USER MOD reduce.3.24.130724 H: found=0, std=0, add=338, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 338 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 CYS SG : rot 159:sc= -5.02! USER MOD Set 1.2: A 36 CYS SG : rot -64:sc= -6.47! USER MOD Set 2.1: A 4 CYS SG : rot -178:sc= -10.7! USER MOD Set 2.2: A 17 CYS SG : rot 124:sc= -6.85! USER MOD Set 3.1: A 8 CYS SG : rot 75:sc= -4.97! USER MOD Set 3.2: A 31 CYS SG : rot 33:sc= -11! USER MOD Single : A 1 ILE N :NH3+ 149:sc= -0.0594 (180deg=-0.208) USER MOD Single : A 7 SER OG : rot 100:sc= -1.09! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= -0.223 (180deg=-0.796) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.0656 (180deg=-0.399) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -136:sc= -1.16 (180deg=-3.25!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.415 -1.058 -2.053 1.00 41.33 N ATOM 2 CA ILE A 1 0.452 -1.862 -2.917 1.00 0.34 C ATOM 3 C ILE A 1 1.768 -2.138 -2.236 1.00 73.41 C ATOM 4 O ILE A 1 2.297 -1.291 -1.508 1.00 23.24 O ATOM 5 CB ILE A 1 0.722 -1.192 -4.289 1.00 34.44 C ATOM 6 CG1 ILE A 1 1.182 0.271 -4.112 1.00 63.14 C ATOM 7 CG2 ILE A 1 -0.490 -1.309 -5.197 1.00 60.01 C ATOM 8 CD1 ILE A 1 1.531 0.978 -5.402 1.00 63.11 C ATOM 0 H1 ILE A 1 -1.026 -0.454 -2.639 1.00 41.33 H new ATOM 0 H2 ILE A 1 -1.005 -1.687 -1.472 1.00 41.33 H new ATOM 0 H3 ILE A 1 0.169 -0.461 -1.433 1.00 41.33 H new ATOM 0 HA ILE A 1 -0.080 -2.795 -3.101 1.00 0.34 H new ATOM 0 HB ILE A 1 1.539 -1.724 -4.776 1.00 34.44 H new ATOM 0 HG12 ILE A 1 0.392 0.829 -3.609 1.00 63.14 H new ATOM 0 HG13 ILE A 1 2.052 0.288 -3.456 1.00 63.14 H new ATOM 0 HG21 ILE A 1 -0.276 -0.832 -6.153 1.00 60.01 H new ATOM 0 HG22 ILE A 1 -0.722 -2.361 -5.361 1.00 60.01 H new ATOM 0 HG23 ILE A 1 -1.344 -0.818 -4.730 1.00 60.01 H new ATOM 0 HD11 ILE A 1 1.843 1.999 -5.184 1.00 63.11 H new ATOM 0 HD12 ILE A 1 2.344 0.448 -5.899 1.00 63.11 H new ATOM 0 HD13 ILE A 1 0.658 0.997 -6.054 1.00 63.11 H new ATOM 22 N PHE A 2 2.288 -3.301 -2.458 1.00 40.34 N ATOM 23 CA PHE A 2 3.536 -3.704 -1.904 1.00 51.24 C ATOM 24 C PHE A 2 4.414 -4.084 -3.070 1.00 35.30 C ATOM 25 O PHE A 2 4.418 -5.235 -3.522 1.00 11.51 O ATOM 26 CB PHE A 2 3.334 -4.895 -0.959 1.00 14.52 C ATOM 27 CG PHE A 2 4.482 -5.180 -0.034 1.00 22.41 C ATOM 28 CD1 PHE A 2 5.602 -5.879 -0.458 1.00 54.33 C ATOM 29 CD2 PHE A 2 4.418 -4.767 1.287 1.00 44.12 C ATOM 30 CE1 PHE A 2 6.620 -6.150 0.420 1.00 71.43 C ATOM 31 CE2 PHE A 2 5.444 -5.034 2.165 1.00 1.14 C ATOM 32 CZ PHE A 2 6.545 -5.728 1.732 1.00 3.31 C ATOM 0 H PHE A 2 1.847 -4.011 -3.042 1.00 40.34 H new ATOM 0 HA PHE A 2 3.993 -2.906 -1.319 1.00 51.24 H new ATOM 0 HB2 PHE A 2 2.442 -4.715 -0.360 1.00 14.52 H new ATOM 0 HB3 PHE A 2 3.142 -5.785 -1.558 1.00 14.52 H new ATOM 0 HD1 PHE A 2 5.673 -6.211 -1.483 1.00 54.33 H new ATOM 0 HD2 PHE A 2 3.549 -4.227 1.633 1.00 44.12 H new ATOM 0 HE1 PHE A 2 7.487 -6.698 0.082 1.00 71.43 H new ATOM 0 HE2 PHE A 2 5.382 -4.699 3.190 1.00 1.14 H new ATOM 0 HZ PHE A 2 7.352 -5.944 2.417 1.00 3.31 H new ATOM 42 N GLU A 3 5.091 -3.117 -3.605 1.00 62.34 N ATOM 43 CA GLU A 3 5.874 -3.314 -4.782 1.00 0.15 C ATOM 44 C GLU A 3 7.123 -2.474 -4.733 1.00 32.22 C ATOM 45 O GLU A 3 7.258 -1.611 -3.850 1.00 41.45 O ATOM 46 CB GLU A 3 5.063 -2.961 -6.035 1.00 65.10 C ATOM 47 CG GLU A 3 4.553 -1.533 -6.067 1.00 5.24 C ATOM 48 CD GLU A 3 3.948 -1.185 -7.391 1.00 13.43 C ATOM 49 OE1 GLU A 3 2.755 -1.417 -7.591 1.00 63.22 O ATOM 50 OE2 GLU A 3 4.675 -0.683 -8.269 1.00 14.33 O ATOM 0 H GLU A 3 5.116 -2.166 -3.236 1.00 62.34 H new ATOM 0 HA GLU A 3 6.156 -4.366 -4.828 1.00 0.15 H new ATOM 0 HB2 GLU A 3 5.683 -3.133 -6.915 1.00 65.10 H new ATOM 0 HB3 GLU A 3 4.213 -3.640 -6.106 1.00 65.10 H new ATOM 0 HG2 GLU A 3 3.810 -1.395 -5.281 1.00 5.24 H new ATOM 0 HG3 GLU A 3 5.374 -0.849 -5.852 1.00 5.24 H new ATOM 57 N CYS A 4 8.019 -2.751 -5.671 1.00 50.22 N ATOM 58 CA CYS A 4 9.255 -2.032 -5.895 1.00 34.41 C ATOM 59 C CYS A 4 10.025 -2.831 -6.984 1.00 22.25 C ATOM 60 O CYS A 4 9.409 -3.429 -7.869 1.00 63.24 O ATOM 61 CB CYS A 4 10.093 -1.885 -4.573 1.00 42.31 C ATOM 62 SG CYS A 4 11.041 -3.308 -4.066 1.00 15.11 S ATOM 0 H CYS A 4 7.892 -3.523 -6.326 1.00 50.22 H new ATOM 0 HA CYS A 4 9.061 -1.011 -6.224 1.00 34.41 H new ATOM 0 HB2 CYS A 4 10.777 -1.046 -4.695 1.00 42.31 H new ATOM 0 HB3 CYS A 4 9.410 -1.625 -3.764 1.00 42.31 H new ATOM 0 HG CYS A 4 11.638 -3.053 -2.940 1.00 15.11 H new ATOM 68 N VAL A 5 11.315 -2.903 -6.871 1.00 60.10 N ATOM 69 CA VAL A 5 12.167 -3.582 -7.807 1.00 54.21 C ATOM 70 C VAL A 5 13.143 -4.343 -6.966 1.00 44.02 C ATOM 71 O