USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=15 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 97:sc= 0.286 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0.259 K(o=0.55,f=-1.2) USER MOD Single : A 1 LYS N :NH3+ 176:sc= 0.923 (180deg=0.914) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 150:sc= -0.0844 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc=-0.00016 X(o=-0.00016,f=-0.00016) USER MOD Single : A 10 THR OG1 : rot 130:sc= 0.0961 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.0276 (180deg=-0.249) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 25:sc= 0.499 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0844 X(o=-0.084,f=-0.19) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 1.22 USER MOD Single : A 34 TYR OH : rot 180:sc= 0.0397 USER MOD Single : A 35 GLN : amide:sc= -0.173 K(o=-0.17,f=-5.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.24) 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 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0521 X(o=-0.052,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.031 31.262 31.677 1.00 0.00 N ATOM 2 CA LYS A 1 13.085 32.124 32.251 1.00 0.00 C ATOM 3 C LYS A 1 14.036 32.593 31.147 1.00 0.00 C ATOM 4 O LYS A 1 14.362 31.812 30.257 1.00 0.00 O ATOM 5 CB LYS A 1 13.816 31.351 33.362 1.00 0.00 C ATOM 6 CG LYS A 1 14.523 32.256 34.379 1.00 0.00 C ATOM 7 CD LYS A 1 14.995 31.401 35.560 1.00 0.00 C ATOM 8 CE LYS A 1 15.556 32.241 36.712 1.00 0.00 C ATOM 9 NZ LYS A 1 15.986 31.366 37.826 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.430 30.893 32.441 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.450 31.817 31.017 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.470 30.468 31.168 1.00 0.00 H new ATOM 0 HA LYS A 1 12.646 33.017 32.695 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.098 30.721 33.887 1.00 0.00 H new ATOM 0 HB3 LYS A 1 14.551 30.687 32.907 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.372 32.756 33.913 1.00 0.00 H new ATOM 0 HG3 LYS A 1 13.845 33.036 34.725 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.161 30.802 35.925 1.00 0.00 H new ATOM 0 HD3 LYS A 1 15.761 30.706 35.216 1.00 0.00 H new ATOM 0 HE2 LYS A 1 16.400 32.834 36.361 1.00 0.00 H new ATOM 0 HE3 LYS A 1 14.798 32.941 37.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 16.364 31.949 38.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 15.172 30.818 38.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 16.724 30.715 37.491 1.00 0.00 H new ATOM 25 N GLU A 2 14.476 33.849 31.160 1.00 0.00 N ATOM 26 CA GLU A 2 15.568 34.335 30.296 1.00 0.00 C ATOM 27 C GLU A 2 16.926 34.062 30.980 1.00 0.00 C ATOM 28 O GLU A 2 16.976 33.989 32.211 1.00 0.00 O ATOM 29 CB GLU A 2 15.429 35.842 30.003 1.00 0.00 C ATOM 30 CG GLU A 2 14.022 36.436 29.789 1.00 0.00 C ATOM 31 CD GLU A 2 13.017 35.526 29.067 1.00 0.00 C ATOM 32 OE1 GLU A 2 11.883 35.356 29.579 1.00 0.00 O ATOM 33 OE2 GLU A 2 13.311 35.013 27.964 1.00 0.00 O1- ATOM 0 H GLU A 2 14.088 34.568 31.771 1.00 0.00 H new ATOM 0 HA GLU A 2 15.513 33.802 29.347 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.892 36.382 30.829 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.017 36.059 29.111 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.609 36.703 30.762 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.121 37.360 29.220 1.00 0.00 H new ATOM 40 N GLY A 3 18.031 33.925 30.234 1.00 0.00 N ATOM 41 CA GLY A 3 19.312 33.502 30.816 1.00 0.00 C ATOM 42 C GLY A 3 20.588 33.976 30.124 1.00 0.00 C ATOM 43 O GLY A 3 20.586 34.456 28.990 1.00 0.00 O ATOM 0 H GLY A 3 18.064 34.100 29.230 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.342 33.845 31.850 1.00 0.00 H new ATOM 0 HA3 GLY A 3 19.327 32.412 30.841 1.00 0.00 H new ATOM 47 N TYR A 4 21.694 33.833 30.849 1.00 0.00 N ATOM 48 CA TYR A 4 23.042 34.219 30.427 1.00 0.00 C ATOM 49 C TYR A 4 23.717 33.143 29.542 1.00 0.00 C ATOM 50 O TYR A 4 23.202 32.031 29.385 1.00 0.00 O ATOM 51 CB TYR A 4 23.844 34.556 31.698 1.00 0.00 C ATOM 52 CG TYR A 4 24.988 35.535 31.511 1.00 0.00 C ATOM 53 CD1 TYR A 4 24.708 36.895 31.270 1.00 0.00 C ATOM 54 CD2 TYR A 4 26.325 35.106 31.634 1.00 0.00 C ATOM 55 CE1 TYR A 4 25.758 37.827 31.149 1.00 0.00 C ATOM 56 CE2 TYR A 4 27.377 36.036 31.510 1.00 0.00 C ATOM 57 CZ TYR A 4 27.098 37.399 31.269 1.00 0.00 C ATOM 58 OH TYR A 4 28.118 38.294 31.177 1.00 0.00 O ATOM 0 H TYR A 4 21.677 33.429 31.785 1.00 0.00 H new ATOM 0 HA TYR A 4 22.999 35.098 29.784 1.00 0.00 H new ATOM 0 HB2 TYR A 4 23.159 34.963 32.441 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.246 33.630 32.109 1.00 0.00 H new ATOM 0 HD1 TYR A 4 23.684 37.225 31.178 1.00 0.00 H new ATOM 0 HD2 TYR A 4 26.543 34.065 31.823 1.00 0.00 H new ATOM 0 HE1 TYR A 4 25.538 38.868 30.965 1.00 0.00 H new ATOM 0 HE2 TYR A 4 28.401 35.705 31.600 1.00 0.00 H new ATOM 0 HH TYR A 4 28.872 37.988 31.723 1.00 0.00 H new ATOM 68 N LEU A 5 24.893 33.453 28.982 1.00 0.00 N ATOM 69 CA LEU A 5 25.663 32.555 28.113 1.00 0.00 C ATOM 70 C LEU A 5 27.166 32.652 28.444 1.00 0.00 C ATOM 71 O LEU A 5 27.816 33.661 28.150 1.00 0.00 O ATOM 72 CB LEU A 5 25.338 32.888 26.637 1.00 0.00 C ATOM 73 CG LEU A 5 25.445 31.692 25.672 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.109 32.139 24.248 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.829 31.041 25.644 1.00 0.00 C ATOM 0 H LEU A 5 25.346 34.356 29.124 1.00 0.00 H new ATOM 0 HA LEU A 5 25.383 31.516 28.285 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.327 33.292 26.583 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.014 33.673 26.298 1.00 0.00 H new ATOM 0 HG LEU A 5 24.736 30.952 26.043 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.187 31.288 23.572 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.093 32.533 24.220 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.807 32.915 23.936 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.825 30.207 24.942 1.00 0.00 H new ATOM 0 HD22 LEU A 5 27.570 31.776 25.330 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.079 30.675 26.640 1.00 0.00 H new ATOM 87 N VAL A 6 27.710 31.608 29.080 1.00 0.00 N ATOM 88 CA VAL A 6 29.080 31.578 29.625 1.00 0.00 C ATOM 89 C VAL A 6 29.811 30.277 29.277 1.00 0.00 C ATOM 90 O VAL A 6 29.205 29.211 29.157 1.00 0.00 O ATOM 91 CB VAL A 6 29.058 31.843 31.145 1.00 0.00 C ATOM 92 CG1 VAL A 6 28.523 30.656 31.955 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.432 32.227 31.705 1.00 0.00 C ATOM 0 H VAL A 6 27.201 30.738 29.236 1.00 0.00 H new ATOM 0 HA VAL A 6 29.648 32.379 29.152 1.00 0.00 H new ATOM 0 HB VAL A 6 28.376 32.686 31.256 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.533 30.905 33.016 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.502 30.434 31.644 1.00 0.00 H new ATOM 0 HG13 VAL A 6 29.153 29.784 31.781 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.352 32.401 32.778 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.139 31.418 31.520 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.783 33.135 31.216 1.00 0.00 H new ATOM 103 N ASP A 7 31.128 30.361 29.098 1.00 0.00 N ATOM 104 CA ASP A 7 32.020 29.221 28.841 1.00 0.00 C ATOM 105 C ASP A 7 32.079 28.251 30.045 1.00 0.00 C ATOM 106 O ASP A 7 31.977 28.670 31.203 1.00 0.00 O ATOM 107 CB ASP A 7 33.387 29.817 28.450 1.00 0.00 C ATOM 108 CG ASP A 7 34.458 28.873 27.905 1.00 0.00 C ATOM 109 OD1 ASP A 7 35.446 29.413 27.361 1.00 0.00 O ATOM 110 OD2 ASP A 7 34.345 27.629 27.969 1.00 0.00 O1- ATOM 0 H ASP A 7 31.624 31.252 29.128 1.00 0.00 H new ATOM 0 HA ASP A 7 