USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 284 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 19 CYS SG : rot 128:sc= 0.00562 USER MOD Set 1.2: A 24 HIS : no HE2:sc= 0.712 K(o=0.72,f=-4.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0742 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 35:sc= 0.579 USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= -0.0333 (180deg=-0.264) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 14:sc= 0.14 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -0.0585 (180deg=-0.384) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.839 -1.539 -12.958 1.00 0.00 N ATOM 2 CA GLY A 1 22.513 -0.452 -13.644 1.00 0.00 C ATOM 3 C GLY A 1 22.326 0.880 -12.944 1.00 0.00 C ATOM 4 O GLY A 1 23.285 1.464 -12.439 1.00 0.00 O ATOM 0 H1 GLY A 1 21.997 -2.427 -13.476 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.217 -1.628 -11.993 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.819 -1.342 -12.913 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.577 -0.676 -13.715 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.134 -0.380 -14.664 1.00 0.00 H new ATOM 8 N SER A 2 21.088 1.363 -12.914 1.00 0.00 N ATOM 9 CA SER A 2 20.779 2.637 -12.275 1.00 0.00 C ATOM 10 C SER A 2 20.572 2.456 -10.775 1.00 0.00 C ATOM 11 O SER A 2 20.416 1.336 -10.289 1.00 0.00 O ATOM 12 CB SER A 2 19.530 3.257 -12.904 1.00 0.00 C ATOM 13 OG SER A 2 19.715 3.482 -14.290 1.00 0.00 O ATOM 0 H SER A 2 20.282 0.891 -13.325 1.00 0.00 H new ATOM 0 HA SER A 2 21.625 3.307 -12.428 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.676 2.597 -12.750 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.298 4.199 -12.407 1.00 0.00 H new ATOM 0 HG SER A 2 18.902 3.877 -14.669 1.00 0.00 H new ATOM 19 N SER A 3 20.570 3.568 -10.046 1.00 0.00 N ATOM 20 CA SER A 3 20.386 3.533 -8.600 1.00 0.00 C ATOM 21 C SER A 3 18.969 3.956 -8.223 1.00 0.00 C ATOM 22 O SER A 3 18.282 4.624 -8.995 1.00 0.00 O ATOM 23 CB SER A 3 21.403 4.447 -7.913 1.00 0.00 C ATOM 24 OG SER A 3 21.165 4.516 -6.518 1.00 0.00 O ATOM 0 H SER A 3 20.694 4.504 -10.433 1.00 0.00 H new ATOM 0 HA SER A 3 20.543 2.508 -8.263 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.412 4.076 -8.095 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.348 5.446 -8.344 1.00 0.00 H new ATOM 0 HG SER A 3 21.829 5.105 -6.102 1.00 0.00 H new ATOM 30 N GLY A 4 18.539 3.562 -7.028 1.00 0.00 N ATOM 31 CA GLY A 4 17.206 3.908 -6.568 1.00 0.00 C ATOM 32 C GLY A 4 16.744 3.034 -5.419 1.00 0.00 C ATOM 33 O GLY A 4 17.209 3.186 -4.289 1.00 0.00 O ATOM 0 H GLY A 4 19.089 3.010 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.193 4.952 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.504 3.815 -7.396 1.00 0.00 H new ATOM 37 N SER A 5 15.826 2.117 -5.707 1.00 0.00 N ATOM 38 CA SER A 5 15.296 1.219 -4.688 1.00 0.00 C ATOM 39 C SER A 5 16.422 0.636 -3.839 1.00 0.00 C ATOM 40 O SER A 5 17.339 -0.001 -4.358 1.00 0.00 O ATOM 41 CB SER A 5 14.496 0.089 -5.339 1.00 0.00 C ATOM 42 OG SER A 5 13.435 0.603 -6.126 1.00 0.00 O ATOM 0 H SER A 5 15.434 1.976 -6.638 1.00 0.00 H new ATOM 0 HA SER A 5 14.636 1.795 -4.040 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.155 -0.515 -5.962 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.095 -0.568 -4.567 1.00 0.00 H new ATOM 0 HG SER A 5 12.940 -0.139 -6.533 1.00 0.00 H new ATOM 48 N SER A 6 16.345 0.860 -2.531 1.00 0.00 N ATOM 49 CA SER A 6 17.359 0.361 -1.610 1.00 0.00 C ATOM 50 C SER A 6 16.798 0.245 -0.196 1.00 0.00 C ATOM 51 O SER A 6 16.395 1.239 0.408 1.00 0.00 O ATOM 52 CB SER A 6 18.580 1.284 -1.612 1.00 0.00 C ATOM 53 OG SER A 6 18.253 2.563 -1.097 1.00 0.00 O ATOM 0 H SER A 6 15.591 1.383 -2.086 1.00 0.00 H new ATOM 0 HA SER A 6 17.662 -0.631 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.376 0.840 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.962 1.384 -2.628 1.00 0.00 H new ATOM 0 HG SER A 6 17.586 2.468 -0.385 1.00 0.00 H new ATOM 59 N GLY A 7 16.777 -0.977 0.328 1.00 0.00 N ATOM 60 CA GLY A 7 16.263 -1.202 1.666 1.00 0.00 C ATOM 61 C GLY A 7 14.810 -0.796 1.806 1.00 0.00 C ATOM 62 O GLY A 7 14.415 -0.216 2.817 1.00 0.00 O ATOM 0 H GLY A 7 17.107 -1.815 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.368 -2.257 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.864 -0.641 2.382 1.00 0.00 H new ATOM 66 N GLU A 8 14.012 -1.100 0.787 1.00 0.00 N ATOM 67 CA GLU A 8 12.594 -0.760 0.800 1.00 0.00 C ATOM 68 C GLU A 8 11.736 -2.009 0.981 1.00 0.00 C ATOM 69 O GLU A 8 11.227 -2.572 0.012 1.00 0.00 O ATOM 70 CB GLU A 8 12.206 -0.045 -0.496 1.00 0.00 C ATOM 71 CG GLU A 8 10.910 0.742 -0.392 1.00 0.00 C ATOM 72 CD GLU A 8 9.682 -0.135 -0.546 1.00 0.00 C ATOM 73 OE1 GLU A 8 9.610 -0.888 -1.539 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.792 -0.067 0.328 1.00 0.00 O ATOM 0 H GLU A 8 14.323 -1.581 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 8 12.415 -0.092 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.011 0.632 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.111 -0.782 -1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.872 1.247 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.897 1.517 -1.158 1.00 0.00 H new ATOM 81 N LYS A 9 11.582 -2.438 2.229 1.00 0.00 N ATOM 82 CA LYS A 9 10.786 -3.619 2.540 1.00 0.00 C ATOM 83 C LYS A 9 9.484 -3.232 3.233 1.00 0.00 C ATOM 84 O LYS A 9 9.040 -3.904 4.164 1.00 0.00 O ATOM 85 CB LYS A 9 11.583 -4.577 3.428 1.00 0.00 C ATOM 86 CG LYS A 9 11.141 -6.025 3.312 1.00 0.00 C ATOM 87 CD LYS A 9 12.278 -6.983 3.628 1.00 0.00 C ATOM 88 CE LYS A 9 13.166 -7.213 2.415 1.00 0.00 C ATOM 89 NZ LYS A 9 12.470 -7.999 1.358 1.00 0.00 N ATOM 0 H LYS A 9 11.999 -1.985 3.042 1.00 0.00 H new ATOM 0 HA LYS A 9 10.543 -4.119 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.639 -4.506 3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.489 -4.259 4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.310 -6.208 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.774 -6.215 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.876 -6.583 4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.870 -7.935 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.478 -6.252 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.071 -7.738 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.174 -8.421 0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.907 -8.753 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.843 -7.372 0.815 1.00 0.00 H new ATOM 103 N PHE A 10 8.874 -2.145 2.771 1.00 0.00 N ATOM 104 CA PHE A 10 7.622 -1.669 3.347 1.00 0.00 C ATOM 105 C PHE A 10 6.541 -1.552 2.276 1.00 0.00 C ATOM 106 O PHE A 10 6.521 -0.597 1.500 1.00 0.00 O ATOM 107 CB PHE A 10 7.831 -0.314 4.026 1.00 0.00 C ATOM 108 CG PHE A 10 9.060 -0.259 4.888 1.00 0.00 C ATOM 109 CD1 PHE A 10 9.159 -1.041 6.027 1.00 0.00 C ATOM 110 CD2 PHE A 10 10.116 0.576 4.559 1.00 0.00 C ATOM 111 CE1 PHE A 10 10.288 -0.993 6.822 1.00 0.00 C ATOM 112 CE2 PHE A 10 11.248 0.628 5.349 1.00 0.00 C ATOM 113 CZ PHE A 10 11.334 -0.156 6.483 1.00 0.00 C ATOM 0 H PHE A 10 9.226 -1.578 2.000 1.00 0.00 H new ATOM 0 HA PHE A 10 7.295 -2.394 4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.898 0.460 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.958 -0.084 4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.344 -1.696 6.297 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.053 1.193 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.353 -1.609 7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.065 1.281 5.080 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.217 -0.115 7.103 1.00 0.00 H new ATOM 123 N ALA A 11 5.643 -2.531 2.240 1.00 0.00 N ATOM 124 CA ALA A 11 4.559 -2.538 1.267 1.00 0.00 C ATOM 125 C ALA A 11 3.237 -2.927 1.920 1.00 0.00 C ATOM 126 O ALA A 11 3.213 -3.657 2.911 1.00 0.00 O ATOM 127 CB ALA A 11 4.883 -3.487 0.122 1.00 0.00 C ATOM 0 H ALA A 11 5.645 -3.330 2.874 1.00 0.00 H new ATOM 0 HA ALA A 11 4.455 -1.528 0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.064 -3.482 -0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.800 -3.164 -0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.017 -4.496 0.512 1.00 0.00 H new ATOM 133 N CYS A 12 2.137 -2.433 1.360 1.00 0.00 N ATOM 134 CA CYS A 12 0.811 -2.727 1.888 1.00 0.00 C ATOM 135 C CYS A 12 0.575 -4.233 1.958 1.00 0.00 C ATOM 136 O CYS A 12 0.870 -4.963 1.011 1.00 0.00 O ATOM 137 CB CYS A 12 -0.264 -2.071 1.020 1.00 0.00 C ATOM 138 SG CYS A 12 -1.960 -2.283 1.649 1.00 0.00 S ATOM 0 H CYS A 12 2.139 -1.827 0.540 1.00 0.00 H new ATOM 0 HA CYS A 12 0.751 -2.320 2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.049 -1.006 0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.207 -2.486 0.014 1.00 0.00 H new ATOM 143 N ASP A 13 0.041 -4.691 3.085 1.00 0.00 N ATOM 144 CA ASP A 13 -0.236 -6.109 3.279 1.00 0.00 C ATOM 145 C ASP A 13 -1.571 -6.493 2.649 1.00 0.00 C ATOM 146 O ASP A 13 -1.669 -7.494 1.938 1.00 0.00 O ATOM 147 CB ASP A 13 -0.246 -6.450 4.770 1.00 0.00 C ATOM 148 CG ASP A 13 -0.134 -7.940 5.024 1.00 0.00 C ATOM 149 OD1 ASP A 13 0.621 -8.613 4.291 1.00 0.00 O ATOM 150 OD2 ASP A 13 -0.800 -8.434 5.957 1.00 0.00 O ATOM 0 H ASP A 13 -0.209 -4.100 3.878 1.00 0.00 H new ATOM 0 HA ASP A 13 0.554 -6.678 2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.580 -5.937 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.166 -6.076 5.219 1.00 0.00 H new ATOM 155 N TYR A 14 -2.597 -5.691 2.914 1.00 0.00 N ATOM 156 CA TYR A 14 -3.927 -5.949 2.375 1.00 0.00 C ATOM 157 C TYR A 14 -3.878 -6.123 0.861 1.00 0.00 C ATOM 158 O TYR A 14 -4.489 -7.039 0.309 1.00 0.00 O ATOM 159 CB TYR A 14 -4.877 -4.805 2.737 1.00 0.00 C ATOM 160 CG TYR A 14 -5.010 -4.577 4.226 1.00 0.00 C ATOM 161 CD1 TYR A 14 -5.902 -5.322 4.986 1.00 0.00 C ATOM 162 CD2 TYR A 14 -4.242 -3.616 4.873 1.00 0.00 C ATOM 163 CE1 TYR A 14 -6.028 -5.116 6.347 1.00 0.00 C ATOM 164 CE2 TYR A 14 -4.359 -3.404 6.233 1.00 0.00 C ATOM 165 CZ TYR A 14 -5.254 -4.157 6.965 1.00 0.00 C ATOM 166 OH TYR A 14 -5.375 -3.949 8.320 1.00 0.00 O ATOM 0 H TYR A 14 -2.533 -4.857 3.498 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.297 -6.874 2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.523 -3.887 2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.862 -5.016 2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.508 -6.076 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.541 -3.025 4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.728 -5.703 6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.754 -2.654 6.720 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.759 -3.240 8.598 1.00 0.00 H new ATOM 176 N CYS A 15 -3.144 -5.239 0.193 1.00 0.00 N ATOM 177 CA CYS A 15 -3.012 -5.293 -1.257 1.00 0.00 C ATOM 178 C CYS A 15 -1.548 -5.191 -1.675 1.00 0.00 C ATOM 179 O CYS A 15 -0.666 -4.995 -0.839 1.00 0.00 O ATOM 180 CB CYS A 15 -3.818 -4.165 -1.906 1.00 0.00 C ATOM 181 SG CYS A 15 -2.951 -2.563 -1.951 1.00 0.00 S ATOM 0 H CYS A 15 -2.631 -4.476 0.634 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.403 -6.252 -1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.075 -4.456 -2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.755 -4.044 -1.363 1.00 0.00 H new ATOM 186 N SER A 16 -1.298 -5.327 -2.973 1.00 0.00 N ATOM 187 CA SER A 16 0.059 -5.254 -3.502 1.00 0.00 C ATOM 188 C SER A 16 0.387 -3.838 -3.965 1.00 0.00 C ATOM 189 O SER A 16 0.801 -3.625 -5.105 1.00 0.00 O ATOM 190 CB SER A 16 0.230 -6.235 -4.663 1.00 0.00 C ATOM 191 OG SER A 16 1.591 -6.590 -4.836 1.00 0.00 O ATOM 0 H SER A 16 -2.017 -5.488 -3.678 1.00 0.00 H new ATOM 0 HA SER A 16 0.749 -5.525 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.362 -7.131 -4.476 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.151 -5.787 -5.581 1.00 0.00 H new ATOM 0 HG SER A 16 1.673 -7.219 -5.583 1.00 0.00 H new ATOM 197 N PHE A 17 0.200 -2.872 -3.071 1.00 0.00 N ATOM 198 CA PHE A 17 0.474 -1.475 -3.387 1.00 0.00 C ATOM 199 C PHE A 17 1.904 -1.102 -3.005 1.00 0.00 C ATOM 200 O PHE A 17 2.322 -1.285 -1.861 1.00 0.00 O ATOM 201 CB PHE A 17 -0.515 -0.562 -2.660 1.00 0.00 C ATOM 202 CG PHE A 17 -0.026 0.850 -2.506 1.00 0.00 C ATOM 203 CD1 PHE A 17 -0.292 1.799 -3.480 1.00 0.00 C ATOM 204 CD2 PHE A 17 0.699 1.228 -1.388 1.00 0.00 C ATOM 205 CE1 PHE A 17 0.157 3.098 -3.342 1.00 0.00 C ATOM 206 CE2 PHE A 17 1.151 2.526 -1.244 1.00 0.00 C ATOM 207 CZ PHE A 17 0.878 3.463 -2.221 1.00 0.00 C ATOM 0 H PHE A 17 -0.140 -3.031 -2.123 1.00 0.00 H new ATOM 0 HA PHE A 17 0.357 -1.342 -4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.458 -0.554 -3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.722 -0.976 -1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.857 1.520 -4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.914 0.500 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.055 3.828 -4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.717 2.807 -0.368 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.227 4.479 -2.109 1.00 0.00 H new ATOM 217 N THR A 18 2.650 -0.577 -3.972 1.00 0.00 N ATOM 218 CA THR A 18 4.033 -0.180 -3.739 1.00 0.00 C ATOM 219 C THR A 18 4.200 1.330 -3.868 1.00 0.00 C ATOM 220 O THR A 18 3.630 1.953 -4.765 1.00 0.00 O ATOM 221 CB THR A 18 4.991 -0.877 -4.723 1.00 0.00 C ATOM 222 OG1 THR A 18 4.641 -0.540 -6.070 1.00 0.00 O ATOM 223 CG2 THR A 18 4.946 -2.387 -4.544 1.00 0.00 C ATOM 0 H THR A 18 2.320 -0.417 -4.924 1.00 0.00 H new ATOM 0 HA THR A 18 4.283 -0.485 -2.723 1.00 0.00 H new ATOM 0 HB THR A 18 6.004 -0.533 -4.515 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.256 -0.986 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.631 -2.858 -5.250 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.242 -2.642 -3.526 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.933 -2.745 -4.728 1.00 0.00 H new ATOM 231 N CYS A 19 4.985 1.913 -2.969 1.00 0.00 N ATOM 232 CA CYS A 19 5.227 3.351 -2.983 1.00 0.00 C ATOM 233 C CYS A 19 6.628 3.672 -2.471 1.00 0.00 C ATOM 234 O CYS A 19 7.319 2.804 -1.936 1.00 0.00 O ATOM 235 CB CYS A 19 4.182 4.073 -2.131 1.00 0.00 C ATOM 236 SG CYS A 19 3.867 5.780 -2.639 1.00 0.00 S ATOM 0 H CYS A 19 5.465 1.412 -2.221 1.00 0.00 H new ATOM 0 HA CYS A 19 5.148 3.698 -4.013 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.247 3.515 -2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.511 4.069 -1.092 1.00 0.00 H new ATOM 0 HG CYS A 19 2.589 5.958 -2.793 1.00 0.00 H new ATOM 242 N LEU A 20 7.042 4.923 -2.640 1.00 0.00 N ATOM 243 CA LEU A 20 8.362 5.358 -2.197 1.00 0.00 C ATOM 244 C LEU A 20 8.247 6.430 -1.118 1.00 0.00 C ATOM 245 O LEU A 20 8.922 7.458 -1.175 1.00 0.00 O ATOM 246 CB LEU A 20 9.168 5.895 -3.381 1.00 0.00 C ATOM 247 CG LEU A 20 10.657 6.132 -3.127 1.00 0.00 C ATOM 248 CD1 LEU A 20 11.385 4.809 -2.951 1.00 0.00 C ATOM 249 CD2 LEU A 20 11.271 6.933 -4.266 1.00 0.00 C ATOM 0 H LEU A 20 6.483 5.654 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 20 8.879 4.496 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.068 5.195 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.721 6.835 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 20 10.762 6.707 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.443 4.997 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.963 4.271 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.272 4.208 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.331 7.092 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.154 6.385 -5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.768 7.897 -4.346 1.00 0.00 H new ATOM 261 N SER A 21 7.389 6.182 -0.133 1.00 0.00 N ATOM 262 CA SER A 21 7.185 7.127 0.958 1.00 0.00 C ATOM 263 C SER A 21 6.869 6.394 2.259 1.00 0.00 C ATOM 264 O SER A 21 6.364 5.271 2.246 1.00 0.00 O ATOM 265 CB SER A 21 6.051 8.096 0.618 1.00 0.00 C ATOM 266 OG SER A 21 6.508 9.137 -0.229 1.00 0.00 O ATOM 0 H SER A 21 6.824 5.335 -0.069 1.00 0.00 H new ATOM 0 HA SER A 21 8.107 7.692 1.093 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.240 7.555 0.130 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.644 8.521 1.535 1.00 0.00 H new ATOM 0 HG SER A 21 7.383 8.897 -0.600 1.00 0.00 H new ATOM 272 N LYS A 22 7.170 7.038 3.382 1.00 0.00 N ATOM 273 CA LYS A 22 6.918 6.451 4.692 1.00 0.00 C ATOM 274 C LYS A 22 5.479 6.701 5.133 1.00 0.00 C ATOM 275 O LYS A 22 4.821 5.812 5.672 1.00 0.00 O ATOM 276 CB LYS A 22 7.887 7.026 5.727 1.00 0.00 C ATOM 277 CG LYS A 22 7.797 6.353 7.085 1.00 0.00 C ATOM 278 CD LYS A 22 8.689 5.125 7.159 1.00 0.00 C ATOM 279 CE LYS A 22 10.159 5.508 7.234 1.00 0.00 C ATOM 280 NZ LYS A 22 11.036 4.460 6.642 1.00 0.00 N ATOM 0 H LYS A 22 7.589 7.967 3.410 1.00 0.00 H new ATOM 0 HA LYS A 22 7.074 5.375 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.906 6.931 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.689 8.091 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.085 