VAL A 5 14.081 -3.761 -6.439 1.00 13.13 O ATOM 72 CB VAL A 5 12.970 -2.601 -8.716 1.00 73.23 C ATOM 73 CG1 VAL A 5 13.813 -3.363 -9.730 1.00 64.34 C ATOM 74 CG2 VAL A 5 12.057 -1.617 -9.418 1.00 3.21 C ATOM 0 H VAL A 5 11.825 -2.476 -6.098 1.00 60.10 H new ATOM 0 HA VAL A 5 11.565 -4.204 -8.469 1.00 54.21 H new ATOM 0 HB VAL A 5 13.638 -2.033 -8.069 1.00 73.23 H new ATOM 0 HG11 VAL A 5 14.363 -2.656 -10.351 1.00 64.34 H new ATOM 0 HG12 VAL A 5 14.517 -4.009 -9.206 1.00 64.34 H new ATOM 0 HG13 VAL A 5 13.163 -3.970 -10.360 1.00 64.34 H new ATOM 0 HG21 VAL A 5 12.652 -0.950 -10.042 1.00 3.21 H new ATOM 0 HG22 VAL A 5 11.347 -2.160 -10.042 1.00 3.21 H new ATOM 0 HG23 VAL A 5 11.514 -1.031 -8.676 1.00 3.21 H new ATOM 84 N PHE A 6 12.935 -5.622 -6.801 1.00 14.32 N ATOM 85 CA PHE A 6 13.766 -6.360 -5.908 1.00 61.14 C ATOM 86 C PHE A 6 14.935 -6.929 -6.656 1.00 60.50 C ATOM 87 O PHE A 6 15.106 -8.141 -6.794 1.00 54.50 O ATOM 88 CB PHE A 6 13.030 -7.455 -5.187 1.00 30.23 C ATOM 89 CG PHE A 6 13.697 -7.908 -3.885 1.00 10.00 C ATOM 90 CD1 PHE A 6 14.657 -8.909 -3.869 1.00 44.24 C ATOM 91 CD2 PHE A 6 13.309 -7.345 -2.670 1.00 53.12 C ATOM 92 CE1 PHE A 6 15.216 -9.334 -2.679 1.00 31.34 C ATOM 93 CE2 PHE A 6 13.852 -7.774 -1.480 1.00 41.45 C ATOM 94 CZ PHE A 6 14.808 -8.770 -1.484 1.00 33.11 C ATOM 0 H PHE A 6 12.207 -6.162 -7.269 1.00 14.32 H new ATOM 0 HA PHE A 6 14.112 -5.663 -5.145 1.00 61.14 H new ATOM 0 HB2 PHE A 6 12.019 -7.113 -4.964 1.00 30.23 H new ATOM 0 HB3 PHE A 6 12.936 -8.314 -5.852 1.00 30.23 H new ATOM 0 HD1 PHE A 6 14.971 -9.362 -4.798 1.00 44.24 H new ATOM 0 HD2 PHE A 6 12.569 -6.558 -2.662 1.00 53.12 H new ATOM 0 HE1 PHE A 6 15.971 -10.106 -2.682 1.00 31.34 H new ATOM 0 HE2 PHE A 6 13.532 -7.333 -0.547 1.00 41.45 H new ATOM 0 HZ PHE A 6 15.238 -9.109 -0.553 1.00 33.11 H new ATOM 104 N SER A 7 15.683 -6.051 -7.218 1.00 63.11 N ATOM 105 CA SER A 7 16.929 -6.401 -7.810 1.00 2.33 C ATOM 106 C SER A 7 17.986 -6.286 -6.710 1.00 44.53 C ATOM 107 O SER A 7 19.180 -6.451 -6.918 1.00 34.44 O ATOM 108 CB SER A 7 17.190 -5.462 -8.952 1.00 23.12 C ATOM 109 OG SER A 7 17.085 -4.129 -8.502 1.00 2.34 O ATOM 0 H SER A 7 15.449 -5.060 -7.282 1.00 63.11 H new ATOM 0 HA SER A 7 16.940 -7.415 -8.211 1.00 2.33 H new ATOM 0 HB2 SER A 7 18.184 -5.641 -9.363 1.00 23.12 H new ATOM 0 HB3 SER A 7 16.476 -5.643 -9.755 1.00 23.12 H new ATOM 0 HG SER A 7 17.981 -3.764 -8.347 1.00 2.34 H new ATOM 115 N CYS A 8 17.477 -5.906 -5.550 1.00 14.34 N ATOM 116 CA CYS A 8 18.158 -5.812 -4.288 1.00 44.22 C ATOM 117 C CYS A 8 19.362 -4.845 -4.308 1.00 40.32 C ATOM 118 O CYS A 8 20.216 -4.841 -3.407 1.00 55.35 O ATOM 119 CB CYS A 8 18.442 -7.218 -3.720 1.00 41.25 C ATOM 120 SG CYS A 8 18.927 -7.258 -1.972 1.00 35.30 S ATOM 0 H CYS A 8 16.497 -5.635 -5.470 1.00 14.34 H new ATOM 0 HA CYS A 8 17.489 -5.333 -3.573 1.00 44.22 H new ATOM 0 HB2 CYS A 8 17.550 -7.832 -3.848 1.00 41.25 H new ATOM 0 HB3 CYS A 8 19.233 -7.679 -4.311 1.00 41.25 H new ATOM 0 HG CYS A 8 17.880 -7.061 -1.227 1.00 35.30 H new ATOM 126 N ASP A 9 19.407 -4.014 -5.345 1.00 21.44 N ATOM 127 CA ASP A 9 20.316 -2.880 -5.389 1.00 5.12 C ATOM 128 C ASP A 9 19.878 -1.966 -4.308 1.00 3.14 C ATOM 129 O ASP A 9 18.698 -1.815 -4.120 1.00 61.01 O ATOM 130 CB ASP A 9 20.136 -2.092 -6.672 1.00 63.12 C ATOM 131 CG ASP A 9 20.491 -2.839 -7.924 1.00 1.44 C ATOM 132 OD1 ASP A 9 19.634 -3.542 -8.459 1.00 73.11 O ATOM 133 OD2 ASP A 9 21.642 -2.704 -8.415 1.00 13.03 O ATOM 0 H ASP A 9 18.817 -4.109 -6.172 1.00 21.44 H new ATOM 0 HA ASP A 9 21.344 -3.233 -5.304 1.00 5.12 H new ATOM 0 HB2 ASP A 9 19.097 -1.769 -6.741 1.00 63.12 H new ATOM 0 HB3 ASP A 9 20.747 -1.191 -6.617 1.00 63.12 H new ATOM 138 N ILE A 10 20.774 -1.322 -3.639 1.00 2.30 N ATOM 139 CA ILE A 10 20.361 -0.411 -2.585 1.00 75.14 C ATOM 140 C ILE A 10 19.923 0.923 -3.181 1.00 25.33 C ATOM 141 O ILE A 10 19.394 1.800 -2.488 1.00 40.15 O ATOM 142 CB ILE A 10 21.421 -0.224 -1.476 1.00 62.32 C ATOM 143 CG1 ILE A 10 22.751 0.275 -2.046 1.00 41.12 C ATOM 144 CG2 ILE A 10 21.608 -1.530 -0.712 1.00 52.02 C ATOM 145 CD1 ILE A 10 23.805 0.540 -0.993 1.00 10.02 C ATOM 0 H ILE A 10 21.781 -1.395 -3.786 1.00 2.30 H new ATOM 0 HA ILE A 10 19.508 -0.872 -2.087 1.00 75.14 H new ATOM 0 HB ILE A 10 21.063 0.540 -0.786 1.00 62.32 H new ATOM 0 HG12 ILE A 10 23.133 -0.463 -2.752 1.00 41.12 H new ATOM 0 HG13 ILE A 10 22.574 1.192 -2.608 1.00 41.12 H new ATOM 0 HG21 ILE A 10 22.356 -1.391 0.068 1.00 52.02 H new ATOM 0 HG22 ILE A 10 20.662 -1.825 -0.259 1.00 52.02 H new ATOM 0 HG23 ILE A 10 21.940 -2.309 -1.399 1.00 52.02 H new ATOM 0 HD11 ILE A 10 