USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=15 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 9 LYS NZ :NH3+ 169:sc= 0.852 (180deg=0) USER MOD Set 1.2: A 18 THR OG1 : rot -48:sc= 0.735 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0277 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 150:sc= -0.259 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HE2:sc= 0.318 K(o=0.32,f=-2.4!) USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.901) USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.21) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0.913 (180deg=0.87) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.601 17.949 -4.177 1.00 0.00 N ATOM 2 CA GLY A 1 21.087 19.292 -4.523 1.00 0.00 C ATOM 3 C GLY A 1 19.617 19.246 -4.914 1.00 0.00 C ATOM 4 O GLY A 1 18.860 18.410 -4.413 1.00 0.00 O ATOM 0 H1 GLY A 1 22.209 18.016 -3.336 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.803 17.313 -3.978 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.153 17.573 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.217 19.962 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.670 19.704 -5.346 1.00 0.00 H new ATOM 10 N SER A 2 19.193 20.145 -5.807 1.00 0.00 N ATOM 11 CA SER A 2 17.805 20.253 -6.295 1.00 0.00 C ATOM 12 C SER A 2 17.362 19.039 -7.131 1.00 0.00 C ATOM 13 O SER A 2 18.180 18.383 -7.782 1.00 0.00 O ATOM 14 CB SER A 2 17.634 21.532 -7.128 1.00 0.00 C ATOM 15 OG SER A 2 18.050 22.681 -6.400 1.00 0.00 O ATOM 0 H SER A 2 19.816 20.837 -6.224 1.00 0.00 H new ATOM 0 HA SER A 2 17.170 20.287 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.215 21.451 -8.047 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.590 21.642 -7.420 1.00 0.00 H new ATOM 0 HG SER A 2 17.932 23.480 -6.955 1.00 0.00 H new ATOM 21 N SER A 3 16.057 18.753 -7.132 1.00 0.00 N ATOM 22 CA SER A 3 15.429 17.653 -7.883 1.00 0.00 C ATOM 23 C SER A 3 14.001 18.004 -8.328 1.00 0.00 C ATOM 24 O SER A 3 13.315 18.800 -7.680 1.00 0.00 O ATOM 25 CB SER A 3 15.415 16.383 -7.021 1.00 0.00 C ATOM 26 OG SER A 3 14.876 15.288 -7.745 1.00 0.00 O ATOM 0 H SER A 3 15.383 19.297 -6.593 1.00 0.00 H new ATOM 0 HA SER A 3 16.019 17.482 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.429 16.147 -6.697 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.825 16.555 -6.121 1.00 0.00 H new ATOM 0 HG SER A 3 14.878 14.488 -7.178 1.00 0.00 H new ATOM 32 N GLY A 4 13.538 17.389 -9.423 1.00 0.00 N ATOM 33 CA GLY A 4 12.151 17.475 -9.897 1.00 0.00 C ATOM 34 C GLY A 4 11.156 16.613 -9.099 1.00 0.00 C ATOM 35 O GLY A 4 9.944 16.819 -9.210 1.00 0.00 O ATOM 0 H GLY A 4 14.129 16.806 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.828 18.515 -9.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.117 17.173 -10.944 1.00 0.00 H new ATOM 39 N SER A 5 11.640 15.666 -8.285 1.00 0.00 N ATOM 40 CA SER A 5 10.811 14.789 -7.443 1.00 0.00 C ATOM 41 C SER A 5 10.195 15.529 -6.245 1.00 0.00 C ATOM 42 O SER A 5 10.820 16.419 -5.657 1.00 0.00 O ATOM 43 CB SER A 5 11.625 13.589 -6.944 1.00 0.00 C ATOM 44 OG SER A 5 12.090 12.812 -8.039 1.00 0.00 O ATOM 0 H SER A 5 12.639 15.483 -8.190 1.00 0.00 H new ATOM 0 HA SER A 5 9.992 14.441 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.472 13.937 -6.352 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.010 12.972 -6.288 1.00 0.00 H new ATOM 0 HG SER A 5 12.609 12.051 -7.703 1.00 0.00 H new ATOM 50 N SER A 6 8.976 15.140 -5.860 1.00 0.00 N ATOM 51 CA SER A 6 8.185 15.738 -4.770 1.00 0.00 C ATOM 52 C SER A 6 8.047 14.820 -3.542 1.00 0.00 C ATOM 53 O SER A 6 8.217 13.599 -3.628 1.00 0.00 O ATOM 54 CB SER A 6 6.808 16.163 -5.304 1.00 0.00 C ATOM 55 OG SER A 6 6.125 15.071 -5.903 1.00 0.00 O ATOM 0 H SER A 6 8.489 14.368 -6.316 1.00 0.00 H new ATOM 0 HA SER A 6 8.728 16.616 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.208 16.566 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.930 16.963 -6.035 1.00 0.00 H new ATOM 0 HG SER A 6 5.252 15.372 -6.232 1.00 0.00 H new ATOM 61 N GLY A 7 7.751 15.419 -2.382 1.00 0.00 N ATOM 62 CA GLY A 7 7.480 14.719 -1.117 1.00 0.00 C ATOM 63 C GLY A 7 6.035 14.213 -0.978 1.00 0.00 C ATOM 64 O GLY A 7 5.284 14.135 -1.954 1.00 0.00 O ATOM 0 H GLY A 7 7.691 16.433 