USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 591 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 Single : A 2 SER OG : rot -165:sc= 1.26 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -172:sc= 0 (180deg=-0.076) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 1.32 (180deg=1.31) USER MOD Single : A 10 LYS NZ :NH3+ 137:sc= 0.858 (180deg=0.143) USER MOD Single : A 11 TYR OH : rot -28:sc= 0.867 USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= 0.261 (180deg=0.173) USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= 2.52 (180deg=1.53) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 21 SER OG : rot -75:sc= 1.18 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= 0.77 K(o=0.77,f=-4.3!) USER MOD Single : A 37 TYR OH : rot -128:sc= 1.24 USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.278 (180deg=-0.456) USER MOD Single : A 46 MET CE :methyl -117:sc= -0.949 (180deg=-1.01) USER MOD Single : A 48 MET CE :methyl 150:sc= -1.68 (180deg=-3.66!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.773 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.118 F(o=-1,f=-0.12) USER MOD Single : A 61 MET CE :methyl 166:sc= -0.0239 (180deg=-0.308) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.105 F(o=-1.4!,f=-0.1) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= 1.19 (180deg=1.06) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0.658 (180deg=0.653) USER MOD Single : B 12 TYR OH : rot 30:sc= 0.489 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.254 3.578 -5.817 1.00 10.00 N ATOM 9 CA SER A 2 -16.786 4.078 -4.537 1.00 10.00 C ATOM 10 C SER A 2 -16.758 5.596 -4.544 1.00 10.00 C ATOM 11 O SER A 2 -16.425 6.215 -5.557 1.00 10.00 O ATOM 12 CB SER A 2 -15.394 3.537 -4.218 1.00 10.00 C ATOM 13 OG SER A 2 -15.088 3.708 -2.845 1.00 10.00 O ATOM 0 HA SER A 2 -17.477 3.736 -3.767 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.342 2.480 -4.477 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.651 4.052 -4.827 1.00 10.00 H new ATOM 0 HG SER A 2 -14.127 3.578 -2.705 1.00 10.00 H new ATOM 19 N HIS A 3 -17.108 6.188 -3.411 1.00 10.00 N ATOM 20 CA HIS A 3 -17.122 7.633 -3.279 1.00 10.00 C ATOM 21 C HIS A 3 -15.801 8.120 -2.700 1.00 10.00 C ATOM 22 O HIS A 3 -15.597 9.318 -2.511 1.00 10.00 O ATOM 23 CB HIS A 3 -18.277 8.075 -2.377 1.00 10.00 C ATOM 24 CG HIS A 3 -19.635 7.885 -2.985 1.00 10.00 C ATOM 25 ND1 HIS A 3 -20.244 8.881 -3.712 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.460 6.808 -2.935 1.00 10.00 C ATOM 27 CE1 HIS A 3 -21.418 8.393 -4.083 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.589 7.145 -3.633 1.00 10.00 N ATOM 0 H HIS A 3 -17.387 5.685 -2.568 1.00 10.00 H new ATOM 0 HA HIS A 3 -17.260 8.069 -4.268 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.228 7.517 -1.442 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -18.146 9.128 -2.127 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.264 5.868 -2.441 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -22.144 8.933 -4.673 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -22.407 6.555 -3.782 1.00 10.00 H new ATOM 36 N MET A 4 -14.912 7.179 -2.407 1.00 10.00 N ATOM 37 CA MET A 4 -13.609 7.506 -1.846 1.00 10.00 C ATOM 38 C MET A 4 -12.543 7.478 -2.932 1.00 10.00 C ATOM 39 O MET A 4 -12.803 7.056 -4.059 1.00 10.00 O ATOM 40 CB MET A 4 -13.242 6.525 -0.729 1.00 10.00 C ATOM 41 CG MET A 4 -14.215 6.536 0.437 1.00 10.00 C ATOM 42 SD MET A 4 -14.390 8.165 1.195 1.00 10.00 S ATOM 43 CE MET A 4 -12.803 8.344 2.007 1.00 10.00 C ATOM 0 H MET A 4 -15.071 6.182 -2.549 1.00 10.00 H new ATOM 0 HA MET A 4 -13.660 8.511 -1.426 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.196 5.518 -1.143 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.244 6.764 -0.361 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.191 6.195 0.092 1.00 10.00 H new ATOM 0 HG3 MET A 4 -13.878 5.825 1.191 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.814 9.236 2.634 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.610 7.468 2.626 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.019 8.438 1.256 1.00 10.00 H new ATOM 53 N ALA A 5 -11.349 7.935 -2.597 1.00 10.00 N ATOM 54 CA ALA A 5 -10.248 7.956 -3.548 1.00 10.00 C ATOM 55 C ALA A 5 -9.492 6.632 -3.542 1.00 10.00 C ATOM 56 O ALA A 5 -9.428 5.944 -2.520 1.00 10.00 O ATOM 57 CB ALA A 5 -9.305 9.104 -3.236 1.00 10.00 C ATOM 0 H ALA A 5 -11.116 8.297 -1.673 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.664 8.102 -4.545 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.486 9.108 -3.955 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.847 10.048 -3.299 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.904 8.982 -2.230 1.00 10.00 H new ATOM 63 N THR A 6 -8.923 6.281 -4.681 1.00 10.00 N ATOM 64 CA THR A 6 -8.173 5.046 -4.810 1.00 10.00 C ATOM 65 C THR A 6 -6.676 5.329 -4.892 1.00 10.00 C ATOM 66 O THR A 6 -6.255 6.317 -5.499 1.00 10.00 O ATOM 67 CB THR A 6 -8.618 4.267 -6.060 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.298 5.147 -6.969 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.535 3.113 -5.682 1.00 10.00 C ATOM 0 H THR A 6 -8.967 6.838 -5.534 1.00 10.00 H new ATOM 0 HA THR A 6 -8.372 4.442 -3.925 1.00 10.00 H new ATOM 0 HB THR A 6 -7.730 3.860 -6.543 1.00 10.00 H new ATOM 0 HG1 THR A 6 -9.577 4.645 -7.763 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.836 2.578 -6.582 1.00 10.00 H new ATOM 0 HG22 THR A 6 -9.007 2.432 -5.014 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.420 3.502 -5.178 1.00 10.00 H new ATOM 77 N VAL A 7 -5.880 4.479 -4.261 1.00 10.00 N ATOM 78 CA VAL A 7 -4.435 4.639 -4.269 1.00 10.00 C ATOM 79 C VAL A 7 -3.784 3.485 -5.023 1.00 10.00 C ATOM 80 O VAL A 7 -4.021 2.315 -4.712 1.00 10.00 O ATOM 81 CB VAL A 7 -3.857 4.704 -2.838 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.401 5.147 -2.867 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.683 5.639 -1.963 1.00 10.00 C ATOM 0 H VAL A 7 -6.212 3.670 -3.736 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.215 5.582 -4.769 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.904 3.704 -2.407 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.012 5.186 -1.849 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.816 4.437 -3.452 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.330 6.135 -3.321 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.258 5.669 -0.960 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.674 6.641 -2.391 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.710 5.276 -1.911 1.00 10.00 H new ATOM 93 N LYS A 8 -2.989 3.820 -6.029 1.00 10.00 N ATOM 94 CA LYS A 8 -2.306 2.815 -6.825 1.00 10.00 C ATOM 95 C LYS A 8 -0.944 2.481 -6.230 1.00 10.00 C ATOM 96 O LYS A 8 -0.109 3.362 -6.022 1.00 10.00 O ATOM 97 CB LYS A 8 -2.153 3.289 -8.271 1.00 10.00 C ATOM 98 CG LYS A 8 -3.459 3.306 -9.042 1.00 10.00 C ATOM 99 CD LYS A 8 -3.228 3.599 -10.514 1.00 10.00 C ATOM 100 CE LYS A 8 -4.507 3.457 -11.315 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.230 3.155 -12.742 1.00 10.00 N ATOM 0 H LYS A 8 -2.802 4.782 -6.312 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.912 1.909 -6.817 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.726 4.292 -8.273 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.445 2.639 -8.785 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.959 2.344 -8.935 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.123 4.059 -8.619 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.836 4.610 -10.628 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.473 2.918 -10.908 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -5.118 2.663 -10.887 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.085 4.378 -11.243 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -5.126 3.115 -13.269 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -3.625 3.900 -13.143 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.745 2.238 -12.815 1.00 10.00 H new ATOM 115 N PHE A 9 -0.725 1.203 -5.974 1.00 10.00 N ATOM 116 CA PHE A 9 0.527 0.740 -5.394 1.00 10.00 C ATOM 117 C PHE A 9 1.285 -0.140 -6.377 1.00 10.00 C ATOM 118 O PHE A 9 0.687 -0.939 -7.091 1.00 10.00 O ATOM 119 CB PHE A 9 0.265 -0.060 -4.114 1.00 10.00 C ATOM 120 CG PHE A 9 -0.324 0.744 -2.993 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.697 0.841 -2.838 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.498 1.387 -2.085 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.239 1.572 -1.799 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.037 2.120 -1.046 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.408 2.211 -0.900 1.00 10.00 C ATOM 0 H PHE A 9 -1.401 0.462 -6.159 1.00 10.00 H new ATOM 0 HA PHE A 9 1.126 1.620 -5.159 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.408 -0.885 -4.347 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.203 -0.500 -3.776 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.350 0.340 -3.537 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.570 1.314 -2.191 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.311 1.644 -1.690 