USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 252 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 21 HIS HE2 : A 21 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD NoAdj-H: A 27 HIS HE2 : A 27 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD Set 1.1: A 22 MET CE :methyl -153:sc= -2.04! (180deg=-2.95) USER MOD Set 1.2: A 28 SER OG : rot 60:sc= -0.268 USER MOD Set 2.1: A 14 THR OG1 : rot -122:sc= 0.275 USER MOD Set 2.2: A 17 ASN : amide:sc= 0.285 K(o=0.56,f=0) USER MOD Set 3.1: A 4 HIS : no HE2:sc= -2.39 K(o=-2.6,f=-5.9!) USER MOD Set 3.2: A 11 SER OG : rot 35:sc= -0.183 USER MOD Set 4.1: A 3 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 15 LYS NZ :NH3+ -137:sc= -0.416 (180deg=-1.4!) USER MOD Single : A 1 ARG N :NH3+ -141:sc= -2.02 (180deg=-3.81!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.174 F(o=-2.5!,f=-0.17) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 82:sc= 0.201 USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.167) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc=-0.00276 (180deg=-0.267) USER MOD Single : A 24 SER OG : rot 180:sc= 0.353 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 10.311 6.831 -4.097 1.00 1.66 N ATOM 2 CA ARG A 1 9.450 5.835 -3.395 1.00 0.64 C ATOM 3 C ARG A 1 8.172 5.607 -4.222 1.00 0.57 C ATOM 4 O ARG A 1 7.107 6.065 -3.862 1.00 0.50 O ATOM 5 CB ARG A 1 9.056 6.347 -2.007 1.00 0.78 C ATOM 6 CG ARG A 1 10.282 6.964 -1.331 1.00 1.38 C ATOM 7 CD ARG A 1 11.398 5.921 -1.245 1.00 1.09 C ATOM 8 NE ARG A 1 12.426 6.399 -0.278 1.00 0.81 N ATOM 9 CZ ARG A 1 12.699 7.674 -0.219 1.00 1.74 C ATOM 10 NH1 ARG A 1 13.317 8.234 -1.225 1.00 2.91 N ATOM 11 NH2 ARG A 1 12.344 8.347 0.841 1.00 2.15 N ATOM 0 H1 ARG A 1 11.309 6.550 -4.010 1.00 1.66 H new ATOM 0 H2 ARG A 1 10.048 6.869 -5.103 1.00 1.66 H new ATOM 0 H3 ARG A 1 10.177 7.769 -3.668 1.00 1.66 H new ATOM 0 HA ARG A 1 10.007 4.904 -3.285 1.00 0.64 H new ATOM 0 HB2 ARG A 1 8.261 7.088 -2.092 1.00 0.78 H new ATOM 0 HB3 ARG A 1 8.666 5.529 -1.402 1.00 0.78 H new ATOM 0 HG2 ARG A 1 10.624 7.831 -1.896 1.00 1.38 H new ATOM 0 HG3 ARG A 1 10.021 7.316 -0.333 1.00 1.38 H new ATOM 0 HD2 ARG A 1 10.994 4.961 -0.923 1.00 1.09 H new ATOM 0 HD3 ARG A 1 11.846 5.765 -2.226 1.00 1.09 H new ATOM 0 HE ARG A 1 12.910 5.738 0.330 1.00 0.81 H new ATOM 0 HH11 ARG A 1 13.577 7.676 -2.038 1.00 2.91 H new ATOM 0 HH12 ARG A 1 13.539 9.229 -1.197 1.00 2.91 H new ATOM 0 HH21 ARG A 1 11.861 7.876 1.606 1.00 2.15 H new ATOM 0 HH22 ARG A 1 12.549 9.344 0.904 1.00 2.15 H new ATOM 27 N PRO A 2 8.311 4.904 -5.331 1.00 0.61 N ATOM 28 CA PRO A 2 7.173 4.626 -6.221 1.00 0.60 C ATOM 29 C PRO A 2 6.116 3.737 -5.537 1.00 0.54 C ATOM 30 O PRO A 2 5.367 3.053 -6.203 1.00 0.69 O ATOM 31 CB PRO A 2 7.779 3.899 -7.432 1.00 0.70 C ATOM 32 CG PRO A 2 9.314 3.772 -7.181 1.00 0.73 C ATOM 33 CD PRO A 2 9.603 4.364 -5.789 1.00 0.69 C ATOM 0 HA PRO A 2 6.658 5.545 -6.500 1.00 0.60 H new ATOM 0 HB2 PRO A 2 7.327 2.914 -7.554 1.00 0.70 H new ATOM 0 HB3 PRO A 2 7.585 4.454 -8.350 1.00 0.70 H new ATOM 0 HG2 PRO A 2 9.625 2.728 -7.227 1.00 0.73 H new ATOM 0 HG3 PRO A 2 9.874 4.306 -7.949 1.00 0.73 H new ATOM 0 HD2 PRO A 2 9.977 3.602 -5.105 1.00 0.69 H new ATOM 0 HD3 PRO A 2 10.361 5.145 -5.842 1.00 0.69 H new ATOM 41 N TYR A 3 6.076 3.761 -4.228 1.00 0.37 N ATOM 42 CA TYR A 3 5.067 2.920 -3.522 1.00 0.30 C ATOM 43 C TYR A 3 4.581 3.601 -2.230 1.00 0.21 C ATOM 44 O TYR A 3 5.174 3.442 -1.184 1.00 0.15 O ATOM 45 CB TYR A 3 5.716 1.588 -3.187 1.00 0.26 C ATOM 46 CG TYR