USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 510 hydrogens (2 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 49 THR OG1 : rot -68:sc= 1.26 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=1.3,f=1.2) USER MOD Single : A 1 LYS N :NH3+ -172:sc= 0.76 (180deg=0.719) USER MOD Single : A 1 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.2) USER MOD Single : A 4 TYR OH : rot 150:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.15) USER MOD Single : A 10 THR OG1 : rot -68:sc= 1.29 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= -0.0269 (180deg=-0.15) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -76:sc= 1.25 USER MOD Single : A 34 TYR OH : rot -27:sc= 1.24 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc=-0.00353 X(o=-0.0035,f=-0.48) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 150:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0665 X(o=-0.067,f=-0.3) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00756) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.754 32.213 30.910 1.00 0.00 N ATOM 2 CA LYS A 1 13.038 32.597 31.530 1.00 0.00 C ATOM 3 C LYS A 1 14.045 32.981 30.461 1.00 0.00 C ATOM 4 O LYS A 1 14.265 32.226 29.513 1.00 0.00 O ATOM 5 CB LYS A 1 13.638 31.502 32.427 1.00 0.00 C ATOM 6 CG LYS A 1 14.811 32.060 33.255 1.00 0.00 C ATOM 7 CD LYS A 1 15.441 31.012 34.174 1.00 0.00 C ATOM 8 CE LYS A 1 16.367 31.717 35.170 1.00 0.00 C ATOM 9 NZ LYS A 1 16.767 30.813 36.267 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.036 32.084 31.651 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.447 32.961 30.256 1.00 0.00 H new ATOM 0 H3 LYS A 1 11.874 31.323 30.386 1.00 0.00 H new ATOM 0 HA LYS A 1 12.820 33.451 32.172 1.00 0.00 H new ATOM 0 HB2 LYS A 1 12.870 31.109 33.093 1.00 0.00 H new ATOM 0 HB3 LYS A 1 13.983 30.670 31.813 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.573 32.449 32.580 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.459 32.898 33.856 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.665 30.462 34.706 1.00 0.00 H new ATOM 0 HD3 LYS A 1 16.002 30.285 33.587 1.00 0.00 H new ATOM 0 HE2 LYS A 1 17.255 32.077 34.651 1.00 0.00 H new ATOM 0 HE3 LYS A 1 15.863 32.591 35.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 17.338 31.339 36.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 15.917 30.436 36.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 17.328 30.027 35.882 1.00 0.00 H new ATOM 25 N GLU A 2 14.704 34.122 30.653 1.00 0.00 N ATOM 26 CA GLU A 2 15.684 34.700 29.729 1.00 0.00 C ATOM 27 C GLU A 2 16.936 35.211 30.483 1.00 0.00 C ATOM 28 O GLU A 2 16.826 35.680 31.622 1.00 0.00 O ATOM 29 CB GLU A 2 14.998 35.807 28.906 1.00 0.00 C ATOM 30 CG GLU A 2 13.693 35.385 28.191 1.00 0.00 C ATOM 31 CD GLU A 2 12.406 35.649 28.996 1.00 0.00 C ATOM 32 OE1 GLU A 2 11.761 34.691 29.486 1.00 0.00 O ATOM 33 OE2 GLU A 2 11.981 36.828 29.086 1.00 0.00 O1- ATOM 0 H GLU A 2 14.566 34.693 31.487 1.00 0.00 H new ATOM 0 HA GLU A 2 16.043 33.932 29.044 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.776 36.644 29.568 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.702 36.170 28.157 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.627 35.915 27.241 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.749 34.321 27.959 1.00 0.00 H new ATOM 40 N GLY A 3 18.139 35.090 29.906 1.00 0.00 N ATOM 41 CA GLY A 3 19.396 35.397 30.613 1.00 0.00 C ATOM 42 C GLY A 3 20.680 35.411 29.771 1.00 0.00 C ATOM 43 O GLY A 3 20.665 35.184 28.561 1.00 0.00 O ATOM 0 H GLY A 3 18.271 34.779 28.944 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.290 36.373 31.086 1.00 0.00 H new ATOM 0 HA3 GLY A 3 19.523 34.667 31.413 1.00 0.00 H new ATOM 47 N TYR A 4 21.803 35.702 30.433 1.00 0.00 N ATOM 48 CA TYR A 4 23.135 35.891 29.835 1.00 0.00 C ATOM 49 C TYR A 4 23.782 34.567 29.381 1.00 0.00 C ATOM 50 O TYR A 4 23.904 33.634 30.172 1.00 0.00 O ATOM 51 CB TYR A 4 24.024 36.600 30.876 1.00 0.00 C ATOM 52 CG TYR A 4 25.245 37.327 30.337 1.00 0.00 C ATOM 53 CD1 TYR A 4 25.267 38.735 30.347 1.00 0.00 C ATOM 54 CD2 TYR A 4 26.367 36.624 29.854 1.00 0.00 C ATOM 55 CE1 TYR A 4 26.384 39.437 29.861 1.00 0.00 C ATOM 56 CE2 TYR A 4 27.485 37.326 29.354 1.00 0.00 C ATOM 57 CZ TYR A 4 27.498 38.738 29.358 1.00 0.00 C ATOM 58 OH TYR A 4 28.574 39.425 28.894 1.00 0.00 O ATOM 0 H TYR A 4 21.813 35.818 31.446 1.00 0.00 H new ATOM 0 HA TYR A 4 23.030 36.495 28.934 1.00 0.00 H new ATOM 0 HB2 TYR A 4 23.409 37.319 31.417 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.360 35.858 31.601 1.00 0.00 H new ATOM 0 HD1 TYR A 4 24.418 39.281 30.732 1.00 0.00 H new ATOM 0 HD2 TYR A 4 26.371 35.544 29.866 1.00 0.00 H new ATOM 0 HE1 TYR A 4 26.388 40.517 29.874 1.00 0.00 H new ATOM 0 HE2 TYR A 4 28.333 36.781 28.967 1.00 0.00 H new ATOM 0 HH TYR A 4 29.386 38.894 29.033 1.00 0.00 H new ATOM 68 N LEU A 5 24.252 34.489 28.130 1.00 0.00 N ATOM 69 CA LEU A 5 24.919 33.295 27.594 1.00 0.00 C ATOM 70 C LEU A 5 26.380 33.171 28.078 1.00 0.00 C ATOM 71 O LEU A 5 27.204 34.051 27.813 1.00 0.00 O ATOM 72 CB LEU A 5 24.818 33.326 26.057 1.00 0.00 C ATOM 73 CG LEU A 5 25.259 32.021 25.373 1.00 0.00 C ATOM 74 CD1 LEU A 5 24.309 30.868 25.689 1.00 0.00 C ATOM 75 CD2 LEU A 5 25.283 32.203 23.858 1.00 0.00 C ATOM 0 H LEU A 5 24.180 35.254 27.459 1.00 0.00 H new ATOM 0 HA LEU A 5 24.415 32.405 27.971 1.00 0.00 H new ATOM 0 HB2 LEU A 5 23.787 33.541 25.775 1.00 0.00 H new ATOM 0 HB3 LEU A 5 25.429 34.146 25.680 1.00 0.00 H new ATOM 0 HG LEU A 5 26.253 31.784 25.753 1.00 0.00 H new ATOM 0 HD11 LEU A 5 24.655 29.964 25.188 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.287 30.700 26.766 1.00 0.00 H new ATOM 0 HD13 LEU A 5 23.307 31.116 25.340 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.597 31.273 23.385 1.00 0.00 H new ATOM 0 HD22 LEU A 5 24.286 32.470 23.508 1.00 0.00 H new ATOM 0 HD23 LEU A 5 25.984 32.997 23.598 1.00 0.00 H new ATOM 87 N VAL A 6 26.715 32.060 28.746 1.00 0.00 N ATOM 88 CA VAL A 6 28.009 31.843 29.430 1.00 0.00 C ATOM 89 C VAL A 6 28.479 30.381 29.338 1.00 0.00 C ATOM 90 O VAL A 6 27.665 29.460 29.256 1.00 0.00 O ATOM 91 CB VAL A 6 27.899 32.333 30.896 1.00 0.00 C ATOM 92 CG1 VAL A 6 26.994 31.442 31.757 1.00 0.00 C ATOM 93 CG2 VAL A 6 29.252 32.452 31.608 1.00 0.00 C ATOM 0 H VAL A 6 26.083 31.264 28.832 1.00 0.00 H new ATOM 0 HA VAL A 6 28.776 32.427 28.922 1.00 0.00 H new ATOM 0 HB VAL A 6 27.459 33.325 30.800 1.00 0.00 H new ATOM 0 HG11 VAL A 6 26.956 31.835 32.773 1.00 0.00 H new ATOM 0 HG12 VAL A 6 25.989 31.429 31.335 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.393 30.428 31.775 1.00 0.00 H new ATOM 0 HG21 VAL A 6 29.096 32.800 32.629 1.00 0.00 H new ATOM 0 HG22 VAL A 6 29.740 31.478 31.627 1.00 0.00 H new ATOM 0 HG23 VAL A 6 29.883 33.163 31.074 1.00 0.00 H new ATOM 103 N ASP A 7 29.796 30.142 29.345 1.00 0.00 N ATOM 104 CA ASP A 7 30.357 28.790 29.492 1.00 0.00 C ATOM 105 C ASP A 7 30.288 28.319 30.956 1.00 0.00 C ATOM 106 O ASP A 7 31.028 28.809 31.809 1.00 0.00 O ATOM 107 CB ASP A 7 31.810 28.724 28.984 1.00 0.00 C ATOM 108 CG ASP A 7 32.430 27.326 29.145 1.00 0.00 C ATOM 109 OD1 ASP A 7 33.679 27.202 29.140 1.00 0.00 O ATOM 110 OD2 ASP A 7 31.681 26.340 29.320 1.00 0.00 O1- ATOM 0 H ASP A 7 30.500 30.874 29.250 1.00 0.00 H new ATOM 0 HA ASP A 7 29.751 28.121 28.881 1.00 0.00 H new ATOM 0 HB2 ASP A 7 31.837 29.010 27.933 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.414 29.450 29.528 1.00 0.00 H new ATOM 115 N TYR A 8 29.455 27.321 31.248 1.00 0.00 N ATOM 116 CA TYR A 8 29.345 26.707 32.578 1.00 0.00 C ATOM 117 C TYR A 8 30.658 26.078 33.094 1.00 0.00 C ATOM 118 O TYR A 8 30.874 26.016 34.309 1.00 0.00 O ATOM 119 CB TYR A 8 28.215 25.664 32.541 1.00 0.00 C ATOM 120 CG TYR A 8 28.260 24.672 31.385 1.00 0.00 C ATOM 121 CD1 