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.615 2.622 -0.347 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.829 2.781 -0.085 1.00 10.00 H new ATOM 135 N LYS A 10 2.599 0.008 -6.413 1.00 10.00 N ATOM 136 CA LYS A 10 3.430 -0.801 -7.294 1.00 10.00 C ATOM 137 C LYS A 10 3.942 -2.016 -6.525 1.00 10.00 C ATOM 138 O LYS A 10 5.143 -2.178 -6.296 1.00 10.00 O ATOM 139 CB LYS A 10 4.586 0.033 -7.851 1.00 10.00 C ATOM 140 CG LYS A 10 5.304 -0.610 -9.025 1.00 10.00 C ATOM 141 CD LYS A 10 6.238 0.377 -9.702 1.00 10.00 C ATOM 142 CE LYS A 10 7.229 -0.323 -10.617 1.00 10.00 C ATOM 143 NZ LYS A 10 8.258 0.615 -11.143 1.00 10.00 N ATOM 0 H LYS A 10 3.114 0.680 -5.844 1.00 10.00 H new ATOM 0 HA LYS A 10 2.838 -1.147 -8.141 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.202 1.005 -8.161 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.306 0.215 -7.053 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.872 -1.474 -8.679 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.573 -0.977 -9.746 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.654 1.094 -10.279 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.780 0.944 -8.945 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.718 -1.130 -10.072 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.694 -0.779 -11.450 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 9.193 0.162 -11.103 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 8.033 0.860 -12.129 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.267 1.480 -10.565 1.00 10.00 H new ATOM 157 N TYR A 11 3.001 -2.861 -6.133 1.00 10.00 N ATOM 158 CA TYR A 11 3.279 -4.069 -5.367 1.00 10.00 C ATOM 159 C TYR A 11 4.104 -5.065 -6.184 1.00 10.00 C ATOM 160 O TYR A 11 3.568 -5.784 -7.026 1.00 10.00 O ATOM 161 CB TYR A 11 1.942 -4.681 -4.918 1.00 10.00 C ATOM 162 CG TYR A 11 1.996 -6.145 -4.544 1.00 10.00 C ATOM 163 CD1 TYR A 11 2.716 -6.576 -3.443 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.319 -7.093 -5.301 1.00 10.00 C ATOM 165 CE1 TYR A 11 2.764 -7.914 -3.105 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.361 -8.431 -4.971 1.00 10.00 C ATOM 167 CZ TYR A 11 2.083 -8.837 -3.874 1.00 10.00 C ATOM 168 OH TYR A 11 2.127 -10.171 -3.544 1.00 10.00 O ATOM 0 H TYR A 11 2.011 -2.727 -6.339 1.00 10.00 H new ATOM 0 HA TYR A 11 3.875 -3.817 -4.489 1.00 10.00 H new ATOM 0 HB2 TYR A 11 1.572 -4.117 -4.061 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.215 -4.554 -5.720 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.248 -5.855 -2.840 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.750 -6.776 -6.163 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.331 -8.237 -2.244 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.830 -9.156 -5.571 1.00 10.00 H new ATOM 0 HH TYR A 11 2.965 -10.364 -3.074 1.00 10.00 H new ATOM 178 N LYS A 12 5.415 -5.075 -5.942 1.00 10.00 N ATOM 179 CA LYS A 12 6.343 -5.972 -6.638 1.00 10.00 C ATOM 180 C LYS A 12 6.250 -5.789 -8.151 1.00 10.00 C ATOM 181 O LYS A 12 6.563 -6.702 -8.916 1.00 10.00 O ATOM 182 CB LYS A 12 6.060 -7.434 -6.274 1.00 10.00 C ATOM 183 CG LYS A 12 6.135 -7.724 -4.785 1.00 10.00 C ATOM 184 CD LYS A 12 5.674 -9.138 -4.471 1.00 10.00 C ATOM 185 CE LYS A 12 6.816 -10.137 -4.560 1.00 10.00 C ATOM 186 NZ LYS A 12 6.325 -11.537 -4.539 1.00 10.00 N ATOM 0 H LYS A 12 5.864 -4.464 -5.260 1.00 10.00 H new ATOM 0 HA LYS A 12 7.353 -5.717 -6.317 1.00 10.00 H new ATOM 0 HB2 LYS A 12 5.068 -7.703 -6.637 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.774 -8.072 -6.795 1.00 10.00 H new ATOM 0 HG2 LYS A 12 7.159 -7.588 -4.438 1.00 10.00 H new ATOM 0 HG3 LYS A 12 5.517 -7.009 -4.242 1.00 10.00 H new ATOM 0 HD2 LYS A 12 5.244 -9.166 -3.470 1.00 10.00 H new ATOM 0 HD3 LYS A 12 4.885 -9.426 -5.165 1.00 10.00 H new ATOM 0 HE2 LYS A 12 7.381 -9.963 -5.476 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.502 -9.980 -3.728 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 7.119 -12.180 -4.346 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 5.606 -11.642 -3.795 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 5.906 -11.772 -5.461 1.00 10.00 H new ATOM 200 N GLY A 13 5.816 -4.610 -8.575 1.00 10.00 N ATOM 201 CA GLY A 13 5.671 -4.333 -9.990 1.00 10.00 C ATOM 202 C GLY A 13 4.219 -4.385 -10.427 1.00 10.00 C ATOM 203 O GLY A 13 3.841 -3.773 -11.426 1.00 10.00 O ATOM 0 H GLY A 13 5.561 -3.837 -7.961 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.083 -3.348 -10.212 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.250 -5.057 -10.564 1.00 10.00 H new ATOM 207 N GLU A 14 3.411 -5.111 -9.666 1.00 10.00 N ATOM 208 CA GLU A 14 1.991 -5.254 -9.949 1.00 10.00 C ATOM 209 C GLU A 14 1.260 -3.969 -9.583 1.00 10.00 C ATOM 210 O GLU A 14 1.362 -3.488 -8.451 1.00 10.00 O ATOM 211 CB GLU A 14 1.417 -6.441 -9.162 1.00 10.00 C ATOM 212 CG GLU A 14 -0.095 -6.594 -9.265 1.00 10.00 C ATOM 213 CD GLU A 14 -0.639 -7.652 -8.324 1.00 10.00 C ATOM 214 OE1 GLU A 14 -0.217 -8.822 -8.432 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.501 -7.326 -7.480 1.00 10.00 O ATOM 0 H GLU A 14 3.722 -5.616 -8.836 1.00 10.00 H new ATOM 0 HA GLU A 14 1.854 -5.444 -11.014 1.00 10.00 H new ATOM 0 HB2 GLU A 14 1.887 -7.358 -9.517 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.688 -6.330 -8.112 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.569 -5.638 -9.044 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -0.361 -6.853 -10.290 1.00 10.00 H new ATOM 222 N GLU A 15 0.546 -3.405 -10.543 1.00 10.00 N ATOM 223 CA GLU A 15 -0.196 -2.180 -10.308 1.00 10.00 C ATOM 224 C GLU A 15 -1.468 -2.470 -9.515 1.00 10.00 C ATOM 225 O GLU A 15 -2.506 -2.814 -10.082 1.00 10.00 O ATOM 226 CB GLU A 15 -0.545 -1.488 -11.630 1.00 10.00 C ATOM 227 CG GLU A 15 -0.952 -0.030 -11.464 1.00 10.00 C ATOM 228 CD GLU A 15 -1.772 0.487 -12.626 1.00 10.00 C ATOM 229 OE1 GLU A 15 -1.214 0.651 -13.730 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.979 0.748 -12.441 1.00 10.00 O ATOM 0 H GLU A 15 0.465 -3.776 -11.490 1.00 10.00 H new ATOM 0 HA GLU A 15 0.437 -1.510 -9.726 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.315 -1.543 -12.298 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -1.358 -2.031 -12.112 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.526 0.080 -10.544 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.057 0.582 -11.356 1.00 10.00 H new ATOM 237 N LYS A 16 -1.378 -2.341 -8.202 1.00 10.00 N ATOM 238 CA LYS A 16 -2.516 -2.574 -7.334 1.00 10.00 C ATOM 239 C LYS A 16 -3.308 -1.291 -7.155 1.00 10.00 C ATOM 240 O LYS A 16 -2.743 -0.200 -7.179 1.00 10.00 O ATOM 241 CB LYS A 16 -2.061 -3.081 -5.965 1.00 10.00 C ATOM 242 CG LYS A 16 -2.022 -4.592 -5.846 1.00 10.00 C ATOM 243 CD LYS A 16 -2.233 -5.029 -4.407 1.00 10.00 C ATOM 244 CE LYS A 16 -1.907 -6.498 -4.206 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.727 -7.387 -5.067 1.00 10.00 N ATOM 0 H LYS A 16 -0.523 -2.075 -7.713 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.146 -3.332 -7.800 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.068 -2.685 -5.755 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -2.730 -2.684 -5.202 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.793 -5.031 -6.480 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.063 -4.964 -6.206 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.608 -4.425 -3.749 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.268 -4.845 -4.120 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.851 -6.665 -4.419 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.067 -6.762 -3.161 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.852 -8.306 -4.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.657 -6.952 -5.229 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -2.247 -7.527 -5.979 1.00 10.00 H new ATOM 259 N GLN A 17 -4.607 -1.426 -6.982 1.00 10.00 N ATOM 260 CA GLN A 17 -5.479 -0.283 -6.781 1.00 10.00 C ATOM 261 C GLN A 17 -6.343 -0.527 -5.554 1.00 10.00 C ATOM 262 O GLN A 17 -7.336 -1.255 -5.619 1.00 10.00 O ATOM 263 CB GLN A 17 -6.348 -0.050 -8.019 1.00 10.00 C ATOM 264 CG GLN A 17 -7.027 1.308 -8.041 1.00 10.00 C ATOM 265 CD GLN A 17 -7.765 1.579 -9.338 1.00 10.00 C ATOM 266 OE1 GLN A 17 -8.296 0.534 -9.952 1.00 10.00 O flip ATOM 267 NE2 GLN A 17 -7.850 2.720 -9.785 1.00 10.00 N flip ATOM 0 H GLN A 17 -5.088 -2.326 -6.976 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.877 0.612 -6.623 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.729 -0.152 -8.911 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.110 -0.828 -8.069 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.729 1.371 -7.210 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -6.279 2.085 -7.886 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.426 3.498 -9.280 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -8.344 2.889 -10.661 1.00 10.00 H new ATOM 276 N VAL A 18 -5.949 0.057 -4.436 1.00 10.00 N ATOM 277 CA VAL A 18 -6.677 -0.127 -3.188 1.00 10.00 C ATOM 278 C VAL A 18 -7.378 1.156 -2.758 1.00 10.00 C ATOM 279 O VAL A 18 -6.841 2.255 -2.905 1.00 10.00 O ATOM 280 CB VAL A 18 -5.739 -0.608 -2.055 