24.719 0.890 -1.473 1.00 10.02 H new ATOM 0 HD12 ILE A 10 23.444 1.300 -0.300 1.00 10.02 H new ATOM 0 HD13 ILE A 10 24.012 -0.380 -0.446 1.00 10.02 H new ATOM 157 N LYS A 11 20.164 1.059 -4.469 1.00 71.11 N ATOM 158 CA LYS A 11 19.687 2.185 -5.240 1.00 44.40 C ATOM 159 C LYS A 11 18.184 2.007 -5.521 1.00 1.24 C ATOM 160 O LYS A 11 17.367 2.906 -5.257 1.00 32.35 O ATOM 161 CB LYS A 11 20.438 2.258 -6.578 1.00 51.23 C ATOM 162 CG LYS A 11 19.979 3.391 -7.488 1.00 53.35 C ATOM 163 CD LYS A 11 20.580 3.272 -8.878 1.00 42.22 C ATOM 164 CE LYS A 11 20.085 4.385 -9.783 1.00 43.31 C ATOM 165 NZ LYS A 11 20.563 4.237 -11.170 1.00 3.21 N ATOM 0 H LYS A 11 20.701 0.384 -5.013 1.00 71.11 H new ATOM 0 HA LYS A 11 19.858 3.102 -4.677 1.00 44.40 H new ATOM 0 HB2 LYS A 11 21.503 2.375 -6.379 1.00 51.23 H new ATOM 0 HB3 LYS A 11 20.315 1.311 -7.104 1.00 51.23 H new ATOM 0 HG2 LYS A 11 18.891 3.383 -7.560 1.00 53.35 H new ATOM 0 HG3 LYS A 11 20.262 4.348 -7.049 1.00 53.35 H new ATOM 0 HD2 LYS A 11 21.667 3.309 -8.812 1.00 42.22 H new ATOM 0 HD3 LYS A 11 20.319 2.305 -9.309 1.00 42.22 H new ATOM 0 HE2 LYS A 11 18.995 4.397 -9.777 1.00 43.31 H new ATOM 0 HE3 LYS A 11 20.417 5.345 -9.388 1.00 43.31 H new ATOM 0 HZ1 LYS A 11 20.198 5.021 -11.748 1.00 3.21 H new ATOM 0 HZ2 LYS A 11 21.603 4.252 -11.182 1.00 3.21 H new ATOM 0 HZ3 LYS A 11 20.225 3.333 -11.559 1.00 3.21 H new ATOM 179 N LYS A 12 17.834 0.831 -6.045 1.00 75.43 N ATOM 180 CA LYS A 12 16.460 0.531 -6.438 1.00 31.22 C ATOM 181 C LYS A 12 15.694 0.078 -5.216 1.00 60.22 C ATOM 182 O LYS A 12 14.802 0.778 -4.715 1.00 11.03 O ATOM 183 CB LYS A 12 16.419 -0.578 -7.512 1.00 71.11 C ATOM 184 CG LYS A 12 17.464 -0.429 -8.603 1.00 4.14 C ATOM 185 CD LYS A 12 17.154 -1.308 -9.802 1.00 72.11 C ATOM 186 CE LYS A 12 18.171 -1.106 -10.906 1.00 43.33 C ATOM 187 NZ LYS A 12 17.893 -1.953 -12.087 1.00 53.14 N ATOM 0 H LYS A 12 18.490 0.067 -6.207 1.00 75.43 H new ATOM 0 HA LYS A 12 16.009 1.429 -6.860 1.00 31.22 H new ATOM 0 HB2 LYS A 12 16.554 -1.544 -7.025 1.00 71.11 H new ATOM 0 HB3 LYS A 12 15.430 -0.587 -7.971 1.00 71.11 H new ATOM 0 HG2 LYS A 12 17.514 0.613 -8.919 1.00 4.14 H new ATOM 0 HG3 LYS A 12 18.445 -0.689 -8.205 1.00 4.14 H new ATOM 0 HD2 LYS A 12 17.147 -2.354 -9.497 1.00 72.11 H new ATOM 0 HD3 LYS A 12 16.156 -1.079 -10.176 1.00 72.11 H new ATOM 0 HE2 LYS A 12 18.175 -0.058 -11.206 1.00 43.33 H new ATOM 0 HE3 LYS A 12 19.167 -1.333 -10.525 1.00 43.33 H new ATOM 0 HZ1 LYS A 12 18.615 -1.780 -12.816 1.00 53.14 H new ATOM 0 HZ2 LYS A 12 17.915 -2.955 -11.809 1.00 53.14 H new ATOM 0 HZ3 LYS A 12 16.954 -1.720 -12.468 1.00 53.14 H new ATOM 201 N GLU A 13 16.076 -1.078 -4.729 1.00 71.05 N ATOM 202 CA GLU A 13 15.569 -1.636 -3.550 1.00 50.45 C ATOM 203 C GLU A 13 16.359 -1.031 -2.363 1.00 74.23 C ATOM 204 O GLU A 13 16.929 0.061 -2.484 1.00 71.43 O ATOM 205 CB GLU A 13 15.788 -3.141 -3.622 1.00 73.42 C ATOM 206 CG GLU A 13 14.530 -3.899 -3.335 1.00 74.22 C ATOM 207 CD GLU A 13 13.941 -3.454 -2.051 1.00 71.52 C ATOM 208 OE1 GLU A 13 14.398 -3.900 -1.003 1.00 23.22 O ATOM 209 OE2 GLU A 13 13.075 -2.586 -2.088 1.00 61.14 O ATOM 0 H GLU A 13 16.780 -1.661 -5.181 1.00 71.05 H new ATOM 0 HA GLU A 13 14.507 -1.428 -3.421 1.00 50.45 H new ATOM 0 HB2 GLU A 13 16.155 -3.408 -4.613 1.00 73.42 H new ATOM 0 HB3 GLU A 13 16.558 -3.431 -2.907 1.00 73.42 H new ATOM 0 HG2 GLU A 13 13.814 -3.747 -4.143 1.00 74.22 H new ATOM 0 HG3 GLU A 13 14.743 -4.967 -3.294 1.00 74.22 H new ATOM 216 N GLY A 14 16.387 -1.690 -1.246 1.00 54.45 N ATOM 217 CA GLY A 14 17.166 -1.189 -0.139 1.00 14.33 C ATOM 218 C GLY A 14 16.263 -0.552 0.851 1.00 12.01 C ATOM 219 O GLY A 14 16.455 0.610 1.236 1.00 43.43 O ATOM 0 H GLY A 14 15.890 -2.563 -1.070 1.00 54.45 H new ATOM 0 HA2 GLY A 14 17.719 -2.003 0.328 1.00 14.33 H new ATOM 0 HA3 GLY A 14 17.901 -0.467 -0.495 1.00 14.33 H new ATOM 223 N LYS A 15 15.328 -1.349 1.301 1.00 73.11 N ATOM 224 CA LYS A 15 14.169 -0.943 2.089 1.00 62.44 C ATOM 225 C LYS A 15 13.332 -2.228 2.296 1.00 35.10 C ATOM 226 O LYS A 15 13.830 -3.293 1.943 1.00 51.25 O ATOM 227 CB LYS A 15 13.395 0.170 1.313 1.00 61.12 C ATOM 228 CG LYS A 15 13.020 -0.190 -0.114 1.00 40.22 C ATOM 229 CD LYS A 15 12.471 1.007 -0.858 1.00 53.41 C ATOM 230 CE LYS A 15 12.196 0.679 -2.318 1.00 43.44 C ATOM 231 NZ LYS A 15 11.686 1.852 -3.055 1.00 3.22 N ATOM 0 H LYS A 15 15.346 -2.353 1.124 1.00 73.11 H new ATOM 0 HA LYS A 15 14.429 -0.518 3.058 1.00 62.44 H new ATOM 0 HB2 LYS A 15 12.485 0.411 1.863 1.00 61.12 H new ATOM 0 HB3 LYS A 15 14.005 1.073 1.296 1.00 61.12 H new ATOM 0 HG2 LYS A 15 13.896 -0.575 -0.636 1.00 40.22 H new ATOM 0 HG3 LYS A 15 12.277 -0.988 -0.107 1.00 40.22 H new ATOM 0 HD2 LYS A 15 11.551 1.343 -0.380 1.00 53.41 H new ATOM 0 HD3 LYS A 15 13.181 1.832 -0.797 1.00 53.41 H new ATOM 0 HE2 LYS A 15 13.112 0.323 -2.790 1.00 43.44 H new ATOM 0 HE3 LYS A 15 11.470 -0.132 -2.378 1.00 43.44 H new ATOM 0 HZ1 LYS A 15 11.510 1.590 -4.046 1.00 3.22 H new ATOM 0 HZ2 LYS A 15 10.799 2.176 -2.620 1.00 3.22 H new ATOM 0 HZ3 LYS A 15 12.389 2.617 -3.019 1.00 3.22 H new ATOM 245 N PRO A 16 12.139 -2.209 2.944 1.00 21.02 N ATOM 246 CA PRO A 16 11.330 -3.413 3.060 1.00 1.22 C ATOM 247 C PRO A 16 10.382 -3.604 1.868 1.00 63.30 C ATOM 248 O PRO A 16 9.425 -2.843 1.678 1.00 55.22 O ATOM 249 CB PRO A 16 10.549 -3.204 4.358 1.00 40.30 C ATOM 250 CG PRO A 16 10.481 -1.716 4.556 1.00 64.11 C ATOM 251 CD PRO A 16 11.518 -1.074 3.656 1.00 21.21 C ATOM 0 HA PRO A 16 11.944 -4.314 3.068 1.00 1.22 H new ATOM 0 HB2 PRO A 16 9.551 -3.636 4.288 1.00 40.30 H new ATOM 0 HB3 PRO A 16 11.048 -3.688 5.197 1.00 40.30 H new ATOM 0 HG2 PRO A 16 9.485 -1.345 4.314 1.00 64.11 H new ATOM 0 HG3 PRO A 16 10.672 -1.462 5.599 1.00 64.11 H new ATOM 0 HD2 PRO A 16 11.060 -0.371 2.960 1.00 21.21 H new ATOM 0 HD3 PRO A 16 12.255 -0.516 4.234 1.00 21.21 H new ATOM 259 N CYS A 17 10.669 -4.590 1.080 1.00 20.01 N ATOM 260 CA CYS A 17 9.897 -4.926 -0.073 1.00 35.10 C ATOM 261 C CYS A 17 9.753 -6.441 -0.200 1.00 12.32 C ATOM 262 O CYS A 17 9.685 -7.126 0.831 1.00 52.41 O ATOM 263 CB CYS A 17 10.522 -4.344 -1.285 1.00 32.34 C ATOM 264 SG CYS A 17 10.382 -2.553 -1.437 1.00 74.32 S ATOM 0 H CYS A 17 11.472 -5.202 1.226 1.00 20.01 H new ATOM 0 HA CYS A 17 8.897 -4.506 0.034 1.00 35.10 H new ATOM 0 HB2 CYS A 17 11.579 -4.612 -1.294 1.00 32.34 H new ATOM 0 HB3 CYS A 17 10.070 -4.804 -2.164 1.00 32.34 H new ATOM 0 HG CYS A 17 11.568 -2.034 -1.557 1.00 74.32 H new ATOM 270 N LYS A 18 9.742 -6.967 -1.455 1.00 12.12 N ATOM 271 CA LYS A 18 9.371 -8.359 -1.719 1.00 52.35 C ATOM 272 C LYS A 18 10.429 -9.021 -2.560 1.00 70.52 C ATOM 273 O LYS A 18 10.789 -8.475 -3.572 1.00 2.24 O ATOM 274 CB LYS A 18 7.988 -8.444 -2.379 1.00 75.11 C ATOM 275 CG LYS A 18 7.829 -7.872 -3.785 1.00 75.45 C ATOM 276 CD LYS A 18 7.998 -6.343 -3.904 1.00 25.25 C ATOM 277 CE LYS A 18 9.328 -5.937 -4.576 1.00 34.32 C ATOM 278 NZ LYS A 18 9.463 -6.549 -5.916 1.00 73.51 N ATOM 0 H LYS A 18 9.988 -6.437 -2.291 1.00 12.12 H new ATOM 0 HA LYS A 18 9.306 -8.893 -0.771 1.00 52.35 H new ATOM 0 HB2 LYS A 18 7.697 -9.494 -2.411 1.00 75.11 H new ATOM 0 HB3 LYS A 18 7.276 -7.935 -1.729 1.00 75.11 H new ATOM 0 HG2 LYS A 18 8.558 -8.352 -4.438 1.00 75.45 H new ATOM 0 HG3 LYS A 18 6.841 -8.141 -4.158 1.00 75.45 H new ATOM 0 HD2 LYS A 18 7.167 -5.934 -4.478 1.00 25.25 H new ATOM 0 HD3 LYS A 18 7.948 -5.898 -2.910 1.00 25.25 H new ATOM 0 HE2 LYS A 18 9.377 -4.852 -4.663 1.00 34.32 H new ATOM 0 HE3 LYS A 18 10.164 -6.245 -3.948 1.00 34.32 H new ATOM 0 HZ1 LYS A 18 10.029 -5.926 -6.527 1.00 73.51 H new ATOM 0 HZ2 LYS A 18 9.935 -7.472 -5.830 1.00 73.51 H new ATOM 0 HZ3 LYS A 18 8.520 -6.680 -6.335 1.00 73.51 H new ATOM 292 N PRO A 19 10.862 -10.242 -2.224 1.00 60.21 N ATOM 293 CA PRO A 19 12.110 -10.801 -2.725 1.00 41.43 C ATOM 294 C PRO A 19 12.027 -11.450 -4.094 1.00 70.34 C ATOM 295 O PRO A 19 11.026 -11.354 -4.801 1.00 14.44 O ATOM 296 CB PRO A 19 12.426 -11.843 -1.669 1.00 71.43 C ATOM 297 CG PRO A 19 11.094 -12.389 -1.303 1.00 3.03 C ATOM 298 CD PRO A 19 10.113 -11.248 -1.452 1.00 3.43 C ATOM 0 HA PRO A 19 12.859 -10.023 -2.872 1.00 41.43 H new ATOM 0 HB2 PRO A 19 13.084 -12.620 -2.058 1.00 71.43 H new ATOM 0 HB3 PRO A 19 12.928 -11.401 -0.808 1.00 71.43 H new ATOM 0 HG2 PRO A 19 10.823 -13.222 -1.952 1.00 3.03 H new ATOM 0 HG3 PRO A 19 11.097 -12.769 -0.281 1.00 3.03 H new ATOM 0 HD2 PRO A 19 9.210 -11.562 -1.974 1.00 3.43 H new ATOM 0 HD3 PRO A 19 9.802 -10.859 -0.483 1.00 3.43 H new ATOM 306 N LYS A 20 13.110 -12.081 -4.456 1.00 24.02 N ATOM 307 CA LYS A 20 13.239 -12.769 -5.688 1.00 1.45 C ATOM 308 C LYS A 20 14.013 -14.049 -5.414 1.00 4.24 C ATOM 309 O LYS A 20 15.206 -13.997 -5.063 1.00 64.45 O ATOM 310 CB LYS A 20 13.989 -11.882 -6.691 1.00 53.15 C ATOM 311 CG LYS A 20 14.104 -12.458 -8.087 1.00 23.42 C ATOM 312 CD LYS A 20 14.905 -11.536 -8.984 1.00 44.03 C ATOM 313 CE LYS A 20 14.986 -12.070 -10.397 1.00 31.13 C ATOM 314 NZ LYS A 20 15.804 -11.197 -11.266 1.00 0.55 N ATOM 0 H LYS A 20 13.947 -12.125 -3.875 1.00 24.02 H new ATOM 0 HA LYS A 20 12.264 -13.007 -6.114 1.00 1.45 H new ATOM 0 HB2 LYS A 20 13.483 -10.918 -6.751 1.00 53.15 H new ATOM 0 HB3 LYS A 20 14.992 -11.692 -6.308 