TYR A 8 29.046 23.507 31.477 1.00 0.00 C ATOM 122 CD2 TYR A 8 27.482 24.903 30.231 1.00 0.00 C ATOM 123 CE1 TYR A 8 29.050 22.573 30.424 1.00 0.00 C ATOM 124 CE2 TYR A 8 27.478 23.967 29.179 1.00 0.00 C ATOM 125 CZ TYR A 8 28.257 22.795 29.279 1.00 0.00 C ATOM 126 OH TYR A 8 28.230 21.867 28.287 1.00 0.00 O ATOM 0 H TYR A 8 28.826 26.907 30.559 1.00 0.00 H new ATOM 0 HA TYR A 8 29.118 27.503 33.288 1.00 0.00 H new ATOM 0 HB2 TYR A 8 28.234 25.104 33.476 1.00 0.00 H new ATOM 0 HB3 TYR A 8 27.262 26.191 32.505 1.00 0.00 H new ATOM 0 HD1 TYR A 8 29.647 23.330 32.357 1.00 0.00 H new ATOM 0 HD2 TYR A 8 26.887 25.801 30.154 1.00 0.00 H new ATOM 0 HE1 TYR A 8 29.661 21.685 30.493 1.00 0.00 H new ATOM 0 HE2 TYR A 8 26.880 24.146 28.298 1.00 0.00 H new ATOM 0 HH TYR A 8 27.635 22.171 27.570 1.00 0.00 H new ATOM 136 N HIS A 9 31.543 25.624 32.196 1.00 0.00 N ATOM 137 CA HIS A 9 32.799 24.954 32.548 1.00 0.00 C ATOM 138 C HIS A 9 33.914 25.949 32.913 1.00 0.00 C ATOM 139 O HIS A 9 34.458 25.844 34.015 1.00 0.00 O ATOM 140 CB HIS A 9 33.198 24.010 31.403 1.00 0.00 C ATOM 141 CG HIS A 9 34.577 23.404 31.501 1.00 0.00 C ATOM 142 ND1 HIS A 9 35.370 23.068 30.399 1.00 0.00 N ATOM 143 CD2 HIS A 9 35.275 23.127 32.640 1.00 0.00 C ATOM 144 CE1 HIS A 9 36.553 22.671 30.902 1.00 0.00 C ATOM 145 NE2 HIS A 9 36.520 22.696 32.245 1.00 0.00 N ATOM 0 H HIS A 9 31.403 25.714 31.190 1.00 0.00 H new ATOM 0 HA HIS A 9 32.645 24.363 33.451 1.00 0.00 H new ATOM 0 HB2 HIS A 9 32.469 23.201 31.354 1.00 0.00 H new ATOM 0 HB3 HIS A 9 33.129 24.559 30.464 1.00 0.00 H new ATOM 0 HD2 HIS A 9 34.919 23.227 33.655 1.00 0.00 H new ATOM 0 HE1 HIS A 9 37.407 22.375 30.311 1.00 0.00 H new ATOM 0 HE2 HIS A 9 37.287 22.439 32.866 1.00 0.00 H new ATOM 153 N THR A 10 34.240 26.913 32.043 1.00 0.00 N ATOM 154 CA THR A 10 35.371 27.856 32.247 1.00 0.00 C ATOM 155 C THR A 10 34.968 29.320 32.492 1.00 0.00 C ATOM 156 O THR A 10 35.824 30.158 32.766 1.00 0.00 O ATOM 157 CB THR A 10 36.405 27.782 31.110 1.00 0.00 C ATOM 158 OG1 THR A 10 35.933 28.390 29.933 1.00 0.00 O ATOM 159 CG2 THR A 10 36.829 26.360 30.753 1.00 0.00 C ATOM 0 H THR A 10 33.732 27.070 31.173 1.00 0.00 H new ATOM 0 HA THR A 10 35.825 27.507 33.175 1.00 0.00 H new ATOM 0 HB THR A 10 37.270 28.317 31.503 1.00 0.00 H new ATOM 0 HG1 THR A 10 35.192 27.863 29.567 1.00 0.00 H new ATOM 0 HG21 THR A 10 37.559 26.390 29.944 1.00 0.00 H new ATOM 0 HG22 THR A 10 37.275 25.883 31.626 1.00 0.00 H new ATOM 0 HG23 THR A 10 35.957 25.790 30.434 1.00 0.00 H new ATOM 167 N GLY A 11 33.673 29.648 32.433 1.00 0.00 N ATOM 168 CA GLY A 11 33.119 30.968 32.750 1.00 0.00 C ATOM 169 C GLY A 11 33.283 32.051 31.681 1.00 0.00 C ATOM 170 O GLY A 11 33.146 33.229 32.018 1.00 0.00 O ATOM 0 H GLY A 11 32.957 28.978 32.153 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.055 30.851 32.957 1.00 0.00 H new ATOM 0 HA3 GLY A 11 33.586 31.322 33.669 1.00 0.00 H new ATOM 174 N CYS A 12 33.575 31.691 30.426 1.00 0.00 N ATOM 175 CA CYS A 12 33.664 32.627 29.297 1.00 0.00 C ATOM 176 C CYS A 12 32.333 33.324 28.967 1.00 0.00 C ATOM 177 O CYS A 12 31.284 32.673 28.941 1.00 0.00 O ATOM 178 CB CYS A 12 34.101 31.886 28.027 1.00 0.00 C ATOM 179 SG CYS A 12 35.695 31.045 28.069 1.00 0.00 S ATOM 0 H CYS A 12 33.760 30.724 30.161 1.00 0.00 H new ATOM 0 HA CYS A 12 34.388 33.381 29.607 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.336 31.148 27.787 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.120 32.604 27.207 1.00 0.00 H new ATOM 184 N LYS A 13 32.389 34.617 28.622 1.00 0.00 N ATOM 185 CA LYS A 13 31.270 35.389 28.046 1.00 0.00 C ATOM 186 C LYS A 13 31.261 35.288 26.514 1.00 0.00 C ATOM 187 O LYS A 13 32.314 35.363 25.876 1.00 0.00 O ATOM 188 CB LYS A 13 31.325 36.859 28.523 1.00 0.00 C ATOM 189 CG LYS A 13 32.719 37.502 28.396 1.00 0.00 C ATOM 190 CD LYS A 13 32.801 38.935 28.919 1.00 0.00 C ATOM 191 CE LYS A 13 32.132 39.951 27.987 1.00 0.00 C ATOM 192 NZ LYS A 13 32.294 41.332 28.493 1.00 0.00 N1+ ATOM 0 H LYS A 13 33.236 35.174 28.737 1.00 0.00 H new ATOM 0 HA LYS A 13 30.334 34.959 28.402 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.611 37.446 27.945 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.007 36.905 29.565 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.440 36.889 28.937 1.00 0.00 H new ATOM 0 HG3 LYS A 13 33.016 37.493 27.347 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.330 38.985 29.901 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.848 39.208 29.053 1.00 0.00 H new ATOM 0 HE2 LYS A 13 32.565 39.874 26.990 1.00 0.00 H new ATOM 0 HE3 LYS A 13 31.071 39.718 27.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 31.831 41.997 27.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 31.859 41.410 29.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 33.306 41.561 28.560 1.00 0.00 H new ATOM 206 N TYR A 14 30.078 35.167 25.906 1.00 0.00 N ATOM 207 CA TYR A 14 29.919 35.137 24.443 1.00 0.00 C ATOM 208 C TYR A 14 29.543 36.516 23.887 1.00 0.00 C ATOM 209 O TYR A 14 28.382 36.931 23.926 1.00 0.00 O ATOM 210 CB TYR A 14 28.947 34.018 24.044 1.00 0.00 C ATOM 211 CG TYR A 14 29.566 32.656 24.292 1.00 0.00 C ATOM 212 CD1 TYR A 14 29.248 31.925 25.454 1.00 0.00 C ATOM 213 CD2 TYR A 14 30.572 32.191 23.421 1.00 0.00 C ATOM 214 CE1 TYR A 14 29.953 30.745 25.755 1.00 0.00 C ATOM 215 CE2 TYR A 14 31.297 31.026 23.736 1.00 0.00 C ATOM 216 CZ TYR A 14 31.000 30.314 24.916 1.00 0.00 C ATOM 217 OH TYR A 14 31.745 29.239 25.268 1.00 0.00 O ATOM 0 H TYR A 14 29.197 35.086 26.414 1.00 0.00 H new ATOM 0 HA TYR A 14 30.877 34.900 23.981 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.023 34.112 24.614 1.00 0.00 H new ATOM 0 HB3 TYR A 14 28.683 34.117 22.991 1.00 0.00 H new ATOM 0 HD1 TYR A 14 28.464 32.270 26.112 1.00 0.00 H new ATOM 0 HD2 TYR A 14 30.787 32.730 22.510 1.00 0.00 H new ATOM 0 HE1 TYR A 14 29.691 30.169 26.630 1.00 0.00 H new ATOM 0 HE2 TYR A 14 32.078 30.679 23.076 1.00 0.00 H new ATOM 0 HH TYR A 14 32.424 29.073 24.581 1.00 0.00 H new ATOM 227 N THR A 15 30.554 37.236 23.394 1.00 0.00 N ATOM 228 CA THR A 15 30.444 38.599 22.842 1.00 0.00 C ATOM 229 C THR A 15 29.778 38.642 21.460 1.00 0.00 C ATOM 230 O THR A 15 29.869 37.691 20.679 1.00 0.00 O ATOM 231 CB THR A 15 31.814 39.305 22.789 1.00 0.00 C ATOM 232 OG1 THR A 15 32.722 38.645 21.923 1.00 0.00 O ATOM 233 CG2 THR A 15 32.475 39.377 24.165 1.00 0.00 C ATOM 0 H THR A 15 31.508 36.877 23.365 1.00 0.00 H new ATOM 0 HA THR A 15 29.794 39.138 23.531 1.00 0.00 H new ATOM 0 HB THR A 15 31.603 40.308 22.418 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.576 39.125 21.917 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.437 39.882 24.080 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.833 39.932 24.849 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.627 38.368 24.549 1.00 0.00 H new ATOM 241 N CYS A 16 29.135 39.766 21.140 1.00 0.00 N ATOM 242 CA CYS A 16 28.504 40.052 19.845 1.00 0.00 C ATOM 243 C CYS A 16 28.579 41.557 19.530 1.00 0.00 C ATOM 244 O CYS A 16 28.586 42.381 20.448 1.00 0.00 O ATOM 245 CB CYS A 16 27.069 39.516 19.853 1.00 0.00 C ATOM 246 SG CYS A 16 26.015 40.259 21.120 1.00 0.00 S ATOM 0 H CYS A 16 29.034 40.536 21.802 1.00 0.00 H new ATOM 0 HA CYS A 16 29.042 39.544 19.044 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.621 39.690 18.874 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.096 38.437 20.004 1.00 0.00 H new ATOM 251 N ALA A 17 28.690 41.923 18.248 1.00 0.00 N ATOM 252 CA ALA A 17 28.965 43.304 17.831 1.00 0.00 C ATOM 253 C ALA A 17 27.707 44.083 17.406 1.00 0.00 C ATOM 254 O ALA A 17 27.501 45.218 17.847 1.00 0.00 O ATOM 255 CB ALA A 17 30.007 43.260 16.712 1.00 0.00 C ATOM 0 H ALA A 17 28.592 41.271 17.470 1.00 0.00 H new ATOM 0 HA ALA A 17 29.349 43.854 18.690 1.00 