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.512 -0.863 -0.769 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.986 -1.860 -2.482 1.00 10.00 C ATOM 0 H VAL A 18 -5.131 0.662 -4.364 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.430 -0.893 -3.372 1.00 10.00 H new ATOM 0 HB VAL A 18 -5.017 0.184 -1.859 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.825 -1.200 0.008 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.999 0.058 -0.448 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.266 -1.630 -0.944 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.331 -2.184 -1.673 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.698 -2.652 -2.712 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.389 -1.641 -3.367 1.00 10.00 H new ATOM 292 N ASP A 19 -8.592 1.001 -2.251 1.00 10.00 N ATOM 293 CA ASP A 19 -9.391 2.122 -1.780 1.00 10.00 C ATOM 294 C ASP A 19 -8.816 2.656 -0.472 1.00 10.00 C ATOM 295 O ASP A 19 -8.379 1.880 0.378 1.00 10.00 O ATOM 296 CB ASP A 19 -10.838 1.670 -1.575 1.00 10.00 C ATOM 297 CG ASP A 19 -11.800 2.823 -1.373 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.616 3.605 -0.416 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.769 2.925 -2.150 1.00 10.00 O ATOM 0 H ASP A 19 -9.051 0.095 -2.155 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.369 2.919 -2.523 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.156 1.087 -2.440 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.886 1.009 -0.710 1.00 10.00 H new ATOM 304 N ILE A 20 -8.829 3.975 -0.311 1.00 10.00 N ATOM 305 CA ILE A 20 -8.295 4.609 0.892 1.00 10.00 C ATOM 306 C ILE A 20 -9.055 4.179 2.156 1.00 10.00 C ATOM 307 O ILE A 20 -8.474 4.090 3.239 1.00 10.00 O ATOM 308 CB ILE A 20 -8.312 6.154 0.771 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.634 6.802 1.983 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.739 6.670 0.613 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.507 8.306 1.879 1.00 10.00 C ATOM 0 H ILE A 20 -9.204 4.628 -0.999 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.262 4.273 0.985 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.750 6.429 -0.122 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.202 6.556 2.880 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.641 6.370 2.106 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.726 7.757 0.530 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.183 6.243 -0.286 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.329 6.380 1.482 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -7.018 8.693 2.773 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.913 8.561 1.001 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.499 8.749 1.788 1.00 10.00 H new ATOM 323 N SER A 21 -10.338 3.876 2.009 1.00 10.00 N ATOM 324 CA SER A 21 -11.152 3.471 3.148 1.00 10.00 C ATOM 325 C SER A 21 -10.892 2.014 3.525 1.00 10.00 C ATOM 326 O SER A 21 -11.273 1.566 4.606 1.00 10.00 O ATOM 327 CB SER A 21 -12.639 3.679 2.846 1.00 10.00 C ATOM 328 OG SER A 21 -13.023 3.013 1.656 1.00 10.00 O ATOM 0 H SER A 21 -10.835 3.902 1.119 1.00 10.00 H new ATOM 0 HA SER A 21 -10.872 4.097 3.995 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.236 3.310 3.680 1.00 10.00 H new ATOM 0 HB3 SER A 21 -12.847 4.745 2.752 1.00 10.00 H new ATOM 0 HG SER A 21 -12.694 3.513 0.880 1.00 10.00 H new ATOM 334 N LYS A 22 -10.227 1.284 2.640 1.00 10.00 N ATOM 335 CA LYS A 22 -9.928 -0.119 2.888 1.00 10.00 C ATOM 336 C LYS A 22 -8.534 -0.282 3.474 1.00 10.00 C ATOM 337 O LYS A 22 -8.133 -1.384 3.850 1.00 10.00 O ATOM 338 CB LYS A 22 -10.066 -0.925 1.600 1.00 10.00 C ATOM 339 CG LYS A 22 -11.498 -1.016 1.107 1.00 10.00 C ATOM 340 CD LYS A 22 -11.601 -1.841 -0.163 1.00 10.00 C ATOM 341 CE LYS A 22 -12.987 -1.738 -0.779 1.00 10.00 C ATOM 342 NZ LYS A 22 -13.176 -2.700 -1.897 1.00 10.00 N ATOM 0 H LYS A 22 -9.885 1.639 1.747 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.646 -0.498 3.615 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.449 -0.469 0.825 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.680 -1.931 1.764 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -12.122 -1.461 1.882 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.884 -0.014 0.923 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.855 -1.501 -0.882 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -11.376 -2.884 0.059 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.739 -1.923 -0.012 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -13.146 -0.723 -1.144 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -14.134 -2.595 -2.287 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -12.476 -2.508 -2.642 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -13.050 -3.670 -1.545 1.00 10.00 H new ATOM 356 N ILE A 23 -7.795 0.817 3.549 1.00 10.00 N ATOM 357 CA ILE A 23 -6.454 0.791 4.105 1.00 10.00 C ATOM 358 C ILE A 23 -6.535 0.678 5.622 1.00 10.00 C ATOM 359 O ILE A 23 -7.036 1.579 6.296 1.00 10.00 O ATOM 360 CB ILE A 23 -5.649 2.049 3.715 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.474 2.115 2.192 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.293 2.059 4.414 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.800 3.381 1.708 1.00 10.00 C ATOM 0 H ILE A 23 -8.104 1.736 3.231 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.935 -0.075 3.694 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.203 2.930 4.039 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.889 1.255 1.865 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.453 2.032 1.719 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.742 2.954 4.126 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.440 2.056 5.494 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.727 1.174 4.123 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.712 3.354 0.622 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.395 4.245 2.002 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.807 3.457 2.151 1.00 10.00 H new ATOM 375 N LEU A 24 -6.051 -0.434 6.149 1.00 10.00 N ATOM 376 CA LEU A 24 -6.089 -0.680 7.580 1.00 10.00 C ATOM 377 C LEU A 24 -4.956 0.045 8.294 1.00 10.00 C ATOM 378 O LEU A 24 -5.198 0.878 9.165 1.00 10.00 O ATOM 379 CB LEU A 24 -6.011 -2.181 7.867 1.00 10.00 C ATOM 380 CG LEU A 24 -7.153 -3.021 7.287 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.965 -4.490 7.631 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.497 -2.517 7.791 1.00 10.00 C ATOM 0 H LEU A 24 -5.625 -1.184 5.604 1.00 10.00 H new ATOM 0 HA LEU A 24 -7.035 -0.293 7.959 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -5.068 -2.560 7.474 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.988 -2.326 8.947 1.00 10.00 H new ATOM 0 HG LEU A 24 -7.137 -2.921 6.202 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.786 -5.070 7.210 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -6.021 -4.843 7.216 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.953 -4.611 8.714 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.296 -3.126 7.368 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.526 -2.584 8.879 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.633 -1.479 7.488 1.00 10.00 H new ATOM 394 N SER A 25 -3.718 -0.270 7.931 1.00 10.00 N ATOM 395 CA SER A 25 -2.565 0.355 8.563 1.00 10.00 C ATOM 396 C SER A 25 -1.371 0.413 7.615 1.00 10.00 C ATOM 397 O SER A 25 -1.079 -0.553 6.910 1.00 10.00 O ATOM 398 CB SER A 25 -2.181 -0.415 9.832 1.00 10.00 C ATOM 399 OG SER A 25 -3.242 -0.417 10.773 1.00 10.00 O ATOM 0 H SER A 25 -3.489 -0.950 7.207 1.00 10.00 H new ATOM 0 HA SER A 25 -2.841 1.377 8.824 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.920 -1.441 9.573 1.00 10.00 H new ATOM 0 HB3 SER A 25 -1.295 0.036 10.280 1.00 10.00 H new ATOM 0 HG SER A 25 -2.970 -0.916 11.571 1.00 10.00 H new ATOM 405 N VAL A 26 -0.701 1.561 7.594 1.00 10.00 N ATOM 406 CA VAL A 26 0.477 1.753 6.763 1.00 10.00 C ATOM 407 C VAL A 26 1.714 1.819 7.653 1.00 10.00 C ATOM 408 O VAL A 26 1.723 2.548 8.649 1.00 10.00 O ATOM 409 CB VAL A 26 0.373 3.045 5.918 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.656 3.285 5.138 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.822 2.971 4.978 1.00 10.00 C ATOM 0 H VAL A 26 -0.959 2.377 8.149 1.00 10.00 H new ATOM 0 HA VAL A 26 0.552 0.910 6.076 1.00 10.00 H new ATOM 0 HB VAL A 26 0.227 3.886 6.595 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.560 4.199 4.551 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.490 3.386 5.832 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.839 2.443 4.471 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.881 3.888 4.391 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.706 2.118 4.309 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.736 2.854 5.560 1.00 10.00 H new ATOM 421 N GLY A 27 2.734 1.042 7.313 1.00 10.00 N ATOM 422 CA GLY A 27 3.955 1.034 8.090 1.00 10.00 C ATOM 423 C GLY A 27 5.178 1.316 7.238 1.00 10.00 C ATOM 424 O GLY A 27 5.539 0.518 6.368 1.00 10.00 O ATOM 0 H GLY A 27 2.736 0.415 6.509 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.885 1.781 8.881 