1.00 53.15 H new ATOM 0 HG2 LYS A 20 14.582 -13.437 -8.043 1.00 23.42 H new ATOM 0 HG3 LYS A 20 13.109 -12.608 -8.507 1.00 23.42 H new ATOM 0 HD2 LYS A 20 14.447 -10.547 -8.993 1.00 44.03 H new ATOM 0 HD3 LYS A 20 15.911 -11.417 -8.581 1.00 44.03 H new ATOM 0 HE2 LYS A 20 15.413 -13.073 -10.383 1.00 31.13 H new ATOM 0 HE3 LYS A 20 13.982 -12.157 -10.811 1.00 31.13 H new ATOM 0 HZ1 LYS A 20 15.836 -11.595 -12.226 1.00 0.55 H new ATOM 0 HZ2 LYS A 20 15.382 -10.247 -11.299 1.00 0.55 H new ATOM 0 HZ3 LYS A 20 16.769 -11.134 -10.885 1.00 0.55 H new ATOM 328 N GLY A 21 13.323 -15.167 -5.488 1.00 63.24 N ATOM 329 CA GLY A 21 13.933 -16.463 -5.279 1.00 35.02 C ATOM 330 C GLY A 21 14.362 -16.685 -3.843 1.00 1.23 C ATOM 331 O GLY A 21 15.456 -17.199 -3.587 1.00 41.34 O ATOM 0 H GLY A 21 12.325 -15.203 -5.694 1.00 63.24 H new ATOM 0 HA2 GLY A 21 13.228 -17.242 -5.567 1.00 35.02 H new ATOM 0 HA3 GLY A 21 14.800 -16.561 -5.932 1.00 35.02 H new ATOM 335 N GLU A 22 13.517 -16.311 -2.911 1.00 64.51 N ATOM 336 CA GLU A 22 13.839 -16.459 -1.509 1.00 11.11 C ATOM 337 C GLU A 22 13.082 -17.545 -0.820 1.00 55.24 C ATOM 338 O GLU A 22 11.911 -17.799 -1.111 1.00 73.23 O ATOM 339 CB GLU A 22 13.708 -15.164 -0.732 1.00 52.53 C ATOM 340 CG GLU A 22 14.986 -14.377 -0.689 1.00 72.10 C ATOM 341 CD GLU A 22 16.096 -15.197 -0.069 1.00 31.05 C ATOM 342 OE1 GLU A 22 15.830 -15.939 0.933 1.00 33.01 O ATOM 343 OE2 GLU A 22 17.230 -15.151 -0.573 1.00 54.33 O ATOM 0 H GLU A 22 12.601 -15.902 -3.097 1.00 64.51 H new ATOM 0 HA GLU A 22 14.888 -16.753 -1.515 1.00 11.11 H new ATOM 0 HB2 GLU A 22 12.926 -14.553 -1.183 1.00 52.53 H new ATOM 0 HB3 GLU A 22 13.390 -15.388 0.286 1.00 52.53 H new ATOM 0 HG2 GLU A 22 15.269 -14.077 -1.698 1.00 72.10 H new ATOM 0 HG3 GLU A 22 14.837 -13.463 -0.114 1.00 72.10 H new ATOM 350 N LYS A 23 13.768 -18.196 0.079 1.00 62.02 N ATOM 351 CA LYS A 23 13.172 -19.208 0.910 1.00 52.24 C ATOM 352 C LYS A 23 13.564 -18.964 2.365 1.00 21.52 C ATOM 353 O LYS A 23 13.010 -19.574 3.277 1.00 3.54 O ATOM 354 CB LYS A 23 13.638 -20.610 0.480 1.00 62.23 C ATOM 355 CG LYS A 23 15.109 -20.904 0.782 1.00 15.03 C ATOM 356 CD LYS A 23 15.530 -22.289 0.313 1.00 74.44 C ATOM 357 CE LYS A 23 15.583 -22.385 -1.205 1.00 73.34 C ATOM 358 NZ LYS A 23 16.572 -21.447 -1.788 1.00 60.42 N ATOM 0 H LYS A 23 14.760 -18.040 0.257 1.00 62.02 H new ATOM 0 HA LYS A 23 12.089 -19.155 0.803 1.00 52.24 H new ATOM 0 HB2 LYS A 23 13.020 -21.355 0.981 1.00 62.23 H new ATOM 0 HB3 LYS A 23 13.469 -20.724 -0.591 1.00 62.23 H new ATOM 0 HG2 LYS A 23 15.734 -20.154 0.298 1.00 15.03 H new ATOM 0 HG3 LYS A 23 15.281 -20.818 1.855 1.00 15.03 H new ATOM 0 HD2 LYS A 23 16.510 -22.529 0.726 1.00 74.44 H new ATOM 0 HD3 LYS A 23 14.831 -23.031 0.699 1.00 74.44 H new ATOM 0 HE2 LYS A 23 15.836 -23.405 -1.495 1.00 73.34 H new ATOM 0 HE3 LYS A 23 14.596 -22.173 -1.616 1.00 73.34 H new ATOM 0 HZ1 LYS A 23 16.801 -21.743 -2.758 1.00 60.42 H new ATOM 0 HZ2 LYS A 23 16.172 -20.487 -1.804 1.00 60.42 H new ATOM 0 HZ3 LYS A 23 17.437 -21.452 -1.211 1.00 60.42 H new ATOM 372 N LYS A 24 14.504 -18.057 2.584 1.00 73.52 N ATOM 373 CA LYS A 24 15.013 -17.837 3.916 1.00 73.10 C ATOM 374 C LYS A 24 14.580 -16.486 4.451 1.00 30.23 C ATOM 375 O LYS A 24 14.311 -16.334 5.657 1.00 52.20 O ATOM 376 CB LYS A 24 16.534 -18.048 3.947 1.00 1.15 C ATOM 377 CG LYS A 24 17.201 -17.777 5.288 1.00 52.41 C ATOM 378 CD LYS A 24 18.623 -18.339 5.336 1.00 42.15 C ATOM 379 CE LYS A 24 19.537 -17.760 4.259 1.00 34.11 C ATOM 380 NZ LYS A 24 19.785 -16.316 4.430 1.00 64.53 N ATOM 0 H LYS A 24 14.922 -17.471 1.861 1.00 73.52 H new ATOM 0 HA LYS A 24 14.581 -18.575 4.592 1.00 73.10 H new ATOM 0 HB2 LYS A 24 16.748 -19.076 3.655 1.00 1.15 H new ATOM 0 HB3 LYS A 24 16.989 -17.402 3.196 1.00 1.15 H new ATOM 0 HG2 LYS A 24 17.228 -16.703 5.471 1.00 52.41 H new ATOM 0 HG3 LYS A 24 16.607 -18.221 6.086 1.00 52.41 H new ATOM 0 HD2 LYS A 24 19.054 -18.136 6.316 1.00 42.15 H new ATOM 0 HD3 LYS A 24 18.582 -19.422 5.224 1.00 42.15 H new ATOM 0 HE2 LYS A 24 20.489 -18.291 4.274 1.00 34.11 H new ATOM 0 HE3 LYS A 24 19.091 -17.933 3.280 1.00 34.11 H new ATOM 0 HZ1 LYS A 24 20.411 -15.979 3.671 1.00 64.53 H new ATOM 0 HZ2 LYS A 24 18.882 -15.801 4.388 1.00 64.53 H new ATOM 0 HZ3 LYS A 24 20.237 -16.148 5.352 1.00 64.53 H new ATOM 394 N CYS A 25 14.510 -15.508 3.582 1.00 3.12 N ATOM 395 CA CYS A 25 13.966 -14.238 3.969 1.00 32.54 C ATOM 396 C CYS A 25 12.434 -14.373 3.940 1.00 63.11 C ATOM 397 O CYS A 25 11.859 -14.735 2.907 1.00 32.24 O ATOM 398 CB CYS A 25 14.429 -13.137 3.004 1.00 60.13 C ATOM 399 SG CYS A 25 