USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 248 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 26 HIS HE2 : A 26 HIS NE2 : A 31 ZNZN :(H bumps) USER MOD Set 1.1: A 6 GLN : amide:sc= 0.823 K(o=1.8,f=0.25) USER MOD Set 1.2: A 7 TYR OH : rot 180:sc= 0.839 USER MOD Set 1.3: A 28 LYS NZ :NH3+ -131:sc= 0.187 (180deg=-0.254) USER MOD Set 2.1: A 10 TYR OH : rot 165:sc= 0.0323 USER MOD Set 2.2: A 12 SER OG : rot -43:sc= 0.328 USER MOD Single : A 1 LYS N :NH3+ -127:sc= 0.0612 (180deg=-0.216) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= -0.476 USER MOD Single : A 4 GLN : amide:sc= 0.253 X(o=0.25,f=-0.0043) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 17 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -145:sc= -1.01 (180deg=-3.29!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0422 (180deg=-0.388) USER MOD Single : A 27 SER OG : rot 180:sc=-0.00142 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.105 -8.098 11.615 1.00 0.00 N ATOM 2 CA LYS A 1 -5.316 -6.848 11.823 1.00 0.00 C ATOM 3 C LYS A 1 -5.593 -5.837 10.689 1.00 0.00 C ATOM 4 O LYS A 1 -6.196 -6.171 9.686 1.00 0.00 O ATOM 5 CB LYS A 1 -3.791 -7.198 11.871 1.00 0.00 C ATOM 6 CG LYS A 1 -3.474 -7.987 13.170 1.00 0.00 C ATOM 7 CD LYS A 1 -1.967 -8.369 13.270 1.00 0.00 C ATOM 8 CE LYS A 1 -1.529 -9.323 12.139 1.00 0.00 C ATOM 9 NZ LYS A 1 -0.257 -10.008 12.522 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.649 -8.312 12.475 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.758 -7.968 10.816 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.459 -8.886 11.409 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.614 -6.393 12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -3.517 -7.791 10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -3.197 -6.285 11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.754 -7.387 14.036 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.080 -8.892 13.201 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -1.362 -7.463 13.233 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.777 -8.841 14.234 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.308 -10.061 11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.388 -8.765 11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.035 -10.650 11.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 0.486 -9.298 12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.406 -10.554 13.395 1.00 0.00 H new ATOM 25 N THR A 2 -5.133 -4.629 10.902 1.00 0.00 N ATOM 26 CA THR A 2 -5.307 -3.519 9.910 1.00 0.00 C ATOM 27 C THR A 2 -3.917 -3.180 9.389 1.00 0.00 C ATOM 28 O THR A 2 -2.957 -3.257 10.128 1.00 0.00 O ATOM 29 CB THR A 2 -5.950 -2.299 10.629 1.00 0.00 C ATOM 30 OG1 THR A 2 -7.346 -2.471 10.444 1.00 0.00 O ATOM 31 CG2 THR A 2 -5.629 -0.918 9.997 1.00 0.00 C ATOM 0 H THR A 2 -4.629 -4.358 11.746 1.00 0.00 H new ATOM 0 HA THR A 2 -5.958 -3.801 9.083 1.00 0.00 H new ATOM 0 HB THR A 2 -5.577 -2.283 11.653 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.826 -1.734 10.875 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.122 -0.132 10.569 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.552 -0.754 10.009 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.987 -0.897 8.968 1.00 0.00 H new ATOM 39 N TYR A 3 -3.841 -2.802 8.142 1.00 0.00 N ATOM 40 CA TYR A 3 -2.518 -2.452 7.541 1.00 0.00 C ATOM 41 C TYR A 3 -2.672 -1.046 6.986 1.00 0.00 C ATOM 42 O TYR A 3 -3.582 -0.761 6.231 1.00 0.00 O ATOM 43 CB TYR A 3 -2.217 -3.492 6.459 1.00 0.00 C ATOM 44 CG TYR A 3 -2.435 -4.870 7.108 1.00 0.00 C ATOM 45 CD1 TYR A 3 -1.598 -5.334 8.108 1.00 0.00 C ATOM 46 CD2 TYR A 3 -3.491 -5.653 6.701 1.00 0.00 C ATOM 47 CE1 TYR A 3 -1.822 -6.564 8.693 1.00 0.00 C ATOM 48 CE2 TYR A 3 -3.711 -6.876 