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.160 13.872 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.700 15.391 -0.288 1.00 0.00 H new ATOM 68 N GLU A 8 5.636 13.888 0.258 1.00 0.00 N ATOM 69 CA GLU A 8 4.275 13.450 0.636 1.00 0.00 C ATOM 70 C GLU A 8 3.762 12.222 -0.156 1.00 0.00 C ATOM 71 O GLU A 8 2.582 12.128 -0.512 1.00 0.00 O ATOM 72 CB GLU A 8 3.290 14.640 0.647 1.00 0.00 C ATOM 73 CG GLU A 8 3.728 15.776 1.584 1.00 0.00 C ATOM 74 CD GLU A 8 2.662 16.885 1.642 1.00 0.00 C ATOM 75 OE1 GLU A 8 2.714 17.832 0.818 1.00 0.00 O ATOM 76 OE2 GLU A 8 1.764 16.828 2.519 1.00 0.00 O ATOM 0 H GLU A 8 6.271 13.922 1.056 1.00 0.00 H new ATOM 0 HA GLU A 8 4.340 13.081 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.190 15.031 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.305 14.286 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.901 15.380 2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.674 16.193 1.238 1.00 0.00 H new ATOM 83 N LYS A 9 4.662 11.269 -0.438 1.00 0.00 N ATOM 84 CA LYS A 9 4.376 10.018 -1.165 1.00 0.00 C ATOM 85 C LYS A 9 3.405 9.088 -0.418 1.00 0.00 C ATOM 86 O LYS A 9 3.299 9.134 0.811 1.00 0.00 O ATOM 87 CB LYS A 9 5.697 9.303 -1.515 1.00 0.00 C ATOM 88 CG LYS A 9 6.428 8.712 -0.292 1.00 0.00 C ATOM 89 CD LYS A 9 7.722 8.001 -0.708 1.00 0.00 C ATOM 90 CE LYS A 9 8.310 7.222 0.475 1.00 0.00 C ATOM 91 NZ LYS A 9 9.317 6.225 0.027 1.00 0.00 N ATOM 0 H LYS A 9 5.640 11.347 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 9 3.862 10.288 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.489 8.502 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.359 10.009 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.659 9.508 0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.773 8.009 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.520 7.320 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.447 8.732 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.772 7.917 1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.508 6.715 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.826 5.850 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.838 5.446 -0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.993 6.681 -0.619 1.00 0.00 H new ATOM 105 N PHE A 10 2.748 8.189 -1.154 1.00 0.00 N ATOM 106 CA PHE A 10 1.924 7.115 -0.585 1.00 0.00 C ATOM 107 C PHE A 10 2.824 5.950 -0.143 1.00 0.00 C ATOM 108 O PHE A 10 3.526 5.363 -0.968 1.00 0.00 O ATOM 109 CB PHE A 10 0.867 6.663 -1.607 1.00 0.00 C ATOM 110 CG PHE A 10 0.050 7.790 -2.212 1.00 0.00 C ATOM 111 CD1 PHE A 10 -0.949 8.429 -1.451 1.00 0.00 C ATOM 112 CD2 PHE A 10 0.307 8.219 -3.529 1.00 0.00 C ATOM 113 CE1 PHE A 10 -1.688 9.487 -2.009 1.00 0.00 C ATOM 114 CE2 PHE A 10 -0.437 9.275 -4.086 1.00 0.00 C ATOM 115 CZ PHE A 10 -1.437 9.908 -3.328 1.00 0.00 C ATOM 0 H PHE A 10 2.772 8.184 -2.174 1.00 0.00 H new ATOM 0 HA PHE A 10 1.395 7.484 0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.366 6.122 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.189 5.960 -1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.147 8.106 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.077 7.736 -4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.451 9.978 -1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.240 9.600 -5.097 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.011 10.716 -3.757 1.00 0.00 H new ATOM 125 N ALA A 11 2.827 5.619 1.152 1.00 0.00 N ATOM 126 CA ALA A 11 3.656 4.554 1.724 1.00 0.00 C ATOM 127 C ALA A 11 2.915 3.723 2.789 1.00 0.00 C ATOM 128 O ALA A 11 2.042 4.229 3.501 1.00 0.00 O ATOM 129 CB ALA A 11 4.946 5.171 2.277 1.00 0.00 C ATOM 0 H ALA A 11 2.244 6.091 1.843 1.00 0.00 H new ATOM 0 HA ALA A 11 3.902 3.848 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.570 4.387 2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.487 5.666 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.699 5.900 3.049 1.00 0.00 H new ATOM 135 N CYS A 12 3.295 2.449 2.902 1.00 0.00 N ATOM 136 CA CYS A 12 2.740 1.475 3.839 1.00 0.00 C ATOM 137 C CYS A 12 3.083 1.799 5.309 1.00 0.00 C ATOM 138 O CYS A 12 4.121 2.387 5.625 1.00 0.00 O ATOM 139 CB CYS A 12 3.246 0.105 3.379 1.00 0.00 C ATOM 140 SG CYS A 12 2.535 -1.274 4.332 1.00 0.00 S ATOM 