USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 286 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 21 SER OG : rot -147:sc= 0.793 USER MOD Set 1.2: A 24 HIS : no HD1:sc= 0.66 K(o=1.5,f=-3.8!) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0404 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.004 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 19 CYS SG : rot 170:sc= -0.291 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= 1.22 (180deg=0.878) 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 17.705 18.132 2.545 1.00 0.00 N ATOM 2 CA GLY A 1 17.077 17.173 1.608 1.00 0.00 C ATOM 3 C GLY A 1 16.714 17.834 0.287 1.00 0.00 C ATOM 4 O GLY A 1 16.394 19.024 0.250 1.00 0.00 O ATOM 0 H1 GLY A 1 17.313 17.993 3.498 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.733 17.974 2.567 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.511 19.104 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.760 16.343 1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.180 16.753 2.064 1.00 0.00 H new ATOM 10 N SER A 2 16.753 17.072 -0.811 1.00 0.00 N ATOM 11 CA SER A 2 16.538 17.584 -2.183 1.00 0.00 C ATOM 12 C SER A 2 15.064 17.833 -2.548 1.00 0.00 C ATOM 13 O SER A 2 14.783 18.605 -3.469 1.00 0.00 O ATOM 14 CB SER A 2 17.150 16.615 -3.204 1.00 0.00 C ATOM 15 OG SER A 2 18.524 16.380 -2.914 1.00 0.00 O ATOM 0 H SER A 2 16.936 16.069 -0.780 1.00 0.00 H new ATOM 0 HA SER A 2 17.031 18.556 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.604 15.672 -3.190 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.050 17.027 -4.208 1.00 0.00 H new ATOM 0 HG SER A 2 18.896 15.759 -3.574 1.00 0.00 H new ATOM 21 N SER A 3 14.119 17.204 -1.838 1.00 0.00 N ATOM 22 CA SER A 3 12.667 17.389 -2.032 1.00 0.00 C ATOM 23 C SER A 3 12.120 18.571 -1.218 1.00 0.00 C ATOM 24 O SER A 3 12.573 18.831 -0.099 1.00 0.00 O ATOM 25 CB SER A 3 11.898 16.111 -1.672 1.00 0.00 C ATOM 26 OG SER A 3 12.261 15.043 -2.536 1.00 0.00 O ATOM 0 H SER A 3 14.342 16.539 -1.098 1.00 0.00 H new ATOM 0 HA SER A 3 12.518 17.611 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.106 15.835 -0.638 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.826 16.294 -1.743 1.00 0.00 H new ATOM 0 HG SER A 3 11.761 14.237 -2.288 1.00 0.00 H new ATOM 32 N GLY A 4 11.119 19.272 -1.760 1.00 0.00 N ATOM 33 CA GLY A 4 10.431 20.378 -1.080 1.00 0.00 C ATOM 34 C GLY A 4 9.539 19.921 0.084 1.00 0.00 C ATOM 35 O GLY A 4 9.007 18.807 0.077 1.00 0.00 O ATOM 0 H GLY A 4 10.758 19.086 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.174 21.081 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.821 20.917 -1.805 1.00 0.00 H new ATOM 39 N SER A 5 9.344 20.794 1.077 1.00 0.00 N ATOM 40 CA SER A 5 8.570 20.502 2.302 1.00 0.00 C ATOM 41 C SER A 5 7.078 20.219 2.033 1.00 0.00 C ATOM 42 O SER A 5 6.427 19.483 2.780 1.00 0.00 O ATOM 43 CB SER A 5 8.728 21.679 3.275 1.00 0.00 C ATOM 44 OG SER A 5 8.235 21.355 4.564 1.00 0.00 O ATOM 0 H SER A 5 9.723 21.741 1.058 1.00 0.00 H new ATOM 0 HA SER A 5 8.970 19.586 2.736 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.780 21.956 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.195 22.547 2.888 1.00 0.00 H new ATOM 0 HG SER A 5 8.351 22.123 5.161 1.00 0.00 H new ATOM 50 N SER A 6 6.541 20.745 0.927 1.00 0.00 N ATOM 51 CA SER A 6 5.171 20.509 0.442 1.00 0.00 C ATOM 52 C SER A 6 4.970 19.167 -0.291 1.00 0.00 C ATOM 53 O SER A 6 3.835 18.815 -0.623 1.00 0.00 O ATOM 54 CB SER A 6 4.755 21.676 -0.463 1.00 0.00 C ATOM 55 OG SER A 6 5.684 21.840 -1.530 1.00 0.00 O ATOM 0 H SER A 6 7.067 21.372 0.319 1.00 0.00 H new ATOM 0 HA SER A 6 4.536 20.448 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.759 21.493 -0.866 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.699 22.594 0.122 1.00 0.00 H new ATOM 0 HG SER A 6 5.402 22.587 -2.098 1.00 0.00 H new ATOM 61 N GLY A 7 6.042 18.403 -0.546 1.00 0.00 N ATOM 62 CA GLY A 7 5.988 17.096 -1.211 1.00 0.00 C ATOM 63 C GLY A 7 5.283 16.009 -0.384 1.00 0.00 C ATOM 64 O GLY A 7 5.327 16.015 0.849 1.00 0.00 O ATOM 0 H GLY A 7 6.989 18.683 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.473 17.205 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.004 16.769 -1.433 1.00 0.00 H new ATOM 68 N