7.060 7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.764 6.066 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.421 4.532 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.520 4.498 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.316 6.451 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.439 5.671 8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.030 4.758 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.906 3.566 7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.786 4.322 5.642 1.00 0.00 H new ATOM 294 N GLY A 23 4.996 7.918 4.899 1.00 0.00 N ATOM 295 CA GLY A 23 3.638 8.262 5.278 1.00 0.00 C ATOM 296 C GLY A 23 2.614 7.765 4.277 1.00 0.00 C ATOM 297 O GLY A 23 1.542 7.294 4.658 1.00 0.00 O ATOM 0 H GLY A 23 5.521 8.671 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.419 7.838 6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.554 9.345 5.373 1.00 0.00 H new ATOM 301 N HIS A 24 2.942 7.871 2.994 1.00 0.00 N ATOM 302 CA HIS A 24 2.042 7.428 1.935 1.00 0.00 C ATOM 303 C HIS A 24 1.585 5.993 2.175 1.00 0.00 C ATOM 304 O HIS A 24 0.588 5.544 1.607 1.00 0.00 O ATOM 305 CB HIS A 24 2.729 7.536 0.574 1.00 0.00 C ATOM 306 CG HIS A 24 1.772 7.582 -0.578 1.00 0.00 C ATOM 307 ND1 HIS A 24 0.790 6.636 -0.778 1.00 0.00 N ATOM 308 CD2 HIS A 24 1.651 8.469 -1.593 1.00 0.00 C ATOM 309 CE1 HIS A 24 0.106 6.938 -1.868 1.00 0.00 C ATOM 310 NE2 HIS A 24 0.609 8.046 -2.381 1.00 0.00 N ATOM 0 H HIS A 24 3.825 8.260 2.662 1.00 0.00 H new ATOM 0 HA HIS A 24 1.165 8.076 1.943 1.00 0.00 H new ATOM 0 HB2 HIS A 24 3.347 8.434 0.558 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.399 6.686 0.446 1.00 0.00 H new ATOM 0 HD1 HIS A 24 0.618 5.829 -0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 24 2.260 9.346 -1.753 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.723 6.375 -2.270 1.00 0.00 H new ATOM 318 N LEU A 25 2.319 5.276 3.019 1.00 0.00 N ATOM 319 CA LEU A 25 1.990 3.891 3.334 1.00 0.00 C ATOM 320 C LEU A 25 0.975 3.817 4.470 1.00 0.00 C ATOM 321 O LEU A 25 0.194 2.869 4.558 1.00 0.00 O ATOM 322 CB LEU A 25 3.255 3.119 3.714 1.00 0.00 C ATOM 323 CG LEU A 25 3.041 1.818 4.489 1.00 0.00 C ATOM 324 CD1 LEU A 25 2.076 0.907 3.746 1.00 0.00 C ATOM 325 CD2 LEU A 25 4.368 1.113 4.725 1.00 0.00 C ATOM 0 H LEU A 25 3.147 5.632 3.498 1.00 0.00 H new ATOM 0 HA LEU A 25 1.548 3.438 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.804 2.888 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.890 3.774 4.311 1.00 0.00 H new ATOM 0 HG LEU A 25 2.605 2.062 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.936 -0.014 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.117 1.411 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.483 0.670 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.196 0.189 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.832 0.881 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.028 1.763 5.300 1.00 0.00 H new ATOM 337 N LYS A 26 0.990 4.824 5.336 1.00 0.00 N ATOM 338 CA LYS A 26 0.069 4.876 6.465 1.00 0.00 C ATOM 339 C LYS A 26 -1.285 5.431 6.037 1.00 0.00 C ATOM 340 O LYS A 26 -2.328 5.007 6.537 1.00 0.00 O ATOM 341 CB LYS A 26 0.654 5.737 7.587 1.00 0.00 C ATOM 342 CG LYS A 26 1.551 4.967 8.541 1.00 0.00 C ATOM 343 CD LYS A 26 2.988 4.931 8.048 1.00 0.00 C ATOM 344 CE LYS A 26 3.760 6.165 8.489 1.00 0.00 C ATOM 345 NZ LYS A 26 3.975 6.187 9.963 1.00 0.00 N ATOM 0 H LYS A 26 1.630 5.616 5.278 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.075 3.860 6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.224 6.555 7.146 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.163 6.186 8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.515 5.428 9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.178 3.949 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.482 4.037 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.999 4.863 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.724 6.191 7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.216 7.060 8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.775 6.812 10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.117 6.539 