0 H CYS A 12 4.030 2.052 2.317 1.00 0.00 H new ATOM 0 HA CYS A 12 1.650 1.496 3.827 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.007 -0.029 2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.332 0.077 3.466 1.00 0.00 H new ATOM 145 N ASP A 13 2.186 1.397 6.212 1.00 0.00 N ATOM 146 CA ASP A 13 2.338 1.512 7.669 1.00 0.00 C ATOM 147 C ASP A 13 2.900 0.226 8.314 1.00 0.00 C ATOM 148 O ASP A 13 3.253 0.223 9.496 1.00 0.00 O ATOM 149 CB ASP A 13 0.981 1.916 8.267 1.00 0.00 C ATOM 150 CG ASP A 13 1.082 2.345 9.743 1.00 0.00 C ATOM 151 OD1 ASP A 13 1.808 3.326 10.041 1.00 0.00 O ATOM 152 OD2 ASP A 13 0.397 1.745 10.605 1.00 0.00 O ATOM 0 H ASP A 13 1.301 0.967 5.942 1.00 0.00 H new ATOM 0 HA ASP A 13 3.078 2.282 7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.562 2.735 7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.289 1.078 8.184 1.00 0.00 H new ATOM 157 N TYR A 14 3.000 -0.865 7.542 1.00 0.00 N ATOM 158 CA TYR A 14 3.345 -2.214 8.017 1.00 0.00 C ATOM 159 C TYR A 14 4.662 -2.761 7.425 1.00 0.00 C ATOM 160 O TYR A 14 5.255 -3.674 8.006 1.00 0.00 O ATOM 161 CB TYR A 14 2.171 -3.160 7.710 1.00 0.00 C ATOM 162 CG TYR A 14 0.832 -2.738 8.293 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.459 -3.162 9.584 1.00 0.00 C ATOM 164 CD2 TYR A 14 -0.037 -1.920 7.544 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.779 -2.763 10.127 1.00 0.00 C ATOM 166 CE2 TYR A 14 -1.269 -1.506 8.090 1.00 0.00 C ATOM 167 CZ TYR A 14 -1.643 -1.930 9.386 1.00 0.00 C ATOM 168 OH TYR A 14 -2.831 -1.539 9.925 1.00 0.00 O ATOM 0 H TYR A 14 2.838 -0.833 6.536 1.00 0.00 H new ATOM 0 HA TYR A 14 3.517 -2.152 9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.068 -3.246 6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.417 -4.153 8.087 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.122 -3.793 10.158 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.242 -1.609 6.548 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.067 -3.096 11.113 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.926 -0.866 7.519 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.307 -0.967 9.287 1.00 0.00 H new ATOM 178 N CYS A 15 5.128 -2.210 6.296 1.00 0.00 N ATOM 179 CA CYS A 15 6.408 -2.527 5.648 1.00 0.00 C ATOM 180 C CYS A 15 6.983 -1.316 4.873 1.00 0.00 C ATOM 181 O CYS A 15 6.403 -0.227 4.869 1.00 0.00 O ATOM 182 CB CYS A 15 6.231 -3.784 4.770 1.00 0.00 C ATOM 183 SG CYS A 15 5.222 -3.460 3.303 1.00 0.00 S ATOM 0 H CYS A 15 4.600 -1.501 5.787 1.00 0.00 H new ATOM 0 HA CYS A 15 7.154 -2.750 6.411 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.210 -4.150 4.461 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.767 -4.574 5.360 1.00 0.00 H new ATOM 188 N SER A 16 8.134 -1.494 4.216 1.00 0.00 N ATOM 189 CA SER A 16 8.872 -0.435 3.495 1.00 0.00 C ATOM 190 C SER A 16 8.396 -0.191 2.050 1.00 0.00 C ATOM 191 O SER A 16 9.169 0.225 1.181 1.00 0.00 O ATOM 192 CB SER A 16 10.388 -0.692 3.563 1.00 0.00 C ATOM 193 OG SER A 16 10.818 -0.851 4.908 1.00 0.00 O ATOM 0 H SER A 16 8.596 -2.402 4.166 1.00 0.00 H new ATOM 0 HA SER A 16 8.645 0.495 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.635 -1.586 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.922 0.139 3.103 1.00 0.00 H new ATOM 0 HG SER A 16 11.784 -1.015 4.925 1.00 0.00 H new ATOM 199 N PHE A 17 7.120 -0.464 1.775 1.00 0.00 N ATOM 200 CA PHE A 17 6.488 -0.334 0.456 1.00 0.00 C ATOM 201 C PHE A 17 6.064 1.112 0.140 1.00 0.00 C ATOM 202 O PHE A 17 5.447 1.786 0.968 1.00 0.00 O ATOM 203 CB PHE A 17 5.303 -1.307 0.381 1.00 0.00 C ATOM 204 CG PHE A 17 4.461 -1.246 -0.882 1.00 0.00 C ATOM 205 CD1 PHE A 17 4.893 -1.899 -2.052 1.00 0.00 C ATOM 206 CD2 PHE A 17 3.216 -0.586 -0.874 1.00 0.00 C ATOM 207 CE1 PHE A 17 4.083 -1.898 -3.203 1.00 0.00 C ATOM 208 CE2 PHE A 17 2.400 -0.597 -2.019 1.00 0.00 C ATOM 209 CZ PHE A 17 2.834 -1.253 -3.185 1.00 0.00 C ATOM 0 H PHE A 17 6.472 -0.794 2.490 1.00 0.00 H new ATOM 0 HA PHE A 17 7.221 -0.591 -0.309 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.686 -2.322 0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.652 -1.120 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.849 -2.402 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.887 -0.069 