GLU A 8 4.630 15.064 -1.065 1.00 0.00 N ATOM 69 CA GLU A 8 3.849 13.974 -0.459 1.00 0.00 C ATOM 70 C GLU A 8 3.890 12.694 -1.321 1.00 0.00 C ATOM 71 O GLU A 8 3.911 12.764 -2.555 1.00 0.00 O ATOM 72 CB GLU A 8 2.403 14.460 -0.240 1.00 0.00 C ATOM 73 CG GLU A 8 1.526 13.463 0.529 1.00 0.00 C ATOM 74 CD GLU A 8 0.161 14.088 0.882 1.00 0.00 C ATOM 75 OE1 GLU A 8 -0.744 14.115 0.012 1.00 0.00 O ATOM 76 OE2 GLU A 8 -0.020 14.554 2.034 1.00 0.00 O ATOM 0 H GLU A 8 4.628 15.032 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 8 4.291 13.711 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.425 15.405 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.946 14.660 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.375 12.566 -0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.035 13.153 1.441 1.00 0.00 H new ATOM 83 N LYS A 9 3.883 11.523 -0.668 1.00 0.00 N ATOM 84 CA LYS A 9 3.803 10.183 -1.283 1.00 0.00 C ATOM 85 C LYS A 9 2.984 9.217 -0.416 1.00 0.00 C ATOM 86 O LYS A 9 2.808 9.454 0.782 1.00 0.00 O ATOM 87 CB LYS A 9 5.221 9.644 -1.566 1.00 0.00 C ATOM 88 CG LYS A 9 6.050 9.361 -0.297 1.00 0.00 C ATOM 89 CD LYS A 9 7.466 8.851 -0.601 1.00 0.00 C ATOM 90 CE LYS A 9 8.340 9.930 -1.259 1.00 0.00 C ATOM 91 NZ LYS A 9 9.733 9.457 -1.467 1.00 0.00 N ATOM 0 H LYS A 9 3.935 11.478 0.350 1.00 0.00 H new ATOM 0 HA LYS A 9 3.279 10.268 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.140 8.725 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.756 10.365 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.119 10.273 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.528 8.624 0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.937 8.518 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.405 7.984 -1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.906 10.216 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.348 10.823 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.293 10.212 -1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.156 9.208 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.727 8.620 -2.084 1.00 0.00 H new ATOM 105 N PHE A 10 2.513 8.120 -1.006 1.00 0.00 N ATOM 106 CA PHE A 10 1.779 7.061 -0.300 1.00 0.00 C ATOM 107 C PHE A 10 2.744 5.950 0.146 1.00 0.00 C ATOM 108 O PHE A 10 3.564 5.487 -0.650 1.00 0.00 O ATOM 109 CB PHE A 10 0.642 6.546 -1.196 1.00 0.00 C ATOM 110 CG PHE A 10 -0.294 7.634 -1.685 1.00 0.00 C ATOM 111 CD1 PHE A 10 -1.254 8.184 -0.815 1.00 0.00 C ATOM 112 CD2 PHE A 10 -0.179 8.133 -2.997 1.00 0.00 C ATOM 113 CE1 PHE A 10 -2.089 9.227 -1.252 1.00 0.00 C ATOM 114 CE2 PHE A 10 -1.028 9.161 -3.443 1.00 0.00 C ATOM 115 CZ PHE A 10 -1.983 9.710 -2.570 1.00 0.00 C ATOM 0 H PHE A 10 2.630 7.935 -2.002 1.00 0.00 H new ATOM 0 HA PHE A 10 1.324 7.457 0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.074 6.037 -2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.065 5.804 -0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.349 7.804 0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.565 7.724 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.813 9.658 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.946 9.528 -4.455 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.635 10.501 -2.910 1.00 0.00 H new ATOM 125 N ALA A 11 2.668 5.527 1.412 1.00 0.00 N ATOM 126 CA ALA A 11 3.551 4.518 2.005 1.00 0.00 C ATOM 127 C ALA A 11 2.803 3.542 2.936 1.00 0.00 C ATOM 128 O ALA A 11 1.872 3.935 3.646 1.00 0.00 O ATOM 129 CB ALA A 11 4.688 5.235 2.745 1.00 0.00 C ATOM 0 H ALA A 11 1.974 5.885 2.068 1.00 0.00 H new ATOM 0 HA ALA A 11 3.959 3.903 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.354 4.497 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.249 5.851 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.270 5.868 3.528 1.00 0.00 H new ATOM 135 N CYS A 12 3.244 2.282 2.954 1.00 0.00 N ATOM 136 CA CYS A 12 2.723 1.224 3.818 1.00 0.00 C ATOM 137 C CYS A 12 3.095 1.447 5.298 1.00 0.00 C ATOM 138 O CYS A 12 4.151 1.996 5.630 1.00 0.00 O ATOM 139 CB CYS A 12 3.223 -0.106 3.247 1.00 0.00 C ATOM 140 SG CYS A 12 2.523 -1.534 4.125 1.00 0.00 S ATOM 0 H CYS A 12 3.998 1.961 2.347 1.00 0.00 H new ATOM 0 HA CYS A 12 1.633 1.224 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.962 -0.167 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.311 -0.141 3.309 1.00 0.00 H new ATOM 145 N ASP A 13 2.207 1.010 6.193 1.00 0.00 N ATOM 146 CA ASP A 13 2.392 1.053 7.651 1.00 0.00 C ATOM 147 C ASP A 13 3.037 -0.235 8.209 1.00 0.00 C ATOM 148 O ASP A 13 3.436 -0.279 9.376 1.00 0.00 O ATOM 149 CB ASP A 13 1.031 1.344 8.304 1.00 0.00 C ATOM 150 CG ASP A 13 1.152 1.696 9.799 1.00 0.00 C ATOM 151 OD1 ASP A 13 1.825 2.702 10.133 1.00 0.00 O ATOM 152 OD2 ASP A 13 0.531 1.005 10.643 1.00 0.00 O ATOM 0 H ASP A 13 1.312 0.604 5.919 1.00 0.00 H new ATOM 0 HA ASP A 13 3.094 1.850 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.549 2.169 7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.385 0.473 8.191 1.00 0.00 H new ATOM 157 N TYR A 14 3.158 -1.280 7.379 1.00 0.00 N ATOM 158 CA TYR A 14 3.552 -2.638 7.783 1.00 0.00 C ATOM 159 C TYR A 14 4.862 -3.124 7.131 1.00 0.00 C ATOM 160 O TYR A 14 5.521 -4.013 7.681 1.00 0.00 O ATOM 161 CB TYR A 14 2.407 -3.603 7.444 1.00 0.00 C ATOM 162 CG TYR A 14 1.034 -3.211 7.967 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.621 -3.623 9.250 1.00 0.00 C ATOM 164 CD2 TYR A 14 0.167 -2.442 7.164 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.654 -3.267 9.731 1.00 0.00 C ATOM 166 CE2 TYR A 14 -1.105 -2.075 7.645 1.00 0.00 C ATOM 167 CZ TYR A 14 -1.520 -2.489 8.929 1.00 0.00 C ATOM 168 OH TYR A 14 -2.754 -2.135 9.386 1.00 0.00 O ATOM 0 H TYR A 14 2.979 -1.202 6.378 1.00 0.00 H new ATOM 0 HA TYR A 14 3.744 -2.614 8.856 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.348 -3.700 6.360 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.658 -4.587 7.839 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.284 -4.213 9.866 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.479 -2.133 6.177 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.970 -3.588 10.712 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.763 -1.477 7.032 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.214 -1.600 8.705 1.00 0.00 H new ATOM 178 N CYS A 15 5.247 -2.554 5.982 1.00 0.00 N ATOM 179 CA CYS A 15 6.481 -2.855 5.245 1.00 0.00 C ATOM 180 C CYS A 15 7.042 -1.609 4.518 1.00 0.00 C ATOM 181 O CYS A 15 6.500 -0.506 4.624 1.00 0.00 O ATOM 182 CB CYS A 15 6.229 -4.054 4.310 1.00 0.00 C ATOM 183 SG CYS A 15 5.178 -3.620 2.903 1.00 0.00 S ATOM 0 H CYS A 15 4.683 -1.840 5.521 1.00 0.00 H new ATOM 0 HA CYS A 15 7.265 -3.139 5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.183 -4.433 3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.761 -4.860 4.875 1.00 0.00 H new ATOM 188 N SER A 16 8.150 -1.777 3.791 1.00 0.00 N ATOM 189 CA SER A 16 8.879 -0.705 3.084 1.00 0.00 C ATOM 190 C SER A 16 8.344 -0.359 1.681 1.00 0.00 C ATOM 191 O SER A 16 9.047 0.212 0.843 1.00 0.00 O ATOM 192 CB SER A 16 10.385 -1.006 3.092 1.00 0.00 C ATOM 193 OG SER A 16 10.652 -2.268 2.493 1.00 0.00 O ATOM 0 H SER A 16 8.584 -2.692 3.670 1.00 0.00 H new ATOM 0 HA SER A 16 8.695 0.212 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.920 -0.223 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.756 -0.999 4.117 1.00 0.00 H new ATOM 0 HG SER A 16 11.617 -2.439 2.507 1.00 0.00 H new ATOM 199 N PHE A 17 7.077 -0.681 1.430 1.00 0.00 N ATOM 200 CA PHE A 17 6.360 -0.396 0.182 1.00 0.00 C ATOM 201 C PHE A 17 5.923 1.077 0.078 1.00 0.00 C ATOM 202 O PHE A 17 5.413 1.661 1.039 1.00 0.00 O ATOM 203 CB PHE A 17 5.161 -1.347 0.064 1.00 0.00 C ATOM 204 CG PHE A 17 4.260 -1.129 -1.139 1.00 0.00 C ATOM 205 CD1 PHE A 17 4.611 -1.664 -2.393 1.00 0.00 C ATOM 206 CD2 PHE A 17 3.051 -0.419 -0.999 1.00 0.00 C ATOM 207 CE1 PHE A 17 3.755 -1.497 -3.497 1.00 0.00 C ATOM 208 CE2 PHE A 17 2.189 -0.263 -2.101 1.00 0.00 C ATOM 209 CZ PHE A 17 2.542 -0.800 -3.351 1.00 0.00 C ATOM 0 H PHE A 17 6.497 -1.166 2.114 1.00 0.00 H new ATOM 0 HA PHE A 17 7.041 -0.565 -0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.535 -2.370 0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.558 -1.255 0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.539 -2.204 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.785 0.007 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.030 -1.905 -4.459 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.256 0.269 