0.00 H new ATOM 0 HB1 ALA A 17 30.230 44.275 16.383 1.00 0.00 H new ATOM 0 HB2 ALA A 17 30.918 42.790 17.082 1.00 0.00 H new ATOM 0 HB3 ALA A 17 29.616 42.684 15.873 1.00 0.00 H new ATOM 261 N LYS A 18 26.867 43.489 16.550 1.00 0.00 N ATOM 262 CA LYS A 18 25.642 44.121 16.031 1.00 0.00 C ATOM 263 C LYS A 18 24.459 43.862 16.969 1.00 0.00 C ATOM 264 O LYS A 18 24.012 42.723 17.115 1.00 0.00 O ATOM 265 CB LYS A 18 25.401 43.671 14.582 1.00 0.00 C ATOM 266 CG LYS A 18 26.436 44.341 13.661 1.00 0.00 C ATOM 267 CD LYS A 18 26.368 43.845 12.212 1.00 0.00 C ATOM 268 CE LYS A 18 27.368 44.575 11.298 1.00 0.00 C ATOM 269 NZ LYS A 18 28.758 44.527 11.817 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.018 42.546 16.193 1.00 0.00 H new ATOM 0 HA LYS A 18 25.760 45.204 16.005 1.00 0.00 H new ATOM 0 HB2 LYS A 18 25.480 42.586 14.508 1.00 0.00 H new ATOM 0 HB3 LYS A 18 24.392 43.939 14.269 1.00 0.00 H new ATOM 0 HG2 LYS A 18 26.281 45.420 13.676 1.00 0.00 H new ATOM 0 HG3 LYS A 18 27.436 44.157 14.054 1.00 0.00 H new ATOM 0 HD2 LYS A 18 26.571 42.774 12.187 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.358 43.987 11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.340 44.127 10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.061 45.615 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 29.411 44.896 11.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.828 45.107 12.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 29.011 43.544 12.041 1.00 0.00 H new ATOM 283 N LEU A 19 24.001 44.928 17.624 1.00 0.00 N ATOM 284 CA LEU A 19 23.038 44.946 18.730 1.00 0.00 C ATOM 285 C LEU A 19 21.582 44.765 18.262 1.00 0.00 C ATOM 286 O LEU A 19 21.214 45.141 17.146 1.00 0.00 O ATOM 287 CB LEU A 19 23.201 46.269 19.506 1.00 0.00 C ATOM 288 CG LEU A 19 24.593 46.500 20.132 1.00 0.00 C ATOM 289 CD1 LEU A 19 24.701 47.943 20.621 1.00 0.00 C ATOM 290 CD2 LEU A 19 24.859 45.568 21.318 1.00 0.00 C ATOM 0 H LEU A 19 24.313 45.868 17.381 1.00 0.00 H new ATOM 0 HA LEU A 19 23.252 44.096 19.378 1.00 0.00 H new ATOM 0 HB2 LEU A 19 22.983 47.096 18.831 1.00 0.00 H new ATOM 0 HB3 LEU A 19 22.454 46.300 20.300 1.00 0.00 H new ATOM 0 HG LEU A 19 25.331 46.290 19.358 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.684 48.105 21.063 1.00 0.00 H new ATOM 0 HD12 LEU A 19 24.564 48.623 19.780 1.00 0.00 H new ATOM 0 HD13 LEU A 19 23.931 48.132 21.369 1.00 0.00 H new ATOM 0 HD21 LEU A 19 25.850 45.769 21.724 1.00 0.00 H new ATOM 0 HD22 LEU A 19 24.109 45.739 22.090 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.807 44.531 20.985 1.00 0.00 H new ATOM 302 N GLY A 20 20.744 44.167 19.111 1.00 0.00 N ATOM 303 CA GLY A 20 19.341 43.832 18.832 1.00 0.00 C ATOM 304 C GLY A 20 19.138 42.677 17.840 1.00 0.00 C ATOM 305 O GLY A 20 18.118 41.993 17.896 1.00 0.00 O ATOM 0 H GLY A 20 21.033 43.891 20.049 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.850 43.576 19.771 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.841 44.719 18.442 1.00 0.00 H new ATOM 309 N ASP A 21 20.107 42.430 16.956 1.00 0.00 N ATOM 310 CA ASP A 21 20.092 41.372 15.945 1.00 0.00 C ATOM 311 C ASP A 21 20.213 39.962 16.554 1.00 0.00 C ATOM 312 O ASP A 21 20.892 39.749 17.565 1.00 0.00 O ATOM 313 CB ASP A 21 21.209 41.632 14.914 1.00 0.00 C ATOM 314 CG ASP A 21 21.056 42.923 14.095 1.00 0.00 C ATOM 315 OD1 ASP A 21 19.935 43.480 13.995 1.00 0.00 O ATOM 316 OD2 ASP A 21 22.056 43.351 13.476 1.00 0.00 O1- ATOM 0 H ASP A 21 20.961 42.987 16.924 1.00 0.00 H new ATOM 0 HA ASP A 21 19.123 41.400 15.447 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.164 41.664 15.438 1.00 0.00 H new ATOM 0 HB3 ASP A 21 21.251 40.787 14.226 1.00 0.00 H new ATOM 321 N ASN A 22 19.590 38.974 15.905 1.00 0.00 N ATOM 322 CA ASN A 22 19.576 37.564 16.328 1.00 0.00 C ATOM 323 C ASN A 22 20.386 36.625 15.404 1.00 0.00 C ATOM 324 O ASN A 22 20.655 35.482 15.768 1.00 0.00 O ATOM 325 CB ASN A 22 18.111 37.126 16.524 1.00 0.00 C ATOM 326 CG ASN A 22 17.279 37.156 15.255 1.00 0.00 C ATOM 327 OD1 ASN A 22 17.392 36.295 14.392 1.00 0.00 O ATOM 328 ND2 ASN A 22 16.424 38.137 15.096 1.00 0.00 N ATOM 0 H ASN A 22 19.065 39.134 15.045 1.00 0.00 H new ATOM 0 HA ASN A 22 20.100 37.480 17.280 1.00 0.00 H new ATOM 0 HB2 ASN A 22 18.097 36.115 16.931 1.00 0.00 H new ATOM 0 HB3 ASN A 22 17.645 37.775 17.266 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.852 38.183 14.253 1.00 0.00 H new ATOM 0 HD22 ASN A 22 16.331 38.854 15.816 1.00 0.00 H new ATOM 335 N ASP A 23 20.818 37.114 14.235 1.00 0.00 N ATOM 336 CA ASP A 23 21.471 36.334 13.170 1.00 0.00 C ATOM 337 C ASP A 23 22.715 35.536 13.618 1.00 0.00 C ATOM 338 O ASP A 23 22.940 34.435 13.111 1.00 0.00 O ATOM 339 CB ASP A 23 21.814 37.322 12.039 1.00 0.00 C ATOM 340 CG ASP A 23 22.347 36.696 10.745 1.00 0.00 C ATOM 341 OD1 ASP A 23 21.711 35.749 10.220 1.00 0.00 O ATOM 342 OD2 ASP A 23 23.377 37.191 10.225 1.00 0.00 O1- ATOM 0 H ASP A 23 20.720 38.100 13.993 1.00 0.00 H new ATOM 0 HA ASP A 23 20.779 35.560 12.840 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.919 37.897 11.800 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.556 38.028 12.411 1.00 0.00 H new ATOM 347 N TYR A 24 23.488 36.042 14.588 1.00 0.00 N ATOM 348 CA TYR A 24 24.685 35.387 15.139 1.00 0.00 C ATOM 349 C TYR A 24 24.408 34.594 16.432 1.00 0.00 C ATOM 350 O TYR A 24 24.975 33.513 16.614 1.00 0.00 O ATOM 351 CB TYR A 24 25.764 36.465 15.353 1.00 0.00 C ATOM 352 CG TYR A 24 27.010 36.034 16.114 1.00 0.00 C ATOM 353 CD1 TYR A 24 27.080 36.232 17.507 1.00 0.00 C ATOM 354 CD2 TYR A 24 28.115 35.480 15.437 1.00 0.00 C ATOM 355 CE1 TYR A 24 28.238 35.867 18.221 1.00 0.00 C ATOM 356 CE2 TYR A 24 29.280 35.121 16.147 1.00 0.00 C ATOM 357 CZ TYR A 24 29.345 35.311 17.546 1.00 0.00 C ATOM 358 OH TYR A 24 30.464 34.988 18.251 1.00 0.00 O ATOM 0 H TYR A 24 23.294 36.943 15.024 1.00 0.00 H new ATOM 0 HA TYR A 24 25.031 34.640 14.425 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.072 36.838 14.376 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.311 37.301 15.885 1.00 0.00 H new ATOM 0 HD1 TYR A 24 26.241 36.666 18.030 1.00 0.00 H new ATOM 0 HD2 TYR A 24 28.070 35.329 14.369 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.279 36.013 19.290 1.00 0.00 H new ATOM 0 HE2 TYR A 24 30.124 34.700 15.620 1.00 0.00 H new ATOM 0 HH TYR A 24 31.137 34.615 17.644 1.00 0.00 H new ATOM 368 N CYS A 25 23.565 35.116 17.330 1.00 0.00 N ATOM 369 CA CYS A 25 23.381 34.568 18.680 1.00 0.00 C ATOM 370 C CYS A 25 22.460 33.339 18.787 1.00 0.00 C ATOM 371 O CYS A 25 22.603 32.587 19.755 1.00 0.00 O ATOM 372 CB CYS A 25 22.870 35.674 19.614 1.00 0.00 C ATOM 373 SG CYS A 25 24.094 36.932 20.072 1.00 0.00 S ATOM 0 H CYS A 25 22.988 35.935 17.140 1.00 0.00 H new ATOM 0 HA CYS A 25 24.366 34.207 18.975 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.026 36.170 19.134 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.492 35.211 20.525 1.00 0.00 H new ATOM 378 N VAL A 26 21.531 33.100 17.849 1.00 0.00 N ATOM 379 CA VAL A 26 20.605 31.946 17.928 1.00 0.00 C ATOM 380 C VAL A 26 21.371 30.618 17.920 1.00 0.00 C ATOM 381 O VAL A 26 21.112 29.764 18.772 1.00 0.00 O ATOM 382 CB VAL A 26 19.530 31.991 16.819 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.675 30.719 16.747 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.561 33.149 17.059 1.00 0.00 C ATOM 0 H VAL A 26 21.396 33.686 17.025 1.00 0.00 H new ATOM 0 HA VAL A 26 20.079 32.017 18.880 1.00 0.00 H new ATOM 0 HB VAL A 26 20.087 32.104 15.889 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.941 30.819 15.947 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.316 29.861 16.546 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.160 30.573 17.696 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.811 33.165 