0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.421 -2.393 -4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.440 -0.102 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.209 -1.261 -4.065 1.00 0.00 H new ATOM 219 N THR A 18 6.350 1.557 -1.087 1.00 0.00 N ATOM 220 CA THR A 18 5.863 2.818 -1.684 1.00 0.00 C ATOM 221 C THR A 18 4.886 2.508 -2.822 1.00 0.00 C ATOM 222 O THR A 18 5.039 1.514 -3.535 1.00 0.00 O ATOM 223 CB THR A 18 7.025 3.672 -2.214 1.00 0.00 C ATOM 224 OG1 THR A 18 7.947 3.952 -1.179 1.00 0.00 O ATOM 225 CG2 THR A 18 6.604 5.024 -2.788 1.00 0.00 C ATOM 0 H THR A 18 6.951 1.032 -1.723 1.00 0.00 H new ATOM 0 HA THR A 18 5.353 3.387 -0.906 1.00 0.00 H new ATOM 0 HB THR A 18 7.458 3.071 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.464 4.268 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.485 5.561 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.919 4.868 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.107 5.609 -2.014 1.00 0.00 H new ATOM 233 N CYS A 19 3.893 3.378 -3.007 1.00 0.00 N ATOM 234 CA CYS A 19 2.772 3.196 -3.929 1.00 0.00 C ATOM 235 C CYS A 19 2.514 4.432 -4.817 1.00 0.00 C ATOM 236 O CYS A 19 2.924 5.549 -4.494 1.00 0.00 O ATOM 237 CB CYS A 19 1.541 2.821 -3.092 1.00 0.00 C ATOM 238 SG CYS A 19 0.351 1.925 -4.123 1.00 0.00 S ATOM 0 H CYS A 19 3.846 4.262 -2.500 1.00 0.00 H new ATOM 0 HA CYS A 19 3.010 2.398 -4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.840 2.204 -2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.079 3.720 -2.684 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.321 1.091 -3.386 1.00 0.00 H new ATOM 244 N LEU A 20 1.808 4.232 -5.935 1.00 0.00 N ATOM 245 CA LEU A 20 1.464 5.277 -6.911 1.00 0.00 C ATOM 246 C LEU A 20 0.207 6.087 -6.519 1.00 0.00 C ATOM 247 O LEU A 20 0.060 7.235 -6.939 1.00 0.00 O ATOM 248 CB LEU A 20 1.310 4.589 -8.284 1.00 0.00 C ATOM 249 CG LEU A 20 1.062 5.527 -9.483 1.00 0.00 C ATOM 250 CD1 LEU A 20 2.199 6.529 -9.696 1.00 0.00 C ATOM 251 CD2 LEU A 20 0.921 4.695 -10.758 1.00 0.00 C ATOM 0 H LEU A 20 1.449 3.313 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 20 2.261 6.020 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.212 4.009 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.483 3.882 -8.224 1.00 0.00 H new ATOM 0 HG LEU A 20 0.152 6.085 -9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.970 7.163 -10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.310 7.148 -8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.129 5.991 -9.881 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.746 5.356 -11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.836 4.126 -10.924 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.081 4.008 -10.653 1.00 0.00 H new ATOM 263 N SER A 21 -0.693 5.504 -5.720 1.00 0.00 N ATOM 264 CA SER A 21 -1.964 6.113 -5.294 1.00 0.00 C ATOM 265 C SER A 21 -2.452 5.532 -3.966 1.00 0.00 C ATOM 266 O SER A 21 -2.278 4.337 -3.709 1.00 0.00 O ATOM 267 CB SER A 21 -3.028 5.879 -6.375 1.00 0.00 C ATOM 268 OG SER A 21 -4.295 6.366 -5.959 1.00 0.00 O ATOM 0 H SER A 21 -0.556 4.568 -5.339 1.00 0.00 H new ATOM 0 HA SER A 21 -1.796 7.181 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.729 6.376 -7.298 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.099 4.814 -6.595 1.00 0.00 H new ATOM 0 HG SER A 21 -4.955 6.207 -6.666 1.00 0.00 H new ATOM 274 N LYS A 22 -3.155 6.336 -3.155 1.00 0.00 N ATOM 275 CA LYS A 22 -3.873 5.877 -1.952 1.00 0.00 C ATOM 276 C LYS A 22 -4.888 4.768 -2.272 1.00 0.00 C ATOM 277 O LYS A 22 -5.035 3.826 -1.494 1.00 0.00 O ATOM 278 CB LYS A 22 -4.552 7.088 -1.286 1.00 0.00 C ATOM 279 CG LYS A 22 -5.151 6.755 0.090 1.00 0.00 C ATOM 280 CD LYS A 22 -5.745 8.012 0.744 1.00 0.00 C ATOM 281 CE LYS A 22 -6.428 7.716 2.088 1.00 0.00 C ATOM 282 NZ LYS A 22 -5.456 7.361 3.158 1.00 0.00 N ATOM 0 H LYS A 22 -3.243 7.339 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.155 5.437 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.824 7.891 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.341 7.461 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.925 5.996 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.380 6.333 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.953 