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.068 0.065 8.576 1.00 10.00 H new ATOM 428 N ARG A 28 5.808 2.456 7.476 1.00 10.00 N ATOM 429 CA ARG A 28 6.997 2.843 6.732 1.00 10.00 C ATOM 430 C ARG A 28 8.233 2.181 7.329 1.00 10.00 C ATOM 431 O ARG A 28 8.558 2.392 8.495 1.00 10.00 O ATOM 432 CB ARG A 28 7.159 4.363 6.745 1.00 10.00 C ATOM 433 CG ARG A 28 8.306 4.859 5.883 1.00 10.00 C ATOM 434 CD ARG A 28 8.378 6.377 5.861 1.00 10.00 C ATOM 435 NE ARG A 28 9.432 6.864 4.971 1.00 10.00 N ATOM 436 CZ ARG A 28 10.606 7.335 5.384 1.00 10.00 C ATOM 437 NH1 ARG A 28 10.886 7.404 6.679 1.00 10.00 N ATOM 438 NH2 ARG A 28 11.505 7.739 4.494 1.00 10.00 N ATOM 0 H ARG A 28 5.514 3.132 8.181 1.00 10.00 H new ATOM 0 HA ARG A 28 6.884 2.510 5.700 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.232 4.822 6.401 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.317 4.694 7.771 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.246 4.456 6.261 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.185 4.486 4.866 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.418 6.781 5.540 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.557 6.746 6.871 1.00 10.00 H new ATOM 0 HE ARG A 28 9.255 6.841 3.967 1.00 10.00 H new ATOM 0 HH11 ARG A 28 10.199 7.095 7.367 1.00 10.00 H new ATOM 0 HH12 ARG A 28 11.788 7.766 6.987 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.295 7.688 3.497 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.406 8.101 4.807 1.00 10.00 H new ATOM 452 N TYR A 29 8.903 1.365 6.527 1.00 10.00 N ATOM 453 CA TYR A 29 10.110 0.669 6.965 1.00 10.00 C ATOM 454 C TYR A 29 11.349 1.361 6.413 1.00 10.00 C ATOM 455 O TYR A 29 12.460 0.841 6.504 1.00 10.00 O ATOM 456 CB TYR A 29 10.083 -0.792 6.503 1.00 10.00 C ATOM 457 CG TYR A 29 9.616 -1.757 7.567 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.266 -1.902 7.859 1.00 10.00 C ATOM 459 CD2 TYR A 29 10.530 -2.526 8.277 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.838 -2.784 8.834 1.00 10.00 C ATOM 461 CE2 TYR A 29 10.112 -3.412 9.253 1.00 10.00 C ATOM 462 CZ TYR A 29 8.765 -3.541 9.528 1.00 10.00 C ATOM 463 OH TYR A 29 8.342 -4.422 10.499 1.00 10.00 O ATOM 0 H TYR A 29 8.631 1.167 5.564 1.00 10.00 H new ATOM 0 HA TYR A 29 10.144 0.694 8.054 1.00 10.00 H new ATOM 0 HB2 TYR A 29 9.429 -0.877 5.635 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.083 -1.080 6.178 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.539 -1.317 7.316 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.584 -2.430 8.063 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.785 -2.882 9.053 1.00 10.00 H new ATOM 0 HE2 TYR A 29 10.836 -4.000 9.798 1.00 10.00 H new ATOM 0 HH TYR A 29 9.118 -4.876 10.889 1.00 10.00 H new ATOM 473 N GLY A 30 11.145 2.541 5.853 1.00 10.00 N ATOM 474 CA GLY A 30 12.235 3.295 5.279 1.00 10.00 C ATOM 475 C GLY A 30 12.014 3.523 3.804 1.00 10.00 C ATOM 476 O GLY A 30 11.113 4.266 3.422 1.00 10.00 O ATOM 0 H GLY A 30 10.233 2.994 5.786 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.328 4.254 5.789 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.173 2.760 5.432 1.00 10.00 H new ATOM 480 N LYS A 31 12.815 2.868 2.976 1.00 10.00 N ATOM 481 CA LYS A 31 12.683 2.994 1.530 1.00 10.00 C ATOM 482 C LYS A 31 11.553 2.106 1.027 1.00 10.00 C ATOM 483 O LYS A 31 11.012 2.318 -0.056 1.00 10.00 O ATOM 484 CB LYS A 31 13.997 2.629 0.834 1.00 10.00 C ATOM 485 CG LYS A 31 15.084 3.679 0.998 1.00 10.00 C ATOM 486 CD LYS A 31 14.705 4.992 0.327 1.00 10.00 C ATOM 487 CE LYS A 31 15.782 6.046 0.519 1.00 10.00 C ATOM 488 NZ LYS A 31 15.293 7.410 0.183 1.00 10.00 N ATOM 0 H LYS A 31 13.563 2.244 3.279 1.00 10.00 H new ATOM 0 HA LYS A 31 12.447 4.031 1.293 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.357 1.680 1.231 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.806 2.478 -0.229 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.266 3.852 2.059 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.016 3.308 0.571 1.00 10.00 H new ATOM 0 HD2 LYS A 31 14.544 4.824 -0.738 1.00 10.00 H new ATOM 0 HD3 LYS A 31 13.763 5.354 0.739 1.00 10.00 H new ATOM 0 HE2 LYS A 31 16.126 6.029 1.553 1.00 10.00 H new ATOM 0 HE3 LYS A 31 16.641 5.805 -0.107 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 16.059 8.099 0.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.989 7.435 -0.811 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 14.489 7.652 0.797 1.00 10.00 H new ATOM 502 N LEU A 32 11.210 1.105 1.826 1.00 10.00 N ATOM 503 CA LEU A 32 10.137 0.189 1.484 1.00 10.00 C ATOM 504 C LEU A 32 8.973 0.395 2.447 1.00 10.00 C ATOM 505 O LEU A 32 9.151 0.364 3.665 1.00 10.00 O ATOM 506 CB LEU A 32 10.622 -1.266 1.542 1.00 10.00 C ATOM 507 CG LEU A 32 11.211 -1.831 0.240 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.783 -3.221 0.479 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.157 -1.871 -0.856 1.00 10.00 C ATOM 0 H LEU A 32 11.663 0.908 2.719 1.00 10.00 H new ATOM 0 HA LEU A 32 9.809 0.394 0.465 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.377 -1.346 2.324 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.785 -1.896 1.842 1.00 10.00 H new ATOM 0 HG LEU A 32 12.017 -1.173 -0.086 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.197 -3.609 -0.452 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.570 -3.166 1.231 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.992 -3.885 0.829 1.00 10.00 H new ATOM 0 HD21 LEU A 32 10.596 -2.274 -1.768 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.328 -2.505 -0.541 1.00 10.00 H new ATOM 0 HD23 LEU A 32 9.790 -0.862 -1.045 1.00 10.00 H new ATOM 521 N ILE A 33 7.791 0.629 1.902 1.00 10.00 N ATOM 522 CA ILE A 33 6.604 0.844 2.713 1.00 10.00 C ATOM 523 C ILE A 33 5.635 -0.321 2.563 1.00 10.00 C ATOM 524 O ILE A 33 5.252 -0.681 1.450 1.00 10.00 O ATOM 525 CB ILE A 33 5.888 2.156 2.330 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.863 3.333 2.415 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.691 2.394 3.240 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.306 4.626 1.863 1.00 10.00 C ATOM 0 H ILE A 33 7.627 0.675 0.896 1.00 10.00 H new ATOM 0 HA ILE A 33 6.930 0.916 3.751 1.00 10.00 H new ATOM 0 HB ILE A 33 5.530 2.071 1.304 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.145 3.485 3.457 1.00 10.00 H new ATOM 0 HG13 ILE A 33 7.773 3.079 1.872 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.197 3.323 2.956 1.00 10.00 H new ATOM 0 HG22 ILE A 33 3.989 1.566 3.142 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.028 2.463 4.274 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.053 5.414 1.957 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.050 4.493 0.812 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.412 4.905 2.421 1.00 10.00 H new ATOM 540 N HIS A 34 5.252 -0.905 3.685 1.00 10.00 N ATOM 541 CA HIS A 34 4.326 -2.027 3.699 1.00 10.00 C ATOM 542 C HIS A 34 3.018 -1.596 4.359 1.00 10.00 C ATOM 543 O HIS A 34 3.031 -0.866 5.349 1.00 10.00 O ATOM 544 CB HIS A 34 4.967 -3.215 4.441 1.00 10.00 C ATOM 545 CG HIS A 34 3.995 -4.217 5.004 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.600 -5.367 4.355 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.341 -4.222 6.196 1.00 10.00 C ATOM 548 CE1 HIS A 34 2.741 -6.015 5.151 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.550 -5.361 6.282 1.00 10.00 N ATOM 0 H HIS A 34 5.572 -0.617 4.610 1.00 10.00 H new ATOM 0 HA HIS A 34 4.105 -2.345 2.680 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.640 -3.731 3.756 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.578 -2.827 5.256 1.00 10.00 H new ATOM 0 HD1 HIS A 34 3.908 -5.671 3.431 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.423 -3.460 6.957 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.266 -6.952 4.901 1.00 10.00 H new ATOM 557 N PHE A 35 1.898 -2.037 3.813 1.00 10.00 N ATOM 558 CA PHE A 35 0.604 -1.685 4.370 1.00 10.00 C ATOM 559 C PHE A 35 -0.365 -2.855 4.272 1.00 10.00 C ATOM 560 O PHE A 35 -0.226 -3.718 3.403 1.00 10.00 O ATOM 561 CB PHE A 35 0.025 -0.450 3.661 1.00 10.00 C ATOM 562 CG PHE A 35 -0.770 -0.756 2.418 1.00 10.00 C ATOM 563 CD1 PHE A 35 -2.137 -0.526 2.383 1.00 10.00 C ATOM 564 CD2 PHE A 35 -0.153 -1.264 1.288 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.869 -0.799 1.244 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.882 -1.539 0.148 1.00 10.00 C ATOM 567 CZ PHE A 35 -2.240 -1.306 0.127 1.00 10.00 C ATOM 0 H PHE A 35 1.858 -2.636 2.989 1.00 10.00 H new ATOM 0 HA PHE A 35 0.745 -1.444 5.424 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.613 0.089 4.361 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.844 0.219 3.397 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.635 -0.129 3.256 1.00 10.00 H new ATOM 0 HD2 PHE A 35 0.911 -1.447 1.298 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.933 -0.615 1.228 1.00 10.00 H new ATOM 0 HE2 PHE A 35 -0.388 -1.936 -0.726 1.00 10.00 H new ATOM 0 HZ PHE A 35 -2.811 -1.520 -0.764 1.00 10.00 H new ATOM 577 N LEU A 36 -1.331 -2.875 5.177 1.00 10.00 N ATOM 578 CA LEU A 36 -2.343 -3.917 5.208 1.00 10.00 C ATOM 579 C LEU A 36 -3.693 -3.321 4.838 1.00 10.00 C ATOM 580 O LEU A 36 -4.024 -2.215 5.272 1.00 10.00 O ATOM 581 CB LEU A 36 -2.409 -4.545 6.604 1.00 10.00 C ATOM 582 CG LEU A 36 -1.108 -5.187 7.090 1.00 10.00 C ATOM 583 CD1 LEU A 36 -1.045 -5.186 8.608 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.980 -6.603 6.555 1.00 10.00 C ATOM 0 H LEU A 36 -1.435 -2.171 5.908 1.00 10.00 H new ATOM 0 HA LEU A 36 -2.083 -4.694 4.489 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.705 -3.776 7.318 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -3.193 -5.302 6.608 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.273 -4.597 6.711 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.112 -5.647 8.934 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.090 -4.160 8.973 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.887 -5.751 9.007 1.00 10.00 H new ATOM 0 HD21 LEU A 36 -0.049 -7.044 6.911 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.821 -7.201 6.904 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.978 -6.581 5.465 1.00 10.00 H new ATOM 596 N TYR A 37 -4.469 -4.031 4.033 1.00 10.00 N ATOM 597 CA TYR A 37 -5.774 -3.531 3.628 1.00 10.00 C ATOM 598 C TYR A 37 -6.844 -4.612 3.710 1.00 10.00 C ATOM 599 O TYR A 37 -6.565 -5.799 3.538 1.00 10.00 O ATOM 600 CB TYR A 37 -5.721 -2.918 2.221 1.00 10.00 C ATOM 601 CG TYR A 37 -5.396 -3.883 1.095 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.410 -4.500 0.372 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.082 -4.156 0.737 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.123 -5.361 -0.670 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.787 -5.019 -0.304 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.811 -5.617 -1.004 1.00 10.00 C ATOM 607 OH TYR A 37 -4.522 -6.470 -2.046 1.00 10.00 O ATOM 0 H TYR A 37 -4.222 -4.944 3.651 1.00 10.00 H new ATOM 0 HA TYR A 37 -6.049 -2.744 4.330 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.684 -2.454 2.010 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.976 -2.122 2.219 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.440 -4.303 0.629 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.276 -3.686 1.281 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.924 -5.832 -1.221 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.759 -5.222 -0.566 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.891 -7.155 -1.742 1.00 10.00 H new ATOM 617 N ASP A 38 -8.068 -4.179 3.978 1.00 10.00 N ATOM 618 CA ASP A 38 -9.212 -5.077 4.102 1.00 10.00 C ATOM 619 C ASP A 38 -9.644 -5.599 2.736 1.00 10.00 C ATOM 620 O ASP A 38 -10.175 -4.854 1.912 1.00 10.00 O ATOM 621 CB ASP A 38 -10.378 -4.346 4.780 1.00 10.00 C ATOM 622 CG ASP A 38 -11.629 -5.198 4.894 1.00 10.00 C ATOM 623 OD1 ASP A 38 -11.593 -6.226 5.606 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.663 -4.828 4.297 1.00 10.00 O ATOM 0 H ASP A 38 -8.298 -3.195 4.116 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.917 -5.929 4.715 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -10.070 -4.028 5.776 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.611 -3.443 4.215 1.00 10.00 H new ATOM 629 N LEU A 39 -9.397 -6.880 2.494 1.00 10.00 N ATOM 630 CA LEU A 39 -9.760 -7.502 1.231 1.00 10.00 C ATOM 631 C LEU A 39 -11.211 -7.961 1.253 1.00 10.00 C ATOM 632 O LEU A 39 -11.975 -7.695 0.324 1.00 10.00 O ATOM 633 CB LEU A 39 -8.842 -8.690 0.943 1.00 10.00 C ATOM 634 CG LEU A 39 -7.715 -8.416 -0.053 1.00 10.00 C ATOM 635 CD1 LEU A 39 -6.665 -9.512 0.011 1.00 10.00 C ATOM 636 CD2 LEU A 39 -8.265 -8.289 -1.466 1.00 10.00 C ATOM 0 H LEU A 39 -8.946 -7.508 3.159 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.643 -6.761 0.440 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.402 -9.024 1.882 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.448 -9.513 0.564 1.00 10.00 H new ATOM 0 HG LEU A 39 -7.244 -7.471 0.219 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -5.872 -9.298 -0.705 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.245 -9.555 1.016 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.124 -10.470 -0.231 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -7.446 -8.094 -2.159 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -8.765 -9.216 -1.747 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -8.978 -7.466 -1.506 1.00 10.00 H new ATOM 648 N GLY A 40 -11.584 -8.641 2.321 1.00 10.00 N ATOM 649 CA GLY A 40 -12.938 -9.133 2.446 1.00 10.00 C ATOM 650 C GLY A 40 -12.975 -10.631 2.656 1.00 10.00 C ATOM 651 O GLY A 40 -12.198 -11.371 2.049 1.00 10.00 O ATOM 0 H GLY A 40 -10.973 -8.863 3.107 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.429 -8.637 3.283 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.502 -8.878 1.549 1.00 10.00 H new ATOM 655 N GLY A 41 -13.871 -11.084 3.518 1.00 10.00 N ATOM 656 CA GLY A 41 -13.985 -12.501 3.790 1.00 10.00 C ATOM 657 C GLY A 41 -13.211 -12.913 5.024 1.00 10.00 C ATOM 658 O GLY A 41 -13.127 -14.097 5.349 1.00 10.00 O ATOM 0 H GLY A 41 -14.523 -10.494 4.035 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.036 -12.761 3.919 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.621 -13.064 2.931 1.00 10.00 H new ATOM 662 N GLY A 42 -12.634 -11.935 5.707 1.00 10.00 N ATOM 663 CA GLY A 42 -11.877 -12.219 6.905 1.00 10.00 C ATOM 664 C GLY A 42 -10.397 -11.953 6.738 1.00 10.00 C ATOM 665 O GLY A 42 -9.774 -11.330 7.600 1.00 10.00 O ATOM 0 H GLY A 42 -12.678 -10.949 5.451 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.261 -11.612 7.725 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.025 -13.262 7.185 1.00 10.00 H new ATOM 669 N LYS A 43 -9.829 -12.420 5.632 1.00 10.00 N ATOM 670 CA LYS A 43 -8.407 -12.227 5.381 1.00 10.00 C ATOM 671 C LYS A 43 -8.136 -10.854 4.780 1.00 10.00 C ATOM 672 O LYS A 43 -8.976 -10.287 4.078 1.00 10.00 O ATOM 673 CB LYS A 43 -7.839 -13.335 4.479 1.00 10.00 C ATOM 674 CG LYS A 43 -8.381 -13.347 3.056 1.00 10.00 C ATOM 675 CD LYS A 43 -9.264 -14.562 2.805 1.00 10.00 C ATOM 676 CE LYS A 43 -8.456 -15.757 2.316 1.00 10.00 C ATOM 677 NZ LYS A 43 -7.476 -16.237 3.329 1.00 10.00 N ATOM 0 H LYS A 43 -10.326 -12.930 4.902 1.00 10.00 H new ATOM 0 HA LYS A 43 -7.897 -12.284 6.343 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -6.755 -13.229 4.438 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -8.048 -14.301 4.940 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -8.953 -12.437 2.876 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -7.551 -13.347 2.349 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -9.786 -14.828 3.724 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.026 -14.312 2.067 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -9.135 -16.570 2.059 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -7.926 -15.484 1.404 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -7.074 -17.145 3.020 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -6.713 -15.538 3.432 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -7.955 -16.363 4.243 1.00 10.00 H new ATOM 691 N ALA A 44 -6.961 -10.324 5.073 1.00 10.00 N ATOM 692 CA ALA A 44 -6.559 -9.020 4.582 1.00 10.00 C ATOM 693 C ALA A 44 -5.439 -9.158 3.562 1.00 10.00 C ATOM 694 O ALA A 44 -4.857 -10.232 3.411 1.00 10.00 O ATOM 695 CB ALA A 44 -6.122 -8.135 5.738 1.00 10.00 C ATOM 0 H ALA A 44 -6.262 -10.785 5.656 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.413 -8.553 4.092 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -5.823 -7.159 5.356 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -6.950 -8.013 6.436 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.279 -8.597 6.252 1.00 10.00 H new ATOM 701 N GLY A 45 -5.151 -8.074 2.862 1.00 10.00 N ATOM 702 CA GLY A 45 -4.100 -8.085 1.866 1.00 10.00 C ATOM 703 C GLY A 45 -2.949 -7.190 2.266 1.00 10.00 C ATOM 704 O GLY A 45 -3.054 -6.446 3.244 1.00 10.00 O ATOM 0 H GLY A 45 -5.630 -7.179 2.966 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.739 -9.104 1.728 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.502 -7.756 0.908 1.00 10.00 H new ATOM 708 N MET A 46 -1.867 -7.232 1.505 1.00 10.00 N ATOM 709 CA MET A 46 -0.697 -6.423 1.812 1.00 10.00 C ATOM 710 C MET A 46 0.106 -6.138 0.554 1.00 10.00 C ATOM 711 O MET A 46 0.253 -7.002 -0.312 1.00 10.00 O ATOM 712 CB MET A 46 0.182 -7.120 2.859 1.00 10.00 C ATOM 713 CG MET A 46 0.668 -8.502 2.446 1.00 10.00 C ATOM 714 SD MET A 46 1.353 -9.435 3.827 1.00 10.00 S ATOM 715 CE MET A 46 1.916 -10.913 2.988 1.00 10.00 C ATOM 0 H MET A 46 -1.774 -7.815 0.673 1.00 10.00 H new ATOM 0 HA MET A 46 -1.040 -5.474 2.224 1.00 10.00 H new ATOM 0 HB2 MET A 46 1.047 -6.490 3.068 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.380 -7.208 3.789 1.00 10.00 H new ATOM 0 HG2 MET A 46 -0.161 -9.060 2.011 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.426 -8.400 1.669 1.00 10.00 H new ATOM 0 HE1 MET A 46 1.367 -11.776 3.364 1.00 10.00 H new ATOM 0 HE2 MET A 46 1.743 -10.811 1.917 1.00 10.00 H new ATOM 0 HE3 MET A 46 2.981 -11.052 3.172 1.00 10.00 H new ATOM 725 N GLY A 47 0.613 -4.919 0.453 1.00 10.00 N ATOM 726 CA GLY A 47 1.396 -4.532 -0.700 1.00 10.00 C ATOM 727 C GLY