31.650 28.598 28.027 1.00 0.00 H new ATOM 0 HB2 ASP A 7 33.211 30.589 27.701 1.00 0.00 H new ATOM 0 HB3 ASP A 7 33.797 30.314 29.329 1.00 0.00 H new ATOM 115 N TYR A 8 32.196 26.936 29.807 1.00 0.00 N ATOM 116 CA TYR A 8 32.400 25.935 30.875 1.00 0.00 C ATOM 117 C TYR A 8 33.867 25.826 31.330 1.00 0.00 C ATOM 118 O TYR A 8 34.144 25.448 32.475 1.00 0.00 O ATOM 119 CB TYR A 8 31.847 24.559 30.449 1.00 0.00 C ATOM 120 CG TYR A 8 32.545 23.885 29.280 1.00 0.00 C ATOM 121 CD1 TYR A 8 31.968 23.930 27.998 1.00 0.00 C ATOM 122 CD2 TYR A 8 33.750 23.183 29.480 1.00 0.00 C ATOM 123 CE1 TYR A 8 32.620 23.326 26.906 1.00 0.00 C ATOM 124 CE2 TYR A 8 34.401 22.572 28.390 1.00 0.00 C ATOM 125 CZ TYR A 8 33.842 22.651 27.098 1.00 0.00 C ATOM 126 OH TYR A 8 34.459 22.052 26.046 1.00 0.00 O ATOM 0 H TYR A 8 32.152 26.533 28.871 1.00 0.00 H new ATOM 0 HA TYR A 8 31.838 26.286 31.741 1.00 0.00 H new ATOM 0 HB2 TYR A 8 31.896 23.890 31.308 1.00 0.00 H new ATOM 0 HB3 TYR A 8 30.793 24.677 30.196 1.00 0.00 H new ATOM 0 HD1 TYR A 8 31.022 24.429 27.851 1.00 0.00 H new ATOM 0 HD2 TYR A 8 34.175 23.113 30.470 1.00 0.00 H new ATOM 0 HE1 TYR A 8 32.183 23.380 25.920 1.00 0.00 H new ATOM 0 HE2 TYR A 8 35.329 22.042 28.544 1.00 0.00 H new ATOM 0 HH TYR A 8 35.291 21.633 26.350 1.00 0.00 H new ATOM 136 N HIS A 9 34.824 26.157 30.457 1.00 0.00 N ATOM 137 CA HIS A 9 36.262 25.970 30.708 1.00 0.00 C ATOM 138 C HIS A 9 36.921 27.142 31.458 1.00 0.00 C ATOM 139 O HIS A 9 37.954 26.979 32.112 1.00 0.00 O ATOM 140 CB HIS A 9 36.955 25.708 29.364 1.00 0.00 C ATOM 141 CG HIS A 9 38.419 25.405 29.509 1.00 0.00 C ATOM 142 ND1 HIS A 9 38.959 24.253 30.084 1.00 0.00 N ATOM 143 CD2 HIS A 9 39.428 26.248 29.168 1.00 0.00 C ATOM 144 CE1 HIS A 9 40.291 24.437 30.086 1.00 0.00 C ATOM 145 NE2 HIS A 9 40.596 25.621 29.531 1.00 0.00 N ATOM 0 H HIS A 9 34.623 26.567 29.545 1.00 0.00 H new ATOM 0 HA HIS A 9 36.378 25.115 31.374 1.00 0.00 H new ATOM 0 HB2 HIS A 9 36.464 24.872 28.865 1.00 0.00 H new ATOM 0 HB3 HIS A 9 36.832 26.580 28.722 1.00 0.00 H new ATOM 0 HD2 HIS A 9 39.332 27.218 28.704 1.00 0.00 H new ATOM 0 HE1 HIS A 9 41.011 23.734 30.477 1.00 0.00 H new ATOM 0 HE2 HIS A 9 41.537 25.993 29.401 1.00 0.00 H new ATOM 153 N THR A 10 36.309 28.323 31.402 1.00 0.00 N ATOM 154 CA THR A 10 36.804 29.587 31.975 1.00 0.00 C ATOM 155 C THR A 10 35.627 30.539 32.237 1.00 0.00 C ATOM 156 O THR A 10 34.532 30.317 31.726 1.00 0.00 O ATOM 157 CB THR A 10 37.882 30.194 31.058 1.00 0.00 C ATOM 158 OG1 THR A 10 38.356 31.408 31.580 1.00 0.00 O ATOM 159 CG2 THR A 10 37.399 30.463 29.639 1.00 0.00 C ATOM 0 H THR A 10 35.410 28.437 30.934 1.00 0.00 H new ATOM 0 HA THR A 10 37.280 29.402 32.938 1.00 0.00 H new ATOM 0 HB THR A 10 38.671 29.443 31.017 1.00 0.00 H new ATOM 0 HG1 THR A 10 39.336 31.396 31.598 1.00 0.00 H new ATOM 0 HG21 THR A 10 38.213 30.890 29.053 1.00 0.00 H new ATOM 0 HG22 THR A 10 37.074 29.528 29.182 1.00 0.00 H new ATOM 0 HG23 THR A 10 36.564 31.164 29.665 1.00 0.00 H new ATOM 167 N GLY A 11 35.810 31.608 33.018 1.00 0.00 N ATOM 168 CA GLY A 11 34.733 32.529 33.415 1.00 0.00 C ATOM 169 C GLY A 11 34.194 33.461 32.311 1.00 0.00 C ATOM 170 O GLY A 11 33.529 34.446 32.643 1.00 0.00 O ATOM 0 H GLY A 11 36.721 31.864 33.399 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.902 31.939 33.801 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.095 33.146 34.238 1.00 0.00 H new ATOM 174 N CYS A 12 34.536 33.229 31.038 1.00 0.00 N ATOM 175 CA CYS A 12 34.264 34.134 29.914 1.00 0.00 C ATOM 176 C CYS A 12 32.796 34.157 29.445 1.00 0.00 C ATOM 177 O CYS A 12 32.220 33.115 29.119 1.00 0.00 O ATOM 178 CB CYS A 12 35.158 33.756 28.728 1.00 0.00 C ATOM 179 SG CYS A 12 36.939 33.798 29.028 1.00 0.00 S ATOM 0 H CYS A 12 35.025 32.380 30.753 1.00 0.00 H new ATOM 0 HA CYS A 12 34.481 35.136 30.284 1.00 0.00 H new ATOM 0 HB2 CYS A 12 34.889 32.751 28.402 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.934 34.430 27.901 1.00 0.00 H new ATOM 184 N LYS A 13 32.216 35.359 29.326 1.00 0.00 N ATOM 185 CA LYS A 13 30.914 35.625 28.690 1.00 0.00 C ATOM 186 C LYS A 13 31.055 35.733 27.166 1.00 0.00 C ATOM 187 O LYS A 13 32.057 36.256 26.672 1.00 0.00 O ATOM 188 CB LYS A 13 30.309 36.899 29.311 1.00 0.00 C ATOM 189 CG LYS A 13 31.186 38.161 29.154 1.00 0.00 C ATOM 190 CD LYS A 13 30.660 39.195 28.157 1.00 0.00 C ATOM 191 CE LYS A 13 29.719 40.232 28.797 1.00 0.00 C ATOM 192 NZ LYS A 13 30.439 41.117 29.747 1.00 0.00 N1+ ATOM 0 H LYS A 13 32.656 36.207 29.683 1.00 0.00 H new ATOM 0 HA LYS A 13 30.236 34.792 28.874 1.00 0.00 H new ATOM 0 HB2 LYS A 13 29.338 37.086 28.853 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.132 36.723 30.372 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.288 38.638 30.129 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.185 37.854 28.843 1.00 0.00 H new ATOM 0 HD2 LYS A 13 31.504 39.713 27.701 1.00 0.00 H new ATOM 0 HD3 LYS A 13 30.131 38.680 27.355 1.00 0.00 H new ATOM 0 HE2 LYS A 13 29.258 40.836 28.015 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.912 39.718 29.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 29.881 41.979 29.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.577 40.619 30.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 31.365 41.374 29.349 1.00 0.00 H new ATOM 206 N TYR A 14 30.061 35.266 26.410 1.00 0.00 N ATOM 207 CA TYR A 14 30.103 35.317 24.939 1.00 0.00 C ATOM 208 C TYR A 14 29.826 36.737 24.409 1.00 0.00 C ATOM 209 O TYR A 14 28.732 37.272 24.595 1.00 0.00 O ATOM 210 CB TYR A 14 29.134 34.279 24.345 1.00 0.00 C ATOM 211 CG TYR A 14 29.753 32.904 24.120 1.00 0.00 C ATOM 212 CD1 TYR A 14 29.615 32.281 22.862 1.00 0.00 C ATOM 213 CD2 TYR A 14 30.500 32.266 25.133 1.00 0.00 C ATOM 214 CE1 TYR A 14 30.248 31.049 22.605 1.00 0.00 C ATOM 215 CE2 TYR A 14 31.151 31.047 24.871 1.00 0.00 C ATOM 216 CZ TYR A 14 31.039 30.443 23.602 1.00 0.00 C ATOM 217 OH TYR A 14 31.748 29.317 23.326 1.00 0.00 O ATOM 0 H TYR A 14 29.212 34.846 26.789 1.00 0.00 H new ATOM 0 HA TYR A 14 31.112 35.061 24.615 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.278 34.175 25.011 1.00 0.00 H new ATOM 0 HB3 TYR A 14 28.755 34.654 23.395 1.00 0.00 H new ATOM 0 HD1 TYR A 14 29.021 32.751 22.092 1.00 0.00 H new ATOM 0 HD2 TYR A 14 30.572 32.715 26.113 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.127 30.569 21.645 1.00 0.00 H new ATOM 0 HE2 TYR A 14 31.738 30.573 25.644 1.00 0.00 H new ATOM 0 HH TYR A 14 32.238 29.035 24.126 1.00 0.00 H new ATOM 227 N THR A 15 30.811 37.345 23.732 1.00 0.00 N ATOM 228 CA THR A 15 30.651 38.653 23.055 1.00 0.00 C ATOM 229 C THR A 15 29.874 38.544 21.739 1.00 0.00 C ATOM 230 O THR A 15 29.668 37.449 21.212 1.00 0.00 O ATOM 231 CB THR A 15 32.000 39.365 22.841 1.00 0.00 C ATOM 232 OG1 THR A 15 31.812 40.737 22.595 1.00 0.00 O ATOM 233 CG2 THR A 15 32.828 38.837 21.671 1.00 0.00 C ATOM 0 H THR A 15 31.745 36.948 23.635 1.00 0.00 H new ATOM 0 HA THR A 15 30.056 39.267 23.731 1.00 0.00 H new ATOM 0 HB THR A 15 32.540 39.171 23.768 1.00 0.00 H new ATOM 0 HG1 THR A 15 30.964 41.027 22.991 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.759 39.400 21.601 1.00 0.00 H new ATOM 0 HG22 THR A 15 33.053 37.783 21.831 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.264 38.951 20.745 1.00 0.00 H new ATOM 241 N CYS A 16 29.479 39.699 21.210 1.00 0.00 N ATOM 242 CA CYS A 16 28.769 39.891 19.938 1.00 0.00 C ATOM 243 C CYS A 16 29.219 41.199 19.247 1.00 0.00 C ATOM 244 O CYS A 16 29.407 42.217 19.920 1.00 0.00 O ATOM 245 CB CYS A 16 27.253 39.850 20.211 1.00 0.00 C ATOM 246 SG CYS A 