8.745 0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.469 8.462 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.003 8.588 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.136 6.897 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.968 7.171 4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.924 6.513 2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.795 8.151 3.303 1.00 0.00 H new ATOM 296 N GLY A 23 -5.525 4.829 -3.445 1.00 0.00 N ATOM 297 CA GLY A 23 -6.476 3.815 -3.924 1.00 0.00 C ATOM 298 C GLY A 23 -5.840 2.451 -4.236 1.00 0.00 C ATOM 299 O GLY A 23 -6.512 1.427 -4.128 1.00 0.00 O ATOM 0 H GLY A 23 -5.393 5.598 -4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.253 3.677 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.966 4.189 -4.823 1.00 0.00 H new ATOM 303 N HIS A 24 -4.542 2.419 -4.555 1.00 0.00 N ATOM 304 CA HIS A 24 -3.759 1.188 -4.737 1.00 0.00 C ATOM 305 C HIS A 24 -3.097 0.742 -3.417 1.00 0.00 C ATOM 306 O HIS A 24 -3.048 -0.456 -3.123 1.00 0.00 O ATOM 307 CB HIS A 24 -2.758 1.422 -5.881 1.00 0.00 C ATOM 308 CG HIS A 24 -1.961 0.213 -6.325 1.00 0.00 C ATOM 309 ND1 HIS A 24 -1.753 -0.960 -5.629 1.00 0.00 N ATOM 310 CD2 HIS A 24 -1.288 0.091 -7.512 1.00 0.00 C ATOM 311 CE1 HIS A 24 -0.976 -1.765 -6.374 1.00 0.00 C ATOM 312 NE2 HIS A 24 -0.668 -1.167 -7.539 1.00 0.00 N ATOM 0 H HIS A 24 -3.992 3.266 -4.698 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.408 0.358 -5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.304 1.808 -6.742 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.059 2.199 -5.572 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -2.126 -1.179 -4.705 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.243 0.836 -8.293 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.646 -2.750 -6.080 1.00 0.00 H new ATOM 320 N LEU A 25 -2.667 1.685 -2.571 1.00 0.00 N ATOM 321 CA LEU A 25 -2.146 1.411 -1.226 1.00 0.00 C ATOM 322 C LEU A 25 -3.201 0.747 -0.323 1.00 0.00 C ATOM 323 O LEU A 25 -2.879 -0.155 0.450 1.00 0.00 O ATOM 324 CB LEU A 25 -1.633 2.738 -0.643 1.00 0.00 C ATOM 325 CG LEU A 25 -1.107 2.657 0.798 1.00 0.00 C ATOM 326 CD1 LEU A 25 0.006 1.625 0.961 1.00 0.00 C ATOM 327 CD2 LEU A 25 -0.567 4.025 1.215 1.00 0.00 C ATOM 0 H LEU A 25 -2.671 2.678 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.327 0.694 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.835 3.114 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.441 3.469 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.942 2.351 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.340 1.611 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.369 0.639 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.843 1.888 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.193 3.972 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.243 4.316 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.366 4.764 1.159 1.00 0.00 H new ATOM 339 N LYS A 26 -4.477 1.117 -0.478 1.00 0.00 N ATOM 340 CA LYS A 26 -5.627 0.447 0.150 1.00 0.00 C ATOM 341 C LYS A 26 -5.659 -1.058 -0.154 1.00 0.00 C ATOM 342 O LYS A 26 -5.885 -1.856 0.752 1.00 0.00 O ATOM 343 CB LYS A 26 -6.897 1.178 -0.330 1.00 0.00 C ATOM 344 CG LYS A 26 -8.254 0.553 0.034 1.00 0.00 C ATOM 345 CD LYS A 26 -8.512 0.400 1.539 1.00 0.00 C ATOM 346 CE LYS A 26 -10.011 0.142 1.753 1.00 0.00 C ATOM 347 NZ LYS A 26 -10.334 -0.182 3.164 1.00 0.00 N ATOM 0 H LYS A 26 -4.748 1.911 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.554 0.506 1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.874 2.191 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.846 1.264 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.047 1.166 -0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.322 -0.429 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.924 -0.425 1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.203 1.301 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.576 1.023 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.330 -0.680 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.353 -0.049 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.078 -1.171 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.798 0.446 3.796 1.00 0.00 H