A 3 6.110 0.891 -4.487 1.00 0.21 C ATOM 47 CD1 TYR A 3 5.153 0.287 -5.274 1.00 0.21 C ATOM 48 CD2 TYR A 3 7.428 0.856 -4.890 1.00 0.23 C ATOM 49 CE1 TYR A 3 5.506 -0.342 -6.448 1.00 0.18 C ATOM 50 CE2 TYR A 3 7.785 0.226 -6.065 1.00 0.21 C ATOM 51 CZ TYR A 3 6.825 -0.377 -6.855 1.00 0.15 C ATOM 52 OH TYR A 3 7.177 -0.998 -8.040 1.00 0.15 O ATOM 0 H TYR A 3 6.687 4.316 -3.629 1.00 0.37 H new ATOM 0 HA TYR A 3 4.200 2.777 -4.167 1.00 0.30 H new ATOM 0 HB2 TYR A 3 6.595 1.743 -2.561 1.00 0.26 H new ATOM 0 HB3 TYR A 3 5.026 0.964 -2.619 1.00 0.26 H new ATOM 0 HD1 TYR A 3 4.118 0.307 -4.968 1.00 0.21 H new ATOM 0 HD2 TYR A 3 8.187 1.325 -4.282 1.00 0.23 H new ATOM 0 HE1 TYR A 3 4.745 -0.811 -7.054 1.00 0.18 H new ATOM 0 HE2 TYR A 3 8.821 0.204 -6.369 1.00 0.21 H new ATOM 0 HH TYR A 3 8.146 -0.927 -8.171 1.00 0.15 H new ATOM 62 N HIS A 4 3.510 4.352 -2.346 1.00 0.21 N ATOM 63 CA HIS A 4 2.931 5.051 -1.145 1.00 0.14 C ATOM 64 C HIS A 4 1.453 4.688 -0.973 1.00 0.12 C ATOM 65 O HIS A 4 0.708 4.662 -1.932 1.00 0.18 O ATOM 66 CB HIS A 4 3.047 6.563 -1.334 1.00 0.19 C ATOM 67 CG HIS A 4 4.403 7.033 -0.824 1.00 0.21 C ATOM 68 ND1 HIS A 4 4.571 7.942 0.027 1.00 0.26 N ATOM 69 CD2 HIS A 4 5.667 6.596 -1.148 1.00 0.21 C ATOM 70 CE1 HIS A 4 5.802 8.119 0.272 1.00 0.28 C ATOM 71 NE2 HIS A 4 6.579 7.302 -0.434 1.00 0.24 N ATOM 0 H HIS A 4 3.009 4.513 -3.220 1.00 0.21 H new ATOM 0 HA HIS A 4 3.483 4.736 -0.260 1.00 0.14 H new ATOM 0 HB2 HIS A 4 2.934 6.819 -2.387 1.00 0.19 H new ATOM 0 HB3 HIS A 4 2.247 7.071 -0.795 1.00 0.19 H new ATOM 0 HD1 HIS A 4 3.815 8.469 0.464 1.00 0.26 H new ATOM 0 HD2 HIS A 4 5.896 5.815 -1.858 1.00 0.21 H new ATOM 0 HE1 HIS A 4 6.177 8.849 0.974 1.00 0.28 H new ATOM 79 N CYS A 5 1.052 4.415 0.248 1.00 0.09 N ATOM 80 CA CYS A 5 -0.387 4.062 0.468 1.00 0.14 C ATOM 81 C CYS A 5 -1.307 5.115 -0.169 1.00 0.20 C ATOM 82 O CYS A 5 -0.883 6.207 -0.490 1.00 0.18 O ATOM 83 CB CYS A 5 -0.698 3.987 1.966 1.00 0.15 C ATOM 84 SG CYS A 5 -2.450 4.201 2.409 1.00 0.24 S ATOM 0 H CYS A 5 1.641 4.421 1.081 1.00 0.09 H new ATOM 0 HA CYS A 5 -0.564 3.091 0.004 1.00 0.14 H new ATOM 0 HB2 CYS A 5 -0.361 3.021 2.342 1.00 0.15 H new ATOM 0 HB3 CYS A 5 -0.115 4.751 2.480 1.00 0.15 H new ATOM 89 N SER A 6 -2.553 4.751 -0.337 1.00 0.29 N ATOM 90 CA SER A 6 -3.544 5.704 -0.929 1.00 0.35 C ATOM 91 C SER A 6 -4.265 6.438 0.204 1.00 0.37 C ATOM 92 O SER A 6 -5.317 7.016 0.017 1.00 0.40 O ATOM 93 CB SER A 6 -4.553 4.907 -1.753 1.00 0.33 C ATOM 94 OG SER A 6 -3.859 4.611 -2.957 1.00 0.39 O ATOM 0 H SER A 6 -2.928 3.835 -0.090 1.00 0.29 H new ATOM 0 HA SER A 6 -3.041 6.431 -1.567 1.00 0.35 H new ATOM 0 HB2 SER A 6 -4.861 3.998 -1.236 1.00 0.33 H new ATOM 0 HB3 SER A 6 -5.457 5.486 -1.945 1.00 0.33 H new ATOM 0 HG SER A 6 -4.441 4.093 -3.551 1.00 0.39 H new ATOM 100 N TYR A 7 -3.658 6.399 1.353 1.00 0.36 N ATOM 101 CA TYR A 7 -4.256 7.042 2.561 1.00 0.40 C ATOM 102 C TYR A 7 -3.145 7.365 3.556 1.00 0.38 C ATOM 103 O TYR A 7 -2.763 8.508 3.717 1.00 0.45 O ATOM 104 CB TYR A 7 -5.254 6.071 3.203 1.00 0.40 C ATOM 105 CG TYR A 7 -6.485 5.953 2.310 1.00 0.46 C ATOM 106 CD1 TYR A 7 -6.502 5.053 1.266 1.00 0.31 C ATOM 107 CD2 TYR A 7 -7.592 6.742 2.534 1.00 0.67 C ATOM 108 CE1 TYR A 7 -7.603 4.947 0.454 1.00 0.37 C ATOM 109 CE2 TYR A 7 -8.701 6.634 1.721 1.00 0.72 C ATOM 110 CZ TYR A 7 -8.715 5.737 0.674 1.00 0.56 C ATOM 111 OH TYR A 7 -9.824 5.626 -0.137 1.00 0.62 O ATOM 0 H TYR A 7 -2.760 5.943 1.513 1.00 0.36 H new ATOM 0 HA TYR A 7 -4.771 7.960 2.279 1.00 0.40 H new ATOM 0 HB2 