16.224 -13.012 2.780 1.00 33.14 S ATOM 0 H CYS A 25 14.820 -15.569 2.612 1.00 3.12 H new ATOM 0 HA CYS A 25 14.309 -13.960 4.966 1.00 32.54 H new ATOM 0 HB2 CYS A 25 13.969 -13.311 2.031 1.00 60.13 H new ATOM 0 HB3 CYS A 25 14.056 -12.179 3.366 1.00 60.13 H new ATOM 0 HG CYS A 25 16.480 -12.390 1.667 1.00 33.14 H new ATOM 405 N THR A 26 11.777 -14.142 5.056 1.00 0.30 N ATOM 406 CA THR A 26 10.335 -14.275 5.117 1.00 71.42 C ATOM 407 C THR A 26 9.725 -13.100 5.899 1.00 72.43 C ATOM 408 O THR A 26 10.311 -12.635 6.870 1.00 13.20 O ATOM 409 CB THR A 26 9.960 -15.616 5.799 1.00 71.14 C ATOM 410 OG1 THR A 26 10.731 -16.686 5.204 1.00 71.44 O ATOM 411 CG2 THR A 26 8.482 -15.922 5.606 1.00 45.15 C ATOM 0 H THR A 26 12.216 -13.862 5.933 1.00 0.30 H new ATOM 0 HA THR A 26 9.936 -14.265 4.103 1.00 71.42 H new ATOM 0 HB THR A 26 10.174 -15.533 6.865 1.00 71.14 H new ATOM 0 HG1 THR A 26 10.498 -17.535 5.634 1.00 71.44 H new ATOM 0 HG21 THR A 26 8.240 -16.867 6.092 1.00 45.15 H new ATOM 0 HG22 THR A 26 7.885 -15.124 6.046 1.00 45.15 H new ATOM 0 HG23 THR A 26 8.262 -15.995 4.541 1.00 45.15 H new ATOM 419 N GLY A 27 8.612 -12.584 5.421 1.00 64.52 N ATOM 420 CA GLY A 27 7.899 -11.544 6.133 1.00 31.02 C ATOM 421 C GLY A 27 8.128 -10.185 5.534 1.00 75.31 C ATOM 422 O GLY A 27 7.362 -9.732 4.677 1.00 55.40 O ATOM 0 H GLY A 27 8.181 -12.868 4.541 1.00 64.52 H new ATOM 0 HA2 GLY A 27 6.832 -11.767 6.126 1.00 31.02 H new ATOM 0 HA3 GLY A 27 8.216 -11.537 7.176 1.00 31.02 H new ATOM 426 N GLY A 28 9.163 -9.541 5.980 1.00 21.21 N ATOM 427 CA GLY A 28 9.523 -8.247 5.479 1.00 33.40 C ATOM 428 C GLY A 28 10.873 -8.334 4.883 1.00 34.20 C ATOM 429 O GLY A 28 11.861 -8.514 5.600 1.00 32.44 O ATOM 0 H GLY A 28 9.785 -9.899 6.705 1.00 21.21 H new ATOM 0 HA2 GLY A 28 8.800 -7.915 4.733 1.00 33.40 H new ATOM 0 HA3 GLY A 28 9.511 -7.512 6.284 1.00 33.40 H new ATOM 433 N TRP A 29 10.937 -8.268 3.594 1.00 34.20 N ATOM 434 CA TRP A 29 12.133 -8.488 2.902 1.00 33.13 C ATOM 435 C TRP A 29 12.899 -7.200 2.687 1.00 53.21 C ATOM 436 O TRP A 29 12.592 -6.405 1.814 1.00 32.14 O ATOM 437 CB TRP A 29 11.777 -9.176 1.622 1.00 11.12 C ATOM 438 CG TRP A 29 10.913 -10.384 1.878 1.00 10.45 C ATOM 439 CD1 TRP A 29 11.337 -11.541 2.365 1.00 21.43 C ATOM 440 CD2 TRP A 29 9.477 -10.529 1.715 1.00 52.21 C ATOM 441 NE1 TRP A 29 10.325 -12.447 2.414 1.00 31.54 N ATOM 442 CE2 TRP A 29 9.171 -11.850 2.040 1.00 44.03 C ATOM 443 CE3 TRP A 29 8.442 -9.694 1.299 1.00 53.22 C ATOM 444 CZ2 TRP A 29 7.886 -12.361 1.967 1.00 73.02 C ATOM 445 CZ3 TRP A 29 7.163 -10.194 1.232 1.00 43.42 C ATOM 446 CH2 TRP A 29 6.894 -11.518 1.562 1.00 34.35 C ATOM 0 H TRP A 29 10.139 -8.055 2.996 1.00 34.20 H new ATOM 0 HA TRP A 29 12.808 -9.119 3.481 1.00 33.13 H new ATOM 0 HB2 TRP A 29 11.252 -8.482 0.966 1.00 11.12 H new ATOM 0 HB3 TRP A 29 12.686 -9.479 1.103 1.00 11.12 H new ATOM 0 HD1 TRP A 29 12.351 -11.738 2.681 1.00 21.43 H new ATOM 0 HE1 TRP A 29 10.421 -13.424 2.690 1.00 31.54 H new ATOM 0 HE3 TRP A 29 8.642 -8.667 1.032 1.00 53.22 H new ATOM 0 HZ2 TRP A 29 7.677 -13.390 2.222 1.00 73.02 H new ATOM 0 HZ3 TRP A 29 6.355 -9.549 0.919 1.00 43.42 H new ATOM 0 HH2 TRP A 29 5.880 -11.885 1.496 1.00 34.35 H new ATOM 457 N ARG A 30 13.851 -6.995 3.537 1.00 32.32 N ATOM 458 CA ARG A 30 14.690 -5.835 3.527 1.00 52.50 C ATOM 459 C ARG A 30 15.914 -6.049 2.675 1.00 51.30 C ATOM 460 O ARG A 30 16.717 -6.926 2.976 1.00 64.54 O ATOM 461 CB ARG A 30 15.156 -5.546 4.965 1.00 41.11 C ATOM 462 CG ARG A 30 14.114 -4.921 5.866 1.00 24.32 C ATOM 463 CD ARG A 30 14.112 -3.413 5.714 1.00 71.32 C ATOM 464 NE ARG A 30 15.343 -2.807 6.272 1.00 50.21 N ATOM 465 CZ ARG A 30 16.270 -2.128 5.577 1.00 52.30 C ATOM 466 NH1 ARG A 30 16.255 -2.143 4.259 1.00 4.54 N ATOM 467 NH2 ARG A 30 17.248 -1.494 6.211 1.00 72.43 N ATOM 0 H ARG A 30 14.076 -7.651 4.285 1.00 32.32 H new ATOM 0 HA ARG A 30 14.115 -5.004 3.118 1.00 52.50 H new ATOM 0 HB2 ARG A 30 15.490 -6.480 5.416 1.00 41.11 H new ATOM 0 HB3 ARG A 30 16.021 -4.884 4.924 1.00 41.11 H new ATOM 0 HG2 ARG A 30 13.129 -5.318 5.621 1.00 24.32 H new ATOM 0 HG3 ARG A 30 14.316 -5.187 6.904 1.00 24.32 H new ATOM 0 HD2 ARG A 30 14.024 -3.153 4.659 1.00 71.32 H new ATOM 0 HD3 ARG A 30 13.240 -2.997 6.219 1.00 71.32 H new ATOM 0 HE ARG A 30 15.501 -2.915 7.274 1.00 50.21 H new ATOM 0 HH11 ARG A 30 15.537 -2.672 3.763 1.00 4.54 H new ATOM 0 HH12 ARG A 30 16.961 -1.626 3.735 1.00 4.54 H new ATOM 0 HH21 ARG A 30 17.297 -1.521 7.229 1.00 72.43 H new ATOM 0 HH22 ARG A 30 17.950 -0.979 5.680 1.00 72.43 H new ATOM 481 N CYS A 31 16.042 -5.322 1.589 1.00 42.22 N ATOM 482 