new ATOM 361 N VAL A 27 -5.360 -1.461 -1.392 1.00 0.00 N ATOM 362 CA VAL A 27 -5.292 -2.881 -1.799 1.00 0.00 C ATOM 363 C VAL A 27 -4.083 -3.579 -1.166 1.00 0.00 C ATOM 364 O VAL A 27 -4.206 -4.701 -0.681 1.00 0.00 O ATOM 365 CB VAL A 27 -5.268 -3.026 -3.337 1.00 0.00 C ATOM 366 CG1 VAL A 27 -5.378 -4.492 -3.774 1.00 0.00 C ATOM 367 CG2 VAL A 27 -6.431 -2.275 -4.001 1.00 0.00 C ATOM 0 H VAL A 27 -5.155 -0.811 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.195 -3.370 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.313 -2.605 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.357 -4.550 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.541 -5.057 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.314 -4.912 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.377 -2.403 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.377 -2.674 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.366 -1.215 -3.757 1.00 0.00 H new ATOM 377 N HIS A 28 -2.929 -2.910 -1.081 1.00 0.00 N ATOM 378 CA HIS A 28 -1.749 -3.442 -0.388 1.00 0.00 C ATOM 379 C HIS A 28 -2.018 -3.677 1.114 1.00 0.00 C ATOM 380 O HIS A 28 -1.700 -4.738 1.651 1.00 0.00 O ATOM 381 CB HIS A 28 -0.562 -2.495 -0.631 1.00 0.00 C ATOM 382 CG HIS A 28 0.702 -2.918 0.072 1.00 0.00 C ATOM 383 ND1 HIS A 28 1.634 -3.815 -0.394 1.00 0.00 N ATOM 384 CD2 HIS A 28 1.141 -2.474 1.288 1.00 0.00 C ATOM 385 CE1 HIS A 28 2.612 -3.920 0.518 1.00 0.00 C ATOM 386 NE2 HIS A 28 2.353 -3.131 1.588 1.00 0.00 N ATOM 0 H HIS A 28 -2.785 -1.986 -1.489 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.504 -4.423 -0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.369 -2.435 -1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.834 -1.493 -0.300 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.589 -4.315 -1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.645 -1.745 1.912 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.485 -4.547 0.414 1.00 0.00 H new ATOM 394 N ILE A 29 -2.668 -2.730 1.796 1.00 0.00 N ATOM 395 CA ILE A 29 -2.991 -2.833 3.230 1.00 0.00 C ATOM 396 C ILE A 29 -4.110 -3.861 3.507 1.00 0.00 C ATOM 397 O ILE A 29 -4.147 -4.444 4.590 1.00 0.00 O ATOM 398 CB ILE A 29 -3.286 -1.418 3.792 1.00 0.00 C ATOM 399 CG1 ILE A 29 -1.980 -0.582 3.780 1.00 0.00 C ATOM 400 CG2 ILE A 29 -3.869 -1.476 5.216 1.00 0.00 C ATOM 401 CD1 ILE A 29 -2.157 0.899 4.137 1.00 0.00 C ATOM 0 H ILE A 29 -2.989 -1.861 1.369 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.127 -3.226 3.766 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.036 -0.947 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.274 -1.028 4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.531 -0.651 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.061 -0.464 5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.802 -2.040 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.157 -1.966 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.190 1.400 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.834 1.367 3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.573 0.984 5.141 1.00 0.00 H new ATOM 413 N GLU A 30 -5.011 -4.115 2.551 1.00 0.00 N ATOM 414 CA GLU A 30 -6.183 -4.986 2.745 1.00 0.00 C ATOM 415 C GLU A 30 -6.071 -6.405 2.153 1.00 0.00 C ATOM 416 O GLU A 30 -6.792 -7.301 2.606 1.00 0.00 O ATOM 417 CB GLU A 30 -7.422 -4.235 2.226 1.00 0.00 C ATOM 418 CG GLU A 30 -8.743 -4.821 2.740 1.00 0.00 C ATOM 419 CD GLU A 30 -9.874 -3.788 2.614 1.00 0.00 C ATOM 420 OE1 GLU A 30 -9.971 -2.898 3.495 1.00 0.00 O ATOM 421 OE2 GLU A 30 -10.662 -3.846 1.641 1.00 0.00 O ATOM 0 H GLU A 30 -4.950 -3.720 1.613 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.262 -5.185 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.356 -3.189 2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.422 -4.257 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.996 -5.717 2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.633 -5.124 3.781 1.00 0.00 H new ATOM 428 N ARG A 31 -5.225 -6.641 1.136 1.00 0.00 N ATOM 429 CA ARG A 31 -5.091 -7.929 0.418 1.00 0.00 C ATOM 430 C ARG A 31 -3.693 -8.528 0.545 1.00 0.00 C ATOM 431 O ARG A 31 -3.568 -9.724 0.813 1.00 0.00 O ATOM 432 CB ARG A 31 -5.447 -7.761 -1.076 1.00 0.00 C ATOM 433 CG ARG