TYR A 7 -4.793 5.093 3.337 1.00 0.40 H new ATOM 0 HB3 TYR A 7 -5.541 6.427 4.193 1.00 0.40 H new ATOM 0 HD1 TYR A 7 -5.641 4.426 1.086 1.00 0.31 H new ATOM 0 HD2 TYR A 7 -7.591 7.449 3.351 1.00 0.67 H new ATOM 0 HE1 TYR A 7 -7.600 4.241 -0.363 1.00 0.37 H new ATOM 0 HE2 TYR A 7 -9.564 7.256 1.906 1.00 0.72 H new ATOM 0 HH TYR A 7 -10.513 6.256 0.162 1.00 0.62 H new ATOM 121 N CYS A 8 -2.651 6.349 4.206 1.00 0.31 N ATOM 122 CA CYS A 8 -1.540 6.581 5.178 1.00 0.28 C ATOM 123 C CYS A 8 -0.347 7.149 4.445 1.00 0.24 C ATOM 124 O CYS A 8 -0.468 7.729 3.384 1.00 0.35 O ATOM 125 CB CYS A 8 -1.063 5.255 5.799 1.00 0.27 C ATOM 126 SG CYS A 8 -2.266 3.981 6.209 1.00 0.27 S ATOM 0 H CYS A 8 -2.960 5.382 4.111 1.00 0.31 H new ATOM 0 HA CYS A 8 -1.914 7.255 5.949 1.00 0.28 H new ATOM 0 HB2 CYS A 8 -0.342 4.813 5.111 1.00 0.27 H new ATOM 0 HB3 CYS A 8 -0.522 5.499 6.713 1.00 0.27 H new ATOM 131 N ASN A 9 0.781 6.966 5.049 1.00 0.14 N ATOM 132 CA ASN A 9 2.044 7.397 4.423 1.00 0.07 C ATOM 133 C ASN A 9 2.979 6.202 4.454 1.00 0.03 C ATOM 134 O ASN A 9 4.183 6.339 4.404 1.00 0.10 O ATOM 135 CB ASN A 9 2.650 8.551 5.210 1.00 0.07 C ATOM 136 CG ASN A 9 3.629 9.310 4.312 1.00 0.25 C ATOM 137 OD1 ASN A 9 3.980 8.783 3.166 1.00 0.44 O flip ATOM 138 ND2 ASN A 9 4.083 10.387 4.640 1.00 0.30 N flip ATOM 0 H ASN A 9 0.882 6.529 5.965 1.00 0.14 H new ATOM 0 HA ASN A 9 1.877 7.739 3.402 1.00 0.07 H new ATOM 0 HB2 ASN A 9 1.865 9.221 5.560 1.00 0.07 H new ATOM 0 HB3 ASN A 9 3.165 8.174 6.094 1.00 0.07 H new ATOM 0 HD21 ASN A 9 3.814 10.804 5.531 1.00 0.30 H new ATOM 0 HD22 ASN A 9 4.733 10.875 4.024 1.00 0.30 H new ATOM 145 N PHE A 10 2.378 5.039 4.540 1.00 0.04 N ATOM 146 CA PHE A 10 3.178 3.799 4.603 1.00 0.11 C ATOM 147 C PHE A 10 3.880 3.577 3.271 1.00 0.14 C ATOM 148 O PHE A 10 3.331 2.985 2.367 1.00 0.20 O ATOM 149 CB PHE A 10 2.242 2.626 4.930 1.00 0.15 C ATOM 150 CG PHE A 10 3.031 1.559 5.688 1.00 0.28 C ATOM 151 CD1 PHE A 10 4.012 0.822 5.047 1.00 0.37 C ATOM 152 CD2 PHE A 10 2.774 1.318 7.026 1.00 0.37 C ATOM 153 CE1 PHE A 10 4.723 -0.140 5.734 1.00 0.48 C ATOM 154 CE2 PHE A 10 3.487 0.355 7.710 1.00 0.48 C ATOM 155 CZ PHE A 10 4.462 -0.373 7.064 1.00 0.51 C ATOM 0 H PHE A 10 1.367 4.906 4.569 1.00 0.04 H new ATOM 0 HA PHE A 10 3.938 3.876 5.380 1.00 0.11 H new ATOM 0 HB2 PHE A 10 1.401 2.971 5.531 1.00 0.15 H new ATOM 0 HB3 PHE A 10 1.827 2.208 4.013 1.00 0.15 H new ATOM 0 HD1 PHE A 10 4.222 1.001 4.003 1.00 0.37 H new ATOM 0 HD2 PHE A 10 2.011 1.887 7.538 1.00 0.37 H new ATOM 0 HE1 PHE A 10 5.486 -0.711 5.226 1.00 0.48 H new ATOM 0 HE2 PHE A 10 3.280 0.172 8.754 1.00 0.48 H new ATOM 0 HZ PHE A 10 5.020 -1.125 7.601 1.00 0.51 H new ATOM 165 N SER A 11 5.085 4.073 3.171 1.00 0.14 N ATOM 166 CA SER A 11 5.827 3.907 1.895 1.00 0.19 C ATOM 167 C SER A 11 6.529 2.548 1.857 1.00 0.27 C ATOM 168 O SER A 11 7.439 2.287 2.620 1.00 0.70 O ATOM 169 CB SER A 11 6.857 5.030 1.746 1.00 0.29 C ATOM 170 OG SER A 11 7.554 4.705 0.553 1.00 0.31 O ATOM 0 H SER A 11 5.578 4.578 3.907 1.00 0.14 H new ATOM 0 HA SER A 11 5.118 3.955 1.068 1.00 0.19 H new ATOM 0 HB2 SER A 11 6.376 6.005 1.673 1.00 0.29 H new ATOM 0 HB3 SER A 11 7.530 5.070 2.603 1.00 0.29 H new ATOM 0 HG SER A 11 6.934 4.298 -0.087 1.00 0.31 H new ATOM 176 N PHE A 12 6.083 1.716 0.962 1.00 0.17 N ATOM 177 CA PHE A 12 6.693 0.365 0.835 1.00 0.11 C ATOM 178 C PHE A 12 7.848 0.408 -0.180 1.00 0.15 C ATOM 179 O PHE A 12 8.160 1.456 -0.712 1.00 0.42 O ATOM 180 CB PHE A 12 5.606 -0.599 0.367 1.00 0.13 C ATOM 181 CG PHE A 12 4.404 -0.491 1.320 1.00 0.16 C ATOM 182 CD1 PHE A 12 3.464 0.497 1.133 1.00 0.19 C ATOM 183 CD2 PHE A 12 4.244 -1.377 2.374 1.00 0.19 C ATOM 184 CE1 PHE A 12 2.375 0.601 1.974 1.00 0.21 C ATOM 185 CE2 PHE A 12 3.153 -1.269 3.216 1.00 0.23 C ATOM 186 CZ PHE A 12 2.220 -0.279 3.014 1.00 0.23 C ATOM 0 H PHE A 12 5.322 1.912 0.312 1.00 0.17 H new ATOM 0 HA PHE A 12 7.096 0.034 1.792 1.00 0.11 H new ATOM 0 HB2 PHE A 12 5.302 -0.359 -0.652 1.00 0.13 H new ATOM 0 HB3 PHE A 12 5.987 -1.620 0.354 1.00 0.13 H new ATOM 0 HD1 PHE A 12 3.580 1.198 0.320 1.00 0.19 H new ATOM 0 HD2 PHE A 12 4.975 -2.155 2.538 1.00 0.19 H new ATOM 0 HE1 PHE A 12 1.642 1.378 1.813 1.00 0.21 H new ATOM 0 HE2 PHE A 12 3.033 -1.964 4.034 1.00 0.23 H new ATOM 0 HZ PHE A 12 1.368 -0.195 3.672 1.00 0.23 H new ATOM 196 N LYS A 13 8.458 -0.728 -0.426 1.00 0.23 N ATOM 197 CA LYS A 13 9.607 -0.756 -1.395 1.00 0.26 C ATOM 198 C LYS A 13 9.191 -1.377 -2.733 1.00 0.23 C ATOM 199 O LYS A 13 9.746 -1.041 -3.761 1.00 0.21 O ATOM 200 CB LYS A 13 10.748 -1.585 -0.800 1.00 0.38 C ATOM 201 CG LYS A 13 11.913 -1.631 -1.809 1.00 0.52 C ATOM 202 CD LYS A 13 13.262 -1.552 -1.069 1.00 0.81 C ATOM 203 CE LYS A 13 13.487 -2.841 -0.272 1.00 1.48 C ATOM 204 NZ LYS A 13 14.061 -2.534 1.068 1.00 2.70 N ATOM 0 H LYS A 13 8.217 -1.626 -0.006 1.00 0.23 H new ATOM 0 HA LYS A 13 9.928 0.270 -1.572 1.00 0.26 H new ATOM 0 HB2 LYS A 13 11.081 -1.146 0.141 1.00 0.38 H new ATOM 0 HB3 LYS A 13 10.403 -2.595 -0.576 1.00 0.38 H new ATOM 0 HG2 LYS A 13 11.863 -2.551 -2.392 1.00 0.52 H new ATOM 0 HG3 LYS A 13 11.827 -0.803 -2.513 1.00 0.52 H new ATOM 0 HD2 LYS A 13 14.072 -1.408 -1.784 1.00 0.81 H new ATOM 0 HD3 LYS A 13 13.271 -0.692 -0.399 1.00 0.81 H new ATOM 0 HE2 LYS A 13 12.543 -3.373 -0.156 1.00 1.48 H new ATOM 0 HE3 LYS A 13 14.160 -3.501 -0.820 1.00 1.48 H new ATOM 0 HZ1 LYS A 13 14.207 -3.419 1.594 1.00 2.70 H new ATOM 0 HZ2 LYS A 13 14.972 -2.046 0.952 1.00 2.70 H new ATOM 0 HZ3 LYS A 13 13.405 -1.922 1.595 1.00 2.70 H new ATOM 218 N THR A 14 8.228 -2.269 -2.696 1.00 0.26 N ATOM 219 CA THR A 14 7.789 -2.925 -3.961 1.00 0.28 C ATOM 220 C THR A 14 6.271 -2.935 -4.086 1.00 0.24 C ATOM 221 O THR A 14 5.559 -2.517 -3.195 1.00 0.25 O ATOM 222 CB THR A 14 8.297 -4.369 -3.986 1.00 0.38 C ATOM 223 OG1 THR A 14 7.794 -4.952 -2.785 1.00 0.44 O ATOM 224 CG2 THR A 14 9.817 -4.434 -3.861 1.00 0.81 C ATOM 0 H THR A 14 7.735 -2.566 -1.854 1.00 0.26 H new ATOM 0 HA THR A 14 8.201 -2.358 -4.796 1.00 0.28 H new ATOM 0 HB THR A 14 7.990 -4.854 -4.913 1.00 0.38 H new ATOM 0 HG1 THR A 14 8.540 -5.292 -2.249 1.00 0.44 H new ATOM 0 HG21 THR A 14 10.140 -5.475 -3.883 1.00 0.81 H new ATOM 0 HG22 THR A 14 10.274 -3.895 -4.691 1.00 0.81 H new ATOM 0 HG23 THR A 14 10.124 -3.978 -2.920 1.00 0.81 H new ATOM 232 N LYS A 15 5.814 -3.419 -5.207 1.00 0.27 N ATOM 233 CA LYS A 15 4.356 -3.488 -5.443 1.00 0.25 C ATOM 234 C LYS A 15 3.731 -4.574 -4.564 1.00 0.19 C ATOM 235 O LYS A 15 2.655 -4.400 -4.026 1.00 0.26 O ATOM 236 CB LYS A 15 4.112 -3.817 -6.910 1.00 0.31 C ATOM 237 CG LYS A 15 2.606 -3.789 -7.182 1.00 0.31 C ATOM 238 CD LYS A 15 2.359 -3.806 -8.700 1.00 0.60 C ATOM 239 CE LYS A 15 2.873 -2.502 -9.331 1.00 2.37 C ATOM 240 NZ LYS A 15 4.197 -2.724 -9.977 1.00 3.72 N ATOM 0 H LYS A 15 6.394 -3.770 -5.969 1.00 0.27 H new ATOM 0 HA LYS A 15 3.901 -2.530 -5.193 1.00 0.25 H new ATOM 0 HB2 LYS A 15 4.623 -3.096 -7.548 1.00 0.31 H new ATOM 0 HB3 LYS A 15 4.520 -4.799 -7.149 1.00 0.31 H new ATOM 0 HG2 LYS A 15 2.125 -4.648 -6.715 1.00 0.31 H new ATOM 0 HG3 