7.288 1.00 0.00 C ATOM 49 CZ TYR A 3 -2.882 -7.343 8.281 1.00 0.00 C ATOM 50 OH TYR A 3 -3.133 -8.581 8.835 1.00 0.00 O ATOM 0 H TYR A 3 -4.638 -2.720 7.511 1.00 0.00 H new ATOM 0 HA TYR A 3 -1.687 -2.464 8.246 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.874 -3.359 5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -1.194 -3.391 6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.764 -4.730 8.433 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.149 -5.305 5.918 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.166 -6.917 9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.547 -7.479 6.965 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.925 -8.974 8.412 1.00 0.00 H new ATOM 60 N GLN A 4 -1.741 -0.226 7.390 1.00 0.00 N ATOM 61 CA GLN A 4 -1.718 1.202 6.968 1.00 0.00 C ATOM 62 C GLN A 4 -0.462 1.503 6.139 1.00 0.00 C ATOM 63 O GLN A 4 0.595 0.962 6.388 1.00 0.00 O ATOM 64 CB GLN A 4 -1.795 2.005 8.294 1.00 0.00 C ATOM 65 CG GLN A 4 -1.594 3.519 8.126 1.00 0.00 C ATOM 66 CD GLN A 4 -2.798 4.165 7.452 1.00 0.00 C ATOM 67 OE1 GLN A 4 -3.913 4.127 7.931 1.00 0.00 O ATOM 68 NE2 GLN A 4 -2.594 4.774 6.321 1.00 0.00 N ATOM 0 H GLN A 4 -0.977 -0.494 8.010 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.545 1.472 6.312 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.766 1.828 8.757 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.040 1.624 8.981 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.431 3.977 9.102 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.699 3.706 7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.657 4.805 5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.371 5.221 5.835 1.00 0.00 H new ATOM 77 N CYS A 5 -0.635 2.376 5.175 1.00 0.00 N ATOM 78 CA CYS A 5 0.490 2.779 4.278 1.00 0.00 C ATOM 79 C CYS A 5 1.120 4.036 4.878 1.00 0.00 C ATOM 80 O CYS A 5 0.447 4.754 5.593 1.00 0.00 O ATOM 81 CB CYS A 5 -0.091 3.068 2.883 1.00 0.00 C ATOM 82 SG CYS A 5 0.993 3.830 1.660 1.00 0.00 S ATOM 0 H CYS A 5 -1.524 2.833 4.970 1.00 0.00 H new ATOM 0 HA CYS A 5 1.246 1.999 4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.452 2.126 2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.959 3.715 3.010 1.00 0.00 H new ATOM 87 N GLN A 6 2.376 4.265 4.573 1.00 0.00 N ATOM 88 CA GLN A 6 3.091 5.471 5.113 1.00 0.00 C ATOM 89 C GLN A 6 3.569 6.419 4.001 1.00 0.00 C ATOM 90 O GLN A 6 4.536 7.138 4.181 1.00 0.00 O ATOM 91 CB GLN A 6 4.313 4.999 5.935 1.00 0.00 C ATOM 92 CG GLN A 6 5.245 4.112 5.070 1.00 0.00 C ATOM 93 CD GLN A 6 6.604 3.903 5.756 1.00 0.00 C ATOM 94 OE1 GLN A 6 6.822 4.284 6.889 1.00 0.00 O ATOM 95 NE2 GLN A 6 7.553 3.294 5.103 1.00 0.00 N ATOM 0 H GLN A 6 2.941 3.667 3.970 1.00 0.00 H new ATOM 0 HA GLN A 6 2.387 6.025 5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 6 4.865 5.863 6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.976 4.439 6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.771 3.146 4.893 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.394 4.578 4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.388 2.967 4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.460 3.144 5.544 1.00 0.00 H new ATOM 104 N TYR A 7 2.879 6.402 2.892 1.00 0.00 N ATOM 105 CA TYR A 7 3.277 7.296 1.756 1.00 0.00 C ATOM 106 C TYR A 7 2.089 8.196 1.366 1.00 0.00 C ATOM 107 O TYR A 7 2.246 9.393 1.221 1.00 0.00 O ATOM 108 CB TYR A 7 3.722 6.409 0.566 1.00 0.00 C ATOM 109 CG TYR A 7 4.728 5.326 1.043 1.00 0.00 C ATOM 110 CD1 TYR A 7 6.014 5.633 1.462 1.00 0.00 C ATOM 111 CD2 TYR A 7 4.331 4.002 1.056 1.00 0.00 C ATOM 112 CE1 TYR A 7 6.872 4.634 1.882 1.00 0.00 C ATOM 113 CE2 TYR A 7 5.186 3.008 1.472 1.00 0.00 C ATOM 114 CZ TYR A 7 6.461 3.318 1.892 1.00 0.00 C ATOM 115 OH TYR A 7 7.312 2.318 2.316 1.00 