16.268 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.069 33.018 18.023 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.111 34.090 17.057 1.00 0.00 H new ATOM 394 N ARG A 27 22.374 30.469 17.042 1.00 0.00 N ATOM 395 CA ARG A 27 23.267 29.304 17.018 1.00 0.00 C ATOM 396 C ARG A 27 24.004 29.114 18.340 1.00 0.00 C ATOM 397 O ARG A 27 23.983 28.019 18.881 1.00 0.00 O ATOM 398 CB ARG A 27 24.294 29.438 15.892 1.00 0.00 C ATOM 399 CG ARG A 27 23.747 29.096 14.499 1.00 0.00 C ATOM 400 CD ARG A 27 24.884 29.119 13.469 1.00 0.00 C ATOM 401 NE ARG A 27 25.519 30.445 13.391 1.00 0.00 N ATOM 402 CZ ARG A 27 25.186 31.453 12.609 1.00 0.00 C ATOM 403 NH1 ARG A 27 24.272 31.352 11.686 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 25.789 32.590 12.775 1.00 0.00 N ATOM 0 H ARG A 27 22.589 31.160 16.323 1.00 0.00 H new ATOM 0 HA ARG A 27 22.637 28.431 16.848 1.00 0.00 H new ATOM 0 HB2 ARG A 27 24.673 30.460 15.881 1.00 0.00 H new ATOM 0 HB3 ARG A 27 25.141 28.786 16.108 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.279 28.112 14.515 1.00 0.00 H new ATOM 0 HG3 ARG A 27 22.975 29.812 14.217 1.00 0.00 H new ATOM 0 HD2 ARG A 27 25.632 28.372 13.735 1.00 0.00 H new ATOM 0 HD3 ARG A 27 24.494 28.844 12.489 1.00 0.00 H new ATOM 0 HE ARG A 27 26.310 30.602 14.016 1.00 0.00 H new ATOM 0 HH11 ARG A 27 23.783 30.468 11.547 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.045 32.157 11.103 1.00 0.00 H new ATOM 0 HH21 ARG A 27 26.502 32.688 13.497 1.00 0.00 H new ATOM 0 HH22 ARG A 27 25.550 33.385 12.183 1.00 0.00 H new ATOM 418 N GLU A 28 24.630 30.156 18.886 1.00 0.00 N ATOM 419 CA GLU A 28 25.399 30.036 20.136 1.00 0.00 C ATOM 420 C GLU A 28 24.506 29.618 21.315 1.00 0.00 C ATOM 421 O GLU A 28 24.848 28.710 22.066 1.00 0.00 O ATOM 422 CB GLU A 28 26.107 31.362 20.459 1.00 0.00 C ATOM 423 CG GLU A 28 26.976 31.935 19.332 1.00 0.00 C ATOM 424 CD GLU A 28 27.942 30.919 18.710 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.583 30.126 19.442 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.090 30.918 17.464 1.00 0.00 O1- ATOM 0 H GLU A 28 24.623 31.095 18.487 1.00 0.00 H new ATOM 0 HA GLU A 28 26.145 29.256 19.987 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.352 32.102 20.725 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.733 31.215 21.339 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.326 32.328 18.550 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.550 32.775 19.722 1.00 0.00 H new ATOM 433 N CYS A 29 23.319 30.221 21.432 1.00 0.00 N ATOM 434 CA CYS A 29 22.315 29.890 22.444 1.00 0.00 C ATOM 435 C CYS A 29 21.851 28.422 22.334 1.00 0.00 C ATOM 436 O CYS A 29 21.831 27.696 23.334 1.00 0.00 O ATOM 437 CB CYS A 29 21.193 30.930 22.279 1.00 0.00 C ATOM 438 SG CYS A 29 19.635 30.717 23.178 1.00 0.00 S ATOM 0 H CYS A 29 23.024 30.972 20.808 1.00 0.00 H new ATOM 0 HA CYS A 29 22.715 29.947 23.456 1.00 0.00 H new ATOM 0 HB2 CYS A 29 21.603 31.899 22.562 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.952 30.984 21.217 1.00 0.00 H new ATOM 443 N ARG A 30 21.556 27.943 21.115 1.00 0.00 N ATOM 444 CA ARG A 30 21.083 26.566 20.875 1.00 0.00 C ATOM 445 C ARG A 30 22.184 25.492 20.876 1.00 0.00 C ATOM 446 O ARG A 30 21.897 24.319 21.120 1.00 0.00 O ATOM 447 CB ARG A 30 20.183 26.557 19.625 1.00 0.00 C ATOM 448 CG ARG A 30 20.924 26.324 18.299 1.00 0.00 C ATOM 449 CD ARG A 30 20.117 26.781 17.078 1.00 0.00 C ATOM 450 NE ARG A 30 18.798 26.136 17.008 1.00 0.00 N ATOM 451 CZ ARG A 30 17.928 26.217 16.025 1.00 0.00 C ATOM 452 NH1 ARG A 30 18.129 26.900 14.940 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 16.797 25.597 16.116 1.00 0.00 N ATOM 0 H ARG A 30 21.638 28.500 20.264 1.00 0.00 H new ATOM 0 HA ARG A 30 20.484 26.263 21.734 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.428 25.780 19.744 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.655 27.509 19.568 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.874 26.857 18.321 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.156 25.264 18.199 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.989 27.863 17.114 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.677 26.557 16.170 1.00 0.00 H new ATOM 0 HE ARG A 30 18.528 25.564 17.808 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.002 27.413 14.815 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.414 26.924 14.213 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.582 25.048 16.948 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.120 25.657 15.356 1.00 0.00 H new ATOM 467 N LEU A 31 23.443 25.878 20.643 1.00 0.00 N ATOM 468 CA LEU A 31 24.621 25.006 20.769 1.00 0.00 C ATOM 469 C LEU A 31 25.094 24.879 22.223 1.00 0.00 C ATOM 470 O LEU A 31 25.472 23.785 22.642 1.00 0.00 O ATOM 471 CB LEU A 31 25.767 25.530 19.880 1.00 0.00 C ATOM 472 CG LEU A 31 25.539 25.323 18.371 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.530 26.154 17.556 1.00 0.00 C ATOM 474 CD2 LEU A 31 25.711 23.861 17.961 1.00 0.00 C ATOM 0 H LEU A 31 23.679 26.827 20.355 1.00 0.00 H new ATOM 0 HA LEU A 31 24.328 24.011 20.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.904 26.594 20.073 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.693 25.032 20.168 1.00 0.00 H new ATOM 0 HG LEU A 31 24.515 25.637 18.170 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.352 25.993 16.493 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.398 27.210 17.790 1.00 0.00 H new ATOM 0 HD13 LEU A 31 27.548 25.852 17.803 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.541 23.761 16.889 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.722 23.533 18.200 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.992 23.245 18.501 1.00 0.00 H new ATOM 486 N ARG A 32 25.050 25.960 23.017 1.00 0.00 N ATOM 487 CA ARG A 32 25.463 25.928 24.430 1.00 0.00 C ATOM 488 C ARG A 32 24.488 25.131 25.297 1.00 0.00 C ATOM 489 O ARG A 32 24.941 24.353 26.136 1.00 0.00 O ATOM 490 CB ARG A 32 25.624 27.367 24.952 1.00 0.00 C ATOM 491 CG ARG A 32 26.432 27.511 26.257 1.00 0.00 C ATOM 492 CD ARG A 32 27.861 26.946 26.194 1.00 0.00 C ATOM 493 NE ARG A 32 28.596 27.411 25.003 1.00 0.00 N ATOM 494 CZ ARG A 32 29.717 26.909 24.519 1.00 0.00 C ATOM 495 NH1 ARG A 32 30.420 26.006 25.139 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 30.138 27.317 23.364 1.00 0.00 N ATOM 0 H ARG A 32 24.730 26.875 22.701 1.00 0.00 H new ATOM 0 HA ARG A 32 26.422 25.415 24.493 1.00 0.00 H new ATOM 0 HB2 ARG A 32 26.106 27.964 24.178 1.00 0.00 H new ATOM 0 HB3 ARG A 32 24.632 27.791 25.110 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.485 28.567 26.521 1.00 0.00 H new ATOM 0 HG3 ARG A 32 25.892 27.009 27.060 1.00 0.00 H new ATOM 0 HD2 ARG A 32 28.405 27.240 27.091 1.00 0.00 H new ATOM 0 HD3 ARG A 32 27.819 25.857 26.189 1.00 0.00 H new ATOM 0 HE ARG A 32 28.196 28.204 24.501 1.00 0.00 H new ATOM 0 HH11 ARG A 32 30.111 25.652 26.045 1.00 0.00 H new ATOM 0 HH12 ARG A 32 31.280 25.652 24.719 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.606 28.015 22.844 1.00 0.00 H new ATOM 0 HH22 ARG A 32 31.002 26.940 22.974 1.00 0.00 H new ATOM 510 N TYR A 33 23.179 25.322 25.100 1.00 0.00 N ATOM 511 CA TYR A 33 22.126 24.721 25.930 1.00 0.00 C ATOM 512 C TYR A 33 21.382 23.575 25.221 1.00 0.00 C ATOM 513 O TYR A 33 21.728 22.410 25.423 1.00 0.00 O ATOM 514 CB TYR A 33 21.184 25.815 26.469 1.00 0.00 C ATOM 515 CG TYR A 33 21.809 26.964 27.249 1.00 0.00 C ATOM 516 CD1 TYR A 33 23.044 26.841 27.925 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.104 28.180 27.305 1.00 0.00 C ATOM 518 CE1 TYR A 33 23.585 27.941 28.621 1.00 0.00 C ATOM 519 CE2 TYR A 33 21.652 29.285 27.990 1.00 0.00 C ATOM 520 CZ TYR A 33 22.895 29.170 28.644 1.00 0.00 C ATOM 521 OH TYR A 33 23.423 30.239 29.292 1.00 0.00 O ATOM 0 H TYR A 