16 26.194 40.265 18.798 1.00 0.00 S ATOM 0 H CYS A 16 29.655 40.585 21.684 1.00 0.00 H new ATOM 0 HA CYS A 16 29.013 39.088 19.243 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.991 38.851 20.558 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.029 40.539 21.025 1.00 0.00 H new ATOM 251 N ALA A 17 29.418 41.176 17.923 1.00 0.00 N ATOM 252 CA ALA A 17 29.999 42.278 17.143 1.00 0.00 C ATOM 253 C ALA A 17 28.979 43.309 16.601 1.00 0.00 C ATOM 254 O ALA A 17 29.348 44.475 16.410 1.00 0.00 O ATOM 255 CB ALA A 17 30.818 41.660 16.000 1.00 0.00 C ATOM 0 H ALA A 17 29.173 40.369 17.349 1.00 0.00 H new ATOM 0 HA ALA A 17 30.624 42.861 17.819 1.00 0.00 H new ATOM 0 HB1 ALA A 17 31.263 42.454 15.401 1.00 0.00 H new ATOM 0 HB2 ALA A 17 31.607 41.033 16.415 1.00 0.00 H new ATOM 0 HB3 ALA A 17 30.166 41.054 15.371 1.00 0.00 H new ATOM 261 N LYS A 18 27.717 42.920 16.366 1.00 0.00 N ATOM 262 CA LYS A 18 26.615 43.800 15.928 1.00 0.00 C ATOM 263 C LYS A 18 25.271 43.418 16.562 1.00 0.00 C ATOM 264 O LYS A 18 24.894 42.244 16.583 1.00 0.00 O ATOM 265 CB LYS A 18 26.556 43.883 14.382 1.00 0.00 C ATOM 266 CG LYS A 18 25.943 42.648 13.698 1.00 0.00 C ATOM 267 CD LYS A 18 25.994 42.665 12.164 1.00 0.00 C ATOM 268 CE LYS A 18 27.422 42.522 11.621 1.00 0.00 C ATOM 269 NZ LYS A 18 27.436 42.106 10.197 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.422 41.950 16.479 1.00 0.00 H new ATOM 0 HA LYS A 18 26.828 44.805 16.294 1.00 0.00 H new ATOM 0 HB2 LYS A 18 25.978 44.763 14.100 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.566 44.030 14.000 1.00 0.00 H new ATOM 0 HG2 LYS A 18 26.463 41.758 14.054 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.903 42.556 14.011 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.378 41.855 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.562 43.597 11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.947 43.472 11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.965 41.790 12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 28.420 42.021 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 26.958 41.188 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 26.940 42.817 9.623 1.00 0.00 H new ATOM 283 N LEU A 19 24.552 44.416 17.083 1.00 0.00 N ATOM 284 CA LEU A 19 23.213 44.250 17.665 1.00 0.00 C ATOM 285 C LEU A 19 22.140 44.061 16.571 1.00 0.00 C ATOM 286 O LEU A 19 22.388 44.317 15.392 1.00 0.00 O ATOM 287 CB LEU A 19 22.887 45.454 18.570 1.00 0.00 C ATOM 288 CG LEU A 19 23.901 45.726 19.700 1.00 0.00 C ATOM 289 CD1 LEU A 19 23.467 46.957 20.491 1.00 0.00 C ATOM 290 CD2 LEU A 19 24.018 44.551 20.675 1.00 0.00 C ATOM 0 H LEU A 19 24.888 45.379 17.114 1.00 0.00 H new ATOM 0 HA LEU A 19 23.207 43.345 18.272 1.00 0.00 H new ATOM 0 HB2 LEU A 19 22.815 46.346 17.947 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.905 45.296 19.016 1.00 0.00 H new ATOM 0 HG LEU A 19 24.871 45.880 19.227 1.00 0.00 H new ATOM 0 HD11 LEU A 19 24.184 47.148 21.289 1.00 0.00 H new ATOM 0 HD12 LEU A 19 23.425 47.820 19.827 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.481 46.783 20.923 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.744 44.793 21.451 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.047 44.360 21.133 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.346 43.662 20.136 1.00 0.00 H new ATOM 302 N GLY A 20 20.939 43.611 16.943 1.00 0.00 N ATOM 303 CA GLY A 20 19.786 43.463 16.043 1.00 0.00 C ATOM 304 C GLY A 20 19.814 42.189 15.193 1.00 0.00 C ATOM 305 O GLY A 20 18.793 41.506 15.063 1.00 0.00 O ATOM 0 H GLY A 20 20.733 43.332 17.902 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.872 43.470 16.637 1.00 0.00 H new ATOM 0 HA3 GLY A 20 19.743 44.328 15.381 1.00 0.00 H new ATOM 309 N ASP A 21 20.975 41.836 14.643 1.00 0.00 N ATOM 310 CA ASP A 21 21.242 40.549 13.994 1.00 0.00 C ATOM 311 C ASP A 21 21.356 39.434 15.057 1.00 0.00 C ATOM 312 O ASP A 21 22.449 39.120 15.530 1.00 0.00 O ATOM 313 CB ASP A 21 22.526 40.621 13.141 1.00 0.00 C ATOM 314 CG ASP A 21 22.473 41.525 11.903 1.00 0.00 C ATOM 315 OD1 ASP A 21 22.864 41.051 10.811 1.00 0.00 O ATOM 316 OD2 ASP A 21 22.111 42.722 11.991 1.00 0.00 O1- ATOM 0 H ASP A 21 21.784 42.457 14.636 1.00 0.00 H new ATOM 0 HA ASP A 21 20.410 40.316 13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.341 40.963 13.779 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.777 39.611 12.816 1.00 0.00 H new ATOM 321 N ASN A 22 20.236 38.846 15.493 1.00 0.00 N ATOM 322 CA ASN A 22 20.250 37.862 16.588 1.00 0.00 C ATOM 323 C ASN A 22 20.899 36.508 16.221 1.00 0.00 C ATOM 324 O ASN A 22 21.315 35.783 17.127 1.00 0.00 O ATOM 325 CB ASN A 22 18.835 37.698 17.183 1.00 0.00 C ATOM 326 CG ASN A 22 17.764 37.295 16.187 1.00 0.00 C ATOM 327 OD1 ASN A 22 17.759 36.197 15.646 1.00 0.00 O ATOM 328 ND2 ASN A 22 16.799 38.147 15.950 1.00 0.00 N ATOM 0 H ASN A 22 19.310 39.032 15.108 1.00 0.00 H new ATOM 0 HA ASN A 22 20.905 38.268 17.359 1.00 0.00 H new ATOM 0 HB2 ASN A 22 18.874 36.949 17.974 1.00 0.00 H new ATOM 0 HB3 ASN A 22 18.542 38.639 17.649 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.042 37.896 15.314 1.00 0.00 H new ATOM 0 HD22 ASN A 22 16.804 39.062 16.401 1.00 0.00 H new ATOM 335 N ASP A 23 21.043 36.179 14.930 1.00 0.00 N ATOM 336 CA ASP A 23 21.446 34.844 14.451 1.00 0.00 C ATOM 337 C ASP A 23 22.771 34.324 15.043 1.00 0.00 C ATOM 338 O ASP A 23 22.858 33.146 15.391 1.00 0.00 O ATOM 339 CB ASP A 23 21.501 34.797 12.911 1.00 0.00 C ATOM 340 CG ASP A 23 22.645 35.591 12.263 1.00 0.00 C ATOM 341 OD1 ASP A 23 23.261 35.104 11.282 1.00 0.00 O ATOM 342 OD2 ASP A 23 22.944 36.723 12.701 1.00 0.00 O1- ATOM 0 H ASP A 23 20.880 36.843 14.173 1.00 0.00 H new ATOM 0 HA ASP A 23 20.668 34.172 14.814 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.584 33.756 12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.555 35.172 12.520 1.00 0.00 H new ATOM 347 N TYR A 24 23.780 35.187 15.217 1.00 0.00 N ATOM 348 CA TYR A 24 25.074 34.809 15.804 1.00 0.00 C ATOM 349 C TYR A 24 24.905 34.192 17.200 1.00 0.00 C ATOM 350 O TYR A 24 25.388 33.087 17.453 1.00 0.00 O ATOM 351 CB TYR A 24 26.006 36.035 15.844 1.00 0.00 C ATOM 352 CG TYR A 24 27.379 35.779 16.447 1.00 0.00 C ATOM 353 CD1 TYR A 24 28.460 35.424 15.615 1.00 0.00 C ATOM 354 CD2 TYR A 24 27.588 35.908 17.835 1.00 0.00 C ATOM 355 CE1 TYR A 24 29.736 35.186 16.167 1.00 0.00 C ATOM 356 CE2 TYR A 24 28.859 35.660 18.391 1.00 0.00 C ATOM 357 CZ TYR A 24 29.940 35.298 17.559 1.00 0.00 C ATOM 358 OH TYR A 24 31.181 35.098 18.081 1.00 0.00 O ATOM 0 H TYR A 24 23.723 36.171 14.954 1.00 0.00 H new ATOM 0 HA TYR A 24 25.527 34.043 15.174 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.136 36.407 14.828 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.517 36.826 16.413 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.310 35.334 14.549 1.00 0.00 H new ATOM 0 HD2 TYR A 24 26.769 36.199 18.476 1.00 0.00 H new ATOM 0 HE1 TYR A 24 30.560 34.917 15.522 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.006 35.747 19.457 1.00 0.00 H new ATOM 0 HH TYR A 24 31.149 35.214 19.054 1.00 0.00 H new ATOM 368 N CYS A 25 24.172 34.870 18.090 1.00 0.00 N ATOM 369 CA CYS A 25 23.890 34.368 19.435 1.00 0.00 C ATOM 370 C CYS A 25 22.797 33.291 19.466 1.00 0.00 C ATOM 371 O CYS A 25 22.822 32.463 20.373 1.00 0.00 O ATOM 372 CB CYS A 25 23.535 35.530 20.367 1.00 0.00 C ATOM 373 SG CYS A 25 24.939 36.602 20.764 1.00 0.00 S ATOM 0 H CYS A 25 23.759 35.782 17.896 1.00 0.00 H new ATOM 0 HA CYS A 25 24.800 33.883 19.787 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.752 