0.00 O ATOM 0 H TYR A 7 2.063 5.814 2.720 1.00 0.00 H new ATOM 0 HA TYR A 7 4.105 7.942 2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.852 5.932 0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.182 7.028 -0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.347 6.660 1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.333 3.744 0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.871 4.886 2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.856 1.980 1.469 1.00 0.00 H new ATOM 0 HH TYR A 7 6.855 1.453 2.257 1.00 0.00 H new ATOM 125 N CYS A 8 0.943 7.582 1.210 1.00 0.00 N ATOM 126 CA CYS A 8 -0.311 8.314 0.831 1.00 0.00 C ATOM 127 C CYS A 8 -1.316 8.200 1.998 1.00 0.00 C ATOM 128 O CYS A 8 -0.932 7.942 3.123 1.00 0.00 O ATOM 129 CB CYS A 8 -0.877 7.671 -0.425 1.00 0.00 C ATOM 130 SG CYS A 8 -1.553 6.016 -0.192 1.00 0.00 S ATOM 0 H CYS A 8 0.819 6.577 1.332 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.110 9.368 0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.661 8.315 -0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.090 7.624 -1.178 1.00 0.00 H new ATOM 135 N GLU A 9 -2.574 8.384 1.689 1.00 0.00 N ATOM 136 CA GLU A 9 -3.652 8.304 2.736 1.00 0.00 C ATOM 137 C GLU A 9 -4.549 7.044 2.564 1.00 0.00 C ATOM 138 O GLU A 9 -5.745 7.128 2.769 1.00 0.00 O ATOM 139 CB GLU A 9 -4.541 9.574 2.637 1.00 0.00 C ATOM 140 CG GLU A 9 -3.717 10.899 2.513 1.00 0.00 C ATOM 141 CD GLU A 9 -2.652 10.995 3.612 1.00 0.00 C ATOM 142 OE1 GLU A 9 -3.053 11.052 4.762 1.00 0.00 O ATOM 143 OE2 GLU A 9 -1.493 11.006 3.243 1.00 0.00 O ATOM 0 H GLU A 9 -2.909 8.589 0.748 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.168 8.236 3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.199 9.482 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.179 9.632 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.239 10.942 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.388 11.755 2.578 1.00 0.00 H new ATOM 150 N TYR A 10 -3.974 5.915 2.202 1.00 0.00 N ATOM 151 CA TYR A 10 -4.795 4.666 2.027 1.00 0.00 C ATOM 152 C TYR A 10 -4.467 3.526 3.027 1.00 0.00 C ATOM 153 O TYR A 10 -3.375 3.439 3.558 1.00 0.00 O ATOM 154 CB TYR A 10 -4.577 4.202 0.576 1.00 0.00 C ATOM 155 CG TYR A 10 -5.233 2.844 0.330 1.00 0.00 C ATOM 156 CD1 TYR A 10 -6.586 2.746 0.084 1.00 0.00 C ATOM 157 CD2 TYR A 10 -4.471 1.694 0.366 1.00 0.00 C ATOM 158 CE1 TYR A 10 -7.171 1.516 -0.126 1.00 0.00 C ATOM 159 CE2 TYR A 10 -5.051 0.464 0.155 1.00 0.00 C ATOM 160 CZ TYR A 10 -6.409 0.363 -0.090 1.00 0.00 C ATOM 161 OH TYR A 10 -6.982 -0.876 -0.292 1.00 0.00 O ATOM 0 H TYR A 10 -2.976 5.805 2.021 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.837 4.905 2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.991 4.940 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.509 4.137 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.192 3.640 0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.411 1.760 0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.232 1.452 -0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.442 -0.428 0.181 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.280 -1.536 -0.468 1.00 0.00 H new ATOM 171 N ARG A 11 -5.460 2.689 3.238 1.00 0.00 N ATOM 172 CA ARG A 11 -5.345 1.511 4.165 1.00 0.00 C ATOM 173 C ARG A 11 -6.115 0.295 3.618 1.00 0.00 C ATOM 174 O ARG A 11 -6.970 0.426 2.765 1.00 0.00 O ATOM 175 CB ARG A 11 -5.931 1.836 5.571 1.00 0.00 C ATOM 176 CG ARG A 11 -7.322 2.492 5.445 1.00 0.00 C ATOM 177 CD ARG A 11 -8.014 2.531 6.837 1.00 0.00 C ATOM 178 NE ARG A 11 -8.787 1.259 7.012 1.00 0.00 N ATOM 179 CZ ARG A 11 -8.472 0.390 7.935 1.00 0.00 C ATOM 180 NH1 ARG A 11 -8.661 0.649 9.204 1.00 0.00 N ATOM 181 NH2 ARG A 11 -7.978 -0.753 7.561 1.00 0.00 N ATOM 0 H ARG