33 22.814 25.907 24.348 1.00 0.00 H new ATOM 0 HA TYR A 33 22.605 24.246 26.786 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.643 26.239 25.623 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.446 25.335 27.112 1.00 0.00 H new ATOM 0 HD1 TYR A 33 23.575 25.901 27.908 1.00 0.00 H new ATOM 0 HD2 TYR A 33 20.142 28.268 26.823 1.00 0.00 H new ATOM 0 HE1 TYR A 33 24.529 27.842 29.137 1.00 0.00 H new ATOM 0 HE2 TYR A 33 21.117 30.223 28.013 1.00 0.00 H new ATOM 0 HH TYR A 33 23.313 30.122 30.259 1.00 0.00 H new ATOM 531 N TYR A 34 20.380 23.873 24.387 1.00 0.00 N ATOM 532 CA TYR A 34 19.532 22.883 23.706 1.00 0.00 C ATOM 533 C TYR A 34 19.027 23.428 22.362 1.00 0.00 C ATOM 534 O TYR A 34 18.813 24.632 22.220 1.00 0.00 O ATOM 535 CB TYR A 34 18.399 22.416 24.643 1.00 0.00 C ATOM 536 CG TYR A 34 17.217 23.351 24.844 1.00 0.00 C ATOM 537 CD1 TYR A 34 17.373 24.565 25.545 1.00 0.00 C ATOM 538 CD2 TYR A 34 15.936 22.962 24.403 1.00 0.00 C ATOM 539 CE1 TYR A 34 16.266 25.403 25.790 1.00 0.00 C ATOM 540 CE2 TYR A 34 14.821 23.779 24.671 1.00 0.00 C ATOM 541 CZ TYR A 34 14.979 25.002 25.355 1.00 0.00 C ATOM 542 OH TYR A 34 13.873 25.750 25.606 1.00 0.00 O ATOM 0 H TYR A 34 20.128 24.835 24.159 1.00 0.00 H new ATOM 0 HA TYR A 34 20.125 22.000 23.468 1.00 0.00 H new ATOM 0 HB2 TYR A 34 18.017 21.470 24.261 1.00 0.00 H new ATOM 0 HB3 TYR A 34 18.835 22.212 25.621 1.00 0.00 H new ATOM 0 HD1 TYR A 34 18.351 24.856 25.898 1.00 0.00 H new ATOM 0 HD2 TYR A 34 15.810 22.037 23.860 1.00 0.00 H new ATOM 0 HE1 TYR A 34 16.398 26.343 26.305 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.838 23.467 24.351 1.00 0.00 H new ATOM 0 HH TYR A 34 14.016 26.284 26.415 1.00 0.00 H new ATOM 552 N GLN A 35 18.822 22.566 21.363 1.00 0.00 N ATOM 553 CA GLN A 35 18.598 22.931 19.974 1.00 0.00 C ATOM 554 C GLN A 35 17.315 23.748 19.716 1.00 0.00 C ATOM 555 O GLN A 35 17.254 24.482 18.731 1.00 0.00 O ATOM 556 CB GLN A 35 18.670 21.587 19.241 1.00 0.00 C ATOM 557 CG GLN A 35 18.229 21.573 17.788 1.00 0.00 C ATOM 558 CD GLN A 35 19.137 22.333 16.821 1.00 0.00 C ATOM 559 OE1 GLN A 35 20.205 22.830 17.159 1.00 0.00 O ATOM 560 NE2 GLN A 35 18.761 22.427 15.568 1.00 0.00 N ATOM 0 H GLN A 35 18.808 21.557 21.512 1.00 0.00 H new ATOM 0 HA GLN A 35 19.343 23.638 19.608 1.00 0.00 H new ATOM 0 HB2 GLN A 35 19.699 21.230 19.287 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.059 20.869 19.788 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.160 20.537 17.457 1.00 0.00 H new ATOM 0 HG3 GLN A 35 17.226 21.995 17.726 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.875 22.019 15.269 1.00 0.00 H new ATOM 0 HE22 GLN A 35 19.355 22.908 14.892 1.00 0.00 H new ATOM 569 N SER A 36 16.320 23.680 20.603 1.00 0.00 N ATOM 570 CA SER A 36 15.093 24.491 20.563 1.00 0.00 C ATOM 571 C SER A 36 15.202 25.851 21.282 1.00 0.00 C ATOM 572 O SER A 36 14.189 26.534 21.443 1.00 0.00 O ATOM 573 CB SER A 36 13.929 23.677 21.134 1.00 0.00 C ATOM 574 OG SER A 36 13.731 22.482 20.398 1.00 0.00 O ATOM 0 H SER A 36 16.343 23.039 21.396 1.00 0.00 H new ATOM 0 HA SER A 36 14.918 24.734 19.515 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.128 23.436 22.178 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.018 24.275 21.113 1.00 0.00 H new ATOM 0 HG SER A 36 12.983 21.980 20.784 1.00 0.00 H new ATOM 580 N ALA A 37 16.387 26.259 21.751 1.00 0.00 N ATOM 581 CA ALA A 37 16.589 27.592 22.337 1.00 0.00 C ATOM 582 C ALA A 37 16.575 28.721 21.277 1.00 0.00 C ATOM 583 O ALA A 37 16.676 28.470 20.074 1.00 0.00 O ATOM 584 CB ALA A 37 17.885 27.585 23.155 1.00 0.00 C ATOM 0 H ALA A 37 17.227 25.681 21.736 1.00 0.00 H new ATOM 0 HA ALA A 37 15.749 27.811 22.997 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.044 28.570 23.594 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.810 26.842 23.949 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.724 27.338 22.505 1.00 0.00 H new ATOM 590 N HIS A 38 16.468 29.983 21.713 1.00 0.00 N ATOM 591 CA HIS A 38 16.507 31.180 20.848 1.00 0.00 C ATOM 592 C HIS A 38 17.110 32.383 21.589 1.00 0.00 C ATOM 593 O HIS A 38 16.948 32.479 22.805 1.00 0.00 O ATOM 594 CB HIS A 38 15.089 31.487 20.338 1.00 0.00 C ATOM 595 CG HIS A 38 15.055 32.596 19.317 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.079 33.964 19.598 1.00 0.00 N ATOM 597 CD2 HIS A 38 15.111 32.423 17.966 1.00 0.00 C ATOM 598 CE1 HIS A 38 15.153 34.585 18.407 1.00 0.00 C ATOM 599 NE2 HIS A 38 15.162 33.681 17.415 1.00 0.00 N ATOM 0 H HIS A 38 16.349 30.210 22.700 1.00 0.00 H new ATOM 0 HA HIS A 38 17.153 30.980 19.993 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.664 30.584 19.899 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.456 31.759 21.183 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.115 31.483 17.434 1.00 0.00 H new ATOM 0 HE1 HIS A 38 15.199 35.655 18.269 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.200 33.892 16.418 1.00 0.00 H new ATOM 607 N GLY A 39 17.796 33.304 20.903 1.00 0.00 N ATOM 608 CA GLY A 39 18.474 34.437 21.542 1.00 0.00 C ATOM 609 C GLY A 39 18.881 35.568 20.592 1.00 0.00 C ATOM 610 O GLY A 39 18.793 35.427 19.375 1.00 0.00 O ATOM 0 H GLY A 39 17.897 33.285 19.888 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.819 34.847 22.311 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.367 34.069 22.048 1.00 0.00 H new ATOM 614 N TYR A 40 19.346 36.689 21.150 1.00 0.00 N ATOM 615 CA TYR A 40 19.760 37.892 20.406 1.00 0.00 C ATOM 616 C TYR A 40 20.893 38.661 21.104 1.00 0.00 C ATOM 617 O TYR A 40 21.278 38.342 22.226 1.00 0.00 O ATOM 618 CB TYR A 40 18.550 38.801 20.133 1.00 0.00 C ATOM 619 CG TYR A 40 18.063 39.637 21.307 1.00 0.00 C ATOM 620 CD1 TYR A 40 17.200 39.097 22.283 1.00 0.00 C ATOM 621 CD2 TYR A 40 18.472 40.980 21.407 1.00 0.00 C ATOM 622 CE1 TYR A 40 16.764 39.896 23.362 1.00 0.00 C ATOM 623 CE2 TYR A 40 18.043 41.778 22.481 1.00 0.00 C ATOM 624 CZ TYR A 40 17.195 41.237 23.468 1.00 0.00 C ATOM 625 OH TYR A 40 16.775 42.033 24.486 1.00 0.00 O ATOM 0 H TYR A 40 19.450 36.792 22.159 1.00 0.00 H new ATOM 0 HA TYR A 40 20.164 37.556 19.451 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.804 39.474 19.314 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.724 38.179 19.789 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.872 38.071 22.205 1.00 0.00 H new ATOM 0 HD2 TYR A 40 19.120 41.400 20.653 1.00 0.00 H new ATOM 0 HE1 TYR A 40 16.101 39.482 24.107 1.00 0.00 H new ATOM 0 HE2 TYR A 40 18.363 42.807 22.550 1.00 0.00 H new ATOM 0 HH TYR A 40 17.177 42.922 24.394 1.00 0.00 H new ATOM 635 N CYS A 41 21.460 39.658 20.425 1.00 0.00 N ATOM 636 CA CYS A 41 22.593 40.444 20.928 1.00 0.00 C ATOM 637 C CYS A 41 22.167 41.650 21.796 1.00 0.00 C ATOM 638 O CYS A 41 21.436 42.520 21.319 1.00 0.00 O ATOM 639 CB CYS A 41 23.447 40.879 19.730 1.00 0.00 C ATOM 640 SG CYS A 41 24.980 41.730 20.182 1.00 0.00 S ATOM 0 H CYS A 41 21.144 39.948 19.500 1.00 0.00 H new ATOM 0 HA CYS A 41 23.178 39.814 21.598 1.00 0.00 H new ATOM 0 HB2 CYS A 41 23.694 39.999 19.136 1.00 0.00 H new ATOM 0 HB3 CYS A 41 22.853 41.536 19.094 1.00 0.00 H new ATOM 645 N TYR A 42 22.661 41.747 23.037 1.00 0.00 N ATOM 646 CA TYR A 42 22.335 42.811 24.003 1.00 0.00 C ATOM 647 C TYR A 42 23.539 43.149 24.906 1.00 0.00 C ATOM 648 O TYR A 42 24.185 42.257 25.458 1.00 0.00 O ATOM 649 CB TYR A 42 21.114 42.370 24.830 1.00 0.00 C ATOM 650 CG TYR A 42 20.733 43.304 25.965 1.00 0.00 C ATOM 651 CD1 TYR A 42 21.224 43.061 27.262 1.00 0.00 C ATOM 652 CD2 TYR A 42 19.892 44.411 25.732 1.00 0.00 C ATOM 653 CE1 TYR A 42 20.909 43.935 28.318 1.00 0.00 C ATOM 654 CE2 TYR A 42 19.554 45.278 26.791 1.00 0.00 C ATOM 655 CZ TYR A 42 20.074 45.046 28.084 1.00 0.00 C ATOM 656 OH TYR A 42 19.795 45.900 29.103 1.00 0.00 O ATOM 0 H TYR A 42 23.321 41.065 23.411 