CA CYS A 31 17.336 -5.264 0.960 1.00 63.52 C ATOM 483 C CYS A 31 18.095 -4.264 1.724 1.00 34.04 C ATOM 484 O CYS A 31 17.575 -3.172 2.006 1.00 2.21 O ATOM 485 CB CYS A 31 17.306 -4.862 -0.499 1.00 12.20 C ATOM 486 SG CYS A 31 16.459 -6.003 -1.536 1.00 14.44 S ATOM 0 H CYS A 31 15.300 -4.785 1.140 1.00 42.22 H new ATOM 0 HA CYS A 31 17.778 -6.260 0.968 1.00 63.52 H new ATOM 0 HB2 CYS A 31 16.831 -3.885 -0.587 1.00 12.20 H new ATOM 0 HB3 CYS A 31 18.330 -4.752 -0.857 1.00 12.20 H new ATOM 0 HG CYS A 31 15.483 -6.550 -0.874 1.00 14.44 H new ATOM 492 N LYS A 32 19.247 -4.626 2.113 1.00 32.14 N ATOM 493 CA LYS A 32 20.069 -3.804 2.907 1.00 21.10 C ATOM 494 C LYS A 32 21.467 -3.973 2.349 1.00 51.43 C ATOM 495 O LYS A 32 21.636 -4.696 1.360 1.00 24.53 O ATOM 496 CB LYS A 32 19.932 -4.315 4.360 1.00 3.14 C ATOM 497 CG LYS A 32 20.442 -3.401 5.458 1.00 2.23 C ATOM 498 CD LYS A 32 20.048 -3.952 6.824 1.00 21.11 C ATOM 499 CE LYS A 32 20.452 -3.024 7.952 1.00 72.45 C ATOM 500 NZ LYS A 32 19.979 -3.509 9.259 1.00 44.22 N ATOM 0 H LYS A 32 19.661 -5.529 1.883 1.00 32.14 H new ATOM 0 HA LYS A 32 19.811 -2.745 2.900 1.00 21.10 H new ATOM 0 HB2 LYS A 32 18.878 -4.519 4.550 1.00 3.14 H new ATOM 0 HB3 LYS A 32 20.460 -5.266 4.437 1.00 3.14 H new ATOM 0 HG2 LYS A 32 21.526 -3.311 5.393 1.00 2.23 H new ATOM 0 HG3 LYS A 32 20.031 -2.400 5.329 1.00 2.23 H new ATOM 0 HD2 LYS A 32 18.970 -4.110 6.853 1.00 21.11 H new ATOM 0 HD3 LYS A 32 20.516 -4.925 6.971 1.00 21.11 H new ATOM 0 HE2 LYS A 32 21.538 -2.928 7.972 1.00 72.45 H new ATOM 0 HE3 LYS A 32 20.047 -2.029 7.766 1.00 72.45 H new ATOM 0 HZ1 LYS A 32 20.276 -2.846 10.003 1.00 44.22 H new ATOM 0 HZ2 LYS A 32 18.941 -3.577 9.249 1.00 44.22 H new ATOM 0 HZ3 LYS A 32 20.385 -4.447 9.449 1.00 44.22 H new ATOM 514 N ILE A 33 22.452 -3.337 2.939 1.00 15.12 N ATOM 515 CA ILE A 33 23.841 -3.468 2.492 1.00 35.35 C ATOM 516 C ILE A 33 24.308 -4.949 2.588 1.00 55.15 C ATOM 517 O ILE A 33 25.227 -5.381 1.897 1.00 11.33 O ATOM 518 CB ILE A 33 24.787 -2.519 3.308 1.00 3.24 C ATOM 519 CG1 ILE A 33 26.224 -2.532 2.763 1.00 73.41 C ATOM 520 CG2 ILE A 33 24.773 -2.861 4.793 1.00 13.34 C ATOM 521 CD1 ILE A 33 26.357 -2.006 1.347 1.00 24.42 C ATOM 0 H ILE A 33 22.327 -2.715 3.738 1.00 15.12 H new ATOM 0 HA ILE A 33 23.894 -3.164 1.446 1.00 35.35 H new ATOM 0 HB ILE A 33 24.397 -1.508 3.188 1.00 3.24 H new ATOM 0 HG12 ILE A 33 26.856 -1.935 3.421 1.00 73.41 H new ATOM 0 HG13 ILE A 33 26.604 -3.553 2.796 1.00 73.41 H new ATOM 0 HG21 ILE A 33 25.439 -2.184 5.328 1.00 13.34 H new ATOM 0 HG22 ILE A 33 23.760 -2.756 5.181 1.00 13.34 H new ATOM 0 HG23 ILE A 33 25.110 -3.888 4.933 1.00 13.34 H new ATOM 0 HD11 ILE A 33 27.402 -2.050 1.039 1.00 24.42 H new ATOM 0 HD12 ILE A 33 25.755 -2.616 0.674 1.00 24.42 H new ATOM 0 HD13 ILE A 33 26.010 -0.973 1.308 1.00 24.42 H new ATOM 533 N LYS A 34 23.619 -5.720 3.409 1.00 73.35 N ATOM 534 CA LYS A 34 23.905 -7.120 3.572 1.00 21.14 C ATOM 535 C LYS A 34 22.884 -7.981 2.826 1.00 11.44 C ATOM 536 O LYS A 34 22.539 -9.069 3.276 1.00 41.25 O ATOM 537 CB LYS A 34 23.972 -7.484 5.053 1.00 55.11 C ATOM 538 CG LYS A 34 25.153 -6.853 5.776 1.00 63.44 C ATOM 539 CD LYS A 34 25.295 -7.288 7.239 1.00 13.32 C ATOM 540 CE LYS A 34 25.754 -8.752 7.425 1.00 1.31 C ATOM 541 NZ LYS A 34 24.734 -9.772 7.065 1.00 34.23 N ATOM 0 H LYS A 34 22.844 -5.385 3.981 1.00 73.35 H new ATOM 0 HA LYS A 34 24.882 -7.325 3.134 1.00 21.14 H new ATOM 0 HB2 LYS A 34 23.048 -7.171 5.539 1.00 55.11 H new ATOM 0 HB3 LYS A 34 24.032 -8.568 5.151 1.00 55.11 H new ATOM 0 HG2 LYS A 34 26.069 -7.106 5.242 1.00 63.44 H new ATOM 0 HG3 LYS A 34 25.051 -5.768 5.739 1.00 63.44 H new ATOM 0 HD2 LYS A 34 26.009 -6.630 7.734 1.00 13.32 H new ATOM 0 HD3 LYS A 34 24.337 -7.153 7.741 1.00 13.32 H new ATOM 0 HE2 LYS A 34 26.645 -8.919 6.820 1.00 1.31 H new ATOM 0 HE3 LYS A 34 26.044 -8.899 8.466 1.00 1.31 H new ATOM 0 HZ1 LYS A 34 24.714 -10.515 7.792 1.00 34.23 H new ATOM 0 HZ2 LYS A 34 23.799 -9.321 7.005 1.00 34.23 H new ATOM 0 HZ3 LYS A 34 24.975 -10.194 6.145 1.00 34.23 H new ATOM 555 N LEU A 35 22.443 -7.488 1.662 1.00 60.54 N ATOM 556 CA LEU A 35 21.550 -8.185 0.755 1.00 53.24 C ATOM 557 C LEU A 35 20.157 -8.418 1.371 1.00 24.35 C ATOM 558 O LEU A 35 19.712 -7.615 2.196 1.00 1.23 O ATOM 559 CB LEU A 35 22.188 -9.481 0.232 1.00 1.23 C ATOM 560 CG LEU A 35 23.422 -9.359 -0.704 1.00 53.54 C ATOM 561 CD1 LEU A 35 24.675 -8.903 0.022 1.00 63.11 C ATOM 562 CD2 LEU A 35 23.672 -10.664 -1.421 1.00 23.53 C ATOM 0 H LEU A 35 22.712 -6.564 1.324 1.00 60.54 H new ATOM 0 HA LEU A 35 21.391 -7.537 -0.107 1.00 53.24 