LYS A 15 2.162 -2.897 -6.740 1.00 0.31 H new ATOM 0 HD2 LYS A 15 2.864 -4.661 -9.149 1.00 0.60 H new ATOM 0 HD3 LYS A 15 1.294 -3.923 -8.902 1.00 0.60 H new ATOM 0 HE2 LYS A 15 2.157 -2.141 -10.069 1.00 2.37 H new ATOM 0 HE3 LYS A 15 2.959 -1.730 -8.566 1.00 2.37 H new ATOM 0 HZ1 LYS A 15 4.830 -1.930 -9.752 1.00 3.72 H new ATOM 0 HZ2 LYS A 15 4.612 -3.609 -9.622 1.00 3.72 H new ATOM 0 HZ3 LYS A 15 4.074 -2.788 -11.008 1.00 3.72 H new ATOM 254 N GLY A 16 4.421 -5.675 -4.437 1.00 0.10 N ATOM 255 CA GLY A 16 3.885 -6.783 -3.602 1.00 0.10 C ATOM 256 C GLY A 16 3.596 -6.281 -2.191 1.00 0.13 C ATOM 257 O GLY A 16 2.538 -6.526 -1.643 1.00 0.20 O ATOM 0 H GLY A 16 5.326 -5.853 -4.873 1.00 0.10 H new ATOM 0 HA2 GLY A 16 2.973 -7.178 -4.050 1.00 0.10 H new ATOM 0 HA3 GLY A 16 4.603 -7.602 -3.565 1.00 0.10 H new ATOM 261 N ASN A 17 4.543 -5.585 -1.631 1.00 0.11 N ATOM 262 CA ASN A 17 4.348 -5.056 -0.260 1.00 0.16 C ATOM 263 C ASN A 17 3.232 -3.993 -0.250 1.00 0.17 C ATOM 264 O ASN A 17 2.330 -4.050 0.559 1.00 0.20 O ATOM 265 CB ASN A 17 5.660 -4.450 0.224 1.00 0.17 C ATOM 266 CG ASN A 17 6.581 -5.568 0.711 1.00 0.36 C ATOM 267 OD1 ASN A 17 6.725 -5.797 1.895 1.00 0.75 O ATOM 268 ND2 ASN A 17 7.224 -6.287 -0.164 1.00 0.58 N ATOM 0 H ASN A 17 5.439 -5.361 -2.063 1.00 0.11 H new ATOM 0 HA ASN A 17 4.051 -5.866 0.406 1.00 0.16 H new ATOM 0 HB2 ASN A 17 6.138 -3.895 -0.583 1.00 0.17 H new ATOM 0 HB3 ASN A 17 5.471 -3.741 1.030 1.00 0.17 H new ATOM 0 HD21 ASN A 17 7.843 -7.036 0.147 1.00 0.58 H new ATOM 0 HD22 ASN A 17 7.109 -6.101 -1.160 1.00 0.58 H new ATOM 275 N LEU A 18 3.326 -3.048 -1.150 1.00 0.14 N ATOM 276 CA LEU A 18 2.269 -1.984 -1.223 1.00 0.15 C ATOM 277 C LEU A 18 0.894 -2.648 -1.180 1.00 0.18 C ATOM 278 O LEU A 18 0.029 -2.237 -0.445 1.00 0.26 O ATOM 279 CB LEU A 18 2.461 -1.213 -2.559 1.00 0.09 C ATOM 280 CG LEU A 18 1.370 -0.109 -2.809 1.00 0.10 C ATOM 281 CD1 LEU A 18 -0.004 -0.732 -3.073 1.00 0.04 C ATOM 282 CD2 LEU A 18 1.267 0.853 -1.623 1.00 0.22 C ATOM 0 H LEU A 18 4.079 -2.963 -1.833 1.00 0.14 H new ATOM 0 HA LEU A 18 2.347 -1.291 -0.385 1.00 0.15 H new ATOM 0 HB2 LEU A 18 3.446 -0.746 -2.561 1.00 0.09 H new ATOM 0 HB3 LEU A 18 2.443 -1.924 -3.385 1.00 0.09 H new ATOM 0 HG LEU A 18 1.684 0.448 -3.692 1.00 0.10 H new ATOM 0 HD11 LEU A 18 -0.735 0.058 -3.242 1.00 0.04 H new ATOM 0 HD12 LEU A 18 0.050 -1.371 -3.954 1.00 0.04 H new ATOM 0 HD13 LEU A 18 -0.305 -1.327 -2.211 1.00 0.04 H new ATOM 0 HD21 LEU A 18 0.504 1.604 -1.829 1.00 0.22 H new ATOM 0 HD22 LEU A 18 0.996 0.297 -0.726 1.00 0.22 H new ATOM 0 HD23 LEU A 18 2.227 1.345 -1.469 1.00 0.22 H new ATOM 294 N THR A 19 0.725 -3.667 -1.972 1.00 0.16 N ATOM 295 CA THR A 19 -0.593 -4.367 -1.997 1.00 0.26 C ATOM 296 C THR A 19 -0.873 -5.057 -0.654 1.00 0.29 C ATOM 297 O THR A 19 -1.975 -5.011 -0.156 1.00 0.40 O ATOM 298 CB THR A 19 -0.586 -5.409 -3.117 1.00 0.28 C ATOM 299 OG1 THR A 19 -0.412 -4.653 -4.311 1.00 0.39 O ATOM 300 CG2 THR A 19 -1.946 -6.085 -3.261 1.00 0.41 C ATOM 0 H THR A 19 1.434 -4.046 -2.600 1.00 0.16 H new ATOM 0 HA THR A 19 -1.377 -3.631 -2.174 1.00 0.26 H new ATOM 0 HB THR A 19 0.174 -6.165 -2.920 1.00 0.28 H new ATOM 0 HG1 THR A 19 0.538 -4.445 -4.431 1.00 0.39 H new ATOM 0 HG21 THR A 19 -1.904 -6.819 -4.066 1.00 0.41 H new ATOM 0 HG22 THR A 19 -2.205 -6.585 -2.327 1.00 0.41 H new ATOM 0 HG23 THR A 19 -2.702 -5.335 -3.493 1.00 0.41 H new ATOM 308 N LYS A 20 0.129 -5.676 -0.095 1.00 0.22 N ATOM 309 CA LYS A 20 -0.080 -6.372 1.216 1.00 0.31 C ATOM 310 C LYS A 20 -0.850 -5.451 