1.00 0.00 H new ATOM 0 HA TYR A 42 22.093 43.726 23.462 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.259 42.269 24.161 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.313 41.382 25.245 1.00 0.00 H new ATOM 0 HD1 TYR A 42 21.846 42.198 27.447 1.00 0.00 H new ATOM 0 HD2 TYR A 42 19.506 44.595 24.740 1.00 0.00 H new ATOM 0 HE1 TYR A 42 21.306 43.755 29.306 1.00 0.00 H new ATOM 0 HE2 TYR A 42 18.899 46.118 26.614 1.00 0.00 H new ATOM 0 HH TYR A 42 19.207 46.614 28.780 1.00 0.00 H new ATOM 666 N ALA A 43 23.862 44.439 25.060 1.00 0.00 N ATOM 667 CA ALA A 43 25.032 44.936 25.803 1.00 0.00 C ATOM 668 C ALA A 43 26.348 44.231 25.390 1.00 0.00 C ATOM 669 O ALA A 43 27.117 43.752 26.228 1.00 0.00 O ATOM 670 CB ALA A 43 24.737 44.917 27.312 1.00 0.00 C ATOM 0 H ALA A 43 23.301 45.191 24.660 1.00 0.00 H new ATOM 0 HA ALA A 43 25.209 45.977 25.531 1.00 0.00 H new ATOM 0 HB1 ALA A 43 25.606 45.286 27.857 1.00 0.00 H new ATOM 0 HB2 ALA A 43 23.879 45.555 27.523 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.517 43.897 27.627 1.00 0.00 H new ATOM 676 N PHE A 44 26.562 44.105 24.073 1.00 0.00 N ATOM 677 CA PHE A 44 27.691 43.409 23.432 1.00 0.00 C ATOM 678 C PHE A 44 27.901 41.938 23.860 1.00 0.00 C ATOM 679 O PHE A 44 29.024 41.429 23.808 1.00 0.00 O ATOM 680 CB PHE A 44 28.976 44.257 23.510 1.00 0.00 C ATOM 681 CG PHE A 44 28.866 45.645 22.907 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.781 45.803 21.510 1.00 0.00 C ATOM 683 CD2 PHE A 44 28.865 46.783 23.734 1.00 0.00 C ATOM 684 CE1 PHE A 44 28.684 47.087 20.946 1.00 0.00 C ATOM 685 CE2 PHE A 44 28.793 48.068 23.168 1.00 0.00 C ATOM 686 CZ PHE A 44 28.686 48.223 21.775 1.00 0.00 C ATOM 0 H PHE A 44 25.920 44.506 23.389 1.00 0.00 H new ATOM 0 HA PHE A 44 27.412 43.311 22.383 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.267 44.354 24.556 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.779 43.720 23.005 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.790 44.934 20.869 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.920 46.669 24.807 1.00 0.00 H new ATOM 0 HE1 PHE A 44 28.608 47.201 19.875 1.00 0.00 H new ATOM 0 HE2 PHE A 44 28.820 48.939 23.806 1.00 0.00 H new ATOM 0 HZ PHE A 44 28.606 49.210 21.343 1.00 0.00 H new ATOM 696 N ALA A 45 26.847 41.232 24.280 1.00 0.00 N ATOM 697 CA ALA A 45 26.863 39.786 24.524 1.00 0.00 C ATOM 698 C ALA A 45 25.534 39.118 24.132 1.00 0.00 C ATOM 699 O ALA A 45 24.496 39.771 24.036 1.00 0.00 O ATOM 700 CB ALA A 45 27.217 39.521 25.989 1.00 0.00 C ATOM 0 H ALA A 45 25.939 41.659 24.464 1.00 0.00 H new ATOM 0 HA ALA A 45 27.626 39.337 23.888 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.229 38.446 26.172 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.201 39.937 26.207 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.474 39.990 26.634 1.00 0.00 H new ATOM 706 N CYS A 46 25.557 37.811 23.873 1.00 0.00 N ATOM 707 CA CYS A 46 24.334 37.082 23.545 1.00 0.00 C ATOM 708 C CYS A 46 23.442 36.885 24.785 1.00 0.00 C ATOM 709 O CYS A 46 23.890 36.436 25.846 1.00 0.00 O ATOM 710 CB CYS A 46 24.669 35.759 22.849 1.00 0.00 C ATOM 711 SG CYS A 46 25.460 35.934 21.222 1.00 0.00 S ATOM 0 H CYS A 46 26.402 37.240 23.884 1.00 0.00 H new ATOM 0 HA CYS A 46 23.753 37.682 22.844 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.327 35.180 23.497 1.00 0.00 H new ATOM 0 HB3 CYS A 46 23.751 35.184 22.731 1.00 0.00 H new ATOM 716 N TRP A 47 22.163 37.212 24.632 1.00 0.00 N ATOM 717 CA TRP A 47 21.059 36.947 25.554 1.00 0.00 C ATOM 718 C TRP A 47 20.248 35.760 25.013 1.00 0.00 C ATOM 719 O TRP A 47 19.999 35.687 23.810 1.00 0.00 O ATOM 720 CB TRP A 47 20.225 38.228 25.650 1.00 0.00 C ATOM 721 CG TRP A 47 19.137 38.255 26.677 1.00 0.00 C ATOM 722 CD1 TRP A 47 17.817 38.096 26.427 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.243 38.519 28.111 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.100 38.275 27.593 1.00 0.00 N ATOM 725 CE2 TRP A 47 17.927 38.540 28.664 1.00 0.00 C ATOM 726 CE3 TRP A 47 20.315 38.781 28.994 1.00 0.00 C ATOM 727 CZ2 TRP A 47 17.682 38.816 30.017 1.00 0.00 C ATOM 728 CZ3 TRP A 47 20.081 39.050 30.357 1.00 0.00 C ATOM 729 CH2 TRP A 47 18.770 39.073 30.868 1.00 0.00 C ATOM 0 H TRP A 47 21.845 37.706 23.798 1.00 0.00 H new ATOM 0 HA TRP A 47 21.404 36.681 26.553 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.902 39.058 25.851 1.00 0.00 H new ATOM 0 HB3 TRP A 47 19.775 38.413 24.675 1.00 0.00 H new ATOM 0 HD1 TRP A 47 17.390 37.864 25.463 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.083 38.218 27.655 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.328 38.775 28.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 16.672 38.831 30.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.915 39.240 31.016 1.00 0.00 H new ATOM 0 HH2 TRP A 47 18.600 39.288 31.913 1.00 0.00 H new ATOM 740 N CYS A 48 19.861 34.813 25.865 1.00 0.00 N ATOM 741 CA CYS A 48 19.280 33.522 25.476 1.00 0.00 C ATOM 742 C CYS A 48 17.971 33.255 26.245 1.00 0.00 C ATOM 743 O CYS A 48 17.825 33.651 27.402 1.00 0.00 O ATOM 744 CB CYS A 48 20.382 32.464 25.642 1.00 0.00 C ATOM 745 SG CYS A 48 20.041 30.744 25.173 1.00 0.00 S ATOM 0 H CYS A 48 19.944 34.922 26.876 1.00 0.00 H new ATOM 0 HA CYS A 48 18.965 33.501 24.433 1.00 0.00 H new ATOM 0 HB2 CYS A 48 21.244 32.796 25.064 1.00 0.00 H new ATOM 0 HB3 CYS A 48 20.681 32.464 26.690 1.00 0.00 H new ATOM 750 N THR A 49 17.002 32.617 25.585 1.00 0.00 N ATOM 751 CA THR A 49 15.595 32.502 26.030 1.00 0.00 C ATOM 752 C THR A 49 15.066 31.061 26.070 1.00 0.00 C ATOM 753 O THR A 49 15.729 30.124 25.621 1.00 0.00 O ATOM 754 CB THR A 49 14.676 33.392 25.161 1.00 0.00 C ATOM 755 OG1 THR A 49 14.503 32.870 23.862 1.00 0.00 O ATOM 756 CG2 THR A 49 15.186 34.822 24.985 1.00 0.00 C ATOM 0 H THR A 49 17.172 32.148 24.695 1.00 0.00 H new ATOM 0 HA THR A 49 15.580 32.854 27.062 1.00 0.00 H new ATOM 0 HB THR A 49 13.737 33.404 25.714 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.349 32.927 23.371 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.488 35.383 24.364 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.270 35.301 25.961 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.164 34.803 24.505 1.00 0.00 H new ATOM 764 N HIS A 50 13.860 30.888 26.626 1.00 0.00 N ATOM 765 CA HIS A 50 13.161 29.611 26.861 1.00 0.00 C ATOM 766 C HIS A 50 13.897 28.662 27.824 1.00 0.00 C ATOM 767 O HIS A 50 13.785 27.437 27.721 1.00 0.00 O ATOM 768 CB HIS A 50 12.741 28.956 25.530 1.00 0.00 C ATOM 769 CG HIS A 50 12.000 29.875 24.588 1.00 0.00 C ATOM 770 ND1 HIS A 50 10.780 30.503 24.867 1.00 0.00 N ATOM 771 CD2 HIS A 50 12.351 30.151 23.298 1.00 0.00 C ATOM 772 CE1 HIS A 50 10.453 31.171 23.748 1.00 0.00 C ATOM 773 NE2 HIS A 50 11.365 30.969 22.788 1.00 0.00 N ATOM 0 H HIS A 50 13.309 31.685 26.945 1.00 0.00 H new ATOM 0 HA HIS A 50 12.242 29.848 27.398 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.632 28.582 25.026 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.111 28.093 25.747 1.00 0.00 H new ATOM 0 HD2 HIS A 50 13.229 29.798 22.778 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.573 31.788 23.637 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.335 31.353 21.844 1.00 0.00 H new ATOM 781 N LEU A 51 14.670 29.221 28.756 1.00 0.00 N ATOM 782 CA LEU A 51 15.580 28.483 29.637 1.00 0.00 C ATOM 783 C LEU A 51 14.849 27.682 30.729 1.00 0.00 C ATOM 784 O LEU A 51 13.905 28.181 31.342 1.00 0.00 O ATOM 785 CB LEU A 51 16.572 29.468 30.292 1.00 0.00 C ATOM 786 CG LEU A 51 17.295 30.439 29.339 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.230 31.339 30.145 1.00 0.00 C ATOM 788 CD2 LEU A 51 18.116 29.695 28.292 1.00 0.00 C ATOM 0 H LEU A 51 14.682 30.227 28.925 1.00 0.00 H new ATOM 0 HA LEU A 51 16.108 27.759 29.016 