36.129 19.903 1.00 0.00 H new ATOM 0 HB3 CYS A 25 23.123 35.128 21.293 1.00 0.00 H new ATOM 378 N VAL A 26 21.878 33.239 18.492 1.00 0.00 N ATOM 379 CA VAL A 26 20.939 32.109 18.362 1.00 0.00 C ATOM 380 C VAL A 26 21.704 30.804 18.137 1.00 0.00 C ATOM 381 O VAL A 26 21.458 29.851 18.878 1.00 0.00 O ATOM 382 CB VAL A 26 19.874 32.353 17.270 1.00 0.00 C ATOM 383 CG1 VAL A 26 19.057 31.098 16.929 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.881 33.423 17.734 1.00 0.00 C ATOM 0 H VAL A 26 21.762 33.963 17.783 1.00 0.00 H new ATOM 0 HA VAL A 26 20.391 32.022 19.300 1.00 0.00 H new ATOM 0 HB VAL A 26 20.426 32.664 16.383 1.00 0.00 H new ATOM 0 HG11 VAL A 26 18.327 31.338 16.156 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.725 30.316 16.568 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.538 30.748 17.821 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.134 33.588 16.957 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.387 33.090 18.647 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.414 34.354 17.928 1.00 0.00 H new ATOM 394 N ARG A 27 22.680 30.770 17.212 1.00 0.00 N ATOM 395 CA ARG A 27 23.544 29.600 16.970 1.00 0.00 C ATOM 396 C ARG A 27 24.307 29.171 18.219 1.00 0.00 C ATOM 397 O ARG A 27 24.243 28.012 18.619 1.00 0.00 O ATOM 398 CB ARG A 27 24.511 29.875 15.809 1.00 0.00 C ATOM 399 CG ARG A 27 23.769 29.874 14.469 1.00 0.00 C ATOM 400 CD ARG A 27 24.698 29.872 13.248 1.00 0.00 C ATOM 401 NE ARG A 27 25.537 31.079 13.150 1.00 0.00 N ATOM 402 CZ ARG A 27 25.203 32.245 12.627 1.00 0.00 C ATOM 403 NH1 ARG A 27 24.000 32.504 12.201 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 26.095 33.184 12.522 1.00 0.00 N ATOM 0 H ARG A 27 22.893 31.562 16.605 1.00 0.00 H new ATOM 0 HA ARG A 27 22.891 28.771 16.698 1.00 0.00 H new ATOM 0 HB2 ARG A 27 25.000 30.838 15.958 1.00 0.00 H new ATOM 0 HB3 ARG A 27 25.295 29.118 15.796 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.122 28.998 14.423 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.123 30.751 14.421 1.00 0.00 H new ATOM 0 HD2 ARG A 27 25.342 28.993 13.292 1.00 0.00 H new ATOM 0 HD3 ARG A 27 24.097 29.782 12.343 1.00 0.00 H new ATOM 0 HE ARG A 27 26.481 31.006 13.528 1.00 0.00 H new ATOM 0 HH11 ARG A 27 23.272 31.792 12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.786 33.419 11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 27 27.049 33.019 12.843 1.00 0.00 H new ATOM 0 HH22 ARG A 27 25.841 34.086 12.119 1.00 0.00 H new ATOM 418 N GLU A 28 24.973 30.099 18.898 1.00 0.00 N ATOM 419 CA GLU A 28 25.696 29.740 20.122 1.00 0.00 C ATOM 420 C GLU A 28 24.754 29.339 21.273 1.00 0.00 C ATOM 421 O GLU A 28 25.114 28.458 22.050 1.00 0.00 O ATOM 422 CB GLU A 28 26.635 30.874 20.550 1.00 0.00 C ATOM 423 CG GLU A 28 27.650 31.329 19.481 1.00 0.00 C ATOM 424 CD GLU A 28 28.390 30.176 18.783 1.00 0.00 C ATOM 425 OE1 GLU A 28 29.012 29.348 19.487 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.389 30.104 17.528 1.00 0.00 O1- ATOM 0 H GLU A 28 25.030 31.083 18.634 1.00 0.00 H new ATOM 0 HA GLU A 28 26.295 28.859 19.889 1.00 0.00 H new ATOM 0 HB2 GLU A 28 26.031 31.733 20.842 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.184 30.554 21.436 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.128 31.919 18.728 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.383 31.986 19.949 1.00 0.00 H new ATOM 433 N CYS A 29 23.542 29.904 21.385 1.00 0.00 N ATOM 434 CA CYS A 29 22.584 29.569 22.446 1.00 0.00 C ATOM 435 C CYS A 29 21.934 28.188 22.236 1.00 0.00 C ATOM 436 O CYS A 29 21.888 27.379 23.169 1.00 0.00 O ATOM 437 CB CYS A 29 21.518 30.666 22.556 1.00 0.00 C ATOM 438 SG CYS A 29 20.403 30.406 23.960 1.00 0.00 S ATOM 0 H CYS A 29 23.198 30.612 20.736 1.00 0.00 H new ATOM 0 HA CYS A 29 23.137 29.513 23.384 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.007 31.635 22.658 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.937 30.698 21.635 1.00 0.00 H new ATOM 443 N ARG A 30 21.503 27.876 21.001 1.00 0.00 N ATOM 444 CA ARG A 30 20.961 26.555 20.624 1.00 0.00 C ATOM 445 C ARG A 30 21.990 25.424 20.741 1.00 0.00 C ATOM 446 O ARG A 30 21.609 24.261 20.882 1.00 0.00 O ATOM 447 CB ARG A 30 20.288 26.622 19.247 1.00 0.00 C ATOM 448 CG ARG A 30 21.265 26.658 18.067 1.00 0.00 C ATOM 449 CD ARG A 30 20.520 26.705 16.732 1.00 0.00 C ATOM 450 NE ARG A 30 19.834 25.432 16.452 1.00 0.00 N ATOM 451 CZ ARG A 30 20.396 24.328 15.988 1.00 0.00 C ATOM 452 NH1 ARG A 30 21.684 24.221 15.826 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 19.680 23.289 15.686 1.00 0.00 N ATOM 0 H ARG A 30 21.521 28.540 20.227 1.00 0.00 H new ATOM 0 HA ARG A 30 20.191 26.297 21.351 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.632 25.759 19.134 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.656 27.509 19.207 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.914 27.530 18.155 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.908 25.778 18.097 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.792 27.516 16.749 1.00 0.00 H new ATOM 0 HD3 ARG A 30 21.224 26.925 15.929 1.00 0.00 H new ATOM 0 HE ARG A 30 18.831 25.399 16.633 1.00 0.00 H new ATOM 0 HH11 ARG A 30 22.294 25.004 16.060 1.00 0.00 H new ATOM 0 HH12 ARG A 30 22.082 23.354 15.466 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.667 23.315 15.805 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.130 22.446 15.329 1.00 0.00 H new ATOM 467 N LEU A 31 23.286 25.756 20.716 1.00 0.00 N ATOM 468 CA LEU A 31 24.367 24.820 21.034 1.00 0.00 C ATOM 469 C LEU A 31 24.687 24.787 22.539 1.00 0.00 C ATOM 470 O LEU A 31 24.936 23.703 23.071 1.00 0.00 O ATOM 471 CB LEU A 31 25.603 25.159 20.185 1.00 0.00 C ATOM 472 CG LEU A 31 25.414 24.960 18.665 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.646 25.484 17.927 1.00 0.00 C ATOM 474 CD2 LEU A 31 25.219 23.491 18.288 1.00 0.00 C ATOM 0 H LEU A 31 23.615 26.690 20.472 1.00 0.00 H new ATOM 0 HA LEU A 31 24.037 23.812 20.783 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.881 26.196 20.370 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.437 24.541 20.518 1.00 0.00 H new ATOM 0 HG LEU A 31 24.516 25.508 18.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.514 25.344 16.854 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.775 26.545 18.142 1.00 0.00 H new ATOM 0 HD13 LEU A 31 27.529 24.937 18.258 1.00 0.00 H new ATOM 0 HD21 LEU A 31 25.091 23.406 17.209 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.093 22.917 18.596 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.334 23.101 18.790 1.00 0.00 H new ATOM 486 N ARG A 32 24.628 25.929 23.245 1.00 0.00 N ATOM 487 CA ARG A 32 24.900 26.043 24.693 1.00 0.00 C ATOM 488 C ARG A 32 23.959 25.184 25.531 1.00 0.00 C ATOM 489 O ARG A 32 24.438 24.424 26.375 1.00 0.00 O ATOM 490 CB ARG A 32 24.799 27.517 25.140 1.00 0.00 C ATOM 491 CG ARG A 32 25.194 27.772 26.607 1.00 0.00 C ATOM 492 CD ARG A 32 26.598 27.286 26.983 1.00 0.00 C ATOM 493 NE ARG A 32 27.606 27.602 25.955 1.00 0.00 N ATOM 494 CZ ARG A 32 28.887 27.306 25.997 1.00 0.00 C ATOM 495 NH1 ARG A 32 29.460 26.789 27.038 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 29.616 27.521 24.949 1.00 0.00 N ATOM 0 H ARG A 32 24.384 26.822 22.816 1.00 0.00 H new ATOM 0 HA ARG A 32 25.913 25.675 24.858 1.00 0.00 H new ATOM 0 HB2 ARG A 32 25.436 28.123 24.496 1.00 0.00 H new ATOM 0 HB3 ARG A 32 23.775 27.859 24.989 1.00 0.00 H new ATOM 0 HG2 ARG A 32 25.128 28.842 26.807 1.00 0.00 H new ATOM 0 HG3 ARG A 32 24.468 27.282 27.256 1.00 0.00 H new ATOM 0 HD2 ARG A 32 26.894 27.741 