2.174 1.00 0.36 C ATOM 311 O LYS A 20 -1.434 -5.895 3.143 1.00 0.68 O ATOM 312 CB LYS A 20 1.289 -6.726 1.809 1.00 0.35 C ATOM 313 CG LYS A 20 1.218 -8.099 2.498 1.00 0.36 C ATOM 314 CD LYS A 20 2.614 -8.491 3.002 1.00 1.15 C ATOM 315 CE LYS A 20 2.637 -8.438 4.531 1.00 1.61 C ATOM 316 NZ LYS A 20 2.330 -7.064 5.010 1.00 2.60 N ATOM 0 H LYS A 20 1.073 -5.733 -0.478 1.00 0.22 H new ATOM 0 HA LYS A 20 -0.660 -7.283 1.067 1.00 0.31 H new ATOM 0 HB2 LYS A 20 2.043 -6.742 1.022 1.00 0.35 H new ATOM 0 HB3 LYS A 20 1.593 -5.964 2.527 1.00 0.35 H new ATOM 0 HG2 LYS A 20 0.516 -8.064 3.331 1.00 0.36 H new ATOM 0 HG3 LYS A 20 0.848 -8.850 1.800 1.00 0.36 H new ATOM 0 HD2 LYS A 20 2.868 -9.494 2.658 1.00 1.15 H new ATOM 0 HD3 LYS A 20 3.364 -7.814 2.593 1.00 1.15 H new ATOM 0 HE2 LYS A 20 1.910 -9.142 4.936 1.00 1.61 H new ATOM 0 HE3 LYS A 20 3.616 -8.746 4.897 1.00 1.61 H new ATOM 0 HZ1 LYS A 20 2.686 -6.947 5.980 1.00 2.60 H new ATOM 0 HZ2 LYS A 20 2.788 -6.369 4.387 1.00 2.60 H new ATOM 0 HZ3 LYS A 20 1.301 -6.914 4.999 1.00 2.60 H new ATOM 330 N HIS A 21 -0.830 -4.189 1.866 1.00 0.07 N ATOM 331 CA HIS A 21 -1.549 -3.193 2.714 1.00 0.10 C ATOM 332 C HIS A 21 -2.976 -3.021 2.201 1.00 0.12 C ATOM 333 O HIS A 21 -3.929 -3.041 2.955 1.00 0.17 O ATOM 334 CB HIS A 21 -0.807 -1.878 2.597 1.00 0.13 C ATOM 335 CG HIS A 21 -1.476 -0.792 3.437 1.00 0.16 C ATOM 336 ND1 HIS A 21 -1.854 -0.913 4.650 1.00 0.14 N ATOM 337 CD2 HIS A 21 -1.786 0.510 3.085 1.00 0.19 C ATOM 338 CE1 HIS A 21 -2.365 0.184 5.080 1.00 0.15 C ATOM 339 NE2 HIS A 21 -2.352 1.099 4.146 1.00 0.19 N ATOM 0 H HIS A 21 -0.345 -3.798 1.059 1.00 0.07 H new ATOM 0 HA HIS A 21 -1.588 -3.525 3.752 1.00 0.10 H new ATOM 0 HB2 HIS A 21 0.225 -2.009 2.922 1.00 0.13 H new ATOM 0 HB3 HIS A 21 -0.775 -1.567 1.553 1.00 0.13 H new ATOM 0 HD1 HIS A 21 -1.763 -1.765 5.203 1.00 0.14 H new ATOM 0 HD2 HIS A 21 -1.604 0.970 2.125 1.00 0.19 H new ATOM 0 HE1 HIS A 21 -2.753 0.331 6.077 1.00 0.15 H new ATOM 347 N MET A 22 -3.081 -2.853 0.917 1.00 0.10 N ATOM 348 CA MET A 22 -4.434 -2.677 0.287 1.00 0.12 C ATOM 349 C MET A 22 -5.245 -3.985 0.312 1.00 0.11 C ATOM 350 O MET A 22 -6.386 -3.998 0.734 1.00 0.30 O ATOM 351 CB MET A 22 -4.262 -2.239 -1.168 1.00 0.18 C ATOM 352 CG MET A 22 -3.894 -0.758 -1.222 1.00 0.36 C ATOM 353 SD MET A 22 -2.772 -0.119 0.040 1.00 1.40 S ATOM 354 CE MET A 22 -3.532 1.517 0.212 1.00 0.62 C ATOM 0 H MET A 22 -2.295 -2.828 0.268 1.00 0.10 H new ATOM 0 HA MET A 22 -4.973 -1.922 0.859 1.00 0.12 H new ATOM 0 HB2 MET A 22 -3.485 -2.834 -1.647 1.00 0.18 H new ATOM 0 HB3 MET A 22 -5.184 -2.414 -1.722 1.00 0.18 H new ATOM 0 HG2 MET A 22 -3.448 -0.560 -2.197 1.00 0.36 H new ATOM 0 HG3 MET A 22 -4.818 -0.182 -1.171 1.00 0.36 H new ATOM 0 HE1 MET A 22 -2.782 2.233 0.547 1.00 0.62 H new ATOM 0 HE2 MET A 22 -3.933 1.835 -0.750 1.00 0.62 H new ATOM 0 HE3 MET A 22 -4.339 1.468 0.943 1.00 0.62 H new ATOM 364 N LYS A 23 -4.643 -5.055 -0.144 1.00 0.41 N ATOM 365 CA LYS A 23 -5.381 -6.361 -0.175 1.00 0.55 C ATOM 366 C LYS A 23 -6.155 -6.565 1.132 1.00 0.51 C ATOM 367 O LYS A 23 -7.173 -7.228 1.156 1.00 0.52 O ATOM 368 CB LYS A 23 -4.371 -7.510 -0.411 1.00 0.77 C ATOM 369 CG LYS A 23 -4.220 -8.388 0.850 1.00 1.04 C ATOM 370 CD LYS A 23 -3.111 -9.421 0.612 1.00 1.90 C ATOM 371 CE LYS A 23 -3.715 -10.824 0.688 1.00 2.07 C ATOM 372 NZ LYS A 23 -4.725 -11.016 -0.394 1.00 1.16 N ATOM 0 H LYS A 23 -3.685 -5.085 -0.493 1.00 0.41 H new ATOM 0 HA LYS A 23 -6.104 -6.355 -0.991 1.00 0.55 H new ATOM 0 HB2 LYS A 23 -4.704 -8.124 -1.247 1.00 0.77 H new ATOM 0 HB3 LYS A 23 -3.402 -7.095 -0.687 1.00 0.77 H new ATOM 0 HG2 LYS A 23 -3.978 -7.768 1.713 1.00 1.04 H new ATOM 0 HG3 LYS A 23 -5.161 -8.891 1.073 1.00 1.04 H new ATOM 0 HD2 LYS A 23 -2.650 -9.261 -0.363 1.00 1.90 H new ATOM 0 HD3 LYS A 23 -2.325 -9.308 1.358 1.00 1.90 H new ATOM 0 HE2 LYS A 23 -2.927 -11.571 0.595 1.00 2.07 H new ATOM 0 HE3 LYS A 23 -4.183 -10.973 1.661 1.00 2.07 H new ATOM 0 HZ1 LYS A 23 -4.801 -12.028 -0.622 1.00 1.16 H new ATOM 0 HZ2 LYS A 23 -5.649 -10.663 -0.073 1.00 1.16 H new ATOM 0 HZ3 LYS A 23 -4.430 -10.491 -1.242 1.00 1.16 H new ATOM 386 N SER A 24 -5.657 -5.995 2.189 1.00 0.62 N ATOM 387 CA SER A 24 -6.364 -6.137 3.490 1.00 0.57 C ATOM 388 C SER A 24 -7.544 -5.163 3.529 1.00 0.53 C ATOM 389 O SER A 24 -7.588 -4.216 2.771 1.00 0.51 O ATOM 390 CB SER A 24 -5.390 -5.817 4.623 1.00 0.55 C ATOM 391 OG SER A 24 -5.924 -4.645 5.219 1.00 1.63 O ATOM 0 H SER A 24 -4.800 -5.442 2.211 1.00 0.62 H new ATOM 0 HA SER A 24 -6.734 -7.156 3.607 1.00 0.57 H new ATOM 0 HB2 SER A 24 -5.329 -6.636 5.340 1.00 0.55 H new ATOM 0 HB3 SER A 24 -4.381 -5.648 4.246 1.00 0.55 H new ATOM 0 HG SER A 24 -5.353 -4.369 5.966 1.00 1.63 H new ATOM 397 N LYS A 25 -8.476 -5.408 4.406 1.00 0.61 N ATOM 398 CA LYS A 25 -9.652 -4.491 4.486 1.00 0.61 C ATOM 399 C LYS A 25 -9.241 -3.162 5.132 1.00 0.57 C ATOM 400 O LYS A 25 -10.059 -2.468 5.703 1.00 0.79 O ATOM 401 CB LYS A 25 -10.752 -5.151 5.317 1.00 0.72 C ATOM 402 CG LYS A 25 -12.118 -4.707 4.786 1.00 1.63 C ATOM 403 CD LYS A 25 -13.209 -5.210 5.729 1.00 1.92 C ATOM 404 CE LYS A 25 -14.548 -5.225 4.985 1.00 2.99 C ATOM 405 NZ LYS A 25 -15.666 -4.918 5.919 1.00 3.88 N ATOM 0 H LYS A 25 -8.479 -6.189 5.062 1.00 0.61 H new ATOM 0 HA LYS A 25 -10.023 -4.293 3.480 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -10.663 -6.236 5.264 1.00 0.72 H new ATOM 0 HB3 LYS A 25 -10.648 -4.873 6.366 1.00 0.72 H new ATOM 0 HG2 LYS A 25 -12.157 -3.620 4.712 1.00 1.63 H new ATOM 0 HG3 LYS A 25 -12.277 -5.101 3.782 1.00 1.63 H new ATOM 0 HD2 LYS A 25 -12.966 -6.211 6.085 1.00 1.92 H new ATOM 0 HD3 LYS A 25 -13.274 -4.566 6.606 1.00 1.92 H new ATOM 0 HE2 LYS A 25 -14.530 -4.494 4.177 1.00 2.99 H new ATOM 0 HE3 LYS A 25 -14.706 -6.202 4.528 1.00 2.99 H new ATOM 0 HZ1 LYS A 25 -16.567 -4.932 5.399 1.00 3.88 H new ATOM 0 HZ2 LYS A 25 -15.692 -5.631 6.676 1.00 3.88 H new ATOM 0 HZ3 LYS A 25 -15.522 -3.976 6.336 1.00 3.88 H new ATOM 419 N ALA A 26 -7.977 -2.839 5.028 1.00 0.42 N ATOM 420 CA ALA A 26 -7.495 -1.561 5.623 1.00 0.51 C ATOM 421 C ALA A 26 -8.361 -0.406 5.132 1.00 0.35 C ATOM 422 O ALA A 26 -9.334 -0.052 5.769 1.00 0.41 O ATOM 423 CB ALA A 26 -6.046 -1.327 5.204 1.00 0.60 C ATOM 0 H ALA A 26 -7.265 -3.401 4.561 1.00 0.42 H new ATOM 0 HA ALA A 26 -7.558 -1.619 6.710 1.00 0.51 H new ATOM 0 HB1 ALA A 26 -5.688 -0.393 5.637 1.00 0.60 H new ATOM 0 HB2 ALA A 26 -5.427 -2.151 5.558 1.00 0.60 H new ATOM 0 HB3 ALA A 26 -5.986 -1.270 4.117 1.00 0.60 H new ATOM 429 N HIS A 27 -7.999 0.162 4.008 1.00 0.24 N ATOM 430 CA HIS A 27 -8.824 1.287 3.486 1.00 0.16 C ATOM 431 C HIS A 27 -8.418 1.697 2.065 1.00 0.33 C ATOM 432 O HIS A 27 -7.766 2.705 1.870 1.00 0.54 O ATOM 433 CB HIS A 27 -8.693 2.484 4.415 1.00 0.22 C ATOM 434 CG HIS A 27 -7.214 2.856 4.645 1.00 0.25 C ATOM 435 ND1 HIS A 27 -6.842 3.757 5.463 1.00 0.30 N ATOM 436 CD2 HIS A 27 -6.022 2.383 4.055 1.00 0.21 C ATOM 437 CE1 HIS A 27 -5.583 3.903 5.456 1.00 0.30 C ATOM 438 NE2 HIS A 27 -5.008 3.085 4.610 1.00 0.25 N ATOM 0 H HIS A 27 -7.190 -0.098 