A 11 -6.373 2.777 2.792 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.281 1.285 4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.007 0.921 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.256 2.504 6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.223 3.503 5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.936 1.932 4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.271 2.636 7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.678 3.392 6.907 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.577 1.067 6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.061 1.543 9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.408 -0.043 9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.846 -0.951 6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.723 -1.451 8.259 1.00 0.00 H new ATOM 195 N SER A 12 -5.775 -0.851 4.148 1.00 0.00 N ATOM 196 CA SER A 12 -6.414 -2.154 3.759 1.00 0.00 C ATOM 197 C SER A 12 -6.622 -2.997 5.042 1.00 0.00 C ATOM 198 O SER A 12 -5.996 -2.719 6.050 1.00 0.00 O ATOM 199 CB SER A 12 -5.496 -2.942 2.806 1.00 0.00 C ATOM 200 OG SER A 12 -5.002 -2.016 1.847 1.00 0.00 O ATOM 0 H SER A 12 -5.053 -0.944 4.862 1.00 0.00 H new ATOM 0 HA SER A 12 -7.361 -1.953 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.675 -3.404 3.355 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.046 -3.747 2.318 1.00 0.00 H new ATOM 0 HG SER A 12 -5.730 -1.430 1.553 1.00 0.00 H new ATOM 206 N ALA A 13 -7.471 -3.995 4.984 1.00 0.00 N ATOM 207 CA ALA A 13 -7.720 -4.857 6.188 1.00 0.00 C ATOM 208 C ALA A 13 -7.406 -6.324 5.818 1.00 0.00 C ATOM 209 O ALA A 13 -8.045 -7.239 6.301 1.00 0.00 O ATOM 210 CB ALA A 13 -9.208 -4.704 6.606 1.00 0.00 C ATOM 0 H ALA A 13 -8.005 -4.252 4.154 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.084 -4.558 7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.406 -5.324 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.413 -3.661 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.851 -5.019 5.784 1.00 0.00 H new ATOM 216 N ASP A 14 -6.423 -6.495 4.968 1.00 0.00 N ATOM 217 CA ASP A 14 -6.006 -7.857 4.503 1.00 0.00 C ATOM 218 C ASP A 14 -4.495 -8.123 4.609 1.00 0.00 C ATOM 219 O ASP A 14 -4.100 -9.053 5.282 1.00 0.00 O ATOM 220 CB ASP A 14 -6.491 -7.992 3.055 1.00 0.00 C ATOM 221 CG ASP A 14 -5.873 -9.229 2.382 1.00 0.00 C ATOM 222 OD1 ASP A 14 -6.150 -10.322 2.844 1.00 0.00 O ATOM 223 OD2 ASP A 14 -5.146 -8.970 1.439 1.00 0.00 O ATOM 0 H ASP A 14 -5.879 -5.730 4.568 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.454 -8.606 5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.578 -8.068 3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.225 -7.097 2.493 1.00 0.00 H new ATOM 228 N SER A 15 -3.743 -7.294 3.930 1.00 0.00 N ATOM 229 CA SER A 15 -2.241 -7.317 3.845 1.00 0.00 C ATOM 230 C SER A 15 -1.834 -7.410 2.369 1.00 0.00 C ATOM 231 O SER A 15 -1.102 -6.556 1.922 1.00 0.00 O ATOM 232 CB SER A 15 -1.607 -8.527 4.580 1.00 0.00 C ATOM 233 OG SER A 15 -0.206 -8.370 4.392 1.00 0.00 O ATOM 0 H SER A 15 -4.147 -6.534 3.382 1.00 0.00 H new ATOM 0 HA SER A 15 -1.883 -6.405 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.867 -8.528 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.959 -9.471 4.165 1.00 0.00 H new ATOM 0 HG SER A 15 0.268 -9.105 4.835 1.00 0.00 H new ATOM 239 N SER A 16 -2.291 -8.411 1.642 1.00 0.00 N ATOM 240 CA SER A 16 -1.915 -8.529 0.180 1.00 0.00 C ATOM 241 C SER A 16 -2.307 -7.178 -0.411 1.00 0.00 C ATOM 242 O SER A 16 -1.512 -6.523 -1.056 1.00 0.00 O ATOM 243 CB SER A 16 -2.729 -9.653 -0.520 1.00 0.00 C ATOM 244 OG SER A 16 -2.781 -10.703 0.431 1.00 0.00 O ATOM 0 H SER A 16 -2.904 -9.148 1.991 1.00 0.00 H new ATOM 0 HA SER A 16 -0.861 -8.775 