A 31 -6.825 -7.155 -1.407 1.00 0.00 C ATOM 434 CD ARG A 31 -8.022 -8.058 -1.086 1.00 0.00 C ATOM 435 NE ARG A 31 -8.291 -8.143 0.357 1.00 0.00 N ATOM 436 CZ ARG A 31 -9.356 -8.631 0.959 1.00 0.00 C ATOM 437 NH1 ARG A 31 -10.360 -9.148 0.308 1.00 0.00 N ATOM 438 NH2 ARG A 31 -9.408 -8.600 2.257 1.00 0.00 N ATOM 0 H ARG A 31 -4.596 -5.923 0.777 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.792 -8.619 0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.683 -7.135 -1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.386 -8.740 -1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.936 -6.220 -0.857 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.851 -6.906 -2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.907 -7.678 -1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.834 -9.058 -1.477 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.561 -7.778 0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.341 -9.187 -0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.164 -9.514 0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.634 -8.203 2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.223 -8.972 2.744 1.00 0.00 H new ATOM 452 N VAL A 32 -2.642 -7.718 0.386 1.00 0.00 N ATOM 453 CA VAL A 32 -1.249 -8.175 0.554 1.00 0.00 C ATOM 454 C VAL A 32 -0.973 -8.414 2.041 1.00 0.00 C ATOM 455 O VAL A 32 -0.603 -9.523 2.432 1.00 0.00 O ATOM 456 CB VAL A 32 -0.237 -7.217 -0.105 1.00 0.00 C ATOM 457 CG1 VAL A 32 1.207 -7.690 0.091 1.00 0.00 C ATOM 458 CG2 VAL A 32 -0.495 -7.093 -1.613 1.00 0.00 C ATOM 0 H VAL A 32 -2.726 -6.732 0.139 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.118 -9.121 0.029 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.371 -6.251 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.888 -6.987 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.431 -7.743 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.330 -8.677 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.233 -6.411 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.402 -8.073 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.500 -6.706 -1.780 1.00 0.00 H new ATOM 468 N HIS A 33 -1.260 -7.417 2.882 1.00 0.00 N ATOM 469 CA HIS A 33 -1.317 -7.552 4.328 1.00 0.00 C ATOM 470 C HIS A 33 -2.685 -8.131 4.695 1.00 0.00 C ATOM 471 O HIS A 33 -3.740 -7.615 4.323 1.00 0.00 O ATOM 472 CB HIS A 33 -1.064 -6.202 5.013 1.00 0.00 C ATOM 473 CG HIS A 33 0.354 -5.723 4.863 1.00 0.00 C ATOM 474 ND1 HIS A 33 1.472 -6.270 5.450 1.00 0.00 N ATOM 475 CD2 HIS A 33 0.771 -4.675 4.097 1.00 0.00 C ATOM 476 CE1 HIS A 33 2.545 -5.576 5.043 1.00 0.00 C ATOM 477 NE2 HIS A 33 2.172 -4.571 4.214 1.00 0.00 N ATOM 0 H HIS A 33 -1.464 -6.471 2.561 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.535 -8.226 4.678 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.740 -5.456 4.594 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.302 -6.289 6.073 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.483 -7.067 6.086 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.137 -4.034 3.502 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.563 -5.788 5.335 1.00 0.00 H new ATOM 485 N LYS A 34 -2.646 -9.231 5.437 1.00 0.00 N ATOM 486 CA LYS A 34 -3.806 -10.023 5.895 1.00 0.00 C ATOM 487 C LYS A 34 -4.512 -9.377 7.099 1.00 0.00 C ATOM 488 O LYS A 34 -4.760 -10.015 8.125 1.00 0.00 O ATOM 489 CB LYS A 34 -3.382 -11.489 6.124 1.00 0.00 C ATOM 490 CG LYS A 34 -2.740 -12.166 4.896 1.00 0.00 C ATOM 491 CD LYS A 34 -3.696 -12.296 3.697 1.00 0.00 C ATOM 492 CE LYS A 34 -3.004 -12.955 2.495 1.00 0.00 C ATOM 493 NZ LYS A 34 -2.136 -11.999 1.757 1.00 0.00 N ATOM 0 H LYS A 34 -1.762 -9.625 5.758 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.564 -10.031 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.676 -11.525 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.257 -12.065 6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.864 -11.593 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.389 -13.158 5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.566 -12.886 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.061 -11.309 3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.404 -13.797 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.758 -13.356 1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.675 -12.489 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.715 -11.216 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.410 -11.622 2.399 1.00 0.00 H new ATOM 507 N LYS A 35 -4.847 -8.089 6.967 1.00 0.00 N ATOM 508 CA LYS A 35 -5.512 -7.227 7.964 1.00 0.00 C ATOM 509 C LYS A 35 -7.031 -7.494 8.020 1.00 0.00 C ATOM 510 O LYS A 35 -7.845 -6.586 7.830 1.00 0.00 O ATOM 511 CB LYS A 35 -5.148 -5.765 7.636 1.00 0.00 C ATOM 512 CG LYS A 35 -5.468 -4.796 8.787 1.00 0.00 C ATOM 513 CD LYS A 35 -5.647 -3.340 8.324 1.00 0.00 C ATOM 514 CE LYS A 35 -6.762 -3.123 7.282 1.00 0.00 C ATOM 515 NZ LYS A 35 -8.074 -3.681 7.714 1.00 0.00 N ATOM 0 H LYS A 35 -4.650 -7.582 6.104 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.160 -7.453 8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.085 -5.704 7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.690 -5.452 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.378 -5.125 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.666 -4.840 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.858 -2.720 9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.704 -2.989 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.872 -2.055 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.468 -3.586 6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.813 -3.390 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.018 -4.719 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.308 -3.324 8.662 1.00 0.00 H new ATOM 529 N ILE A 36 -7.399 -8.762 8.221 1.00 0.00 N ATOM 530 CA ILE A 36 -8.773 -9.296 8.098 1.00 0.00 C ATOM 531 C ILE A 36 -9.294 -9.998 9.373 1.00 0.00 C ATOM 532 O ILE A 36 -10.391 -10.561 9.362 1.00 0.00 O ATOM 533 CB ILE A 36 -8.888 -10.197 6.841 1.00 0.00 C ATOM 534 CG1 ILE A 36 -7.982 -11.448 6.926 1.00 0.00 C ATOM 535 CG2 ILE A 36 -8.594 -9.376 5.571 1.00 0.00 C ATOM 536 CD1 ILE A 36 -8.173 -12.442 5.771 1.00 0.00 C ATOM 0 H ILE A 36 -6.725 -9.481 8.485 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.433 -8.437 7.974 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.913 -10.565 6.791 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.940 -11.128 6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.177 -11.961 7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.678 -10.019 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.311 -8.559 5.492 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.585 -8.968 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.501 -13.290 5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.204 -12.794 5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.949 -11.948 4.825 1.00 0.00 H new ATOM 548 N LYS A 37 -8.523 -9.956 10.471 1.00 0.00 N ATOM 549 CA LYS A 37 -8.848 -10.526 11.796 1.00 0.00 C ATOM 550 C LYS A 37 -8.588 -9.513 12.922 1.00 0.00 C ATOM 551 O LYS A 37 -7.523 -8.854 12.906 1.00 0.00 O ATOM 552 CB LYS A 37 -8.060 -11.827 12.035 1.00 0.00 C ATOM 553 CG LYS A 37 -8.483 -12.970 11.098 1.00 0.00 C ATOM 554 CD LYS A 37 -7.737 -14.268 11.434 1.00 0.00 C ATOM 555 CE LYS A 37 -8.169 -15.386 10.477 1.00 0.00 C ATOM 556 NZ LYS A 37 -7.475 -16.665 10.780 1.00 0.00 N ATOM 557 OXT LYS A 37 -9.459 -9.381 13.811 1.00 0.00 O ATOM 0 H LYS A 37 -7.610 -9.502 10.462 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.912 -10.762 11.806 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.996 -11.630 11.901 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.198 -12.143 13.069 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.558 -13.133 11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.282 -12.689 10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.661 -14.109 11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.944 -14.560 12.464 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.247 -15.531 10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.955 -15.090 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.791 -17.398 10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.448 -16.533 10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.700 -16.960 11.752 1.00 0.00 H new TER 571 LYS A 37 HETATM 572 ZN ZN A 101 3.081 -3.137 3.362 1.00 0.00 ZN