A 47 2.553 -3.631 -0.326 1.00 10.00 C ATOM 728 O GLY A 47 2.351 -2.511 0.137 1.00 10.00 O ATOM 0 H GLY A 47 0.495 -4.187 1.154 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.778 -5.425 -1.195 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.755 -4.019 -1.417 1.00 10.00 H new ATOM 732 N MET A 48 3.765 -4.122 -0.514 1.00 10.00 N ATOM 733 CA MET A 48 4.956 -3.351 -0.194 1.00 10.00 C ATOM 734 C MET A 48 5.465 -2.615 -1.433 1.00 10.00 C ATOM 735 O MET A 48 5.681 -3.223 -2.482 1.00 10.00 O ATOM 736 CB MET A 48 6.037 -4.276 0.364 1.00 10.00 C ATOM 737 CG MET A 48 7.127 -3.553 1.133 1.00 10.00 C ATOM 738 SD MET A 48 8.058 -4.644 2.230 1.00 10.00 S ATOM 739 CE MET A 48 8.566 -5.929 1.090 1.00 10.00 C ATOM 0 H MET A 48 3.952 -5.053 -0.887 1.00 10.00 H new ATOM 0 HA MET A 48 4.704 -2.608 0.563 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.570 -5.011 1.019 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.491 -4.827 -0.460 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.813 -3.085 0.427 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.679 -2.752 1.721 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.517 -6.350 1.417 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.810 -6.714 1.066 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.681 -5.506 0.092 1.00 10.00 H new ATOM 749 N VAL A 49 5.643 -1.306 -1.308 1.00 10.00 N ATOM 750 CA VAL A 49 6.115 -0.479 -2.415 1.00 10.00 C ATOM 751 C VAL A 49 7.267 0.421 -1.957 1.00 10.00 C ATOM 752 O VAL A 49 7.435 0.657 -0.759 1.00 10.00 O ATOM 753 CB VAL A 49 4.961 0.386 -2.989 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.551 1.478 -2.012 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.342 0.985 -4.335 1.00 10.00 C ATOM 0 H VAL A 49 5.467 -0.790 -0.446 1.00 10.00 H new ATOM 0 HA VAL A 49 6.475 -1.141 -3.202 1.00 10.00 H new ATOM 0 HB VAL A 49 4.104 -0.270 -3.140 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.741 2.066 -2.443 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.214 1.024 -1.080 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.404 2.126 -1.812 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.515 1.586 -4.713 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.224 1.615 -4.216 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.561 0.184 -5.041 1.00 10.00 H new ATOM 765 N SER A 50 8.068 0.901 -2.897 1.00 10.00 N ATOM 766 CA SER A 50 9.188 1.769 -2.566 1.00 10.00 C ATOM 767 C SER A 50 8.759 3.236 -2.595 1.00 10.00 C ATOM 768 O SER A 50 7.758 3.592 -3.226 1.00 10.00 O ATOM 769 CB SER A 50 10.346 1.529 -3.535 1.00 10.00 C ATOM 770 OG SER A 50 9.969 1.821 -4.869 1.00 10.00 O ATOM 0 H SER A 50 7.964 0.705 -3.892 1.00 10.00 H new ATOM 0 HA SER A 50 9.524 1.533 -1.556 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.196 2.150 -3.251 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.672 0.491 -3.466 1.00 10.00 H new ATOM 0 HG SER A 50 10.729 1.660 -5.466 1.00 10.00 H new ATOM 776 N GLU A 51 9.527 4.086 -1.924 1.00 10.00 N ATOM 777 CA GLU A 51 9.228 5.513 -1.859 1.00 10.00 C ATOM 778 C GLU A 51 9.450 6.195 -3.205 1.00 10.00 C ATOM 779 O GLU A 51 8.767 7.164 -3.536 1.00 10.00 O ATOM 780 CB GLU A 51 10.092 6.199 -0.800 1.00 10.00 C ATOM 781 CG GLU A 51 9.797 5.756 0.620 1.00 10.00 C ATOM 782 CD GLU A 51 10.214 6.792 1.642 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.430 7.038 1.791 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.332 7.377 2.299 1.00 10.00 O ATOM 0 H GLU A 51 10.366 3.810 -1.414 1.00 10.00 H new ATOM 0 HA GLU A 51 8.176 5.607 -1.589 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.141 6.003 -1.020 1.00 10.00 H new ATOM 0 HB3 GLU A 51 9.947 7.277 -0.871 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.730 5.557 0.722 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.317 4.820 0.822 1.00 10.00 H new ATOM 791 N LYS A 52 10.413 5.700 -3.975 1.00 10.00 N ATOM 792 CA LYS A 52 10.720 6.284 -5.275 1.00 10.00 C ATOM 793 C LYS A 52 9.634 5.957 -6.293 1.00 10.00 C ATOM 794 O LYS A 52 9.293 6.792 -7.133 1.00 10.00 O ATOM 795 CB LYS A 52 12.081 5.800 -5.778 1.00 10.00 C ATOM 796 CG LYS A 52 13.244 6.279 -4.924 1.00 10.00 C ATOM 797 CD LYS A 52 14.583 5.923 -5.547 1.00 10.00 C ATOM 798 CE LYS A 52 15.741 6.433 -4.701 1.00 10.00 C ATOM 799 NZ LYS A 52 17.058 6.180 -5.341 1.00 10.00 N ATOM 0 H LYS A 52 10.992 4.899 -3.723 1.00 10.00 H new ATOM 0 HA LYS A 52 10.759 7.366 -5.153 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.084 4.710 -5.805 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.225 6.144 -6.802 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.179 7.359 -4.794 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.174 5.833 -3.932 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.659 4.841 -5.657 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.646 6.350 -6.548 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.621 7.503 -4.531 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.715 5.950 -3.724 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.817 6.544 -4.730 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.186 5.157 -5.480 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.095 6.662 -6.262 1.00 10.00 H new ATOM 813 N ASP A 53 9.085 4.749 -6.209 1.00 10.00 N ATOM 814 CA ASP A 53 8.039 4.321 -7.134 1.00 10.00 C ATOM 815 C ASP A 53 6.715 5.013 -6.833 1.00 10.00 C ATOM 816 O ASP A 53 5.980 5.392 -7.745 1.00 10.00 O ATOM 817 CB ASP A 53 7.845 2.806 -7.077 1.00 10.00 C ATOM 818 CG ASP A 53 8.620 2.074 -8.153 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.843 2.651 -9.239 1.00 10.00 O ATOM 820 OD2 ASP A 53 8.995 0.906 -7.928 1.00 10.00 O ATOM 0 H ASP A 53 9.345 4.051 -5.513 1.00 10.00 H new ATOM 0 HA ASP A 53 8.362 4.603 -8.136 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.157 2.441 -6.099 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.784 2.576 -7.179 1.00 10.00 H new ATOM 825 N ALA A 54 6.415 5.169 -5.553 1.00 10.00 N ATOM 826 CA ALA A 54 5.179 5.814 -5.132 1.00 10.00 C ATOM 827 C ALA A 54 5.250 7.333 -5.319 1.00 10.00 C ATOM 828 O ALA A 54 6.214 7.975 -4.899 1.00 10.00 O ATOM 829 CB ALA A 54 4.883 5.474 -3.681 1.00 10.00 C ATOM 0 H ALA A 54 7.011 4.858 -4.786 1.00 10.00 H new ATOM 0 HA ALA A 54 4.371 5.439 -5.760 1.00 10.00 H new ATOM 0 HB1 ALA A 54 3.957 5.961 -3.375 1.00 10.00 H new ATOM 0 HB2 ALA A 54 4.778 4.394 -3.574 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.701 5.823 -3.051 1.00 10.00 H new ATOM 835 N PRO A 55 4.240 7.926 -5.984 1.00 10.00 N ATOM 836 CA PRO A 55 4.188 9.378 -6.215 1.00 10.00 C ATOM 837 C PRO A 55 4.191 10.165 -4.904 1.00 10.00 C ATOM 838 O PRO A 55 3.658 9.706 -3.893 1.00 10.00 O ATOM 839 CB PRO A 55 2.865 9.582 -6.963 1.00 10.00 C ATOM 840 CG PRO A 55 2.527 8.250 -7.532 1.00 10.00 C ATOM 841 CD PRO A 55 3.087 7.233 -6.578 1.00 10.00 C ATOM 0 HA PRO A 55 5.056 9.735 -6.769 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.082 9.932 -6.290 1.00 10.00 H new ATOM 0 HB3 PRO A 55 2.969 10.331 -7.748 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.448 8.133 -7.636 1.00 10.00 H new ATOM 0 HG3 PRO A 55 2.958 8.130 -8.526 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.357 6.946 -5.822 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.388 6.321 -7.093 1.00 10.00 H new ATOM 849 N LYS A 56 4.774 11.359 -4.937 1.00 10.00 N ATOM 850 CA LYS A 56 4.869 12.213 -3.754 1.00 10.00 C ATOM 851 C LYS A 56 3.488 12.552 -3.190 1.00 10.00 C ATOM 852 O LYS A 56 3.304 12.614 -1.972 1.00 10.00 O ATOM 853 CB LYS A 56 5.632 13.495 -4.097 1.00 10.00 C ATOM 854 CG LYS A 56 7.055 13.243 -4.568 1.00 10.00 C ATOM 855 CD LYS A 56 7.659 14.479 -5.215 1.00 10.00 C ATOM 856 CE LYS A 56 9.052 14.189 -5.744 1.00 10.00 C ATOM 857 NZ LYS A 56 9.564 15.277 -6.616 1.00 10.00 N ATOM 0 H LYS A 56 5.191 11.761 -5.776 1.00 10.00 H new ATOM 0 HA LYS A 56 5.412 11.663 -2.985 1.00 10.00 H new ATOM 0 HB2 LYS A 56 5.090 14.035 -4.874 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.657 14.140 -3.219 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.670 12.938 -3.721 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.062 12.418 -5.281 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.019 14.817 -6.030 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.703 15.290 -4.488 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.734 14.048 -4.906 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.038 13.254 -6.304 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.517 15.033 -6.952 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 8.929 15.396 -7.431 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.604 16.165 -6.076 1.00 10.00 H new ATOM 871 N GLU A 57 2.522 12.758 -4.074 1.00 10.00 N ATOM 872 CA GLU A 57 1.163 13.082 -3.659 1.00 10.00 C ATOM 873 C GLU A 57 0.540 11.920 -2.889 1.00 10.00 C ATOM 874 O GLU A 57 -0.071 12.115 -1.834 1.00 10.00 O ATOM 875 CB GLU A 57 0.305 13.420 -4.875 1.00 10.00 C ATOM 876 CG GLU A 57 -1.116 13.814 -4.521 1.00 10.00 C ATOM 877 CD GLU A 57 -1.842 14.438 -5.687 1.00 10.00 C ATOM 878 OE1 GLU A 57 -2.563 13.713 -6.401 1.00 10.00 O ATOM 879 OE2 GLU A 57 -1.687 15.657 -5.903 1.00 10.00 O ATOM 0 H GLU A 57 2.654 12.707 -5.084 1.00 10.00 H new ATOM 0 HA GLU A 57 1.206 13.950 -3.001 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.774 14.236 -5.425 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.279 12.559 -5.543 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.662 12.933 -4.185 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.100 14.516 -3.688 1.00 10.00 H new ATOM 886 N LEU A 58 0.709 10.711 -3.415 1.00 10.00 N ATOM 887 CA LEU A 58 0.164 9.518 -2.776 1.00 10.00 C ATOM 888 C LEU A 58 0.946 9.197 -1.510 1.00 10.00 C ATOM 889 O LEU A 58 0.400 8.659 -0.549 1.00 10.00 O ATOM 890 CB LEU A 58 0.198 8.318 -3.730 1.00 10.00 C ATOM 891 CG LEU A 58 -0.621 8.474 -5.015 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.641 7.170 -5.795 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.040 8.922 -4.697 1.00 10.00 C ATOM 0 H LEU A 58 1.218 10.531 -4.280 1.00 10.00 H new ATOM 0 HA LEU A 58 -0.875 9.719 -2.515 1.00 10.00 H new ATOM 0 HB2 LEU A 58 1.235 8.122 -4.002 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.163 7.440 -3.194 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.148 9.240 -5.630 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.227 7.299 -6.705 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.378 6.887 -6.057 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -1.089 6.387 -5.183 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.605 9.027 -5.623 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.522 8.180 -4.060 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.011 9.881 -4.179 1.00 10.00 H new ATOM 905 N LEU A 59 2.229 9.537 -1.522 1.00 10.00 N ATOM 906 CA LEU A 59 3.105 9.308 -0.382 1.00 10.00 C ATOM 907 C LEU A 59 2.597 10.082 0.828 1.00 10.00 C ATOM 908 O LEU A 59 2.595 9.577 1.948 1.00 10.00 O ATOM 909 CB LEU A 59 4.534 9.737 -0.723 1.00 10.00 C ATOM 910 CG LEU A 59 5.636 8.978 0.013 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.685 7.528 -0.444 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.980 9.650 -0.208 1.00 10.00 C ATOM 0 H LEU A 59 2.689 9.977 -2.319 1.00 10.00 H new ATOM 0 HA LEU A 59 3.107 8.244 -0.144 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.686 9.616 -1.796 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.639 10.800 -0.504 1.00 10.00 H new ATOM 0 HG LEU A 59 5.411 8.994 1.079 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.476 7.004 0.092 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.728 7.049 -0.237 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.886 7.491 -1.515 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.755 9.097 0.323 1.00 10.00 H new ATOM 0 HD22 LEU A 59 7.209 9.663 -1.274 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.942 10.672 0.168 1.00 10.00 H new ATOM 924 N GLN A 60 2.148 11.309 0.585 1.00 10.00 N ATOM 925 CA GLN A 60 1.617 12.155 1.648 1.00 10.00 C ATOM 926 C GLN A 60 0.325 11.555 2.200 1.00 10.00 C ATOM 927 O GLN A 60 0.016 11.691 3.383 1.00 10.00 O ATOM 928 CB GLN A 60 1.361 13.575 1.127 1.00 10.00 C ATOM 929 CG GLN A 60 1.135 14.601 2.227 1.00 10.00 C ATOM 930 CD GLN A 60 2.355 14.807 3.107 1.00 10.00 C ATOM 931 OE1 GLN A 60 3.544 14.680 2.531 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 2.229 15.085 4.299 1.00 10.00 N flip ATOM 0 H GLN A 60 2.141 11.740 -0.339 1.00 10.00 H new ATOM 0 HA GLN A 60 2.353 12.208 2.450 1.00 10.00 H new ATOM 0 HB2 GLN A 60 2.211 13.888 0.520 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.490 13.560 0.472 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.854 15.553 1.776 1.00 10.00 H new ATOM 0 HG3 GLN A 60 0.297 14.282 2.847 1.00 10.00 H new ATOM 0 HE21 GLN A 60 1.298 15.174 4.706 1.00 10.00 H new ATOM 0 HE22 GLN A 60 3.055 15.226 4.880 1.00 10.00 H new ATOM 941 N MET A 61 -0.423 10.884 1.331 1.00 10.00 N ATOM 942 CA MET A 61 -1.673 10.245 1.725 1.00 10.00 C ATOM 943 C MET A 61 -1.380 9.021 2.585 1.00 10.00 C ATOM 944 O MET A 61 -2.167 8.652 3.455 1.00 10.00 O ATOM 945 CB MET A 61 -2.482 9.841 0.487 1.00 10.00 C ATOM 946 CG MET A 61 -2.985 11.021 -0.335 1.00 10.00 C ATOM 947 SD MET A 61 -3.791 10.515 -1.866 1.00 10.00 S ATOM 948 CE MET A 61 -5.225 9.650 -1.224 1.00 10.00 C ATOM 0 H MET A 61 -0.184 10.768 0.346 1.00 10.00 H new ATOM 0 HA MET A 61 -2.263 10.955 2.305 1.00 10.00 H new ATOM 0 HB2 MET A 61 -1.864 9.206 -0.148 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.335 9.241 0.803 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.686 11.602 0.264 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.147 11.677 -0.571 1.00 10.00 H new ATOM 0 HE1 MET A 61 -5.946 9.494 -2.027 1.00 10.00 H new ATOM 0 HE2 MET A 61 -4.917 8.685 -0.820 1.00 10.00 H new ATOM 0 HE3 MET A 61 -5.685 10.244 -0.434 1.00 10.00 H new ATOM 958 N LEU A 62 -0.237 8.396 2.333 1.00 10.00 N ATOM 959 CA LEU A 62 0.175 7.223 3.089 1.00 10.00 C ATOM 960 C LEU A 62 0.559 7.615 4.506 1.00 10.00 C ATOM 961 O LEU A 62 0.258 6.900 5.459 1.00 10.00 O ATOM 962 CB LEU A 62 1.344 6.518 2.400 1.00 10.00 C ATOM 963 CG LEU A 62 0.987 5.793 1.101 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.229 5.180 0.476 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.069 4.725 1.354 1.00 10.00 C ATOM 0 H LEU A 62 0.422 8.683 1.609 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.667 6.532 3.132 1.00 10.00 H new ATOM 0 HB2 LEU A 62 2.118 7.255 2.186 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.774 5.797 3.095 1.00 10.00 H new ATOM 0 HG LEU A 62 0.574 6.522 0.403 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.957 4.668 -0.447 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.951 5.966 0.256 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.671 4.465 1.170 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.309 4.221 0.418 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.314 3.997 2.070 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -0.969 5.191 1.756 1.00 10.00 H new ATOM 977 N GLU A 63 1.200 8.771 4.641 1.00 10.00 N ATOM 978 CA GLU A 63 1.613 9.272 5.948 1.00 10.00 C ATOM 979 C GLU A 63 0.398 9.560 6.825 1.00 10.00 C ATOM 980 O GLU A 63 0.485 9.547 8.051 1.00 10.00 O ATOM 981 CB GLU A 63 2.450 10.539 5.792 1.00 10.00 C ATOM 982 CG GLU A 63 3.922 10.269 5.536 1.00 10.00 C ATOM 983 CD GLU A 63 4.584 9.515 6.671 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.639 10.048 7.798 1.00 10.00 O ATOM 985 OE2 GLU A 63 5.073 8.388 6.435 1.00 10.00 O ATOM 0 H GLU A 63 1.445 9.380 3.860 1.00 10.00 H new ATOM 0 HA GLU A 63 2.217 8.503 6.429 1.00 10.00 H new ATOM 0 HB2 GLU A 63 2.049 11.130 4.968 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.352 11.142 6.694 1.00 10.00 H new ATOM 0 HG2 GLU A 63 4.027 9.696 4.615 1.00 10.00 H new ATOM 0 HG3 GLU A 63 4.440 11.216 5.384 1.00 10.00 H new ATOM 992 N LYS A 64 -0.735 9.822 6.184 1.00 10.00 N ATOM 993 CA LYS A 64 -1.973 10.106 6.900 1.00 10.00 C ATOM 994 C LYS A 64 -2.664 8.808 7.305 1.00 10.00 C ATOM 995 O LYS A 64 -3.611 8.815 8.090 1.00 10.00 O ATOM 996 CB LYS A 64 -2.910 10.953 6.035 1.00 10.00 C ATOM 997 CG LYS A 64 -2.368 12.340 5.730 1.00 10.00 C ATOM 998 CD LYS A 64 -3.394 13.193 5.003 1.00 10.00 C ATOM 999 CE LYS A 64 -2.823 14.550 4.625 1.00 10.00 C ATOM 1000 NZ LYS A 64 -3.824 15.401 3.926 1.00 10.00 N ATOM 0 H LYS A 64 -0.822 9.844 5.168 1.00 10.00 H new ATOM 0 HA LYS A 64 -1.727 10.667 7.801 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.096 10.430 5.097 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -3.870 11.050 6.542 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.078 12.831 6.659 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -1.468 12.254 5.121 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -3.728 12.675 4.104 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.270 13.330 5.637 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -2.477 15.061 5.524 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -1.953 14.411 3.983 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -3.394 16.317 3.686 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -4.136 14.926 3.055 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -4.643 15.556 4.548 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.179 7.699 6.767 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.738 6.388 7.071 1.00 10.00 C ATOM 1016 C GLN A 65 -1.726 5.570 7.862 1.00 10.00 C ATOM 1017 O GLN A 65 -1.944 4.393 8.159 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.117 5.664 5.778 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.166 6.403 4.962 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.570 6.199 5.492 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.270 5.223 4.940 1.00 10.00 O flip ATOM 1022 NE2 GLN A 65 -6.026 6.920 6.383 1.00 10.00 N flip ATOM 0 H GLN A 65 -1.395 7.680 6.114 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.639 6.513 7.672 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.223 5.528 5.170 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.490 4.670 6.022 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.934 7.468 4.959 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.120 