.467 9.631 6.209 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.791 9.911 6.485 1.00 0.00 C ATOM 0 H PHE A 24 -3.034 4.891 7.924 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.202 5.485 5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.458 6.059 8.925 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.053 6.489 8.147 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.551 7.179 8.304 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.142 8.254 6.471 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.575 9.243 7.454 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.880 10.320 5.619 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.241 10.820 6.113 1.00 0.00 H new ATOM 364 N VAL A 25 0.099 3.451 8.249 1.00 0.00 N ATOM 365 CA VAL A 25 1.198 2.525 8.496 1.00 0.00 C ATOM 366 C VAL A 25 1.224 1.411 7.456 1.00 0.00 C ATOM 367 O VAL A 25 2.287 1.021 6.975 1.00 0.00 O ATOM 368 CB VAL A 25 1.099 1.899 9.900 1.00 0.00 C ATOM 369 CG1 VAL A 25 1.480 2.915 10.966 1.00 0.00 C ATOM 370 CG2 VAL A 25 -0.301 1.358 10.144 1.00 0.00 C ATOM 0 H VAL A 25 -0.608 3.472 8.983 1.00 0.00 H new ATOM 0 HA VAL A 25 2.120 3.103 8.427 1.00 0.00 H new ATOM 0 HB VAL A 25 1.801 1.067 9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.404 2.455 11.951 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.504 3.250 10.800 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.805 3.769 10.912 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.353 0.919 11.140 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.024 2.170 10.067 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.531 0.596 9.400 1.00 0.00 H new ATOM 380 N ASN A 26 0.045 0.904 7.111 1.00 0.00 N ATOM 381 CA ASN A 26 -0.069 -0.166 6.127 1.00 0.00 C ATOM 382 C ASN A 26 0.570 0.243 4.803 1.00 0.00 C ATOM 383 O ASN A 26 1.537 -0.373 4.352 1.00 0.00 O ATOM 384 CB ASN A 26 -1.538 -0.531 5.906 1.00 0.00 C ATOM 385 CG ASN A 26 -2.011 -1.622 6.848 1.00 0.00 C ATOM 386 OD1 ASN A 26 -2.315 -2.736 6.422 1.00 0.00 O ATOM 387 ND2 ASN A 26 -2.074 -1.305 8.136 1.00 0.00 N ATOM 0 H ASN A 26 -0.845 1.217 7.498 1.00 0.00 H new ATOM 0 HA ASN A 26 0.460 -1.038 6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.155 0.357 6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.677 -0.859 4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.384 -1.998 8.817 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.812 -0.369 8.444 1.00 0.00 H new ATOM 394 N CYS A 27 0.023 1.284 4.186 1.00 0.00 N ATOM 395 CA CYS A 27 0.539 1.776 2.913 1.00 0.00 C ATOM 396 C CYS A 27 2.063 1.728 2.889 1.00 0.00 C ATOM 397 O CYS A 27 2.661 1.076 2.033 1.00 0.00 O ATOM 398 CB CYS A 27 0.057 3.206 2.663 1.00 0.00 C ATOM 399 SG CYS A 27 -1.741 3.380 2.607 1.00 0.00 S ATOM 0 H CYS A 27 -0.777 1.804 4.546 1.00 0.00 H new ATOM 0 HA CYS A 27 0.161 1.129 2.121 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.449 3.853 3.448 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.475 3.559 1.720 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.167 3.103 1.410 1.00 0.00 H new ATOM 405 N LYS A 28 2.687 2.424 3.834 1.00 0.00 N ATOM 406 CA LYS A 28 4.141 2.462 3.922 1.00 0.00 C ATOM 407 C LYS A 28 4.737 1.078 3.688 1.00 0.00 C ATOM 408 O LYS A 28 5.594 0.897 2.823 1.00 0.00 O ATOM 409 CB LYS A 28 4.576 2.991 5.291 1.00 0.00 C ATOM 410 CG LYS A 28 5.926 3.687 5.274 1.00 0.00 C ATOM 411 CD LYS A 28 6.021 4.748 6.358 1.00 0.00 C ATOM 412 CE LYS A 28 7.453 5.222 6.549 1.00 0.00 C ATOM 413 NZ LYS A 28 8.002 5.844 5.313 1.00 0.00 N ATOM 0 H LYS A 28 2.207 2.970 4.550 1.00 0.00 H new ATOM 0 HA LYS A 28 4.509 3.133 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.822 3.688 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.614 2.161 5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.718 2.951 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.087 4.147 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.388 5.596 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.641 4.345 7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.491 5.943 7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.079 4.378 6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.948 6.229 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.069 5.126 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.373 6.612 5.002 1.00 0.00 H new ATOM 427 N LYS A 29 4.278 0.102 4.464 1.00 0.00 N ATOM 428 CA LYS A 29 4.762 -1.268 4.340 1.00 0.00 C ATOM 429 C LYS A 29 4.790 -1.705 2.879 1.00 0.00 C ATOM 430 O LYS A 29 5.732 -2.360 2.435 1.00 0.00 O ATOM 431 CB LYS A 29 3.880 -2.219 5.151 1.00 0.00 C ATOM 432 CG LYS A 29 4.622 -3.432 5.684 1.00 0.00 C ATOM 433 CD LYS A 29 3.841 -4.123 6.789 1.00 0.00 C ATOM 434 CE LYS A 29 4.631 -5.272 7.396 1.00 0.00 C ATOM 435 NZ LYS A 29 3.745 -6.257 8.075 1.00 0.00 N ATOM 0 H LYS A 29 3.570 0.235 5.187 1.00 0.00 H new ATOM 0 HA LYS A 29 5.779 -1.304 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.445 -1.673 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.053 -2.555 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.803 -4.135 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.597 -3.126 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.592 -3.401 7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.899 -4.499 6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.200 -5.774 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.352 -4.878 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.322 -7.024 8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.220 -5.784 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.073 -6.652 7.386 1.00 0.00 H new ATOM 449 N ALA A 30 3.751 -1.337 2.136 1.00 0.00 N ATOM 450 CA ALA A 30 3.658 -1.689 0.725 1.00 0.00 C ATOM 451 C ALA A 30 4.683 -0.919 -0.101 1.00 0.00 C ATOM 452 O ALA A 30 5.437 -1.507 -0.878 1.00 0.00 O ATOM 453 CB ALA A 30 2.253 -1.422 0.206 1.00 0.00 C ATOM 0 H ALA A 30 2.962 -0.795 2.488 1.00 0.00 H new ATOM 0 HA ALA A 30 3.874 -2.753 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.198 -1.689 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.537 -2.020 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.016 -0.365 0.325 1.00 0.00 H new ATOM 459 N LEU A 31 4.707 0.398 0.071 1.00 0.00 N ATOM 460 CA LEU A 31 5.640 1.249 -0.659 1.00 0.00 C ATOM 461 C LEU A 31 7.074 0.758 -0.486 1.00 0.00 C ATOM 462 O LEU A 31 7.828 0.662 -1.453 1.00 0.00 O ATOM 463 CB LEU A 31 5.523 2.697 -0.180 1.00 0.00 C ATOM 464 CG LEU A 31 4.407 3.526 -0.817 1.00 0.00 C ATOM 465 CD1 LEU A 31 4.331 4.902 -0.173 1.00 0.00 C ATOM 466 CD2 LEU A 31 4.625 3.649 -2.318 1.00 0.00 C ATOM 0 H LEU A 31 4.091 0.900 0.710 1.00 0.00 H new ATOM 0 HA LEU A 31 5.384 1.202 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.373 2.691 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.473 3.198 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 31 3.459 3.015 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.531 5.478 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.128 4.794 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.280 5.421 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.822 4.242 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.581 4.137 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.629 2.656 -2.768 1.00 0.00 H new ATOM 478 N GLU A 32 7.442 0.447 0.754 1.00 0.00 N ATOM 479 CA GLU A 32 8.785 -0.035 1.052 1.00 0.00 C ATOM 480 C GLU A 32 9.005 -1.429 0.472 1.00 0.00 C ATOM 481 O GLU A 32 9.778 -1.608 -0.470 1.00 0.00 O ATOM 482 CB GLU A 32 9.019 -0.057 2.564 1.00 0.00 C ATOM 483 CG GLU A 32 9.575 1.245 3.114 1.00 0.00 C ATOM 484 CD GLU A 32 11.069 1.382 2.891 1.00 0.00 C ATOM 485 OE1 GLU A 32 11.842 0.862 3.723 1.00 0.00 O ATOM 486 OE2 GLU A 32 11.464 2.009 1.887 1.00 0.00 O ATOM 0 H GLU A 32 6.829 0.520 1.566 1.00 0.00 H new ATOM 0 HA GLU A 32 9.499 0.648 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.077 -0.280 3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.708 -0.867 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.063 2.083 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.364 1.304 4.182 1.00 0.00 H new ATOM 493 N THR A 33 8.319 -2.415 1.041 1.00 0.00 N ATOM 494 CA THR A 33 8.439 -3.793 0.583 1.00 0.00 C ATOM 495 C THR A 33 8.456 -3.867 -0.940 1.00 0.00 C ATOM 496 O THR A 33 9.145 -4.705 -1.523 1.00 0.00 O ATOM 497 CB THR A 33 7.285 -4.665 1.115 1.00 0.00 C ATOM 498 OG1 THR A 33 7.292 -4.665 2.546 1.00 0.00 O ATOM 499 CG2 THR A 33 7.405 -6.092 0.602 1.00 0.00 C ATOM 0 H THR A 33 7.674 -2.284 1.820 1.00 0.00 H new ATOM 0 HA THR A 33 9.383 -4.174 0.973 1.00 0.00 H new ATOM 0 HB THR A 33 6.345 -4.245 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.777 -3.899 2.876 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.580 -6.689 0.990 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.371 -6.091 -0.487 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.351 -6.520 0.935 1.00 0.00 H new ATOM 507 N CYS A 34 7.695 -2.985 -1.579 1.00 0.00 N ATOM 508 CA CYS A 34 7.623 -2.951 -3.035 1.00 0.00 C ATOM 509 C CYS A 34 8.789 -2.159 -3.618 1.00 0.00 C ATOM 510 O CYS A 34 9.667 -2.719 -4.272 1.00 0.00 O ATOM 511 CB CYS A 34 6.297 -2.336 -3.486 1.00 0.00 C ATOM 512 SG CYS A 34 4.837 -3.270 -2.970 1.00 0.00 S ATOM 0 H CYS A 34 7.120 -2.284 -1.112 1.00 0.00 H new ATOM 0 HA CYS A 34 7.684 -3.976 -3.402 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.226 -1.323 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.298 -2.255 -4.573 1.00 0.00 H new ATOM 0 HG CYS A 34 4.013 -3.375 -3.970 1.00 0.00 H new ATOM 518 N GLY A 35 8.788 -0.851 -3.379 1.00 0.00 N ATOM 519 CA GLY A 35 9.850 -0.003 -3.889 1.00 0.00 C ATOM 520 C GLY A 35 9.347 1.361 -4.316 1.00 0.00 C ATOM 521 O GLY A 35 9.409 1.713 -5.493 1.00 0.00 O ATOM 0 H GLY A 35 8.071 -0.364 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.614 0.119 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.326 -0.493 -4.738 1.00 0.00 H new ATOM 525 N GLY A 36 8.845 2.133 -3.356 1.00 0.00 N ATOM 526 CA GLY A 36 8.335 3.457 -3.660 1.00 0.00 C ATOM 527 C GLY A 36 7.640 3.516 -5.005 1.00 0.00 C ATOM 528 O GLY A 36 7.943 4.377 -5.832 1.00 0.00 O ATOM 0 H GLY A 36 8.783 1.865 -2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.637 3.762 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.158 4.171 -3.648 1.00 0.00 H new ATOM 532 N ASP A 37 6.705 2.599 -5.227 1.00 0.00 N ATOM 533 CA ASP A 37 5.965 2.549 -6.482 1.00 0.00 C ATOM 534 C ASP A 37 4.466 2.428 -6.225 1.00 0.00 C ATOM 535 O ASP A 37 3.955 1.335 -5.974 1.00 0.00 O ATOM 536 CB ASP A 37 6.445 1.375 -7.336 1.00 0.00 C ATOM 537 CG ASP A 37 7.585 1.758 -8.259 1.00 0.00 C ATOM 538 OD1 ASP A 37 7.480 2.806 -8.929 1.00 0.00 O ATOM 539 OD2 ASP A 37 8.583 1.009 -8.310 1.00 0.00 O ATOM 0 H ASP A 37 6.442 1.880 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 37 6.149 3.479 -7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.767 0.563 -6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.612 0.997 -7.929 1.00 0.00 H new ATOM 544 N LEU A 38 3.767 3.555 -6.287 1.00 0.00 N ATOM 545 CA LEU A 38 2.326 3.576 -6.060 1.00 0.00 C ATOM 546 C LEU A 38 1.656 2.365 -6.700 1.00 0.00 C ATOM 547 O LEU A 38 0.863 1.671 -6.064 1.00 0.00 O ATOM 548 CB LEU A 38 1.720 4.864 -6.620 1.00 0.00 C ATOM 549 CG LEU A 38 1.649 6.048 -5.654 1.00 0.00 C ATOM 550 CD1 LEU A 38 2.958 6.820 -5.659 1.00 0.00 C ATOM 551 CD2 LEU A 38 0.487 6.961 -6.015 1.00 0.00 C ATOM 0 H LEU A 38 4.174 4.467 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 38 2.152 3.538 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.301 5.166 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.711 4.645 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 38 1.483 5.663 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.889 7.658 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.770 6.161 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.156 7.195 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.452 7.798 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.622 7.339 -7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.447 6.401 -5.958 1.00 0.00 H new ATOM 563 N LYS A 39 1.982 2.114 -7.964 1.00 0.00 N ATOM 564 CA LYS A 39 1.416 0.985 -8.691 1.00 0.00 C ATOM 565 C LYS A 39 1.735 -0.330 -7.988 1.00 0.00 C ATOM 566 O LYS A 39 0.835 -1.033 -7.529 1.00 0.00 O ATOM 567 CB LYS A 39 1.953 0.953 -10.124 1.00 0.00 C ATOM 568 CG LYS A 39 1.521 -0.274 -10.908 1.00 0.00 C ATOM 569 CD LYS A 39 0.022 -0.278 -11.156 1.00 0.00 C ATOM 570 CE LYS A 39 -0.333 0.454 -12.441 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.101 1.921 -12.326 1.00 0.00 N ATOM 0 H LYS A 39 2.636 2.679 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 39 0.333 1.109 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.616 1.847 -10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.042 0.991 -10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.048 -0.302 -11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.803 -1.174 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.336 -1.306 -11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.488 0.192 -10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.262 0.055 -13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.379 0.270 -12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.726 2.424 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.305 2.230 -11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.890 2.135 -12.556 1.00 0.00 H new ATOM 585 N GLN A 40 3.021 -0.656 -7.907 1.00 0.00 N ATOM 586 CA GLN A 40 3.458 -1.887 -7.259 1.00 0.00 C ATOM 587 C GLN A 40 2.951 -1.954 -5.822 1.00 0.00 C ATOM 588 O GLN A 40 2.881 -3.030 -5.228 1.00 0.00 O ATOM 589 CB GLN A 40 4.984 -1.985 -7.279 1.00 0.00 C ATOM 590 CG GLN A 40 5.567 -2.105 -8.678 1.00 0.00 C ATOM 591 CD GLN A 40 4.838 -3.126 -9.529 1.00 0.00 C ATOM 592 OE1 GLN A 40 4.314 -2.802 -10.595 1.00 0.00 O ATOM 593 NE2 GLN A 40 4.801 -4.368 -9.061 1.00 0.00 N ATOM 0 H GLN A 40 3.778 -0.085 -8.282 1.00 0.00 H new ATOM 0 HA GLN A 40 3.040 -2.728 -7.813 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.403 -1.103 -6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.292 -2.849 -6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.526 -1.133 -9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.619 -2.382 -8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.249 -4.592 -8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.325 -5.098 -9.590 1.00 0.00 H new ATOM 602 N ALA A 41 2.600 -0.798 -5.269 1.00 0.00 N ATOM 603 CA ALA A 41 2.098 -0.727 -3.902 1.00 0.00 C ATOM 604 C ALA A 41 0.590 -0.947 -3.858 1.00 0.00 C ATOM 605 O ALA A 41 0.068 -1.543 -2.917 1.00 0.00 O ATOM 606 CB ALA A 41 2.456 0.614 -3.278 1.00 0.00 C ATOM 0 H ALA A 41 2.654 0.102 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 41 2.571 -1.522 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.075 0.654 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.540 0.732 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.010 1.418 -3.863 1.00 0.00 H new ATOM 612 N GLU A 42 -0.104 -0.462 -4.883 1.00 0.00 N ATOM 613 CA GLU A 42 -1.553 -0.605 -4.959 1.00 0.00 C ATOM 614 C GLU A 42 -1.946 -2.068 -5.149 1.00 0.00 C ATOM 615 O GLU A 42 -2.962 -2.521 -4.622 1.00 0.00 O ATOM 616 CB GLU A 42 -2.112 0.237 -6.108 1.00 0.00 C ATOM 617 CG GLU A 42 -3.628 0.332 -6.112 1.00 0.00 C ATOM 618 CD GLU A 42 -4.157 1.165 -7.263 1.00 0.00 C ATOM 619 OE1 GLU A 42 -3.562 1.110 -8.360 1.00 0.00 O ATOM 620 OE2 GLU A 42 -5.168 1.873 -7.067 1.00 0.00 O ATOM 0 H GLU A 42 0.313 0.033 -5.671 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.977 -0.251 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.694 1.242 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.781 -0.190 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.051 -0.671 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.964 0.766 -5.170 1.00 0.00 H new ATOM 627 N ILE A 43 -1.134 -2.799 -5.905 1.00 0.00 N ATOM 628 CA ILE A 43 -1.396 -4.209 -6.164 1.00 0.00 C ATOM 629 C ILE A 43 -1.162 -5.050 -4.914 1.00 0.00 C ATOM 630 O ILE A 43 -1.894 -6.004 -4.649 1.00 0.00 O ATOM 631 CB ILE A 43 -0.511 -4.746 -7.304 1.00 0.00 C ATOM 632 CG1 ILE A 43 -0.758 -3.952 -8.589 1.00 0.00 C ATOM 633 CG2 ILE A 43 -0.779 -6.226 -7.531 1.00 0.00 C ATOM 634 CD1 ILE A 43 0.452 -3.874 -9.493 1.00 0.00 C ATOM 0 H ILE A 43 -0.289 -2.438 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.442 -4.286 -6.460 1.00 0.00 H new ATOM 0 HB ILE A 43 0.534 -4.625 -7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.582 -4.410 -9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.072 -2.941 -8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.146 -6.591 -8.340 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.557 -6.780 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.826 -6.369 -7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.204 -3.297 -10.384 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.272 -3.389 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.754 -4.880 -9.785 1.00 0.00 H new ATOM 646 N TRP A 44 -0.138 -4.690 -4.149 1.00 0.00 N ATOM 647 CA TRP A 44 0.192 -5.411 -2.925 1.00 0.00 C ATOM 648 C TRP A 44 -0.964 -5.356 -1.932 1.00 0.00 C ATOM 649 O TRP A 44 -1.615 -6.368 -1.667 1.00 0.00 O ATOM 650 CB TRP A 44 1.454 -4.826 -2.289 1.00 0.00 C ATOM 651 CG TRP A 44 1.972 -5.639 -1.141 1.00 0.00 C ATOM 652 CD1 TRP A 44 2.807 -6.718 -1.212 1.00 0.00 C ATOM 653 CD2 TRP A 44 1.689 -5.439 0.248 1.00 0.00 C ATOM 654 NE1 TRP A 44 3.059 -7.201 0.049 1.00 0.00 N ATOM 655 CE2 TRP A 44 2.386 -6.434 0.962 1.00 0.00 C ATOM 656 CE3 TRP A 44 0.917 -4.516 0.958 1.00 0.00 C ATOM 657 CZ2 TRP A 44 2.330 -6.529 2.350 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.862 -4.613 2.335 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.566 -5.613 3.020 1.00 0.00 C ATOM 0 H TRP A 44 0.478 -3.903 -4.354 1.00 0.00 H new ATOM 0 HA TRP A 44 0.374 -6.454 -3.185 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.232 -4.746 -3.049 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.242 -3.815 -1.942 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.210 -7.131 -2.125 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.652 -8.001 0.270 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.373 -3.740 0.