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.032 30.055 31.035 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.325 28.890 30.828 1.00 0.00 H new ATOM 0 HG LEU A 51 16.535 31.029 28.827 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.742 32.027 29.472 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.650 31.907 30.872 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.965 30.726 30.666 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.611 30.414 27.639 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.866 29.079 28.788 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.459 29.059 27.699 1.00 0.00 H new ATOM 800 N TYR A 52 15.301 26.458 31.006 1.00 0.00 N ATOM 801 CA TYR A 52 14.893 25.697 32.196 1.00 0.00 C ATOM 802 C TYR A 52 15.582 26.289 33.437 1.00 0.00 C ATOM 803 O TYR A 52 16.703 26.787 33.346 1.00 0.00 O ATOM 804 CB TYR A 52 15.232 24.198 32.034 1.00 0.00 C ATOM 805 CG TYR A 52 16.386 23.877 31.095 1.00 0.00 C ATOM 806 CD1 TYR A 52 17.715 23.987 31.545 1.00 0.00 C ATOM 807 CD2 TYR A 52 16.130 23.512 29.758 1.00 0.00 C ATOM 808 CE1 TYR A 52 18.787 23.769 30.659 1.00 0.00 C ATOM 809 CE2 TYR A 52 17.199 23.283 28.870 1.00 0.00 C ATOM 810 CZ TYR A 52 18.529 23.430 29.313 1.00 0.00 C ATOM 811 OH TYR A 52 19.553 23.238 28.445 1.00 0.00 O ATOM 0 H TYR A 52 15.964 25.961 30.411 1.00 0.00 H new ATOM 0 HA TYR A 52 13.813 25.774 32.319 1.00 0.00 H new ATOM 0 HB2 TYR A 52 15.464 23.789 33.017 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.342 23.680 31.676 1.00 0.00 H new ATOM 0 HD1 TYR A 52 17.914 24.240 32.576 1.00 0.00 H new ATOM 0 HD2 TYR A 52 15.112 23.408 29.414 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.805 23.861 31.008 1.00 0.00 H new ATOM 0 HE2 TYR A 52 16.999 22.994 27.849 1.00 0.00 H new ATOM 0 HH TYR A 52 19.286 22.586 27.763 1.00 0.00 H new ATOM 821 N GLU A 53 14.973 26.195 34.623 1.00 0.00 N ATOM 822 CA GLU A 53 15.561 26.756 35.860 1.00 0.00 C ATOM 823 C GLU A 53 16.897 26.089 36.266 1.00 0.00 C ATOM 824 O GLU A 53 17.673 26.665 37.029 1.00 0.00 O ATOM 825 CB GLU A 53 14.547 26.686 37.015 1.00 0.00 C ATOM 826 CG GLU A 53 13.268 27.521 36.801 1.00 0.00 C ATOM 827 CD GLU A 53 13.499 29.039 36.710 1.00 0.00 C ATOM 828 OE1 GLU A 53 12.674 29.744 36.085 1.00 0.00 O ATOM 829 OE2 GLU A 53 14.481 29.580 37.272 1.00 0.00 O1- ATOM 0 H GLU A 53 14.072 25.737 34.761 1.00 0.00 H new ATOM 0 HA GLU A 53 15.796 27.798 35.644 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.263 25.645 37.169 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.035 27.022 37.930 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.781 27.186 35.885 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.578 27.321 37.621 1.00 0.00 H new ATOM 836 N GLN A 54 17.224 24.919 35.704 1.00 0.00 N ATOM 837 CA GLN A 54 18.529 24.255 35.867 1.00 0.00 C ATOM 838 C GLN A 54 19.666 24.844 34.999 1.00 0.00 C ATOM 839 O GLN A 54 20.811 24.397 35.115 1.00 0.00 O ATOM 840 CB GLN A 54 18.357 22.745 35.601 1.00 0.00 C ATOM 841 CG GLN A 54 17.458 22.047 36.638 1.00 0.00 C ATOM 842 CD GLN A 54 18.021 22.101 38.059 1.00 0.00 C ATOM 843 OE1 GLN A 54 19.227 22.083 38.287 1.00 0.00 O ATOM 844 NE2 GLN A 54 17.181 22.153 39.064 1.00 0.00 N ATOM 0 H GLN A 54 16.579 24.395 35.112 1.00 0.00 H new ATOM 0 HA GLN A 54 18.848 24.434 36.894 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.932 22.603 34.607 1.00 0.00 H new ATOM 0 HB3 GLN A 54 19.337 22.269 35.600 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.473 22.513 36.627 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.321 21.005 36.348 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.176 22.169 38.889 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.532 22.178 40.021 1.00 0.00 H new ATOM 853 N ALA A 55 19.376 25.808 34.114 1.00 0.00 N ATOM 854 CA ALA A 55 20.351 26.414 33.203 1.00 0.00 C ATOM 855 C ALA A 55 21.375 27.301 33.931 1.00 0.00 C ATOM 856 O ALA A 55 21.057 27.910 34.959 1.00 0.00 O ATOM 857 CB ALA A 55 19.600 27.223 32.137 1.00 0.00 C ATOM 0 H ALA A 55 18.438 26.194 34.011 1.00 0.00 H new ATOM 0 HA ALA A 55 20.920 25.610 32.737 1.00 0.00 H new ATOM 0 HB1 ALA A 55 20.317 27.678 31.454 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.936 26.562 31.579 1.00 0.00 H new ATOM 0 HB3 ALA A 55 19.013 28.004 32.620 1.00 0.00 H new ATOM 863 N VAL A 56 22.587 27.421 33.385 1.00 0.00 N ATOM 864 CA VAL A 56 23.639 28.319 33.896 1.00 0.00 C ATOM 865 C VAL A 56 23.654 29.634 33.111 1.00 0.00 C ATOM 866 O VAL A 56 23.811 29.625 31.889 1.00 0.00 O ATOM 867 CB VAL A 56 25.024 27.641 33.887 1.00 0.00 C ATOM 868 CG1 VAL A 56 26.108 28.560 34.470 1.00 0.00 C ATOM 869 CG2 VAL A 56 25.013 26.351 34.720 1.00 0.00 C ATOM 0 H VAL A 56 22.875 26.891 32.562 1.00 0.00 H new ATOM 0 HA VAL A 56 23.405 28.548 34.936 1.00 0.00 H new ATOM 0 HB VAL A 56 25.248 27.419 32.844 1.00 0.00 H new ATOM 0 HG11 VAL A 56 27.070 28.048 34.447 1.00 0.00 H new ATOM 0 HG12 VAL A 56 26.169 29.473 33.877 1.00 0.00 H new ATOM 0 HG13 VAL A 56 25.856 28.812 35.500 1.00 0.00 H new ATOM 0 HG21 VAL A 56 26.002 25.894 34.696 1.00 0.00 H new ATOM 0 HG22 VAL A 56 24.747 26.586 35.751 1.00 0.00 H new ATOM 0 HG23 VAL A 56 24.282 25.656 34.305 1.00 0.00 H new ATOM 879 N VAL A 57 23.511 30.759 33.821 1.00 0.00 N ATOM 880 CA VAL A 57 23.553 32.133 33.274 1.00 0.00 C ATOM 881 C VAL A 57 24.310 33.106 34.189 1.00 0.00 C ATOM 882 O VAL A 57 25.083 33.930 33.700 1.00 0.00 O ATOM 883 CB VAL A 57 22.143 32.682 32.956 1.00 0.00 C ATOM 884 CG1 VAL A 57 21.451 31.902 31.835 1.00 0.00 C ATOM 885 CG2 VAL A 57 21.192 32.707 34.161 1.00 0.00 C ATOM 0 H VAL A 57 23.357 30.744 34.829 1.00 0.00 H new ATOM 0 HA VAL A 57 24.105 32.059 32.337 1.00 0.00 H new ATOM 0 HB VAL A 57 22.336 33.708 32.643 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.465 32.328 31.651 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.049 31.964 30.926 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.346 30.858 32.129 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.225 33.105 33.853 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.062 31.694 34.543 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.612 33.339 34.943 1.00 0.00 H new ATOM 895 N TRP A 58 24.136 33.021 35.515 1.00 0.00 N ATOM 896 CA TRP A 58 24.843 33.884 36.473 1.00 0.00 C ATOM 897 C TRP A 58 26.350 33.564 36.565 1.00 0.00 C ATOM 898 O TRP A 58 26.714 32.385 36.480 1.00 0.00 O ATOM 899 CB TRP A 58 24.180 33.807 37.855 1.00 0.00 C ATOM 900 CG TRP A 58 22.689 33.893 37.808 1.00 0.00 C ATOM 901 CD1 TRP A 58 21.838 32.897 38.139 1.00 0.00 C ATOM 902 CD2 TRP A 58 21.856 34.984 37.307 1.00 0.00 C ATOM 903 NE1 TRP A 58 20.546 33.278 37.847 1.00 0.00 N ATOM 904 CE2 TRP A 58 20.505 34.535 37.296 1.00 0.00 C ATOM 905 CE3 TRP A 58 22.104 36.283 36.814 1.00 0.00 C ATOM 906 CZ2 TRP A 58 19.462 35.310 36.779 1.00 0.00 C ATOM 907 CZ3 TRP A 58 21.055 37.085 36.322 1.00 0.00 C ATOM 908 CH2 TRP A 58 19.736 36.597 36.290 1.00 0.00 C ATOM 0 H TRP A 58 23.502 32.353 35.954 1.00 0.00 H new ATOM 0 HA TRP A 58 24.766 34.905 36.100 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.467 32.871 38.335 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.563 34.615 38.478 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.126 31.948 38.567 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.724 32.699 38.019 1.00 0.00 H new ATOM 0 HE3 TRP A 58 23.113 36.668 36.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.454 34.922 36.