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.183 5.225 10.298 1.00 0.00 H new ATOM 359 N VAL A 27 -1.264 6.382 5.109 1.00 0.00 N ATOM 360 CA VAL A 27 -2.490 6.993 4.611 1.00 0.00 C ATOM 361 C VAL A 27 -3.173 6.098 3.583 1.00 0.00 C ATOM 362 O VAL A 27 -4.384 6.181 3.379 1.00 0.00 O ATOM 363 CB VAL A 27 -2.214 8.369 3.976 1.00 0.00 C ATOM 364 CG1 VAL A 27 -1.521 8.207 2.631 1.00 0.00 C ATOM 365 CG2 VAL A 27 -3.507 9.156 3.826 1.00 0.00 C ATOM 0 H VAL A 27 -0.410 6.746 4.686 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.149 7.123 5.469 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.550 8.927 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.334 9.189 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.574 7.686 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.158 7.630 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.293 10.125 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.197 8.604 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.959 9.303 4.807 1.00 0.00 H new ATOM 375 N HIS A 28 -2.387 5.242 2.938 1.00 0.00 N ATOM 376 CA HIS A 28 -2.916 4.329 1.930 1.00 0.00 C ATOM 377 C HIS A 28 -4.006 3.440 2.522 1.00 0.00 C ATOM 378 O HIS A 28 -5.073 3.274 1.930 1.00 0.00 O ATOM 379 CB HIS A 28 -1.793 3.466 1.355 1.00 0.00 C ATOM 380 CG HIS A 28 -2.282 2.352 0.480 1.00 0.00 C ATOM 381 ND1 HIS A 28 -2.605 2.526 -0.849 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.502 1.045 0.751 1.00 0.00 C ATOM 383 CE1 HIS A 28 -3.003 1.373 -1.358 1.00 0.00 C ATOM 384 NE2 HIS A 28 -2.950 0.458 -0.407 1.00 0.00 N ATOM 0 H HIS A 28 -1.382 5.161 3.095 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.353 4.924 1.128 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.117 4.099 0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.213 3.044 2.176 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -2.546 3.407 -1.360 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.353 0.554 1.701 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.318 1.207 -2.378 1.00 0.00 H new ATOM 392 N ILE A 29 -3.729 2.871 3.690 1.00 0.00 N ATOM 393 CA ILE A 29 -4.686 1.999 4.360 1.00 0.00 C ATOM 394 C ILE A 29 -5.690 2.808 5.173 1.00 0.00 C ATOM 395 O ILE A 29 -6.860 2.439 5.277 1.00 0.00 O ATOM 396 CB ILE A 29 -3.978 0.996 5.290 1.00 0.00 C ATOM 397 CG1 ILE A 29 -2.903 0.225 4.521 1.00 0.00 C ATOM 398 CG2 ILE A 29 -4.989 0.037 5.902 1.00 0.00 C ATOM 399 CD1 ILE A 29 -1.582 0.957 4.433 1.00 0.00 C ATOM 0 H ILE A 29 -2.850 2.998 4.192 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.213 1.449 3.580 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.496 1.549 6.096 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.744 -0.739 5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.264 0.021 3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.474 -0.666 6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.722 0.601 6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.497 -0.512 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.867 0.352 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.727 1.910 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.198 1.137 5.437 1.00 0.00 H new ATOM 411 N GLU A 30 -5.226 3.914 5.747 1.00 0.00 N ATOM 412 CA GLU A 30 -6.085 4.775 6.550 1.00 0.00 C ATOM 413 C GLU A 30 -7.248 5.311 5.720 1.00 0.00 C ATOM 414 O GLU A 30 -8.195 5.884 6.257 1.00 0.00 O ATOM 415 CB GLU A 30 -5.278 5.940 7.129 1.00 0.00 C ATOM 416 CG GLU A 30 -6.004 6.695 8.230 1.00 0.00 C ATOM 417 CD GLU A 30 -6.022 5.936 9.543 1.00 0.00 C ATOM 418 OE1 GLU A 30 -6.634 4.848 9.590 1.00 0.00 O ATOM 419 OE2 GLU A 30 -5.425 6.429 10.522 1.00 0.00 O ATOM 0 H GLU A 30 -4.261 4.234 5.671 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.490 4.180 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.336 5.558 7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.031 6.634 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.524 7.662 8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.028 6.893 7.915 1.00 0.00 H new ATOM 426 N ARG A 31 -7.168 5.119 4.408 1.00 0.00 N ATOM 427 CA ARG A 31 -8.212 5.583 3.502 1.00 0.00 C ATOM 428 C ARG A 31 -8.757 4.431 2.664 1.00 0.00 C ATOM 429 O ARG A 31 -9.943 4.107 2.730 1.00 0.00 O