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.871 -7.299 2.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.266 -3.906 2.893 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.504 -5.661 4.097 1.00 0.00 H new ATOM 670 N LEU A 45 -1.216 -4.171 -1.388 1.00 0.00 N ATOM 671 CA LEU A 45 -2.295 -3.985 -0.424 1.00 0.00 C ATOM 672 C LEU A 45 -3.553 -4.727 -0.865 1.00 0.00 C ATOM 673 O LEU A 45 -4.084 -5.562 -0.132 1.00 0.00 O ATOM 674 CB LEU A 45 -2.601 -2.497 -0.252 1.00 0.00 C ATOM 675 CG LEU A 45 -1.497 -1.653 0.385 1.00 0.00 C ATOM 676 CD1 LEU A 45 -1.644 -0.193 -0.011 1.00 0.00 C ATOM 677 CD2 LEU A 45 -1.520 -1.801 1.900 1.00 0.00 C ATOM 0 H LEU A 45 -0.688 -3.324 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.970 -4.395 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.831 -2.078 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.501 -2.400 0.355 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.535 -2.012 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.849 0.391 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.577 -0.102 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.612 0.180 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.728 -1.193 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.485 -1.469 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.364 -2.847 2.166 1.00 0.00 H new ATOM 689 N HIS A 46 -4.023 -4.419 -2.070 1.00 0.00 N ATOM 690 CA HIS A 46 -5.217 -5.059 -2.610 1.00 0.00 C ATOM 691 C HIS A 46 -5.106 -6.578 -2.525 1.00 0.00 C ATOM 692 O HIS A 46 -6.077 -7.267 -2.211 1.00 0.00 O ATOM 693 CB HIS A 46 -5.437 -4.633 -4.062 1.00 0.00 C ATOM 694 CG HIS A 46 -5.754 -3.177 -4.217 1.00 0.00 C ATOM 695 ND1 HIS A 46 -6.460 -2.456 -3.278 1.00 0.00 N ATOM 696 CD2 HIS A 46 -5.455 -2.307 -5.210 1.00 0.00 C ATOM 697 CE1 HIS A 46 -6.583 -1.206 -3.687 1.00 0.00 C ATOM 698 NE2 HIS A 46 -5.981 -1.089 -4.857 1.00 0.00 N ATOM 0 H HIS A 46 -3.596 -3.731 -2.690 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.071 -4.741 -2.012 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.542 -4.865 -4.640 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.251 -5.221 -4.485 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.830 -2.829 -2.404 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.905 -2.530 -6.112 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.090 -0.414 -3.155 1.00 0.00 H new ATOM 707 N LYS A 47 -3.915 -7.096 -2.809 1.00 0.00 N ATOM 708 CA LYS A 47 -3.675 -8.533 -2.764 1.00 0.00 C ATOM 709 C LYS A 47 -3.733 -9.050 -1.330 1.00 0.00 C ATOM 710 O LYS A 47 -4.556 -9.905 -1.003 1.00 0.00 O ATOM 711 CB LYS A 47 -2.314 -8.863 -3.381 1.00 0.00 C ATOM 712 CG LYS A 47 -2.372 -9.130 -4.876 1.00 0.00 C ATOM 713 CD LYS A 47 -0.991 -9.406 -5.447 1.00 0.00 C ATOM 714 CE LYS A 47 -1.075 -10.128 -6.783 1.00 0.00 C ATOM 715 NZ LYS A 47 -1.658 -9.263 -7.846 1.00 0.00 N ATOM 0 H LYS A 47 -3.101 -6.541 -3.073 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.458 -9.025 -3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.630 -8.035 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.900 -9.738 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.024 -9.982 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.811 -8.271 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.454 -8.466 -5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.418 -10.008 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.079 -10.452 -7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.682 -11.027 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.284 -9.831 -8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.205 -8.495 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.893 -8.858 -8.422 1.00 0.00 H new ATOM 729 N GLU A 48 -2.856 -8.526 -0.480 1.00 0.00 N