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.729 -9.311 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.246 -9.977 -1.442 1.00 0.00 H new ATOM 0 HG SER A 16 -3.286 -11.456 0.059 1.00 0.00 H new ATOM 250 N ASN A 17 -3.544 -6.839 -0.151 1.00 0.00 N ATOM 251 CA ASN A 17 -4.163 -5.556 -0.597 1.00 0.00 C ATOM 252 C ASN A 17 -3.172 -4.391 -0.511 1.00 0.00 C ATOM 253 O ASN A 17 -2.968 -3.654 -1.462 1.00 0.00 O ATOM 254 CB ASN A 17 -5.369 -5.252 0.297 1.00 0.00 C ATOM 255 CG ASN A 17 -6.598 -6.146 0.039 1.00 0.00 C ATOM 256 OD1 ASN A 17 -7.529 -6.149 0.819 1.00 0.00 O ATOM 257 ND2 ASN A 17 -6.677 -6.910 -1.015 1.00 0.00 N ATOM 0 H ASN A 17 -4.181 -7.433 0.380 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.467 -5.666 -1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.069 -5.361 1.339 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.657 -4.210 0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.504 -7.488 -1.165 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.912 -6.930 -1.689 1.00 0.00 H new ATOM 264 N LEU A 18 -2.577 -4.286 0.653 1.00 0.00 N ATOM 265 CA LEU A 18 -1.591 -3.197 0.908 1.00 0.00 C ATOM 266 C LEU A 18 -0.223 -3.455 0.240 1.00 0.00 C ATOM 267 O LEU A 18 0.302 -2.546 -0.372 1.00 0.00 O ATOM 268 CB LEU A 18 -1.415 -3.050 2.438 1.00 0.00 C ATOM 269 CG LEU A 18 -0.578 -1.784 2.743 1.00 0.00 C ATOM 270 CD1 LEU A 18 -1.371 -0.517 2.385 1.00 0.00 C ATOM 271 CD2 LEU A 18 -0.237 -1.725 4.236 1.00 0.00 C ATOM 0 H LEU A 18 -2.736 -4.914 1.441 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.978 -2.279 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.389 -2.980 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.920 -3.932 2.844 1.00 0.00 H new ATOM 0 HG LEU A 18 0.334 -1.833 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.768 0.364 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.619 -0.531 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.289 -0.485 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.352 -0.831 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.158 -1.694 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.338 -2.609 4.513 1.00 0.00 H new ATOM 283 N LYS A 19 0.327 -4.642 0.355 1.00 0.00 N ATOM 284 CA LYS A 19 1.652 -4.939 -0.279 1.00 0.00 C ATOM 285 C LYS A 19 1.578 -4.470 -1.747 1.00 0.00 C ATOM 286 O LYS A 19 2.434 -3.752 -2.226 1.00 0.00 O ATOM 287 CB LYS A 19 1.949 -6.499 -0.165 1.00 0.00 C ATOM 288 CG LYS A 19 1.638 -7.303 -1.459 1.00 0.00 C ATOM 289 CD LYS A 19 1.973 -8.797 -1.279 1.00 0.00 C ATOM 290 CE LYS A 19 3.499 -9.029 -1.188 1.00 0.00 C ATOM 291 NZ LYS A 19 3.778 -10.485 -1.017 1.00 0.00 N ATOM 0 H LYS A 19 -0.088 -5.422 0.864 1.00 0.00 H new ATOM 0 HA LYS A 19 2.468 -4.416 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.999 -6.640 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.361 -6.911 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.584 -7.192 -1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.213 -6.896 -2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.492 -9.172 -0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.567 -9.365 -2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.987 -8.659 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.912 -8.469 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.805 -10.637 -0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.325 -10.825 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.398 -11.009 -1.831 1.00 0.00 H new ATOM 305 N THR A 20 0.526 -4.886 -2.400 1.00 0.00 N ATOM 306 CA THR A 20 0.288 -4.529 -3.823 1.00 0.00 C ATOM 307 C THR A 20 0.193 -3.012 -3.899 1.00 0.00 C ATOM 308 O THR A 20 1.014 -2.401 -4.551 1.00 0.00 O ATOM 309 CB THR A 20 -1.017 -5.241 -4.251 1.00 0.00 C ATOM 310 OG1 THR A 20 -0.663 -6.611 -4.371 