ATOM 430 CB ARG A 31 -7.671 6.683 2.587 1.00 0.00 C ATOM 431 CG ARG A 31 -7.283 7.954 3.326 1.00 0.00 C ATOM 432 CD ARG A 31 -8.505 8.775 3.702 1.00 0.00 C ATOM 433 NE ARG A 31 -9.100 9.435 2.543 1.00 0.00 N ATOM 434 CZ ARG A 31 -8.626 10.557 2.013 1.00 0.00 C ATOM 435 NH1 ARG A 31 -7.557 11.142 2.535 1.00 0.00 N ATOM 436 NH2 ARG A 31 -9.222 11.097 0.957 1.00 0.00 N ATOM 0 H ARG A 31 -6.391 4.645 3.948 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.026 5.988 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.800 6.304 2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.425 6.924 1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.725 7.697 4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.620 8.552 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.246 8.128 4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.224 9.525 4.441 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.924 9.011 2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.096 10.731 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.196 12.003 2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.045 10.650 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.857 11.959 0.551 1.00 0.00 H new ATOM 450 N VAL A 32 -7.882 3.815 1.874 1.00 0.00 N ATOM 451 CA VAL A 32 -8.275 2.699 1.022 1.00 0.00 C ATOM 452 C VAL A 32 -8.946 1.598 1.835 1.00 0.00 C ATOM 453 O VAL A 32 -10.165 1.428 1.783 1.00 0.00 O ATOM 454 CB VAL A 32 -7.063 2.107 0.279 1.00 0.00 C ATOM 455 CG1 VAL A 32 -7.492 0.944 -0.602 1.00 0.00 C ATOM 456 CG2 VAL A 32 -6.366 3.180 -0.543 1.00 0.00 C ATOM 0 H VAL A 32 -6.897 4.070 1.807 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.983 3.091 0.292 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.355 1.730 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.622 0.539 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.942 0.167 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.220 1.292 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.512 2.744 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.064 3.589 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.022 3.977 0.116 1.00 0.00 H new ATOM 466 N HIS A 33 -8.144 0.851 2.586 1.00 0.00 N ATOM 467 CA HIS A 33 -8.661 -0.235 3.412 1.00 0.00 C ATOM 468 C HIS A 33 -9.087 0.281 4.783 1.00 0.00 C ATOM 469 O HIS A 33 -8.403 0.060 5.782 1.00 0.00 O ATOM 470 CB HIS A 33 -7.605 -1.329 3.572 1.00 0.00 C ATOM 471 CG HIS A 33 -6.829 -1.600 2.320 1.00 0.00 C ATOM 472 ND1 HIS A 33 -7.377 -2.209 1.212 1.00 0.00 N ATOM 473 CD2 HIS A 33 -5.538 -1.339 2.005 1.00 0.00 C ATOM 474 CE1 HIS A 33 -6.457 -2.313 0.269 1.00 0.00 C ATOM 475 NE2 HIS A 33 -5.333 -1.792 0.725 1.00 0.00 N ATOM 0 H HIS A 33 -7.133 0.977 2.640 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.535 -0.654 2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.913 -1.042 4.364 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.093 -2.249 3.894 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.342 -2.529 1.132 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.806 -0.863 2.641 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.600 -2.750 -0.708 1.00 0.00 H new ATOM 483 N LYS A 34 -10.222 0.971 4.823 1.00 0.00 N ATOM 484 CA LYS A 34 -10.742 1.519 6.071 1.00 0.00 C ATOM 485 C LYS A 34 -12.078 0.877 6.432 1.00 0.00 C ATOM 486 O LYS A 34 -12.926 0.656 5.568 1.00 0.00 O ATOM 487 CB LYS A 34 -10.906 3.036 5.956 1.00 0.00 C ATOM 488 CG LYS A 34 -11.956 3.459 4.943 1.00 0.00 C ATOM 489 CD LYS A 34 -12.053 4.972 4.840 1.00 0.00 C ATOM 490 CE LYS A 34 -13.281 5.399 4.050 1.00 0.00 C ATOM 491 NZ LYS A 34 -13.564 6.852 4.209 1.00 0.00 N ATOM 0 H LYS A 34 -10.800 1.164 4.005 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.027 1.297 6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.172 3.439 6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.948 3.477 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.710 3.042 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.925 3.050 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.094 5.404 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.156 5.363 4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.131 5.171 