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 21.265 38.083 35.966 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.940 37.208 35.892 1.00 0.00 H new ATOM 919 N PRO A 59 27.226 34.569 36.789 1.00 0.00 N ATOM 920 CA PRO A 59 28.679 34.406 36.716 1.00 0.00 C ATOM 921 C PRO A 59 29.260 33.280 37.583 1.00 0.00 C ATOM 922 O PRO A 59 28.847 33.054 38.729 1.00 0.00 O ATOM 923 CB PRO A 59 29.273 35.761 37.103 1.00 0.00 C ATOM 924 CG PRO A 59 28.203 36.747 36.653 1.00 0.00 C ATOM 925 CD PRO A 59 26.909 35.989 36.939 1.00 0.00 C ATOM 0 HA PRO A 59 28.942 34.098 35.704 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.459 35.829 38.175 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.224 35.942 36.603 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.255 37.683 37.209 1.00 0.00 H new ATOM 0 HG3 PRO A 59 28.301 36.997 35.597 1.00 0.00 H new ATOM 0 HD2 PRO A 59 26.547 36.203 37.945 1.00 0.00 H new ATOM 0 HD3 PRO A 59 26.122 36.287 36.247 1.00 0.00 H new ATOM 933 N LEU A 60 30.263 32.593 37.038 1.00 0.00 N ATOM 934 CA LEU A 60 30.957 31.488 37.698 1.00 0.00 C ATOM 935 C LEU A 60 31.944 31.995 38.776 1.00 0.00 C ATOM 936 O LEU A 60 32.420 33.132 38.691 1.00 0.00 O ATOM 937 CB LEU A 60 31.676 30.630 36.637 1.00 0.00 C ATOM 938 CG LEU A 60 30.827 29.729 35.719 1.00 0.00 C ATOM 939 CD1 LEU A 60 30.040 28.687 36.508 1.00 0.00 C ATOM 940 CD2 LEU A 60 29.844 30.484 34.825 1.00 0.00 C ATOM 0 H LEU A 60 30.624 32.793 36.105 1.00 0.00 H new ATOM 0 HA LEU A 60 30.221 30.872 38.215 1.00 0.00 H new ATOM 0 HB2 LEU A 60 32.251 31.303 36.001 1.00 0.00 H new ATOM 0 HB3 LEU A 60 32.392 29.993 37.156 1.00 0.00 H new ATOM 0 HG LEU A 60 31.566 29.248 35.078 1.00 0.00 H new ATOM 0 HD11 LEU A 60 29.456 28.075 35.821 1.00 0.00 H new ATOM 0 HD12 LEU A 60 30.731 28.052 37.062 1.00 0.00 H new ATOM 0 HD13 LEU A 60 29.370 29.189 37.206 1.00 0.00 H new ATOM 0 HD21 LEU A 60 29.289 29.773 34.213 1.00 0.00 H new ATOM 0 HD22 LEU A 60 29.149 31.050 35.445 1.00 0.00 H new ATOM 0 HD23 LEU A 60 30.393 31.169 34.178 1.00 0.00 H new ATOM 952 N PRO A 61 32.281 31.178 39.797 1.00 0.00 N ATOM 953 CA PRO A 61 33.166 31.591 40.887 1.00 0.00 C ATOM 954 C PRO A 61 34.651 31.621 40.498 1.00 0.00 C ATOM 955 O PRO A 61 35.405 32.418 41.057 1.00 0.00 O ATOM 956 CB PRO A 61 32.917 30.575 42.003 1.00 0.00 C ATOM 957 CG PRO A 61 32.511 29.305 41.258 1.00 0.00 C ATOM 958 CD PRO A 61 31.728 29.859 40.070 1.00 0.00 C ATOM 0 HA PRO A 61 32.945 32.616 41.184 1.00 0.00 H new ATOM 0 HB2 PRO A 61 33.811 30.416 42.606 1.00 0.00 H new ATOM 0 HB3 PRO A 61 32.131 30.910 42.680 1.00 0.00 H new ATOM 0 HG2 PRO A 61 33.378 28.726 40.939 1.00 0.00 H new ATOM 0 HG3 PRO A 61 31.900 28.648 41.877 1.00 0.00 H new ATOM 0 HD2 PRO A 61 31.827 29.208 39.201 1.00 0.00 H new ATOM 0 HD3 PRO A 61 30.665 29.923 40.301 1.00 0.00 H new ATOM 966 N ASN A 62 35.089 30.768 39.563 1.00 0.00 N ATOM 967 CA ASN A 62 36.487 30.678 39.135 1.00 0.00 C ATOM 968 C ASN A 62 36.726 31.488 37.846 1.00 0.00 C ATOM 969 O ASN A 62 37.614 32.339 37.809 1.00 0.00 O ATOM 970 CB ASN A 62 36.861 29.189 39.016 1.00 0.00 C ATOM 971 CG ASN A 62 36.833 28.468 40.351 1.00 0.00 C ATOM 972 OD1 ASN A 62 37.631 28.740 41.243 1.00 0.00 O ATOM 973 ND2 ASN A 62 35.919 27.551 40.555 1.00 0.00 N ATOM 0 H ASN A 62 34.474 30.114 39.078 1.00 0.00 H new ATOM 0 HA ASN A 62 37.149 31.130 39.874 1.00 0.00 H new ATOM 0 HB2 ASN A 62 36.171 28.699 38.329 1.00 0.00 H new ATOM 0 HB3 ASN A 62 37.857 29.103 38.582 1.00 0.00 H new ATOM 0 HD21 ASN A 62 35.873 27.067 41.452 1.00 0.00 H new ATOM 0 HD22 ASN A 62 35.253 27.321 39.817 1.00 0.00 H new ATOM 980 N LYS A 63 35.883 31.270 36.827 1.00 0.00 N ATOM 981 CA LYS A 63 35.734 32.005 35.560 1.00 0.00 C ATOM 982 C LYS A 63 37.003 32.226 34.719 1.00 0.00 C ATOM 983 O LYS A 63 37.055 33.155 33.912 1.00 0.00 O ATOM 984 CB LYS A 63 34.773 33.206 35.720 1.00 0.00 C ATOM 985 CG LYS A 63 35.167 34.322 36.706 1.00 0.00 C ATOM 986 CD LYS A 63 36.385 35.157 36.291 1.00 0.00 C ATOM 987 CE LYS A 63 36.177 35.914 34.976 1.00 0.00 C ATOM 988 NZ LYS A 63 35.165 36.986 35.105 1.00 0.00 N1+ ATOM 0 H LYS A 63 35.220 30.496 36.873 1.00 0.00 H new ATOM 0 HA LYS A 63 35.236 31.316 34.878 1.00 0.00 H new ATOM 0 HB2 LYS A 63 34.640 33.660 34.738 1.00 0.00 H new ATOM 0 HB3 LYS A 63 33.802 32.818 36.026 1.00 0.00 H new ATOM 0 HG2 LYS A 63 34.315 34.990 36.834 1.00 0.00 H new ATOM 0 HG3 LYS A 63 35.369 33.872 37.678 1.00 0.00 H new ATOM 0 HD2 LYS A 63 36.614 35.871 37.082 1.00 0.00 H new ATOM 0 HD3 LYS A 63 37.250 34.502 36.193 1.00 0.00 H new ATOM 0 HE2 LYS A 63 37.124 36.347 34.654 1.00 0.00 H new ATOM 0 HE3 LYS A 63 35.866 35.214 34.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 35.093 37.505 34.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 34.242 36.566 35.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 35.448 37.641 35.862 1.00 0.00 H new ATOM 1002 N ARG A 64 38.016 31.368 34.884 1.00 0.00 N ATOM 1003 CA ARG A 64 39.282 31.373 34.127 1.00 0.00 C ATOM 1004 C ARG A 64 39.058 30.812 32.707 1.00 0.00 C ATOM 1005 O ARG A 64 39.247 29.621 32.451 1.00 0.00 O ATOM 1006 CB ARG A 64 40.332 30.618 34.967 1.00 0.00 C ATOM 1007 CG ARG A 64 41.775 30.723 34.450 1.00 0.00 C ATOM 1008 CD ARG A 64 42.385 32.123 34.611 1.00 0.00 C ATOM 1009 NE ARG A 64 42.535 32.531 36.025 1.00 0.00 N ATOM 1010 CZ ARG A 64 43.632 32.436 36.759 1.00 0.00 C ATOM 1011 NH1 ARG A 64 44.706 31.822 36.354 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 43.682 32.959 37.948 1.00 0.00 N ATOM 0 H ARG A 64 37.979 30.619 35.576 1.00 0.00 H new ATOM 0 HA ARG A 64 39.662 32.382 33.965 1.00 0.00 H new ATOM 0 HB2 ARG A 64 40.299 30.998 35.988 1.00 0.00 H new ATOM 0 HB3 ARG A 64 40.053 29.565 35.009 1.00 0.00 H new ATOM 0 HG2 ARG A 64 42.396 30.002 34.982 1.00 0.00 H new ATOM 0 HG3 ARG A 64 41.796 30.446 33.396 1.00 0.00 H new ATOM 0 HD2 ARG A 64 43.361 32.145 34.127 1.00 0.00 H new ATOM 0 HD3 ARG A 64 41.756 32.848 34.094 1.00 0.00 H new ATOM 0 HE ARG A 64 41.711 32.925 36.479 1.00 0.00 H new ATOM 0 HH11 ARG A 64 44.727 31.386 35.432 1.00 0.00 H new ATOM 0 HH12 ARG A 64 45.526 31.777 36.959 1.00 0.00 H new ATOM 0 HH21 ARG A 64 42.870 33.449 38.324 1.00 0.00 H new ATOM 0 HH22 ARG A 64 44.533 32.880 38.505 1.00 0.00 H new ATOM 1026 N CYS A 65 38.607 31.680 31.803 1.00 0.00 N ATOM 1027 CA CYS A 65 38.096 31.348 30.469 1.00 0.00 C ATOM 1028 C CYS A 65 39.121 30.638 29.555 1.00 0.00 C ATOM 1029 O CYS A 65 40.298 31.011 29.515 1.00 0.00 O ATOM 1030 CB CYS A 65 37.530 32.640 29.856 1.00 0.00 C ATOM 1031 SG CYS A 65 37.055 32.548 28.114 1.00 0.00 S ATOM 0 H CYS A 65 38.586 32.683 31.987 1.00 0.00 H new ATOM 0 HA CYS A 65 37.306 30.603 30.567 1.00 0.00 H new ATOM 0 HB2 CYS A 65 36.657 32.941 30.435 1.00 0.00 H new ATOM 0 HB3 CYS A 65 38.274 33.428 29.968 1.00 0.00 H new ATOM 1036 N LYS A 66 38.667 29.621 28.802 1.00 0.00 N ATOM 1037 CA LYS A 66 39.459 28.726 27.917 1.00 0.00 C ATOM 1038 C LYS A 66 40.543 27.882 28.618 1.00 0.00 C ATOM 1039 O LYS A 66 41.428 27.327 27.960 1.00 0.00 O ATOM 1040 CB LYS A 66 40.041 29.465 26.690 1.00 0.00 C ATOM 1041 CG LYS A 66 39.079 30.377 25.914 1.00 0.00 C ATOM 1042 CD LYS A 66 39.766 30.903 24.646 1.00 0.00 C ATOM 1043 CE LYS A 66 38.926 31.979 23.949 1.00 0.00 C ATOM 1044 NZ LYS A 66 39.639 32.507 22.764 1.00 0.00 N1+ ATOM 0 H LYS A 66 37.676 29.381 28.789 1.00 0.00 H new ATOM 0 HA LYS A 66 38.719 28.005 27.570 1.00 0.00 H new ATOM 0 HB2 LYS A 66 40.886 30.067 27.025 1.00 0.00 H new ATOM 0 HB3 LYS A 66 40.435 28.720 25.999 1.00 0.00 H new ATOM 0 HG2 LYS A 66 38.177 29.826 25.647 1.00 0.00 H new ATOM 0 HG3 LYS A 66 38.769 31.212 26.543 1.00 0.00 H new ATOM 0 HD2 LYS A 66 40.742 31.314 24.905 1.00 0.00 H new ATOM 0 HD3 LYS A 66 39.941 30.076 23.958 1.00 0.00 H new ATOM 0 HE2 LYS A 66 37.966 31.560 23.646 1.00 0.00 H new ATOM 0 HE3 LYS A 66 38.714 32.791 24.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 39.056 33.235 22.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 40.544 32.925 23.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 39.819 31.733 22.094 1.00 0.00 H new HETATM 1058 N NH2 A 67 40.514 27.765 29.938 1.00 0.00 N TER 1061 NH2 A 67