1.00 0.00 O ATOM 311 CG2 THR A 20 -1.503 -4.852 -5.653 1.00 0.00 C ATOM 0 H THR A 20 -0.198 -5.476 -1.990 1.00 0.00 H new ATOM 0 HA THR A 20 1.084 -4.845 -4.497 1.00 0.00 H new ATOM 0 HB THR A 20 -1.794 -4.990 -3.529 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.450 -7.130 -4.641 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.422 -5.391 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.694 -3.779 -5.687 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.739 -5.108 -6.387 1.00 0.00 H new ATOM 319 N HIS A 21 -0.793 -2.463 -3.243 1.00 0.00 N ATOM 320 CA HIS A 21 -0.998 -0.982 -3.226 1.00 0.00 C ATOM 321 C HIS A 21 0.365 -0.223 -3.241 1.00 0.00 C ATOM 322 O HIS A 21 0.586 0.627 -4.080 1.00 0.00 O ATOM 323 CB HIS A 21 -1.851 -0.689 -1.967 1.00 0.00 C ATOM 324 CG HIS A 21 -1.820 0.798 -1.682 1.00 0.00 C ATOM 325 ND1 HIS A 21 -2.654 1.696 -2.115 1.00 0.00 N ATOM 326 CD2 HIS A 21 -0.892 1.494 -0.934 1.00 0.00 C ATOM 327 CE1 HIS A 21 -2.280 2.863 -1.684 1.00 0.00 C ATOM 328 NE2 HIS A 21 -1.203 2.756 -0.959 1.00 0.00 N ATOM 0 H HIS A 21 -1.482 -2.989 -2.705 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.516 -0.628 -4.117 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -2.878 -1.021 -2.123 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.463 -1.244 -1.113 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -3.470 1.514 -2.699 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -0.049 1.063 -0.415 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.790 3.791 -1.897 1.00 0.00 H new ATOM 336 N ILE A 22 1.246 -0.549 -2.320 1.00 0.00 N ATOM 337 CA ILE A 22 2.584 0.125 -2.258 1.00 0.00 C ATOM 338 C ILE A 22 3.483 -0.241 -3.461 1.00 0.00 C ATOM 339 O ILE A 22 4.039 0.645 -4.082 1.00 0.00 O ATOM 340 CB ILE A 22 3.314 -0.279 -0.919 1.00 0.00 C ATOM 341 CG1 ILE A 22 2.465 0.137 0.316 1.00 0.00 C ATOM 342 CG2 ILE A 22 4.696 0.449 -0.851 1.00 0.00 C ATOM 343 CD1 ILE A 22 2.959 -0.579 1.593 1.00 0.00 C ATOM 0 H ILE A 22 1.092 -1.259 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 22 2.411 1.201 -2.291 1.00 0.00 H new ATOM 0 HB ILE A 22 3.450 -1.360 -0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.523 1.217 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.417 -0.106 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.207 0.175 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.306 0.153 -1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.541 1.528 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.349 -0.271 2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.877 -1.658 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.000 -0.314 1.779 1.00 0.00 H new ATOM 355 N LYS A 23 3.604 -1.513 -3.770 1.00 0.00 N ATOM 356 CA LYS A 23 4.472 -1.916 -4.923 1.00 0.00 C ATOM 357 C LYS A 23 3.925 -1.472 -6.282 1.00 0.00 C ATOM 358 O LYS A 23 4.614 -1.589 -7.277 1.00 0.00 O ATOM 359 CB LYS A 23 4.641 -3.456 -4.887 1.00 0.00 C ATOM 360 CG LYS A 23 5.743 -3.809 -3.867 1.00 0.00 C ATOM 361 CD LYS A 23 5.998 -5.344 -3.803 1.00 0.00 C ATOM 362 CE LYS A 23 4.839 -6.114 -3.135 1.00 0.00 C ATOM 363 NZ LYS A 23 4.600 -5.606 -1.758 1.00 0.00 N ATOM 0 H LYS A 23 3.145 -2.280 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 23 5.432 -1.412 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.701 -3.933 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.907 -3.830 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.667 -3.298 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.455 -3.446 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.148 -5.726 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.919 -5.532 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.933 -6.007 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.074 -7.178 