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.883 -0.678 -4.198 1.00 0.00 H new ATOM 219 N THR A 18 6.071 1.656 -1.116 1.00 0.00 N ATOM 220 CA THR A 18 5.576 2.994 -1.491 1.00 0.00 C ATOM 221 C THR A 18 4.803 2.943 -2.812 1.00 0.00 C ATOM 222 O THR A 18 5.030 2.060 -3.646 1.00 0.00 O ATOM 223 CB THR A 18 6.703 4.041 -1.574 1.00 0.00 C ATOM 224 OG1 THR A 18 7.716 3.627 -2.470 1.00 0.00 O ATOM 225 CG2 THR A 18 7.356 4.295 -0.215 1.00 0.00 C ATOM 0 H THR A 18 6.558 1.192 -1.883 1.00 0.00 H new ATOM 0 HA THR A 18 4.900 3.307 -0.695 1.00 0.00 H new ATOM 0 HB THR A 18 6.234 4.960 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.419 4.309 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.144 5.040 -0.324 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.606 4.660 0.487 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.784 3.366 0.162 1.00 0.00 H new ATOM 233 N CYS A 19 3.862 3.872 -2.998 1.00 0.00 N ATOM 234 CA CYS A 19 2.886 3.845 -4.089 1.00 0.00 C ATOM 235 C CYS A 19 2.573 5.240 -4.664 1.00 0.00 C ATOM 236 O CYS A 19 2.797 6.268 -4.018 1.00 0.00 O ATOM 237 CB CYS A 19 1.622 3.152 -3.554 1.00 0.00 C ATOM 238 SG CYS A 19 0.655 2.465 -4.924 1.00 0.00 S ATOM 0 H CYS A 19 3.756 4.679 -2.383 1.00 0.00 H new ATOM 0 HA CYS A 19 3.305 3.292 -4.930 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.900 2.357 -2.862 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.017 3.865 -2.994 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.288 1.705 -4.451 1.00 0.00 H new ATOM 244 N LEU A 20 2.009 5.264 -5.875 1.00 0.00 N ATOM 245 CA LEU A 20 1.559 6.467 -6.596 1.00 0.00 C ATOM 246 C LEU A 20 0.079 6.838 -6.353 1.00 0.00 C ATOM 247 O LEU A 20 -0.390 7.858 -6.862 1.00 0.00 O ATOM 248 CB LEU A 20 1.892 6.315 -8.097 1.00 0.00 C ATOM 249 CG LEU A 20 0.907 5.492 -8.961 1.00 0.00 C ATOM 250 CD1 LEU A 20 1.405 5.467 -10.407 1.00 0.00 C ATOM 251 CD2 LEU A 20 0.735 4.040 -8.504 1.00 0.00 C ATOM 0 H LEU A 20 1.845 4.409 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 20 2.108 7.315 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.967 7.313 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.878 5.857 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.060 5.984 -8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.714 4.888 -11.020 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.463 6.486 -10.790 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.393 5.009 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.029 3.533 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.698 3.530 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.356 4.023 -7.482 1.00 0.00 H new ATOM 263 N SER A 21 -0.666 6.009 -5.613 1.00 0.00 N ATOM 264 CA SER A 21 -2.120 6.119 -5.429 1.00 0.00 C ATOM 265 C SER A 21 -2.571 5.585 -4.064 1.00 0.00 C ATOM 266 O SER A 21 -2.139 4.514 -3.629 1.00 0.00 O ATOM 267 CB SER A 21 -2.803 5.340 -6.563 1.00 0.00 C ATOM 268 OG SER A 21 -4.170 5.049 -6.292 1.00 0.00 O ATOM 0 H SER A 21 -0.263 5.219 -5.110 1.00 0.00 H new ATOM 0 HA SER A 21 -2.403 7.171 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.736 5.917 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.265 4.407 -6.731 1.00 0.00 H new ATOM 0 HG SER A 21 -4.409 4.191 -6.701 1.00 0.00 H new ATOM 274 N LYS A 22 -3.500 6.300 -3.415 1.00 0.00 N ATOM 275 CA LYS A 22 -4.151 5.881 -2.159 1.00 0.00 C ATOM 276 C LYS A 22 -4.984 4.608 -2.339 1.00 0.00 C ATOM 277 O LYS A 22 -4.968 3.736 -1.472 1.00 0.00 O ATOM 278 CB LYS A 22 -5.013 7.044 -1.635 1.00 0.00 C ATOM 279 CG LYS A 22 -5.500 6.814 -0.196 1.00 0.00 C ATOM 280 CD LYS A 22 -6.305 8.023 0.307 1.00 0.00 C ATOM 281 CE LYS A 22 -6.890 7.806 1.709 1.00 0.00 C ATOM 282 NZ LYS A 22 -5.847 7.783 2.770 1.00 0.00 N ATOM 0 H LYS A 22 -3.829 7.205 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.380 5.638 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.435 7.967 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.874 7.177 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.118 5.917 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.646 6.642 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.661 8.903 0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.115 8.230 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.606 