27.928 1.00 0.00 H new ATOM 0 HD3 ARG A 32 26.574 26.208 27.142 1.00 0.00 H new ATOM 0 HE ARG A 32 27.277 28.100 25.128 1.00 0.00 H new ATOM 0 HH11 ARG A 32 28.913 26.593 27.877 1.00 0.00 H new ATOM 0 HH12 ARG A 32 30.458 26.578 27.019 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.195 27.914 24.107 1.00 0.00 H new ATOM 0 HH22 ARG A 32 30.611 27.297 24.965 1.00 0.00 H new ATOM 510 N TYR A 33 22.658 25.328 25.280 1.00 0.00 N ATOM 511 CA TYR A 33 21.574 24.654 25.994 1.00 0.00 C ATOM 512 C TYR A 33 21.011 23.501 25.149 1.00 0.00 C ATOM 513 O TYR A 33 21.539 22.389 25.195 1.00 0.00 O ATOM 514 CB TYR A 33 20.523 25.686 26.458 1.00 0.00 C ATOM 515 CG TYR A 33 21.065 26.719 27.433 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.218 26.377 28.791 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.448 27.999 26.985 1.00 0.00 C ATOM 518 CE1 TYR A 33 21.780 27.299 29.694 1.00 0.00 C ATOM 519 CE2 TYR A 33 22.000 28.929 27.891 1.00 0.00 C ATOM 520 CZ TYR A 33 22.175 28.576 29.245 1.00 0.00 C ATOM 521 OH TYR A 33 22.739 29.452 30.118 1.00 0.00 O ATOM 0 H TYR A 33 22.316 25.944 24.542 1.00 0.00 H new ATOM 0 HA TYR A 33 21.951 24.187 26.904 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.122 26.200 25.584 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.692 25.159 26.927 1.00 0.00 H new ATOM 0 HD1 TYR A 33 20.903 25.405 29.140 1.00 0.00 H new ATOM 0 HD2 TYR A 33 21.319 28.268 25.947 1.00 0.00 H new ATOM 0 HE1 TYR A 33 21.909 27.028 30.732 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.289 29.911 27.548 1.00 0.00 H new ATOM 0 HH TYR A 33 22.955 30.286 29.651 1.00 0.00 H new ATOM 531 N TYR A 34 19.991 23.759 24.326 1.00 0.00 N ATOM 532 CA TYR A 34 19.300 22.763 23.497 1.00 0.00 C ATOM 533 C TYR A 34 18.839 23.368 22.166 1.00 0.00 C ATOM 534 O TYR A 34 18.600 24.571 22.067 1.00 0.00 O ATOM 535 CB TYR A 34 18.127 22.144 24.279 1.00 0.00 C ATOM 536 CG TYR A 34 17.262 23.109 25.077 1.00 0.00 C ATOM 537 CD1 TYR A 34 17.525 23.316 26.445 1.00 0.00 C ATOM 538 CD2 TYR A 34 16.190 23.787 24.463 1.00 0.00 C ATOM 539 CE1 TYR A 34 16.730 24.206 27.192 1.00 0.00 C ATOM 540 CE2 TYR A 34 15.378 24.662 25.213 1.00 0.00 C ATOM 541 CZ TYR A 34 15.651 24.876 26.581 1.00 0.00 C ATOM 542 OH TYR A 34 14.850 25.681 27.326 1.00 0.00 O ATOM 0 H TYR A 34 19.609 24.698 24.213 1.00 0.00 H new ATOM 0 HA TYR A 34 20.003 21.966 23.255 1.00 0.00 H new ATOM 0 HB2 TYR A 34 17.487 21.615 23.573 1.00 0.00 H new ATOM 0 HB3 TYR A 34 18.529 21.398 24.965 1.00 0.00 H new ATOM 0 HD1 TYR A 34 18.339 22.791 26.922 1.00 0.00 H new ATOM 0 HD2 TYR A 34 15.989 23.636 23.413 1.00 0.00 H new ATOM 0 HE1 TYR A 34 16.948 24.376 28.236 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.548 25.168 24.741 1.00 0.00 H new ATOM 0 HH TYR A 34 14.154 26.069 26.755 1.00 0.00 H new ATOM 552 N GLN A 35 18.708 22.538 21.130 1.00 0.00 N ATOM 553 CA GLN A 35 18.485 22.957 19.737 1.00 0.00 C ATOM 554 C GLN A 35 17.243 23.835 19.505 1.00 0.00 C ATOM 555 O GLN A 35 17.263 24.691 18.621 1.00 0.00 O ATOM 556 CB GLN A 35 18.473 21.712 18.834 1.00 0.00 C ATOM 557 CG GLN A 35 17.207 20.836 18.812 1.00 0.00 C ATOM 558 CD GLN A 35 16.888 20.147 20.130 1.00 0.00 C ATOM 559 OE1 GLN A 35 16.474 20.768 21.098 1.00 0.00 O ATOM 560 NE2 GLN A 35 17.045 18.849 20.229 1.00 0.00 N ATOM 0 H GLN A 35 18.755 21.525 21.236 1.00 0.00 H new ATOM 0 HA GLN A 35 19.316 23.613 19.476 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.667 22.040 17.813 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.310 21.079 19.130 1.00 0.00 H new ATOM 0 HG2 GLN A 35 16.357 21.456 18.527 1.00 0.00 H new ATOM 0 HG3 GLN A 35 17.321 20.076 18.039 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.389 18.315 19.431 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.823 18.374 21.104 1.00 0.00 H new ATOM 569 N SER A 36 16.189 23.665 20.311 1.00 0.00 N ATOM 570 CA SER A 36 14.959 24.472 20.286 1.00 0.00 C ATOM 571 C SER A 36 15.025 25.777 21.112 1.00 0.00 C ATOM 572 O SER A 36 14.007 26.458 21.251 1.00 0.00 O ATOM 573 CB SER A 36 13.769 23.590 20.696 1.00 0.00 C ATOM 574 OG SER A 36 13.925 23.041 21.997 1.00 0.00 O ATOM 0 H SER A 36 16.166 22.937 21.025 1.00 0.00 H new ATOM 0 HA SER A 36 14.828 24.820 19.261 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.853 24.181 20.661 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.654 22.781 19.975 1.00 0.00 H new ATOM 0 HG SER A 36 13.145 22.490 22.215 1.00 0.00 H new ATOM 580 N ALA A 37 16.186 26.150 21.669 1.00 0.00 N ATOM 581 CA ALA A 37 16.377 27.416 22.394 1.00 0.00 C ATOM 582 C ALA A 37 16.375 28.678 21.492 1.00 0.00 C ATOM 583 O ALA A 37 16.540 28.598 20.271 1.00 0.00 O ATOM 584 CB ALA A 37 17.672 27.337 23.216 1.00 0.00 C ATOM 0 H ALA A 37 17.028 25.576 21.629 1.00 0.00 H new ATOM 0 HA ALA A 37 15.513 27.535 23.048 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.818 28.273 23.755 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.601 26.515 23.928 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.517 27.167 22.549 1.00 0.00 H new ATOM 590 N HIS A 38 16.250 29.863 22.105 1.00 0.00 N ATOM 591 CA HIS A 38 16.236 31.184 21.445 1.00 0.00 C ATOM 592 C HIS A 38 17.175 32.185 22.144 1.00 0.00 C ATOM 593 O HIS A 38 17.622 31.942 23.264 1.00 0.00 O ATOM 594 CB HIS A 38 14.804 31.744 21.414 1.00 0.00 C ATOM 595 CG HIS A 38 13.763 30.798 20.880 1.00 0.00 C ATOM 596 ND1 HIS A 38 12.837 30.104 21.662 1.00 0.00 N ATOM 597 CD2 HIS A 38 13.564 30.474 19.571 1.00 0.00 C ATOM 598 CE1 HIS A 38 12.138 29.337 20.812 1.00 0.00 C ATOM 599 NE2 HIS A 38 12.543 29.555 19.550 1.00 0.00 N ATOM 0 H HIS A 38 16.151 29.935 23.118 1.00 0.00 H new ATOM 0 HA HIS A 38 16.597 31.046 20.426 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.522 32.037 22.425 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.797 32.649 20.806 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.102 30.863 18.719 1.00 0.00 H new ATOM 0 HE1 HIS A 38 11.362 28.644 21.101 1.00 0.00 H new ATOM 0 HE2 HIS A 38 12.157 29.112 18.716 1.00 0.00 H new ATOM 607 N GLY A 39 17.484 33.316 21.498 1.00 0.00 N ATOM 608 CA GLY A 39 18.341 34.364 22.070 1.00 0.00 C ATOM 609 C GLY A 39 18.538 35.586 21.165 1.00 0.00 C ATOM 610 O GLY A 39 17.952 35.665 20.085 1.00 0.00 O ATOM 0 H GLY A 39 17.146 33.532 20.560 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.910 34.693 23.015 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.317 33.934 22.297 1.00 0.00 H new ATOM 614 N TYR A 40 19.359 36.544 21.605 1.00 0.00 N ATOM 615 CA TYR A 40 19.767 37.746 20.859 1.00 0.00 C ATOM 616 C TYR A 40 21.060 38.369 21.423 1.00 0.00 C ATOM 617 O TYR A 40 21.624 37.872 22.398 1.00 0.00 O ATOM 618 CB TYR A 40 18.607 38.766 20.818 1.00 0.00 C ATOM 619 CG TYR A 40 17.949 39.158 22.136 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.644 39.906 23.111 1.00 0.00 C ATOM 621 CD2 TYR A 40 16.593 38.843 22.348 1.00 0.00 C ATOM 622 CE1 TYR A 40 17.987 40.327 24.285 1.00 0.00 C ATOM 623 CE2 TYR A 40 15.935 39.260 23.519 1.00 0.00 C ATOM 624 CZ TYR A 40 16.630 39.998 24.496 1.00 0.00 C ATOM 625 OH TYR A 40 15.990 40.379 25.629 1.00 0.00 O ATOM 0 H TYR A 40 19.779 36.504 22.534 1.00 0.00 H new ATOM 0 HA TYR A 40 19.996 37.446 19.836 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.980 39.676 20.348 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.832 38.364 20.165 1.00 0.00 H new ATOM 0 HD1 TYR A 40 19.683 40.157 22.957 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.053 38.276 21.604 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.523 40.903 25.025 1.00 0.00 H new ATOM 0 HE2 TYR A 40 