3.444 1.00 0.24 H new ATOM 0 HA HIS A 27 -9.858 0.945 3.446 1.00 0.16 H new ATOM 0 HB2 HIS A 27 -9.223 3.337 3.990 1.00 0.22 H new ATOM 0 HB3 HIS A 27 -9.166 2.259 5.371 1.00 0.22 H new ATOM 0 HD1 HIS A 27 -7.478 4.295 6.051 1.00 0.30 H new ATOM 0 HD2 HIS A 27 -5.936 1.610 3.305 1.00 0.21 H new ATOM 0 HE1 HIS A 27 -5.051 4.613 6.071 1.00 0.30 H new ATOM 446 N SER A 28 -8.813 0.907 1.102 1.00 0.28 N ATOM 447 CA SER A 28 -8.494 1.250 -0.301 1.00 0.47 C ATOM 448 C SER A 28 -9.249 0.329 -1.264 1.00 0.60 C ATOM 449 O SER A 28 -8.740 -0.699 -1.670 1.00 0.82 O ATOM 450 CB SER A 28 -7.010 1.090 -0.505 1.00 0.67 C ATOM 451 OG SER A 28 -6.691 -0.088 0.219 1.00 1.62 O ATOM 0 H SER A 28 -9.340 0.044 1.232 1.00 0.28 H new ATOM 0 HA SER A 28 -8.796 2.278 -0.503 1.00 0.47 H new ATOM 0 HB2 SER A 28 -6.760 0.990 -1.561 1.00 0.67 H new ATOM 0 HB3 SER A 28 -6.460 1.952 -0.128 1.00 0.67 H new ATOM 0 HG SER A 28 -7.203 -0.842 -0.142 1.00 1.62 H new ATOM 457 N LYS A 29 -10.449 0.726 -1.606 1.00 0.81 N ATOM 458 CA LYS A 29 -11.269 -0.100 -2.545 1.00 1.03 C ATOM 459 C LYS A 29 -11.666 0.740 -3.762 1.00 1.41 C ATOM 460 O LYS A 29 -12.823 0.804 -4.129 1.00 1.35 O ATOM 461 CB LYS A 29 -12.524 -0.575 -1.819 1.00 0.78 C ATOM 462 CG LYS A 29 -12.109 -1.493 -0.667 1.00 0.88 C ATOM 463 CD LYS A 29 -12.644 -0.931 0.655 1.00 1.61 C ATOM 464 CE LYS A 29 -14.173 -0.892 0.607 1.00 1.43 C ATOM 465 NZ LYS A 29 -14.749 -1.526 1.826 1.00 1.86 N ATOM 0 H LYS A 29 -10.895 1.582 -1.277 1.00 0.81 H new ATOM 0 HA LYS A 29 -10.688 -0.959 -2.881 1.00 1.03 H new ATOM 0 HB2 LYS A 29 -13.086 0.278 -1.438 1.00 0.78 H new ATOM 0 HB3 LYS A 29 -13.180 -1.107 -2.508 1.00 0.78 H new ATOM 0 HG2 LYS A 29 -12.498 -2.498 -0.831 1.00 0.88 H new ATOM 0 HG3 LYS A 29 -11.023 -1.574 -0.626 1.00 0.88 H new ATOM 0 HD2 LYS A 29 -12.311 -1.550 1.488 1.00 1.61 H new ATOM 0 HD3 LYS A 29 -12.248 0.071 0.824 1.00 1.61 H new ATOM 0 HE2 LYS A 29 -14.514 0.140 0.531 1.00 1.43 H new ATOM 0 HE3 LYS A 29 -14.528 -1.412 -0.283 1.00 1.43 H new ATOM 0 HZ1 LYS A 29 -15.787 -1.491 1.778 1.00 1.86 H new ATOM 0 HZ2 LYS A 29 -14.438 -2.517 1.882 1.00 1.86 H new ATOM 0 HZ3 LYS A 29 -14.424 -1.013 2.670 1.00 1.86 H new ATOM 479 N LYS A 30 -10.692 1.365 -4.363 1.00 2.09 N ATOM 480 CA LYS A 30 -10.983 2.212 -5.542 1.00 2.47 C ATOM 481 C LYS A 30 -9.812 2.161 -6.534 1.00 3.20 C ATOM 482 O LYS A 30 -8.701 2.362 -6.069 1.00 3.56 O ATOM 483 CB LYS A 30 -11.192 3.651 -5.075 1.00 2.74 C ATOM 484 CG LYS A 30 -12.658 4.049 -5.273 1.00 2.38 C ATOM 485 CD LYS A 30 -12.824 5.522 -4.893 1.00 3.25 C ATOM 486 CE LYS A 30 -14.288 5.927 -5.066 1.00 3.26 C ATOM 487 NZ LYS A 30 -14.817 6.521 -3.807 1.00 3.49 N ATOM 488 OXT LYS A 30 -10.097 1.927 -7.695 1.00 3.57 O ATOM 0 H LYS A 30 -9.711 1.323 -4.086 1.00 2.09 H new ATOM 0 HA LYS A 30 -11.880 1.844 -6.040 1.00 2.47 H new ATOM 0 HB2 LYS A 30 -10.918 3.746 -4.024 1.00 2.74 H new ATOM 0 HB3 LYS A 30 -10.543 4.324 -5.636 1.00 2.74 H new ATOM 0 HG2 LYS A 30 -12.955 3.891 -6.310 1.00 2.38 H new ATOM 0 HG3 LYS A 30 -13.305 3.425 -4.657 1.00 2.38 H new ATOM 0 HD2 LYS A 30 -12.510 5.681 -3.861 1.00 3.25 H new ATOM 0 HD3 LYS A 30 -12.186 6.145 -5.520 1.00 3.25 H new ATOM 0 HE2 LYS A 30 -14.379 6.646 -5.880 1.00 3.26 H new ATOM 0 HE3 LYS A 30 -14.882 5.056 -5.342 1.00 3.26 H new ATOM 0 HZ1 LYS A 30 -15.812 6.791 -3.942 1.00 3.49 H new ATOM 0 HZ2 LYS A 30 -14.748 5.824 -3.038 1.00 3.49 H new ATOM 0 HZ3 LYS A 30 -14.260 7.364 -3.560 1.00 3.49 H new TER 502 LYS A 30 HETATM 503 ZN ZN A 31 -3.021 2.984 4.271 1.00 0.24 ZN