8.599 1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.441 6.866 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.297 7.634 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.177 7.010 2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.337 8.689 2.775 1.00 0.00 H new ATOM 296 N GLY A 23 -5.667 4.469 -3.479 1.00 0.00 N ATOM 297 CA GLY A 23 -6.459 3.280 -3.821 1.00 0.00 C ATOM 298 C GLY A 23 -5.591 2.036 -4.037 1.00 0.00 C ATOM 299 O GLY A 23 -5.923 0.953 -3.556 1.00 0.00 O ATOM 0 H GLY A 23 -5.687 5.189 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.176 3.084 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.034 3.479 -4.725 1.00 0.00 H new ATOM 303 N HIS A 24 -4.429 2.193 -4.675 1.00 0.00 N ATOM 304 CA HIS A 24 -3.474 1.094 -4.863 1.00 0.00 C ATOM 305 C HIS A 24 -2.757 0.720 -3.552 1.00 0.00 C ATOM 306 O HIS A 24 -2.539 -0.466 -3.293 1.00 0.00 O ATOM 307 CB HIS A 24 -2.503 1.451 -5.992 1.00 0.00 C ATOM 308 CG HIS A 24 -3.157 1.507 -7.353 1.00 0.00 C ATOM 309 ND1 HIS A 24 -3.946 2.522 -7.850 1.00 0.00 N ATOM 310 CD2 HIS A 24 -3.092 0.541 -8.324 1.00 0.00 C ATOM 311 CE1 HIS A 24 -4.342 2.183 -9.087 1.00 0.00 C ATOM 312 NE2 HIS A 24 -3.846 0.978 -9.424 1.00 0.00 N ATOM 0 H HIS A 24 -4.123 3.080 -5.075 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.019 0.197 -5.157 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.047 2.417 -5.777 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.698 0.716 -6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.554 -0.393 -8.254 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.970 2.791 -9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.990 0.482 -10.303 1.00 0.00 H new ATOM 320 N LEU A 25 -2.483 1.689 -2.666 1.00 0.00 N ATOM 321 CA LEU A 25 -2.010 1.418 -1.303 1.00 0.00 C ATOM 322 C LEU A 25 -3.075 0.691 -0.458 1.00 0.00 C ATOM 323 O LEU A 25 -2.744 -0.249 0.266 1.00 0.00 O ATOM 324 CB LEU A 25 -1.554 2.734 -0.646 1.00 0.00 C ATOM 325 CG LEU A 25 -1.094 2.564 0.816 1.00 0.00 C ATOM 326 CD1 LEU A 25 0.114 1.634 0.942 1.00 0.00 C ATOM 327 CD2 LEU A 25 -0.716 3.914 1.417 1.00 0.00 C ATOM 0 H LEU A 25 -2.584 2.682 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.157 0.742 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.736 3.158 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.374 3.451 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.935 2.124 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.399 1.547 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.143 0.649 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.949 2.042 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.394 3.775 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.096 4.355 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.580 4.578 1.393 1.00 0.00 H new ATOM 339 N LYS A 26 -4.356 1.062 -0.578 1.00 0.00 N ATOM 340 CA LYS A 26 -5.474 0.352 0.064 1.00 0.00 C ATOM 341 C LYS A 26 -5.554 -1.102 -0.415 1.00 0.00 C ATOM 342 O LYS A 26 -5.664 -1.992 0.422 1.00 0.00 O ATOM 343 CB LYS A 26 -6.777 1.142 -0.154 1.00 0.00 C ATOM 344 CG LYS A 26 -8.070 0.464 0.337 1.00 0.00 C ATOM 345 CD LYS A 26 -8.078 0.090 1.828 1.00 0.00 C ATOM 346 CE LYS A 26 -9.500 -0.323 2.232 1.00 0.00 C ATOM 347 NZ LYS A 26 -9.557 -0.863 3.614 1.00 0.00 N ATOM 0 H LYS A 26 -4.650 1.870 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.306 0.295 1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.683 2.105 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.880 1.347 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.910 1.130 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.235 -0.439 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.381 -0.727 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.746 0.936 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.163 0.539 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.870 -1.075 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.547 -0.906 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.147 -1.818 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.017 -0.243 4.251 1.00 0.00 H new ATOM 361 N VAL A 27 -5.400 -1.367 -1.718 1.00 0.00 N ATOM 362 CA VAL A 27 -5.306 -2.744 -2.246 1.00 0.00 C