14.894 39.014 23.669 1.00 0.00 H new ATOM 0 HH TYR A 40 15.062 40.066 25.601 1.00 0.00 H new ATOM 635 N CYS A 41 21.544 39.457 20.810 1.00 0.00 N ATOM 636 CA CYS A 41 22.622 40.284 21.363 1.00 0.00 C ATOM 637 C CYS A 41 22.050 41.458 22.181 1.00 0.00 C ATOM 638 O CYS A 41 21.084 42.096 21.760 1.00 0.00 O ATOM 639 CB CYS A 41 23.535 40.803 20.243 1.00 0.00 C ATOM 640 SG CYS A 41 24.345 39.523 19.248 1.00 0.00 S ATOM 0 H CYS A 41 21.196 39.789 19.911 1.00 0.00 H new ATOM 0 HA CYS A 41 23.216 39.661 22.032 1.00 0.00 H new ATOM 0 HB2 CYS A 41 22.945 41.436 19.580 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.304 41.435 20.687 1.00 0.00 H new ATOM 645 N TYR A 42 22.678 41.774 23.312 1.00 0.00 N ATOM 646 CA TYR A 42 22.424 42.954 24.151 1.00 0.00 C ATOM 647 C TYR A 42 23.736 43.380 24.827 1.00 0.00 C ATOM 648 O TYR A 42 24.494 42.520 25.289 1.00 0.00 O ATOM 649 CB TYR A 42 21.333 42.653 25.196 1.00 0.00 C ATOM 650 CG TYR A 42 21.354 43.604 26.383 1.00 0.00 C ATOM 651 CD1 TYR A 42 20.832 44.905 26.267 1.00 0.00 C ATOM 652 CD2 TYR A 42 21.970 43.208 27.586 1.00 0.00 C ATOM 653 CE1 TYR A 42 20.959 45.819 27.335 1.00 0.00 C ATOM 654 CE2 TYR A 42 22.101 44.116 28.653 1.00 0.00 C ATOM 655 CZ TYR A 42 21.613 45.433 28.524 1.00 0.00 C ATOM 656 OH TYR A 42 21.780 46.325 29.539 1.00 0.00 O ATOM 0 H TYR A 42 23.419 41.185 23.692 1.00 0.00 H new ATOM 0 HA TYR A 42 22.062 43.773 23.529 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.356 42.705 24.716 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.457 41.632 25.556 1.00 0.00 H new ATOM 0 HD1 TYR A 42 20.332 45.205 25.358 1.00 0.00 H new ATOM 0 HD2 TYR A 42 22.344 42.200 27.690 1.00 0.00 H new ATOM 0 HE1 TYR A 42 20.555 46.816 27.242 1.00 0.00 H new ATOM 0 HE2 TYR A 42 22.576 43.804 29.572 1.00 0.00 H new ATOM 0 HH TYR A 42 22.249 45.891 30.282 1.00 0.00 H new ATOM 666 N ALA A 43 24.023 44.686 24.866 1.00 0.00 N ATOM 667 CA ALA A 43 25.257 45.246 25.431 1.00 0.00 C ATOM 668 C ALA A 43 26.533 44.564 24.878 1.00 0.00 C ATOM 669 O ALA A 43 27.429 44.176 25.629 1.00 0.00 O ATOM 670 CB ALA A 43 25.150 45.264 26.965 1.00 0.00 C ATOM 0 H ALA A 43 23.392 45.398 24.498 1.00 0.00 H new ATOM 0 HA ALA A 43 25.367 46.280 25.105 1.00 0.00 H new ATOM 0 HB1 ALA A 43 26.064 45.679 27.389 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.300 45.878 27.263 1.00 0.00 H new ATOM 0 HB3 ALA A 43 25.009 44.247 27.332 1.00 0.00 H new ATOM 676 N PHE A 44 26.576 44.344 23.555 1.00 0.00 N ATOM 677 CA PHE A 44 27.677 43.675 22.838 1.00 0.00 C ATOM 678 C PHE A 44 28.028 42.270 23.372 1.00 0.00 C ATOM 679 O PHE A 44 29.164 41.813 23.257 1.00 0.00 O ATOM 680 CB PHE A 44 28.885 44.620 22.712 1.00 0.00 C ATOM 681 CG PHE A 44 28.541 45.929 22.029 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.169 47.052 22.797 1.00 0.00 C ATOM 683 CD2 PHE A 44 28.525 45.997 20.621 1.00 0.00 C ATOM 684 CE1 PHE A 44 27.759 48.236 22.160 1.00 0.00 C ATOM 685 CE2 PHE A 44 28.121 47.181 19.979 1.00 0.00 C ATOM 686 CZ PHE A 44 27.732 48.291 20.753 1.00 0.00 C ATOM 0 H PHE A 44 25.822 44.636 22.933 1.00 0.00 H new ATOM 0 HA PHE A 44 27.320 43.463 21.830 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.283 44.828 23.705 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.674 44.120 22.151 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.199 47.002 23.875 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.823 45.140 20.035 1.00 0.00 H new ATOM 0 HE1 PHE A 44 27.467 49.096 22.744 1.00 0.00 H new ATOM 0 HE2 PHE A 44 28.109 47.239 18.901 1.00 0.00 H new ATOM 0 HZ PHE A 44 27.409 49.197 20.261 1.00 0.00 H new ATOM 696 N ALA A 45 27.055 41.554 23.935 1.00 0.00 N ATOM 697 CA ALA A 45 27.185 40.174 24.392 1.00 0.00 C ATOM 698 C ALA A 45 25.883 39.397 24.156 1.00 0.00 C ATOM 699 O ALA A 45 24.832 39.991 23.904 1.00 0.00 O ATOM 700 CB ALA A 45 27.618 40.185 25.865 1.00 0.00 C ATOM 0 H ALA A 45 26.121 41.935 24.090 1.00 0.00 H new ATOM 0 HA ALA A 45 27.950 39.653 23.817 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.720 39.160 26.222 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.575 40.699 25.959 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.867 40.704 26.461 1.00 0.00 H new ATOM 706 N CYS A 46 25.937 38.069 24.203 1.00 0.00 N ATOM 707 CA CYS A 46 24.747 37.240 24.030 1.00 0.00 C ATOM 708 C CYS A 46 23.785 37.300 25.232 1.00 0.00 C ATOM 709 O CYS A 46 24.152 37.670 26.350 1.00 0.00 O ATOM 710 CB CYS A 46 25.152 35.798 23.695 1.00 0.00 C ATOM 711 SG CYS A 46 26.056 35.586 22.136 1.00 0.00 S ATOM 0 H CYS A 46 26.796 37.542 24.360 1.00 0.00 H new ATOM 0 HA CYS A 46 24.186 37.651 23.190 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.768 35.413 24.508 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.252 35.185 23.660 1.00 0.00 H new ATOM 716 N TRP A 47 22.542 36.894 24.975 1.00 0.00 N ATOM 717 CA TRP A 47 21.462 36.683 25.937 1.00 0.00 C ATOM 718 C TRP A 47 20.520 35.606 25.373 1.00 0.00 C ATOM 719 O TRP A 47 20.183 35.647 24.189 1.00 0.00 O ATOM 720 CB TRP A 47 20.737 38.017 26.150 1.00 0.00 C ATOM 721 CG TRP A 47 19.609 38.020 27.132 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.298 37.981 26.811 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.658 38.107 28.593 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.534 38.090 27.955 1.00 0.00 N ATOM 725 CE2 TRP A 47 18.320 38.183 29.083 1.00 0.00 C ATOM 726 CE3 TRP A 47 20.695 38.184 29.551 1.00 0.00 C ATOM 727 CZ2 TRP A 47 18.026 38.350 30.445 1.00 0.00 C ATOM 728 CZ3 TRP A 47 20.411 38.334 30.924 1.00 0.00 C ATOM 729 CH2 TRP A 47 19.080 38.421 31.371 1.00 0.00 C ATOM 0 H TRP A 47 22.243 36.690 24.022 1.00 0.00 H new ATOM 0 HA TRP A 47 21.839 36.341 26.901 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.471 38.755 26.473 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.351 38.352 25.187 1.00 0.00 H new ATOM 0 HD1 TRP A 47 17.906 37.880 25.810 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.514 38.100 27.964 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.723 38.127 29.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 17.001 38.423 30.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.221 38.382 31.637 1.00 0.00 H new ATOM 0 HH2 TRP A 47 18.869 38.542 32.423 1.00 0.00 H new ATOM 740 N CYS A 48 20.135 34.617 26.178 1.00 0.00 N ATOM 741 CA CYS A 48 19.224 33.538 25.788 1.00 0.00 C ATOM 742 C CYS A 48 17.808 33.789 26.333 1.00 0.00 C ATOM 743 O CYS A 48 17.641 34.336 27.425 1.00 0.00 O ATOM 744 CB CYS A 48 19.764 32.206 26.309 1.00 0.00 C ATOM 745 SG CYS A 48 21.214 31.501 25.479 1.00 0.00 S ATOM 0 H CYS A 48 20.455 34.540 27.144 1.00 0.00 H new ATOM 0 HA CYS A 48 19.163 33.506 24.700 1.00 0.00 H new ATOM 0 HB2 CYS A 48 20.010 32.333 27.363 1.00 0.00 H new ATOM 0 HB3 CYS A 48 18.958 31.474 26.256 1.00 0.00 H new ATOM 750 N THR A 49 16.780 33.349 25.606 1.00 0.00 N ATOM 751 CA THR A 49 15.372 33.651 25.917 1.00 0.00 C ATOM 752 C THR A 49 14.478 32.416 25.856 1.00 0.00 C ATOM 753 O THR A 49 14.799 31.410 25.215 1.00 0.00 O ATOM 754 CB THR A 49 14.810 34.767 25.019 1.00 0.00 C ATOM 755 OG1 THR A 49 14.676 34.350 23.681 1.00 0.00 O ATOM 756 CG2 THR A 49 15.662 36.035 25.044 1.00 0.00 C ATOM 0 H THR A 49 16.897 32.767 24.776 1.00 0.00 H new ATOM 0 HA THR A 49 15.366 34.008 26.947 1.00 0.00 H new ATOM 0 HB THR A 49 13.828 34.994 25.435 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.753 34.065 23.518 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.216 36.786 24.392 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.710 36.421 26.062 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.669 