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.315 -6.394 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.473 -5.177 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.845 -4.891 -1.778 1.00 0.00 H new ATOM 377 N THR A 24 2.714 -0.969 -6.310 1.00 0.00 N ATOM 378 CA THR A 24 2.131 -0.518 -7.612 1.00 0.00 C ATOM 379 C THR A 24 1.953 1.010 -7.735 1.00 0.00 C ATOM 380 O THR A 24 2.055 1.541 -8.823 1.00 0.00 O ATOM 381 CB THR A 24 0.780 -1.274 -7.785 1.00 0.00 C ATOM 382 OG1 THR A 24 0.465 -1.049 -9.151 1.00 0.00 O ATOM 383 CG2 THR A 24 -0.389 -0.615 -7.034 1.00 0.00 C ATOM 0 H THR A 24 2.110 -0.852 -5.496 1.00 0.00 H new ATOM 0 HA THR A 24 2.830 -0.758 -8.413 1.00 0.00 H new ATOM 0 HB THR A 24 0.890 -2.301 -7.438 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.382 -1.492 -9.369 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.299 -1.193 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.165 -0.585 -5.968 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.533 0.400 -7.404 1.00 0.00 H new ATOM 391 N LYS A 25 1.703 1.662 -6.628 1.00 0.00 N ATOM 392 CA LYS A 25 1.502 3.151 -6.597 1.00 0.00 C ATOM 393 C LYS A 25 2.684 3.960 -6.039 1.00 0.00 C ATOM 394 O LYS A 25 2.738 5.147 -6.301 1.00 0.00 O ATOM 395 CB LYS A 25 0.276 3.495 -5.730 1.00 0.00 C ATOM 396 CG LYS A 25 -1.058 3.116 -6.402 1.00 0.00 C ATOM 397 CD LYS A 25 -2.163 3.113 -5.317 1.00 0.00 C ATOM 398 CE LYS A 25 -3.554 2.893 -5.926 1.00 0.00 C ATOM 399 NZ LYS A 25 -3.888 3.978 -6.892 1.00 0.00 N ATOM 0 H LYS A 25 1.627 1.214 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 25 1.378 3.430 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.356 2.977 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.278 4.563 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.302 3.828 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.982 2.135 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.956 2.329 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.147 4.060 -4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.586 1.928 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.302 2.863 -5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.915 3.991 -7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.589 4.894 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.394 3.807 -7.791 1.00 0.00 H new ATOM 413 N HIS A 26 3.584 3.353 -5.302 1.00 0.00 N ATOM 414 CA HIS A 26 4.736 4.129 -4.737 1.00 0.00 C ATOM 415 C HIS A 26 6.104 3.725 -5.302 1.00 0.00 C ATOM 416 O HIS A 26 6.894 4.579 -5.658 1.00 0.00 O ATOM 417 CB HIS A 26 4.695 3.939 -3.204 1.00 0.00 C ATOM 418 CG HIS A 26 3.317 4.380 -2.661 1.00 0.00 C ATOM 419 ND1 HIS A 26 2.707 5.481 -2.995 1.00 0.00 N ATOM 420 CD2 HIS A 26 2.449 3.780 -1.749 1.00 0.00 C ATOM 421 CE1 HIS A 26 1.575 5.585 -2.370 1.00 0.00 C ATOM 422 NE2 HIS A 26 1.395 4.553 -1.598 1.00 0.00 N ATOM 0 H HIS A 26 3.572 2.360 -5.068 1.00 0.00 H new ATOM 0 HA HIS A 26 4.624 5.175 -5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.878 2.894 -2.952 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.486 4.524 -2.734 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.069 6.167 -3.657 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.615 2.837 -1.249 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.883 6.408 -2.475 1.00 0.00 H new ATOM 430 N SER A 27 6.336 2.438 -5.370 1.00 0.00 N ATOM 431 CA SER A 27 7.628 1.867 -5.903 1.00 0.00 C ATOM 432 C SER A 27 8.877 2.766 -5.700 1.00 0.00 C ATOM 433 O SER A 27 9.415 3.301 -6.648 1.00 0.00 O ATOM 434 CB SER A 27 7.390 1.570 -7.412 1.00 0.00 C ATOM 435 OG SER A 27 6.357 0.591 -7.384 1.00 0.00 O ATOM 0 H SER A 27 5.665 1.731 -5.070 1.00 0.00 H new ATOM 0 HA SER A 27 7.867 0.969 -5.334 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.085 