ATOM 730 CA GLU A 48 -2.810 -8.935 0.918 1.00 0.00 C ATOM 731 C GLU A 48 -4.193 -8.846 1.557 1.00 0.00 C ATOM 732 O GLU A 48 -4.564 -9.685 2.378 1.00 0.00 O ATOM 733 CB GLU A 48 -1.820 -8.064 1.695 1.00 0.00 C ATOM 734 CG GLU A 48 -0.372 -8.494 1.530 1.00 0.00 C ATOM 735 CD GLU A 48 -0.052 -8.935 0.115 1.00 0.00 C ATOM 736 OE1 GLU A 48 0.180 -8.058 -0.743 1.00 0.00 O ATOM 737 OE2 GLU A 48 -0.033 -10.159 -0.134 1.00 0.00 O ATOM 0 H GLU A 48 -2.168 -7.818 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.478 -9.972 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.923 -7.030 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.079 -8.089 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.282 -7.667 1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.159 -9.312 2.218 1.00 0.00 H new ATOM 744 N ALA A 49 -4.950 -7.824 1.175 1.00 0.00 N ATOM 745 CA ALA A 49 -6.292 -7.625 1.708 1.00 0.00 C ATOM 746 C ALA A 49 -7.210 -8.782 1.329 1.00 0.00 C ATOM 747 O ALA A 49 -8.144 -9.110 2.060 1.00 0.00 O ATOM 748 CB ALA A 49 -6.868 -6.307 1.212 1.00 0.00 C ATOM 0 H ALA A 49 -4.657 -7.120 0.498 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.223 -7.591 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.870 -6.172 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.231 -5.485 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.916 -6.318 0.123 1.00 0.00 H new ATOM 754 N GLN A 50 -6.939 -9.395 0.181 1.00 0.00 N ATOM 755 CA GLN A 50 -7.743 -10.514 -0.295 1.00 0.00 C ATOM 756 C GLN A 50 -7.419 -11.786 0.482 1.00 0.00 C ATOM 757 O GLN A 50 -8.318 -12.515 0.903 1.00 0.00 O ATOM 758 CB GLN A 50 -7.505 -10.741 -1.789 1.00 0.00 C ATOM 759 CG GLN A 50 -7.717 -12.181 -2.227 1.00 0.00 C ATOM 760 CD GLN A 50 -8.170 -12.292 -3.670 1.00 0.00 C ATOM 761 OE1 GLN A 50 -7.453 -11.899 -4.590 1.00 0.00 O ATOM 762 NE2 GLN A 50 -9.367 -12.829 -3.875 1.00 0.00 N ATOM 0 H GLN A 50 -6.169 -9.136 -0.436 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.793 -10.269 -0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.174 -10.095 -2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.487 -10.441 -2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.788 -12.736 -2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.460 -12.648 -1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.928 -13.142 -3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.725 -12.929 -4.825 1.00 0.00 H new ATOM 771 N LYS A 51 -6.130 -12.048 0.668 1.00 0.00 N ATOM 772 CA LYS A 51 -5.687 -13.231 1.395 1.00 0.00 C ATOM 773 C LYS A 51 -6.022 -13.116 2.879 1.00 0.00 C ATOM 774 O LYS A 51 -6.561 -14.047 3.476 1.00 0.00 O ATOM 775 CB LYS A 51 -4.180 -13.431 1.216 1.00 0.00 C ATOM 776 CG LYS A 51 -3.797 -13.979 -0.148 1.00 0.00 C ATOM 777 CD LYS A 51 -3.557 -12.862 -1.150 1.00 0.00 C ATOM 778 CE LYS A 51 -2.233 -12.158 -0.893 1.00 0.00 C ATOM 779 NZ LYS A 51 -1.074 -12.964 -1.366 1.00 0.00 N ATOM 0 H LYS A 51 -5.373 -11.456 0.325 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.213 -14.094 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.675 -12.478 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.818 -14.112 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.897 -14.587 -0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.588 -14.633 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.563 -13.271 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.371 -12.140 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.232 -11.191 -1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.127 -11.962 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.195 -12.428 -1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.030 -13.855 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.187 -13.173 -2.379 1.00 0.00 H new ATOM 793 N GLU A 52 -5.700 -11.967 3.466 1.00 0.00 N ATOM 794 CA GLU A 52 -5.968 -11.732 4.880 1.00 0.00 C ATOM 795 C GLU A 52 -7.441 -11.405 5.107 1.00 0.00 C ATOM 796 O GLU A 52 -8.157 -12.148 5.777 1.00 0.00 O ATOM 797 CB GLU A 52 -5.095 -10.590 5.404 1.00 0.00 C ATOM 798 CG GLU A 52 -3.616 -10.766 5.101 1.00 0.00 C ATOM 799 CD GLU A 52 -2.726 -10.106 6.136 1.00 0.00 C ATOM 800 OE1 GLU A 52 -3.190 -9.912 7.279 1.00 0.00 O ATOM 801 OE2 GLU A 52 -1.566 -9.785 5.804 1.00 0.00 O ATOM 0 H GLU A 52 -5.254 -11.186 2.985 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.727 -12.644 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.438 -9.652 4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.229 -10.507 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.383 -11.830 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.398 -10.346 4.119 1.00 0.00 H new ATOM 808 N GLY A 53 -7.888 -10.287 4.543 1.00 0.00 N ATOM 809 CA GLY A 53 -9.272 -9.880 4.696 1.00 0.00 C ATOM 810 C GLY A 53 -9.420 -8.633 5.545 1.00 0.00 C ATOM 811 O GLY A 53 -9.835 -8.708 6.702 1.00 0.00 O ATOM 0 H GLY A 53 -7.316 -9.656 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.705 -9.699 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.839 -10.693 5.149 1.00 0.00 H new ATOM 815 N TRP A 54 -9.079 -7.485 4.971 1.00 0.00 N ATOM 816 CA TRP A 54 -9.175 -6.216 5.684 1.00 0.00 C ATOM 817 C TRP A 54 -10.441 -5.465 5.290 1.00 0.00 C ATOM 818 O TRP A 54 -11.291 -5.177 6.133 1.00 0.00 O ATOM 819 CB TRP A 54 -7.945 -5.354 5.399 1.00 0.00 C ATOM 820 CG TRP A 54 -6.650 -6.045 5.703 1.00 0.00 C ATOM 821 CD1 TRP A 54 -6.417 -6.945 6.703 1.00 0.00 C ATOM 822 CD2 TRP A 54 -5.412 -5.892 5.001 1.00 0.00 C ATOM 823 NE1 TRP A 54 -5.108 -7.360 6.666 1.00 0.00 N ATOM 824 CE2 TRP A 54 -4.470 -6.730 5.631 1.00 0.00 C ATOM 825 CE3 TRP A 54 -5.007 -5.130 3.902 1.00 0.00 C ATOM 826 CZ2 TRP A 54 -3.151 -6.824 5.196 1.00 0.00 C ATOM 827 CZ3 TRP A 54 -3.697 -5.225 3.473 1.00 0.00 C ATOM 828 CH2 TRP A 54 -2.781 -6.067 4.118 1.00 0.00 C ATOM 0 H TRP A 54 -8.734 -7.406 4.014 1.00 0.00 H new ATOM 0 HA TRP A 54 -9.220 -6.430 6.752 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -7.953 -5.058 4.350 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.007 -4.439 5.988 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.153 -7.281 7.418 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.680 -8.029 7.306 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -5.705 -4.479 3.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.444 -7.472 5.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.373 -4.640 2.625 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.764 -6.119 3.757 1.00 0.00 H new ATOM 839 N SER A 55 -10.562 -5.149 4.005 1.00 0.00 N ATOM 840 CA SER A 55 -11.724 -4.428 3.500 1.00 0.00 C ATOM 841 C SER A 55 -12.962 -5.318 3.507 1.00 0.00 C ATOM 842 O SER A 55 -12.982 -6.380 2.883 1.00 0.00 O ATOM 843 CB SER A 55 -11.457 -3.917 2.082 1.00 0.00 C ATOM 844 OG SER A 55 -11.306 -4.993 1.173 1.00 0.00 O ATOM 0 H SER A 55 -9.869 -5.381 3.294 1.00 0.00 H new ATOM 0 HA SER A 55 -11.906 -3.578 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.280 -3.278 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.556 -3.303 2.077 1.00 0.00 H new ATOM 0 HG SER A 55 -11.836 -5.758 1.481 1.00 0.00 H new ATOM 850 N LYS A 56 -13.995 -4.879 4.218 1.00 0.00 N ATOM 851 CA LYS A 56 -15.239 -5.634 4.307 1.00 0.00 C ATOM 852 C LYS A 56 -16.159 -5.308 3.135 1.00 0.00 C ATOM 853 O LYS A 56 -17.375 -5.209 3.296 1.00 0.00 O ATOM 854 CB LYS A 56 -15.951 -5.329 5.627 1.00 0.00 C ATOM 855 CG LYS A 56 -16.487 -3.911 5.716 1.00 0.00 C ATOM 856 CD LYS A 56 -17.047 -3.612 7.097 1.00 0.00 C ATOM 857 CE LYS A 56 -18.474 -4.119 7.241 1.00 0.00 C ATOM 858 NZ LYS A 56 -19.167 -3.503 8.405 1.00 0.00 N ATOM 0 H LYS A 56 -13.995 -4.003 4.741 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.994 -6.695 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.777 -6.029 5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.258 -5.499 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.690 -3.205 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.266 -3.768 4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.416 -4.077 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.022 -2.537 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -19.031 -3.900 6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.464 -5.203 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -20.136 -3.875 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.650 -3.733 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.199 -2.471 8.283 1.00 0.00 H new ATOM 872 N ALA A 57 -15.570 -5.143 1.955 1.00 0.00 N ATOM 873 CA ALA A 57 -16.337 -4.832 0.755 1.00 0.00 C ATOM 874 C ALA A 57 -16.264 -5.973 -0.255 1.00 0.00 C ATOM 875 O ALA A 57 -15.477 -6.905 -0.096 1.00 0.00 O ATOM 876 CB ALA A 57 -15.837 -3.538 0.130 1.00 0.00 C ATOM 0 H ALA A 57 -14.564 -5.220 1.805 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.380 -4.704 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -16.419 -3.318 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.948 -2.722 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.786 -3.646 -0.138 1.00 0.00 H new ATOM 882 N ALA A 58 -17.091 -5.892 -1.292 1.00 0.00 N ATOM 883 CA ALA A 58 -17.119 -6.917 -2.328 1.00 0.00 C ATOM 884 C ALA A 58 -16.783 -6.327 -3.693 1.00 0.00 C ATOM 885 O ALA A 58 -17.675 -5.947 -4.452 1.00 0.00 O ATOM 886 CB ALA A 58 -18.481 -7.594 -2.364 1.00 0.00 C ATOM 0 H ALA A 58 -17.750 -5.127 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.361 -7.663 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -18.488 -8.357 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -18.682 -8.058 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -19.251 -6.852 -2.577 1.00 0.00 H new ATOM 892 N SER A 59 -15.492 -6.253 -4.000 1.00 0.00 N ATOM 893 CA SER A 59 -15.039 -5.705 -5.273 1.00 0.00 C ATOM 894 C SER A 59 -13.823 -6.467 -5.791 1.00 0.00 C ATOM 895 O SER A 59 -13.015 -6.972 -5.012 1.00 0.00 O ATOM 896 CB SER A 59 -14.698 -4.221 -5.121 1.00 0.00 C ATOM 897 OG SER A 59 -14.475 -3.617 -6.383 1.00 0.00 O ATOM 0 H SER A 59 -14.741 -6.566 -3.384 1.00 0.00 H new ATOM 0 HA SER A 59 -15.848 -5.813 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.512 -3.708 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.809 -4.111 -4.499 1.00 0.00 H new ATOM 0 HG SER A 59 -14.261 -2.669 -6.259 1.00 0.00 H new ATOM 903 N GLY A 60 -13.699 -6.545 -7.112 1.00 0.00 N ATOM 904 CA GLY A 60 -12.580 -7.247 -7.713 1.00 0.00 C ATOM 905 C GLY A 60 -11.498 -6.304 -8.200 1.00 0.00 C ATOM 906 O GLY A 60 -11.767 -5.173 -8.605 1.00 0.00 O ATOM 0 H GLY A 60 -14.354 -6.134 -7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.155 -7.938 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.938 -7.847 -8.550 1.00 0.00 H new ATOM 910 N PRO A 61 -10.241 -6.769 -8.162 1.00 0.00 N ATOM 911 CA PRO A 61 -9.089 -5.974 -8.599 1.00 0.00 C ATOM 912 C PRO A 61 -9.070 -5.762 -10.109 1.00 0.00 C ATOM 913 O PRO A 61 -8.234 -5.025 -10.631 1.00 0.00 O ATOM 914 CB PRO A 61 -7.889 -6.819 -8.162 1.00 0.00 C ATOM 915 CG PRO A 61 -8.407 -8.215 -8.112 1.00 0.00 C ATOM 916 CD PRO A 61 -9.847 -8.108 -7.692 1.00 0.00 C ATOM 0 HA PRO A 61 -9.100 -4.971 -8.172 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.063 -6.728 -8.867 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.514 -6.501 -7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.319 -8.699 -9.085 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.838 -8.817 -7.404 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.457 -8.889 -8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.959 -8.204 -6.612 1.00 0.00 H new ATOM 924 N SER A 62 -9.996 -6.413 -10.805 1.00 0.00 N ATOM 925 CA SER A 62 -10.083 -6.298 -12.256 1.00 0.00 C ATOM 926 C SER A 62 -11.491 -5.897 -12.686 1.00 0.00 C ATOM 927 O SER A 62 -12.460 -6.116 -11.958 1.00 0.00 O ATOM 928 CB SER A 62 -9.693 -7.621 -12.918 1.00 0.00 C ATOM 929 OG SER A 62 -10.752 -8.559 -12.847 1.00 0.00 O ATOM 0 H SER A 62 -10.697 -7.026 -10.388 1.00 0.00 H new ATOM 0 HA SER A 62 -9.389 -5.521 -12.576 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.428 -7.445 -13.961 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.808 -8.029 -12.429 1.00 0.00 H new ATOM 0 HG SER A 62 -10.478 -9.395 -13.279 1.00 0.00 H new ATOM 935 N SER A 63 -11.596 -5.309 -13.873 1.00 0.00 N ATOM 936 CA SER A 63 -12.884 -4.873 -14.400 1.00 0.00 C ATOM 937 C SER A 63 -12.901 -4.948 -15.923 1.00 0.00 C ATOM 938 O SER A 63 -11.860 -4.860 -16.572 1.00 0.00 O ATOM 939 CB SER A 63 -13.188 -3.445 -13.944 1.00 0.00 C ATOM 940 OG SER A 63 -14.267 -2.894 -14.679 1.00 0.00 O ATOM 0 H SER A 63 -10.804 -5.123 -14.489 1.00 0.00 H new ATOM 0 HA SER A 63 -13.653 -5.542 -14.013 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.429 -3.443 -12.881 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.302 -2.823 -14.071 1.00 0.00 H new ATOM 0 HG SER A 63 -14.443 -1.982 -14.368 1.00 0.00 H new ATOM 946 N GLY A 64 -14.094 -5.112 -16.488 1.00 0.00 N ATOM 947 CA GLY A 64 -14.226 -5.196 -17.931 1.00 0.00 C ATOM 948 C GLY A 64 -15.669 -5.108 -18.387 1.00 0.00 C ATOM 949 O GLY A 64 -15.977 -5.374 -19.548 1.00 0.00 O ATOM 0 H GLY A 64 -14.971 -5.188 -15.972 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.653 -4.392 -18.393 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.795 -6.135 -18.278 1.00 0.00 H new TER 953 GLY A 64