35.804 24.696 1.00 0.00 H new ATOM 764 N HIS A 50 13.339 32.489 26.549 1.00 0.00 N ATOM 765 CA HIS A 50 12.328 31.423 26.624 1.00 0.00 C ATOM 766 C HIS A 50 12.882 30.088 27.163 1.00 0.00 C ATOM 767 O HIS A 50 12.380 29.012 26.811 1.00 0.00 O ATOM 768 CB HIS A 50 11.583 31.267 25.282 1.00 0.00 C ATOM 769 CG HIS A 50 10.947 32.525 24.739 1.00 0.00 C ATOM 770 ND1 HIS A 50 11.615 33.559 24.072 1.00 0.00 N ATOM 771 CD2 HIS A 50 9.610 32.786 24.729 1.00 0.00 C ATOM 772 CE1 HIS A 50 10.658 34.438 23.720 1.00 0.00 C ATOM 773 NE2 HIS A 50 9.446 33.987 24.075 1.00 0.00 N ATOM 0 H HIS A 50 13.084 33.315 27.091 1.00 0.00 H new ATOM 0 HA HIS A 50 11.595 31.738 27.367 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.284 30.886 24.540 1.00 0.00 H new ATOM 0 HB3 HIS A 50 10.806 30.512 25.404 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.830 32.170 25.152 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.841 35.378 23.220 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.557 34.453 23.892 1.00 0.00 H new ATOM 781 N LEU A 51 13.943 30.107 27.976 1.00 0.00 N ATOM 782 CA LEU A 51 14.573 28.904 28.534 1.00 0.00 C ATOM 783 C LEU A 51 13.737 28.283 29.665 1.00 0.00 C ATOM 784 O LEU A 51 12.817 28.907 30.204 1.00 0.00 O ATOM 785 CB LEU A 51 15.996 29.200 29.050 1.00 0.00 C ATOM 786 CG LEU A 51 17.009 29.775 28.046 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.330 29.978 28.791 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.263 28.837 26.864 1.00 0.00 C ATOM 0 H LEU A 51 14.396 30.972 28.270 1.00 0.00 H new ATOM 0 HA LEU A 51 14.632 28.185 27.717 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.914 29.899 29.882 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.408 28.274 29.451 1.00 0.00 H new ATOM 0 HG LEU A 51 16.605 30.705 27.646 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.074 30.386 28.107 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.178 30.671 29.618 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.680 29.021 29.179 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.986 29.292 26.187 1.00 0.00 H new ATOM 0 HD22 LEU A 51 17.656 27.889 27.230 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.328 28.661 26.332 1.00 0.00 H new ATOM 800 N TYR A 52 14.069 27.041 30.013 1.00 0.00 N ATOM 801 CA TYR A 52 13.579 26.320 31.192 1.00 0.00 C ATOM 802 C TYR A 52 14.021 26.920 32.541 1.00 0.00 C ATOM 803 O TYR A 52 14.930 27.748 32.624 1.00 0.00 O ATOM 804 CB TYR A 52 14.020 24.848 31.081 1.00 0.00 C ATOM 805 CG TYR A 52 15.498 24.488 30.954 1.00 0.00 C ATOM 806 CD1 TYR A 52 16.547 25.438 30.951 1.00 0.00 C ATOM 807 CD2 TYR A 52 15.811 23.123 30.808 1.00 0.00 C ATOM 808 CE1 TYR A 52 17.882 25.025 30.786 1.00 0.00 C ATOM 809 CE2 TYR A 52 17.146 22.707 30.657 1.00 0.00 C ATOM 810 CZ TYR A 52 18.185 23.658 30.642 1.00 0.00 C ATOM 811 OH TYR A 52 19.472 23.254 30.512 1.00 0.00 O ATOM 0 H TYR A 52 14.716 26.482 29.457 1.00 0.00 H new ATOM 0 HA TYR A 52 12.493 26.409 31.193 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.638 24.331 31.961 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.510 24.424 30.216 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.321 26.487 31.076 1.00 0.00 H new ATOM 0 HD2 TYR A 52 15.019 22.389 30.812 1.00 0.00 H new ATOM 0 HE1 TYR A 52 18.675 25.758 30.770 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.375 21.657 30.552 1.00 0.00 H new ATOM 0 HH TYR A 52 19.501 22.278 30.424 1.00 0.00 H new ATOM 821 N GLU A 53 13.432 26.427 33.633 1.00 0.00 N ATOM 822 CA GLU A 53 13.826 26.782 35.008 1.00 0.00 C ATOM 823 C GLU A 53 15.275 26.360 35.361 1.00 0.00 C ATOM 824 O GLU A 53 15.872 26.936 36.274 1.00 0.00 O ATOM 825 CB GLU A 53 12.836 26.140 36.000 1.00 0.00 C ATOM 826 CG GLU A 53 11.373 26.609 35.858 1.00 0.00 C ATOM 827 CD GLU A 53 11.120 28.049 36.331 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.308 28.765 35.687 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.678 28.466 37.374 1.00 0.00 O1- ATOM 0 H GLU A 53 12.659 25.763 33.592 1.00 0.00 H new ATOM 0 HA GLU A 53 13.796 27.869 35.080 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.869 25.058 35.873 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.173 26.352 37.015 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.077 26.526 34.812 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.731 25.935 36.425 1.00 0.00 H new ATOM 836 N GLN A 54 15.876 25.405 34.635 1.00 0.00 N ATOM 837 CA GLN A 54 17.266 24.952 34.847 1.00 0.00 C ATOM 838 C GLN A 54 18.347 25.908 34.272 1.00 0.00 C ATOM 839 O GLN A 54 19.529 25.565 34.264 1.00 0.00 O ATOM 840 CB GLN A 54 17.459 23.523 34.291 1.00 0.00 C ATOM 841 CG GLN A 54 16.590 22.422 34.936 1.00 0.00 C ATOM 842 CD GLN A 54 17.116 21.009 34.644 1.00 0.00 C ATOM 843 OE1 GLN A 54 16.449 20.154 34.071 1.00 0.00 O ATOM 844 NE2 GLN A 54 18.337 20.701 35.013 1.00 0.00 N ATOM 0 H GLN A 54 15.406 24.917 33.873 1.00 0.00 H new ATOM 0 HA GLN A 54 17.415 24.955 35.927 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.253 23.540 33.221 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.507 23.247 34.410 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.555 22.577 36.014 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.568 22.509 34.568 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.915 21.392 35.491 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.708 19.770 34.821 1.00 0.00 H new ATOM 853 N ALA A 55 17.977 27.087 33.754 1.00 0.00 N ATOM 854 CA ALA A 55 18.901 28.015 33.092 1.00 0.00 C ATOM 855 C ALA A 55 19.970 28.650 34.015 1.00 0.00 C ATOM 856 O ALA A 55 19.731 28.906 35.201 1.00 0.00 O ATOM 857 CB ALA A 55 18.075 29.109 32.407 1.00 0.00 C ATOM 0 H ALA A 55 17.016 27.426 33.784 1.00 0.00 H new ATOM 0 HA ALA A 55 19.473 27.427 32.374 1.00 0.00 H new ATOM 0 HB1 ALA A 55 18.743 29.811 31.908 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.410 28.656 31.672 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.484 29.639 33.153 1.00 0.00 H new ATOM 863 N VAL A 56 21.141 28.969 33.449 1.00 0.00 N ATOM 864 CA VAL A 56 22.162 29.807 34.102 1.00 0.00 C ATOM 865 C VAL A 56 21.794 31.273 33.893 1.00 0.00 C ATOM 866 O VAL A 56 21.448 31.680 32.782 1.00 0.00 O ATOM 867 CB VAL A 56 23.584 29.482 33.604 1.00 0.00 C ATOM 868 CG1 VAL A 56 24.636 30.521 34.016 1.00 0.00 C ATOM 869 CG2 VAL A 56 24.018 28.133 34.183 1.00 0.00 C ATOM 0 H VAL A 56 21.411 28.652 32.518 1.00 0.00 H new ATOM 0 HA VAL A 56 22.176 29.593 35.171 1.00 0.00 H new ATOM 0 HB VAL A 56 23.532 29.475 32.515 1.00 0.00 H new ATOM 0 HG11 VAL A 56 25.611 30.224 33.630 1.00 0.00 H new ATOM 0 HG12 VAL A 56 24.365 31.495 33.608 1.00 0.00 H new ATOM 0 HG13 VAL A 56 24.680 30.583 35.103 1.00 0.00 H new ATOM 0 HG21 VAL A 56 25.023 27.895 33.836 1.00 0.00 H new ATOM 0 HG22 VAL A 56 24.013 28.186 35.272 1.00 0.00 H new ATOM 0 HG23 VAL A 56 23.327 27.357 33.854 1.00 0.00 H new ATOM 879 N VAL A 57 21.853 32.072 34.962 1.00 0.00 N ATOM 880 CA VAL A 57 21.409 33.473 34.967 1.00 0.00 C ATOM 881 C VAL A 57 22.438 34.368 35.649 1.00 0.00 C ATOM 882 O VAL A 57 23.004 33.985 36.673 1.00 0.00 O ATOM 883 CB VAL A 57 19.998 33.629 35.573 1.00 0.00 C ATOM 884 CG1 VAL A 57 18.951 32.807 34.812 1.00 0.00 C ATOM 885 CG2 VAL A 57 19.900 33.241 37.055 1.00 0.00 C ATOM 0 H VAL A 57 22.216 31.761 35.863 1.00 0.00 H new ATOM 0 HA VAL A 57 21.331 33.802 33.931 1.00 0.00 H new ATOM 0 HB VAL A 57 19.797 34.696 35.481 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.973 32.947 35.273 1.00 0.00 H new ATOM 0 HG12 VAL A 57 18.913 33.137 33.774 1.00 0.00 H new ATOM 