2.464 -7.956 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.291 1.193 -7.897 1.00 0.00 H new ATOM 0 HG SER A 27 6.127 0.332 -8.301 1.00 0.00 H new ATOM 441 N LYS A 28 9.282 2.879 -4.453 1.00 0.00 N ATOM 442 CA LYS A 28 10.468 3.697 -3.994 1.00 0.00 C ATOM 443 C LYS A 28 11.139 4.650 -5.019 1.00 0.00 C ATOM 444 O LYS A 28 12.323 4.546 -5.270 1.00 0.00 O ATOM 445 CB LYS A 28 11.562 2.708 -3.430 1.00 0.00 C ATOM 446 CG LYS A 28 11.143 2.019 -2.103 1.00 0.00 C ATOM 447 CD LYS A 28 11.061 3.053 -0.937 1.00 0.00 C ATOM 448 CE LYS A 28 10.822 2.334 0.403 1.00 0.00 C ATOM 449 NZ LYS A 28 9.569 1.528 0.338 1.00 0.00 N ATOM 0 H LYS A 28 8.808 2.406 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 28 10.050 4.375 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.770 1.943 -4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.490 3.257 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.176 1.533 -2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.861 1.239 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.985 3.629 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.254 3.761 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.668 1.686 0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.752 3.065 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.983 1.730 1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.042 1.775 -0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.808 0.516 0.319 1.00 0.00 H new ATOM 463 N GLU A 29 10.343 5.534 -5.576 1.00 0.00 N ATOM 464 CA GLU A 29 10.769 6.567 -6.594 1.00 0.00 C ATOM 465 C GLU A 29 10.670 6.077 -8.043 1.00 0.00 C ATOM 466 O GLU A 29 9.848 6.551 -8.800 1.00 0.00 O ATOM 467 CB GLU A 29 12.259 7.045 -6.393 1.00 0.00 C ATOM 468 CG GLU A 29 12.457 7.669 -5.006 1.00 0.00 C ATOM 469 CD GLU A 29 13.955 7.980 -4.828 1.00 0.00 C ATOM 470 OE1 GLU A 29 14.368 8.988 -5.384 1.00 0.00 O ATOM 471 OE2 GLU A 29 14.597 7.189 -4.152 1.00 0.00 O ATOM 0 H GLU A 29 9.349 5.586 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 29 10.070 7.386 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.935 6.199 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.518 7.772 -7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.866 8.580 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.116 6.985 -4.229 1.00 0.00 H new ATOM 478 N LYS A 30 11.518 5.136 -8.371 1.00 0.00 N ATOM 479 CA LYS A 30 11.560 4.551 -9.745 1.00 0.00 C ATOM 480 C LYS A 30 11.368 3.035 -9.662 1.00 0.00 C ATOM 481 O LYS A 30 11.913 2.360 -8.811 1.00 0.00 O ATOM 482 CB LYS A 30 12.933 4.961 -10.341 1.00 0.00 C ATOM 483 CG LYS A 30 13.228 4.351 -11.716 1.00 0.00 C ATOM 484 CD LYS A 30 12.195 4.794 -12.757 1.00 0.00 C ATOM 485 CE LYS A 30 12.637 4.262 -14.124 1.00 0.00 C ATOM 486 NZ LYS A 30 11.544 4.503 -15.110 1.00 0.00 N ATOM 0 H LYS A 30 12.201 4.739 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 30 10.761 4.917 -10.390 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.972 6.047 -10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.720 4.665 -9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.225 4.648 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.228 3.264 -11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.208 4.410 -12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.119 5.881 -12.778 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.552 4.760 -14.445 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.860 3.197 -14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.833 4.146 -16.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.683 4.008 -14.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.353 5.523 -15.174 1.00 0.00 H new TER 500 LYS A 30 HETATM 501 ZN ZN A 31 -0.093 4.263 -0.308 1.00 0.00 ZN