H new ATOM 0 HB2 LEU A 35 22.480 -10.081 1.094 1.00 1.23 H new ATOM 0 HB3 LEU A 35 21.419 -10.041 -0.300 1.00 1.23 H new ATOM 0 HG LEU A 35 23.185 -8.585 -1.434 1.00 53.54 H new ATOM 0 HD11 LEU A 35 25.502 -8.837 -0.685 1.00 63.11 H new ATOM 0 HD12 LEU A 35 24.501 -7.924 0.469 1.00 63.11 H new ATOM 0 HD13 LEU A 35 24.923 -9.620 0.805 1.00 63.11 H new ATOM 0 HD21 LEU A 35 24.540 -10.561 -2.072 1.00 23.53 H new ATOM 0 HD22 LEU A 35 23.858 -11.451 -0.690 1.00 23.53 H new ATOM 0 HD23 LEU A 35 22.798 -10.924 -2.019 1.00 23.53 H new ATOM 574 N CYS A 36 19.455 -9.473 0.924 1.00 64.03 N ATOM 575 CA CYS A 36 18.105 -9.764 1.391 1.00 31.21 C ATOM 576 C CYS A 36 18.138 -10.195 2.838 1.00 35.44 C ATOM 577 O CYS A 36 18.832 -11.160 3.202 1.00 75.12 O ATOM 578 CB CYS A 36 17.451 -10.877 0.547 1.00 51.20 C ATOM 579 SG CYS A 36 15.679 -11.106 0.845 1.00 72.22 S ATOM 0 H CYS A 36 19.810 -10.137 0.236 1.00 64.03 H new ATOM 0 HA CYS A 36 17.514 -8.854 1.289 1.00 31.21 H new ATOM 0 HB2 CYS A 36 17.602 -10.651 -0.509 1.00 51.20 H new ATOM 0 HB3 CYS A 36 17.965 -11.817 0.749 1.00 51.20 H new ATOM 0 HG CYS A 36 15.492 -11.493 2.072 1.00 72.22 H new ATOM 585 N LEU A 37 17.436 -9.484 3.655 1.00 22.24 N ATOM 586 CA LEU A 37 17.336 -9.802 5.036 1.00 33.43 C ATOM 587 C LEU A 37 15.908 -9.692 5.499 1.00 32.54 C ATOM 588 O LEU A 37 15.221 -8.737 5.168 1.00 34.41 O ATOM 589 CB LEU A 37 18.169 -8.829 5.861 1.00 44.20 C ATOM 590 CG LEU A 37 19.675 -8.840 5.663 1.00 3.23 C ATOM 591 CD1 LEU A 37 20.284 -7.675 6.405 1.00 3.20 C ATOM 592 CD2 LEU A 37 20.264 -10.143 6.176 1.00 74.41 C ATOM 0 H LEU A 37 16.910 -8.656 3.377 1.00 22.24 H new ATOM 0 HA LEU A 37 17.697 -10.822 5.170 1.00 33.43 H new ATOM 0 HB2 LEU A 37 17.811 -7.821 5.651 1.00 44.20 H new ATOM 0 HB3 LEU A 37 17.968 -9.026 6.914 1.00 44.20 H new ATOM 0 HG LEU A 37 19.897 -8.753 4.599 1.00 3.23 H new ATOM 0 HD11 LEU A 37 21.365 -7.680 6.265 1.00 3.20 H new ATOM 0 HD12 LEU A 37 19.872 -6.742 6.019 1.00 3.20 H new ATOM 0 HD13 LEU A 37 20.055 -7.761 7.467 1.00 3.20 H new ATOM 0 HD21 LEU A 37 21.344 -10.137 6.028 1.00 74.41 H new ATOM 0 HD22 LEU A 37 20.044 -10.248 7.238 1.00 74.41 H new ATOM 0 HD23 LEU A 37 19.827 -10.979 5.630 1.00 74.41 H new ATOM 604 N LYS A 38 15.447 -10.698 6.187 1.00 44.43 N ATOM 605 CA LYS A 38 14.212 -10.616 6.931 1.00 61.54 C ATOM 606 C LYS A 38 14.349 -9.461 7.938 1.00 24.24 C ATOM 607 O LYS A 38 15.324 -9.427 8.701 1.00 64.20 O ATOM 608 CB LYS A 38 14.014 -11.925 7.690 1.00 55.01 C ATOM 609 CG LYS A 38 12.796 -11.954 8.584 1.00 61.32 C ATOM 610 CD LYS A 38 12.730 -13.251 9.348 1.00 30.15 C ATOM 611 CE LYS A 38 11.492 -13.325 10.218 1.00 41.10 C ATOM 612 NZ LYS A 38 11.467 -14.558 11.026 1.00 4.24 N ATOM 0 H LYS A 38 15.915 -11.602 6.251 1.00 44.43 H new ATOM 0 HA LYS A 38 13.364 -10.445 6.268 1.00 61.54 H new ATOM 0 HB2 LYS A 38 13.940 -12.740 6.970 1.00 55.01 H new ATOM 0 HB3 LYS A 38 14.899 -12.116 8.297 1.00 55.01 H new ATOM 0 HG2 LYS A 38 12.830 -11.116 9.281 1.00 61.32 H new ATOM 0 HG3 LYS A 38 11.894 -11.833 7.983 1.00 61.32 H new ATOM 0 HD2 LYS A 38 12.734 -14.087 8.648 1.00 30.15 H new ATOM 0 HD3 LYS A 38 13.619 -13.353 9.970 1.00 30.15 H new ATOM 0 HE2 LYS A 38 11.458 -12.457 10.877 1.00 41.10 H new ATOM 0 HE3 LYS A 38 10.602 -13.283 9.590 1.00 41.10 H new ATOM 0 HZ1 LYS A 38 10.606 -14.574 11.609 1.00 4.24 H new ATOM 0 HZ2 LYS A 38 11.475 -15.386 10.396 1.00 4.24 H new ATOM 0 HZ3 LYS A 38 12.303 -14.585 11.644 1.00 4.24 H new ATOM 626 N ILE A 39 13.433 -8.522 7.895 1.00 2.23 N ATOM 627 CA ILE A 39 13.447 -7.350 8.773 1.00 14.03 C ATOM 628 C ILE A 39 13.500 -7.741 10.265 1.00 11.21 C ATOM 629 O ILE A 39 12.560 -8.403 10.762 1.00 14.53 O ATOM 630 CB ILE A 39 12.261 -6.368 8.471 1.00 2.41 C ATOM 631 CG1 ILE A 39 12.337 -5.126 9.372 1.00 33.31 C ATOM 632 CG2 ILE A 39 10.901 -7.052 8.579 1.00 63.03 C ATOM 633 CD1 ILE A 39 11.237 -4.109 9.135 1.00 40.52 C ATOM 634 OXT ILE A 39 14.491 -7.378 10.950 1.00 0.00 O ATOM 0 H ILE A 39 12.645 -8.540 7.247 1.00 2.23 H new ATOM 0 HA ILE A 39 14.368 -6.811 8.553 1.00 14.03 H new ATOM 0 HB ILE A 39 12.366 -6.044 7.435 1.00 2.41 H new ATOM 0 HG12 ILE A 39 12.301 -5.445 10.414 1.00 33.31 H new ATOM 0 HG13 ILE A 39 13.301 -4.641 9.221 1.00 33.31 H new ATOM 0 HG21 ILE A 39 10.113 -6.331 8.361 1.00 63.03 H new ATOM 0 HG22 ILE A 39 10.849 -7.873 7.864 1.00 63.03 H new ATOM 0 HG23 ILE A 39 10.768 -7.441 9.589 1.00 63.03 H new ATOM 0 HD11 ILE A 39 11.368 -3.266 9.813 1.00 40.52 H new ATOM 0 HD12 ILE A 39 11.283 -3.756 8.105 1.00 40.52 H new ATOM 0 HD13 ILE A 39 10.267 -4.573 9.316 1.00 40.52 H new TER 646 ILE A 39