2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.145 4.822 4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.408 7.104 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.732 7.065 5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.750 7.403 3.870 1.00 0.00 H new ATOM 505 N LYS A 35 -12.260 0.582 7.715 1.00 0.00 N ATOM 506 CA LYS A 35 -13.493 -0.031 8.192 1.00 0.00 C ATOM 507 C LYS A 35 -14.314 0.962 9.009 1.00 0.00 C ATOM 508 O LYS A 35 -14.289 0.937 10.240 1.00 0.00 O ATOM 509 CB LYS A 35 -13.179 -1.267 9.038 1.00 0.00 C ATOM 510 CG LYS A 35 -14.410 -2.069 9.423 1.00 0.00 C ATOM 511 CD LYS A 35 -14.041 -3.468 9.888 1.00 0.00 C ATOM 512 CE LYS A 35 -15.073 -4.024 10.857 1.00 0.00 C ATOM 513 NZ LYS A 35 -14.629 -5.309 11.464 1.00 0.00 N ATOM 0 H LYS A 35 -11.568 0.758 8.443 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.079 -0.332 7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.494 -1.911 8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.661 -0.954 9.945 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.949 -1.551 10.216 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.084 -2.134 8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.957 -4.129 9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.063 -3.446 10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.260 -3.295 11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.017 -4.177 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.360 -5.655 12.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.475 -6.012 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.742 -5.159 11.985 1.00 0.00 H new ATOM 527 N ILE A 36 -15.040 1.834 8.317 1.00 0.00 N ATOM 528 CA ILE A 36 -15.869 2.833 8.979 1.00 0.00 C ATOM 529 C ILE A 36 -17.091 2.190 9.627 1.00 0.00 C ATOM 530 O ILE A 36 -17.627 1.203 9.125 1.00 0.00 O ATOM 531 CB ILE A 36 -16.336 3.920 7.994 1.00 0.00 C ATOM 532 CG1 ILE A 36 -16.986 5.080 8.751 1.00 0.00 C ATOM 533 CG2 ILE A 36 -17.306 3.333 6.979 1.00 0.00 C ATOM 534 CD1 ILE A 36 -18.382 4.772 9.246 1.00 0.00 C ATOM 0 H ILE A 36 -15.071 1.869 7.298 1.00 0.00 H new ATOM 0 HA ILE A 36 -15.252 3.295 9.750 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.467 4.302 7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.358 5.345 9.601 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.025 5.952 8.099 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.627 4.113 6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.812 2.537 6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.174 2.927 7.498 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.781 5.639 9.773 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -19.025 4.536 8.398 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.348 3.919 9.924 1.00 0.00 H new ATOM 546 N LYS A 37 -17.529 2.759 10.745 1.00 0.00 N ATOM 547 CA LYS A 37 -18.690 2.246 11.462 1.00 0.00 C ATOM 548 C LYS A 37 -19.851 3.233 11.396 1.00 0.00 C ATOM 549 O LYS A 37 -20.962 2.833 11.052 1.00 0.00 O ATOM 550 CB LYS A 37 -18.330 1.963 12.922 1.00 0.00 C ATOM 551 CG LYS A 37 -18.097 3.218 13.745 1.00 0.00 C ATOM 552 CD LYS A 37 -17.621 2.884 15.149 1.00 0.00 C ATOM 553 CE LYS A 37 -16.857 4.043 15.770 1.00 0.00 C ATOM 554 NZ LYS A 37 -16.847 3.969 17.257 1.00 0.00 N ATOM 0 H LYS A 37 -17.097 3.577 11.175 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.999 1.317 10.984 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.131 1.382 13.379 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.432 1.346 12.953 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.358 3.847 13.249 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.020 3.794 13.800 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.478 2.635 15.775 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.982 2.001 15.117 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.832 4.042 15.400 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.308 4.984 15.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.316 4.777 17.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.824 3.996 17.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.394 3.083 17.557 1.00 0.00 H new TER 568 LYS A 37 HETATM 569 ZN ZN A 101 -3.359 -1.527 0.068 1.00 0.00 ZN