ATOM 363 C VAL A 27 -4.090 -3.483 -1.674 1.00 0.00 C ATOM 364 O VAL A 27 -4.246 -4.619 -1.233 1.00 0.00 O ATOM 365 CB VAL A 27 -5.316 -2.778 -3.788 1.00 0.00 C ATOM 366 CG1 VAL A 27 -5.030 -4.180 -4.353 1.00 0.00 C ATOM 367 CG2 VAL A 27 -6.690 -2.352 -4.321 1.00 0.00 C ATOM 0 H VAL A 27 -5.337 -0.644 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.199 -3.273 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.529 -2.094 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.050 -4.144 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.048 -4.514 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.790 -4.877 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.682 -2.381 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.453 -3.033 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.912 -1.339 -3.986 1.00 0.00 H new ATOM 377 N HIS A 28 -2.907 -2.859 -1.598 1.00 0.00 N ATOM 378 CA HIS A 28 -1.726 -3.468 -0.965 1.00 0.00 C ATOM 379 C HIS A 28 -2.014 -3.885 0.490 1.00 0.00 C ATOM 380 O HIS A 28 -1.833 -5.049 0.847 1.00 0.00 O ATOM 381 CB HIS A 28 -0.524 -2.509 -1.061 1.00 0.00 C ATOM 382 CG HIS A 28 0.696 -2.978 -0.302 1.00 0.00 C ATOM 383 ND1 HIS A 28 1.628 -3.886 -0.745 1.00 0.00 N ATOM 384 CD2 HIS A 28 1.093 -2.572 0.944 1.00 0.00 C ATOM 385 CE1 HIS A 28 2.563 -4.034 0.206 1.00 0.00 C ATOM 386 NE2 HIS A 28 2.278 -3.261 1.282 1.00 0.00 N ATOM 0 H HIS A 28 -2.740 -1.924 -1.970 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.476 -4.382 -1.504 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.259 -2.378 -2.110 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.821 -1.531 -0.683 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.612 -4.366 -1.645 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.585 -1.847 1.563 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.424 -4.680 0.125 1.00 0.00 H new ATOM 394 N ILE A 29 -2.534 -2.974 1.317 1.00 0.00 N ATOM 395 CA ILE A 29 -2.856 -3.249 2.728 1.00 0.00 C ATOM 396 C ILE A 29 -3.929 -4.344 2.854 1.00 0.00 C ATOM 397 O ILE A 29 -3.753 -5.292 3.618 1.00 0.00 O ATOM 398 CB ILE A 29 -3.235 -1.931 3.447 1.00 0.00 C ATOM 399 CG1 ILE A 29 -1.988 -1.018 3.546 1.00 0.00 C ATOM 400 CG2 ILE A 29 -3.814 -2.202 4.850 1.00 0.00 C ATOM 401 CD1 ILE A 29 -2.281 0.414 4.014 1.00 0.00 C ATOM 0 H ILE A 29 -2.746 -2.019 1.029 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.974 -3.646 3.230 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.007 -1.430 2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.275 -1.472 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.506 -0.976 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.070 -1.256 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.709 -2.817 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.073 -2.725 5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.351 0.981 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.968 0.892 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.733 0.387 5.006 1.00 0.00 H new ATOM 413 N GLU A 30 -5.003 -4.276 2.064 1.00 0.00 N ATOM 414 CA GLU A 30 -6.134 -5.212 2.144 1.00 0.00 C ATOM 415 C GLU A 30 -5.823 -6.616 1.581 1.00 0.00 C ATOM 416 O GLU A 30 -6.539 -7.572 1.889 1.00 0.00 O ATOM 417 CB GLU A 30 -7.343 -4.571 1.434 1.00 0.00 C ATOM 418 CG GLU A 30 -8.711 -5.111 1.879 1.00 0.00 C ATOM 419 CD GLU A 30 -9.007 -4.783 3.357 1.00 0.00 C ATOM 420 OE1 GLU A 30 -9.047 -3.581 3.712 1.00 0.00 O ATOM 421 OE2 GLU A 30 -9.209 -5.720 4.166 1.00 0.00 O ATOM 0 H GLU A 30 -5.116 -3.564 1.343 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.357 -5.384 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.319 -3.495 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.239 -4.724 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.492 -4.684 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.739 -6.191 1.734 1.00 0.00 H new ATOM 428 N ARG A 31 -4.756 -6.776 0.780 1.00 0.00 N ATOM 429 CA ARG A 31 -4.372 -8.035 0.129 1.00 0.00 C ATOM 430 C ARG A 31 -3.210 -8.711 0.853 1.00 0.00 C ATOM 431 O ARG A 31 -3.178 -9.937 0.947 1.00 0.00 O ATOM 432 CB ARG A 31 -4.024 -7.684 -1.323 1.00 0.00 C ATOM 433 CG ARG A 31 -3.821 -8.890 -2.243 1.00 0.00 C ATOM 434 CD ARG A 31 -3.446 -8.396 -3.646 1.00 0.00 C