6.064 3.927 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -5.452 7.662 6.782 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -6.977 6.774 6.721 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.617 6.215 8.195 1.00 10.00 N ATOM 1032 CA LYS A 66 0.453 5.591 8.950 1.00 10.00 C ATOM 1033 C LYS A 66 -0.006 5.283 10.370 1.00 10.00 C ATOM 1034 O LYS A 66 -0.442 6.178 11.101 1.00 10.00 O ATOM 1035 CB LYS A 66 1.669 6.520 8.969 1.00 10.00 C ATOM 1036 CG LYS A 66 2.875 5.960 9.710 1.00 10.00 C ATOM 1037 CD LYS A 66 4.015 6.969 9.747 1.00 10.00 C ATOM 1038 CE LYS A 66 3.686 8.149 10.648 1.00 10.00 C ATOM 1039 NZ LYS A 66 4.525 9.336 10.349 1.00 10.00 N ATOM 0 H LYS A 66 -0.436 7.188 7.947 1.00 10.00 H new ATOM 0 HA LYS A 66 0.728 4.650 8.473 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.959 6.740 7.942 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.382 7.466 9.429 1.00 10.00 H new ATOM 0 HG2 LYS A 66 2.589 5.693 10.727 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.212 5.045 9.223 1.00 10.00 H new ATOM 0 HD2 LYS A 66 4.923 6.481 10.102 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.219 7.326 8.738 1.00 10.00 H new ATOM 0 HE2 LYS A 66 2.634 8.411 10.531 1.00 10.00 H new ATOM 0 HE3 LYS A 66 3.828 7.859 11.689 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 4.005 10.201 10.600 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.404 9.288 10.902 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 4.754 9.352 9.335 1.00 10.00 H new ATOM 1053 N LYS A 67 0.087 4.020 10.756 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.327 3.598 12.088 1.00 10.00 C ATOM 1055 C LYS A 67 0.717 2.679 12.709 1.00 10.00 C ATOM 1056 O LYS A 67 1.105 1.678 12.100 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.677 2.877 12.031 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.822 3.737 11.510 1.00 10.00 C ATOM 1059 CD LYS A 67 -4.112 2.939 11.394 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.217 3.753 10.739 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.498 2.998 10.668 1.00 10.00 N ATOM 0 H LYS A 67 0.445 3.268 10.167 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.427 4.490 12.706 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.580 1.997 11.395 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.929 2.522 13.030 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.976 4.584 12.179 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.557 4.145 10.535 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.931 2.036 10.811 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.433 2.620 12.385 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.370 4.675 11.301 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.909 4.040 9.734 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.210 3.569 10.170 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -6.347 2.106 10.154 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.832 2.791 11.631 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.706 -13.290 -1.057 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.560 -12.657 -1.700 1.00 10.00 C ATOM 1107 C GLU B 6 0.592 -12.494 -0.710 1.00 10.00 C ATOM 1108 O GLU B 6 0.365 -12.311 0.488 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.961 -11.299 -2.289 1.00 10.00 C ATOM 1110 CG GLU B 6 -1.886 -10.484 -1.392 1.00 10.00 C ATOM 1111 CD GLU B 6 -2.530 -9.323 -2.120 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.617 -8.225 -1.532 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -2.950 -9.508 -3.288 1.00 10.00 O ATOM 0 HA GLU B 6 -0.222 -13.300 -2.512 1.00 10.00 H new ATOM 0 HB2 GLU B 6 -0.059 -10.719 -2.486 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.452 -11.461 -3.249 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -2.664 -11.134 -0.993 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -1.320 -10.105 -0.541 1.00 10.00 H new ATOM 1120 N GLU B 7 1.824 -12.575 -1.208 1.00 10.00 N ATOM 1121 CA GLU B 7 3.004 -12.445 -0.356 1.00 10.00 C ATOM 1122 C GLU B 7 4.091 -11.595 -1.010 1.00 10.00 C ATOM 1123 O GLU B 7 4.180 -11.509 -2.235 1.00 10.00 O ATOM 1124 CB GLU B 7 3.578 -13.821 -0.029 1.00 10.00 C ATOM 1125 CG GLU B 7 2.939 -14.483 1.174 1.00 10.00 C ATOM 1126 CD GLU B 7 3.517 -15.851 1.446 1.00 10.00 C ATOM 1127 OE1 GLU B 7 4.734 -15.940 1.726 1.00 10.00 O ATOM 1128 OE2 GLU B 7 2.761 -16.842 1.380 1.00 10.00 O ATOM 0 H GLU B 7 2.031 -12.730 -2.195 1.00 10.00 H new ATOM 0 HA GLU B 7 2.682 -11.947 0.559 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.456 -14.470 -0.896 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.649 -13.724 0.148 1.00 10.00 H new ATOM 0 HG2 GLU B 7 3.078 -13.851 2.051 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.865 -14.570 1.011 1.00 10.00 H new ATOM 1135 N GLU B 8 4.919 -10.978 -0.175 1.00 10.00 N ATOM 1136 CA GLU B 8 6.023 -10.148 -0.648 1.00 10.00 C ATOM 1137 C GLU B 8 7.342 -10.836 -0.328 1.00 10.00 C ATOM 1138 O GLU B 8 7.350 -11.923 0.255 1.00 10.00 O ATOM 1139 CB GLU B 8 6.005 -8.768 0.018 1.00 10.00 C ATOM 1140 CG GLU B 8 4.618 -8.261 0.359 1.00 10.00 C ATOM 1141 CD GLU B 8 4.513 -7.783 1.794 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.232 -6.586 2.009 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.724 -8.607 2.713 1.00 10.00 O ATOM 0 H GLU B 8 4.846 -11.037 0.841 1.00 10.00 H new ATOM 0 HA GLU B 8 5.913 -10.015 -1.724 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.599 -8.810 0.931 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.489 -8.051 -0.645 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.358 -7.443 -0.313 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.892 -9.056 0.190 1.00 10.00 H new ATOM 1150 N GLY B 9 8.454 -10.215 -0.699 1.00 10.00 N ATOM 1151 CA GLY B 9 9.743 -10.809 -0.410 1.00 10.00 C ATOM 1152 C GLY B 9 10.905 -9.941 -0.834 1.00 10.00 C ATOM 1153 O GLY B 9 11.954 -10.449 -1.231 1.00 10.00 O ATOM 0 H GLY B 9 8.487 -9.321 -1.189 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.815 -11.004 0.660 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.814 -11.772 -0.915 1.00 10.00 H new ATOM 1157 N GLU B 10 10.722 -8.634 -0.759 1.00 10.00 N ATOM 1158 CA GLU B 10 11.769 -7.696 -1.138 1.00 10.00 C ATOM 1159 C GLU B 10 12.904 -7.727 -0.126 1.00 10.00 C ATOM 1160 O GLU B 10 12.687 -8.008 1.056 1.00 10.00 O ATOM 1161 CB GLU B 10 11.223 -6.269 -1.230 1.00 10.00 C ATOM 1162 CG GLU B 10 10.437 -5.973 -2.497 1.00 10.00 C ATOM 1163 CD GLU B 10 9.342 -6.989 -2.764 1.00 10.00 C ATOM 1164 OE1 GLU B 10 9.421 -7.701 -3.786 1.00 10.00 O ATOM 1165 OE2 GLU B 10 8.406 -7.086 -1.944 1.00 10.00 O ATOM 0 H GLU B 10 9.858 -8.196 -0.439 1.00 10.00 H new ATOM 0 HA GLU B 10 12.142 -7.999 -2.117 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.582 -6.083 -0.368 1.00 10.00 H new ATOM 0 HB3 GLU B 10 12.057 -5.570 -1.164 1.00 10.00 H new ATOM 0 HG2 GLU B 10 9.993 -4.980 -2.420 1.00 10.00 H new ATOM 0 HG3 GLU B 10 11.120 -5.952 -3.346 1.00 10.00 H new ATOM 1172 N GLU B 11 14.108 -7.450 -0.596 1.00 10.00 N ATOM 1173 CA GLU B 11 15.276 -7.425 0.266 1.00 10.00 C ATOM 1174 C GLU B 11 15.615 -5.983 0.625 1.00 10.00 C ATOM 1175 O GLU B 11 15.500 -5.085 -0.211 1.00 10.00 O ATOM 1176 CB GLU B 11 16.469 -8.093 -0.424 1.00 10.00 C ATOM 1177 CG GLU B 11 17.702 -8.212 0.462 1.00 10.00 C ATOM 1178 CD GLU B 11 17.455 -9.028 1.714 1.00 10.00 C ATOM 1179 OE1 GLU B 11 16.835 -8.501 2.660 1.00 10.00 O ATOM 1180 OE2 GLU B 11 17.890 -10.200 1.762 1.00 10.00 O ATOM 0 H GLU B 11 14.302 -7.238 -1.575 1.00 10.00 H new ATOM 0 HA GLU B 11 15.054 -7.980 1.177 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.174 -9.088 -0.757 1.00 10.00 H new ATOM 0 HB3 GLU B 11 16.727 -7.522 -1.316 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.510 -8.669 -0.109 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.037 -7.214 0.746 1.00 10.00 H new ATOM 1187 N TYR B 12 16.021 -5.759 1.863 1.00 10.00 N ATOM 1188 CA TYR B 12 16.373 -4.419 2.309 1.00 10.00 C ATOM 1189 C TYR B 12 17.886 -4.280 2.439 1.00 10.00 C ATOM 1190 O TYR B 12 18.638 -5.142 1.978 1.00 10.00 O ATOM 1191 CB TYR B 12 15.695 -4.093 3.645 1.00 10.00 C ATOM 1192 CG TYR B 12 15.450 -2.611 3.847 1.00 10.00 C ATOM 1193 CD1 TYR B 12 16.512 -1.727 3.998 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.159 -2.096 3.878 1.00 10.00 C ATOM 1195 CE1 TYR B 12 16.297 -0.374 4.168 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.938 -0.740 4.051 1.00 10.00 C ATOM 1197 CZ TYR B 12 15.010 0.114 4.196 1.00 10.00 C ATOM 1198 OH TYR B 12 14.800 1.464 4.357 1.00 10.00 O ATOM 0 H TYR B 12 16.115 -6.483 2.575 1.00 10.00 H new ATOM 0 HA TYR B 12 16.019 -3.710 1.561 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.744 -4.622 3.700 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.315 -4.466 4.460 1.00 10.00 H new ATOM 0 HD1 TYR B 12 17.523 -2.105 3.982 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.317 -2.763 3.766 1.00 10.00 H new ATOM 0 HE1 TYR B 12 17.135 0.299 4.279 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.930 -0.353 4.072 1.00 10.00 H new ATOM 0 HH TYR B 12 15.552 1.960 3.972 1.00 10.00 H new