ATOM 435 NE ARG A 31 -2.049 -7.915 -3.727 1.00 0.00 N ATOM 436 CZ ARG A 31 -0.955 -8.644 -3.858 1.00 0.00 C ATOM 437 NH1 ARG A 31 -0.984 -9.947 -3.901 1.00 0.00 N ATOM 438 NH2 ARG A 31 0.211 -8.072 -3.951 1.00 0.00 N ATOM 0 H ARG A 31 -4.120 -6.009 0.563 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.188 -8.757 0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.820 -7.062 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.115 -7.083 -1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.035 -9.535 -1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.732 -9.487 -2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.590 -9.205 -4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.121 -7.590 -3.936 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.915 -6.905 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.874 -10.440 -3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.116 -10.473 -4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.284 -7.055 -3.923 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.052 -8.641 -4.052 1.00 0.00 H new ATOM 452 N VAL A 32 -2.279 -7.908 1.372 1.00 0.00 N ATOM 453 CA VAL A 32 -0.991 -8.361 1.917 1.00 0.00 C ATOM 454 C VAL A 32 -0.940 -8.300 3.452 1.00 0.00 C ATOM 455 O VAL A 32 -0.285 -9.137 4.076 1.00 0.00 O ATOM 456 CB VAL A 32 0.157 -7.545 1.279 1.00 0.00 C ATOM 457 CG1 VAL A 32 1.540 -8.059 1.692 1.00 0.00 C ATOM 458 CG2 VAL A 32 0.116 -7.592 -0.259 1.00 0.00 C ATOM 0 H VAL A 32 -2.400 -6.897 1.428 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.870 -9.413 1.658 1.00 0.00 H new ATOM 0 HB VAL A 32 0.005 -6.528 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.311 -7.452 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.644 -7.994 2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.651 -9.097 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.941 -7.005 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.208 -8.625 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.830 -7.179 -0.611 1.00 0.00 H new ATOM 468 N HIS A 33 -1.656 -7.356 4.077 1.00 0.00 N ATOM 469 CA HIS A 33 -1.597 -7.067 5.521 1.00 0.00 C ATOM 470 C HIS A 33 -2.968 -7.234 6.205 1.00 0.00 C ATOM 471 O HIS A 33 -3.438 -6.368 6.950 1.00 0.00 O ATOM 472 CB HIS A 33 -0.946 -5.694 5.745 1.00 0.00 C ATOM 473 CG HIS A 33 0.409 -5.556 5.096 1.00 0.00 C ATOM 474 ND1 HIS A 33 1.508 -6.358 5.306 1.00 0.00 N ATOM 475 CD2 HIS A 33 0.774 -4.609 4.184 1.00 0.00 C ATOM 476 CE1 HIS A 33 2.518 -5.906 4.544 1.00 0.00 C ATOM 477 NE2 HIS A 33 2.127 -4.818 3.841 1.00 0.00 N ATOM 0 H HIS A 33 -2.312 -6.753 3.580 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.963 -7.806 6.010 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.607 -4.920 5.355 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.846 -5.519 6.816 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.549 -7.160 5.934 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.136 -3.831 3.791 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.502 -6.348 4.499 1.00 0.00 H new ATOM 485 N LYS A 34 -3.616 -8.378 5.939 1.00 0.00 N ATOM 486 CA LYS A 34 -4.888 -8.804 6.555 1.00 0.00 C ATOM 487 C LYS A 34 -4.755 -9.014 8.077 1.00 0.00 C ATOM 488 O LYS A 34 -3.644 -9.139 8.605 1.00 0.00 O ATOM 489 CB LYS A 34 -5.400 -10.076 5.851 1.00 0.00 C ATOM 490 CG LYS A 34 -5.711 -9.834 4.364 1.00 0.00 C ATOM 491 CD LYS A 34 -6.267 -11.099 3.698 1.00 0.00 C ATOM 492 CE LYS A 34 -6.534 -10.833 2.212 1.00 0.00 C ATOM 493 NZ LYS A 34 -7.106 -12.027 1.536 1.00 0.00 N ATOM 0 H LYS A 34 -3.259 -9.057 5.267 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.618 -8.006 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.652 -10.864 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.299 -10.431 6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.433 -9.023 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.805 -9.517 3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.558 -11.920 3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.189 -11.406 4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.221 -9.993 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.604 -10.546 1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.274 -11.811 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.439 -12.822 1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.006 -12.285 1.990 1.00 0.00 H new ATOM 507 N LYS A 35 -5.893 -9.052 8.783 1.00 0.00 N ATOM 508 CA LYS A 35 -5.976 -9.125 10.258 1.00 0.00 C ATOM 509 C LYS A 35 -5.210 -10.326 10.836 1.00 0.00 C ATOM 510 O LYS A 35 -5.265 -11.434 10.297 1.00 0.00 O ATOM 511 CB LYS A 35 -7.447 -9.150 10.715 1.00 0.00 C ATOM 512 CG LYS A 35 -8.196 -7.848 10.376 1.00 0.00 C ATOM 513 CD LYS A 35 -9.677 -7.878 10.799 1.00 0.00 C ATOM 514 CE LYS A 35 -9.916 -7.977 12.315 1.00 0.00 C ATOM 515 NZ LYS A 35 -9.504 -6.744 13.039 1.00 0.00 N ATOM 0 H LYS A 35 -6.810 -9.033 8.337 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.496 -8.227 10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.956 -9.991 10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.486 -9.317 11.791 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.700 -7.011 10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.134 -7.669 9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.164 -6.977 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.161 -8.725 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.973 -8.168 12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.364 -8.829 12.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.685 -6.862 14.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.490 -6.574 12.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.049 -5.933 12.682 1.00 0.00 H new ATOM 529 N ILE A 36 -4.534 -10.111 11.965 1.00 0.00 N ATOM 530 CA ILE A 36 -3.583 -11.048 12.601 1.00 0.00 C ATOM 531 C ILE A 36 -4.257 -12.119 13.493 1.00 0.00 C ATOM 532 O ILE A 36 -3.776 -12.440 14.584 1.00 0.00 O ATOM 533 CB ILE A 36 -2.436 -10.271 13.299 1.00 0.00 C ATOM 534 CG1 ILE A 36 -2.953 -9.297 14.386 1.00 0.00 C ATOM 535 CG2 ILE A 36 -1.596 -9.532 12.240 1.00 0.00 C ATOM 536 CD1 ILE A 36 -1.841 -8.694 15.253 1.00 0.00 C ATOM 0 H ILE A 36 -4.633 -9.243 12.491 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.130 -11.639 11.805 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.807 -10.995 13.817 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.505 -8.489 13.905 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.657 -9.825 15.029 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.790 -8.986 12.731 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.173 -10.255 11.542 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.230 -8.832 11.696 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.279 -8.022 15.991 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.304 -9.493 15.763 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.149 -8.137 14.621 1.00 0.00 H new ATOM 548 N LYS A 37 -5.392 -12.664 13.032 1.00 0.00 N ATOM 549 CA LYS A 37 -6.173 -13.718 13.709 1.00 0.00 C ATOM 550 C LYS A 37 -5.428 -15.066 13.734 1.00 0.00 C ATOM 551 O LYS A 37 -5.311 -15.660 14.830 1.00 0.00 O ATOM 552 CB LYS A 37 -7.561 -13.815 13.048 1.00 0.00 C ATOM 553 CG LYS A 37 -8.505 -14.763 13.811 1.00 0.00 C ATOM 554 CD LYS A 37 -9.883 -14.911 13.148 1.00 0.00 C ATOM 555 CE LYS A 37 -10.687 -13.605 13.165 1.00 0.00 C ATOM 556 NZ LYS A 37 -12.045 -13.794 12.590 1.00 0.00 N ATOM 557 OXT LYS A 37 -4.968 -15.524 12.662 1.00 0.00 O ATOM 0 H LYS A 37 -5.809 -12.375 12.147 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.307 -13.449 14.757 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.008 -12.822 12.999 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.449 -14.165 12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.039 -15.745 13.887 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.636 -14.393 14.828 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.753 -15.240 12.117 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.448 -15.688 13.662 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.772 -13.242 14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.154 -12.841 12.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.562 -12.892 12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.963 -14.117 11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.561 -14.505 13.146 1.00 0.00 H new TER 571 LYS A 37 HETATM 572 ZN ZN A 101 3.035 -3.341 3.037 1.00 0.00 ZN