0 HG13 VAL A 57 19.221 31.752 34.847 1.00 0.00 H new ATOM 0 HG21 VAL A 57 18.876 33.380 37.401 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.185 32.196 37.177 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.569 33.871 37.641 1.00 0.00 H new ATOM 895 N TRP A 58 22.669 35.556 35.081 1.00 0.00 N ATOM 896 CA TRP A 58 23.684 36.548 35.494 1.00 0.00 C ATOM 897 C TRP A 58 25.171 36.072 35.449 1.00 0.00 C ATOM 898 O TRP A 58 25.439 34.865 35.439 1.00 0.00 O ATOM 899 CB TRP A 58 23.271 37.161 36.850 1.00 0.00 C ATOM 900 CG TRP A 58 21.802 37.435 36.973 1.00 0.00 C ATOM 901 CD1 TRP A 58 20.945 36.728 37.746 1.00 0.00 C ATOM 902 CD2 TRP A 58 20.975 38.371 36.210 1.00 0.00 C ATOM 903 NE1 TRP A 58 19.650 37.139 37.499 1.00 0.00 N ATOM 904 CE2 TRP A 58 19.608 38.119 36.530 1.00 0.00 C ATOM 905 CE3 TRP A 58 21.231 39.364 35.235 1.00 0.00 C ATOM 906 CZ2 TRP A 58 18.554 38.782 35.890 1.00 0.00 C ATOM 907 CZ3 TRP A 58 20.176 40.043 34.592 1.00 0.00 C ATOM 908 CH2 TRP A 58 18.838 39.744 34.907 1.00 0.00 C ATOM 0 H TRP A 58 22.128 35.875 34.277 1.00 0.00 H new ATOM 0 HA TRP A 58 23.687 37.325 34.729 1.00 0.00 H new ATOM 0 HB2 TRP A 58 23.572 36.484 37.650 1.00 0.00 H new ATOM 0 HB3 TRP A 58 23.818 38.092 36.998 1.00 0.00 H new ATOM 0 HD1 TRP A 58 21.230 35.959 38.449 1.00 0.00 H new ATOM 0 HE1 TRP A 58 18.828 36.765 37.973 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.252 39.606 34.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 17.531 38.555 36.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.397 40.798 33.852 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.033 40.252 34.396 1.00 0.00 H new ATOM 919 N PRO A 59 26.159 36.996 35.407 1.00 0.00 N ATOM 920 CA PRO A 59 27.589 36.671 35.290 1.00 0.00 C ATOM 921 C PRO A 59 28.173 35.883 36.476 1.00 0.00 C ATOM 922 O PRO A 59 27.588 35.837 37.564 1.00 0.00 O ATOM 923 CB PRO A 59 28.328 38.009 35.129 1.00 0.00 C ATOM 924 CG PRO A 59 27.249 38.987 34.679 1.00 0.00 C ATOM 925 CD PRO A 59 25.995 38.442 35.354 1.00 0.00 C ATOM 0 HA PRO A 59 27.717 36.007 34.435 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.785 38.326 36.066 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.129 37.935 34.393 1.00 0.00 H new ATOM 0 HG2 PRO A 59 27.469 40.006 34.997 1.00 0.00 H new ATOM 0 HG3 PRO A 59 27.148 39.007 33.594 1.00 0.00 H new ATOM 0 HD2 PRO A 59 25.880 38.858 36.355 1.00 0.00 H new ATOM 0 HD3 PRO A 59 25.101 38.712 34.792 1.00 0.00 H new ATOM 933 N LEU A 60 29.359 35.291 36.280 1.00 0.00 N ATOM 934 CA LEU A 60 30.056 34.492 37.299 1.00 0.00 C ATOM 935 C LEU A 60 30.949 35.371 38.207 1.00 0.00 C ATOM 936 O LEU A 60 31.861 36.041 37.704 1.00 0.00 O ATOM 937 CB LEU A 60 30.883 33.382 36.619 1.00 0.00 C ATOM 938 CG LEU A 60 30.093 32.085 36.351 1.00 0.00 C ATOM 939 CD1 LEU A 60 28.841 32.295 35.501 1.00 0.00 C ATOM 940 CD2 LEU A 60 31.000 31.071 35.647 1.00 0.00 C ATOM 0 H LEU A 60 29.868 35.354 35.398 1.00 0.00 H new ATOM 0 HA LEU A 60 29.305 34.032 37.941 1.00 0.00 H new ATOM 0 HB2 LEU A 60 31.272 33.760 35.673 1.00 0.00 H new ATOM 0 HB3 LEU A 60 31.743 33.148 37.246 1.00 0.00 H new ATOM 0 HG LEU A 60 29.764 31.719 37.324 1.00 0.00 H new ATOM 0 HD11 LEU A 60 28.337 31.340 35.354 1.00 0.00 H new ATOM 0 HD12 LEU A 60 28.168 32.986 36.009 1.00 0.00 H new ATOM 0 HD13 LEU A 60 29.124 32.709 34.533 1.00 0.00 H new ATOM 0 HD21 LEU A 60 30.442 30.154 35.457 1.00 0.00 H new ATOM 0 HD22 LEU A 60 31.346 31.488 34.701 1.00 0.00 H new ATOM 0 HD23 LEU A 60 31.858 30.849 36.281 1.00 0.00 H new ATOM 952 N PRO A 61 30.769 35.338 39.546 1.00 0.00 N ATOM 953 CA PRO A 61 31.590 36.100 40.494 1.00 0.00 C ATOM 954 C PRO A 61 32.900 35.400 40.914 1.00 0.00 C ATOM 955 O PRO A 61 33.815 36.073 41.394 1.00 0.00 O ATOM 956 CB PRO A 61 30.671 36.320 41.699 1.00 0.00 C ATOM 957 CG PRO A 61 29.817 35.052 41.724 1.00 0.00 C ATOM 958 CD PRO A 61 29.641 34.727 40.243 1.00 0.00 C ATOM 0 HA PRO A 61 31.937 37.025 40.033 1.00 0.00 H new ATOM 0 HB2 PRO A 61 31.239 36.441 42.621 1.00 0.00 H new ATOM 0 HB3 PRO A 61 30.060 37.215 41.581 1.00 0.00 H new ATOM 0 HG2 PRO A 61 30.313 34.242 42.259 1.00 0.00 H new ATOM 0 HG3 PRO A 61 28.859 35.220 42.217 1.00 0.00 H new ATOM 0 HD2 PRO A 61 29.624 33.649 40.082 1.00 0.00 H new ATOM 0 HD3 PRO A 61 28.695 35.120 39.870 1.00 0.00 H new ATOM 966 N ASN A 62 33.002 34.072 40.765 1.00 0.00 N ATOM 967 CA ASN A 62 34.131 33.265 41.253 1.00 0.00 C ATOM 968 C ASN A 62 35.204 32.979 40.183 1.00 0.00 C ATOM 969 O ASN A 62 36.318 33.492 40.287 1.00 0.00 O ATOM 970 CB ASN A 62 33.576 31.993 41.921 1.00 0.00 C ATOM 971 CG ASN A 62 32.827 32.291 43.211 1.00 0.00 C ATOM 972 OD1 ASN A 62 33.281 33.056 44.049 1.00 0.00 O ATOM 973 ND2 ASN A 62 31.664 31.727 43.417 1.00 0.00 N ATOM 0 H ASN A 62 32.288 33.517 40.293 1.00 0.00 H new ATOM 0 HA ASN A 62 34.674 33.847 41.997 1.00 0.00 H new ATOM 0 HB2 ASN A 62 32.908 31.484 41.226 1.00 0.00 H new ATOM 0 HB3 ASN A 62 34.398 31.309 42.132 1.00 0.00 H new ATOM 0 HD21 ASN A 62 31.144 31.927 44.271 1.00 0.00 H new ATOM 0 HD22 ASN A 62 31.277 31.087 42.723 1.00 0.00 H new ATOM 980 N LYS A 63 34.899 32.185 39.142 1.00 0.00 N ATOM 981 CA LYS A 63 35.828 31.946 38.018 1.00 0.00 C ATOM 982 C LYS A 63 36.036 33.221 37.193 1.00 0.00 C ATOM 983 O LYS A 63 35.077 33.949 36.933 1.00 0.00 O ATOM 984 CB LYS A 63 35.344 30.793 37.113 1.00 0.00 C ATOM 985 CG LYS A 63 35.470 29.384 37.723 1.00 0.00 C ATOM 986 CD LYS A 63 36.927 28.979 38.008 1.00 0.00 C ATOM 987 CE LYS A 63 37.053 27.502 38.405 1.00 0.00 C ATOM 988 NZ LYS A 63 36.923 26.587 37.248 1.00 0.00 N1+ ATOM 0 H LYS A 63 34.010 31.693 39.054 1.00 0.00 H new ATOM 0 HA LYS A 63 36.785 31.653 38.450 1.00 0.00 H new ATOM 0 HB2 LYS A 63 34.299 30.968 36.856 1.00 0.00 H new ATOM 0 HB3 LYS A 63 35.910 30.821 36.182 1.00 0.00 H new ATOM 0 HG2 LYS A 63 34.900 29.344 38.651 1.00 0.00 H new ATOM 0 HG3 LYS A 63 35.024 28.659 37.043 1.00 0.00 H new ATOM 0 HD2 LYS A 63 37.534 29.168 37.123 1.00 0.00 H new ATOM 0 HD3 LYS A 63 37.326 29.603 38.808 1.00 0.00 H new ATOM 0 HE2 LYS A 63 38.018 27.340 38.885 1.00 0.00 H new ATOM 0 HE3 LYS A 63 36.286 27.261 39.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 37.016 25.603 37.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 35.992 26.719 36.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 37.670 26.795 36.555 1.00 0.00 H new ATOM 1002 N ARG A 64 37.273 33.477 36.762 1.00 0.00 N ATOM 1003 CA ARG A 64 37.652 34.602 35.885 1.00 0.00 C ATOM 1004 C ARG A 64 37.974 34.145 34.459 1.00 0.00 C ATOM 1005 O ARG A 64 38.217 32.959 34.233 1.00 0.00 O ATOM 1006 CB ARG A 64 38.786 35.408 36.528 1.00 0.00 C ATOM 1007 CG ARG A 64 38.244 36.149 37.764 1.00 0.00 C ATOM 1008 CD ARG A 64 39.225 37.175 38.326 1.00 0.00 C ATOM 1009 NE ARG A 64 39.541 38.208 37.332 1.00 0.00 N ATOM 1010 CZ ARG A 64 40.399 39.191 37.499 1.00 0.00 C ATOM 1011 NH1 ARG A 64 40.942 39.448 38.654 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 40.743 39.927 36.490 1.00 0.00 N ATOM 0 H ARG A 64 38.068 32.892 37.018 1.00 0.00 H new ATOM 0 HA ARG A 64 36.793 35.265 35.782 1.00 0.00 H new ATOM 0 HB2 ARG A 64 39.602 34.745 36.816 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.193 36.121 35.811 1.00 0.00 H new ATOM 0 HG2 ARG A 64 37.314 36.652 37.500 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.004 35.422 38.540 1.00 0.00 H new ATOM 0 HD2 ARG A 64 38.799 37.640 39.215 1.00 0.00 H new ATOM 0 HD3 ARG A 64 40.141 36.673 38.637 1.00 0.00 H new ATOM 0 HE ARG A 64 39.054 38.159 36.437 1.00 0.00 H new ATOM 0 HH11 ARG A 64 40.706 38.879 39.467 1.00 0.00 H new ATOM 0 HH12 ARG A 64 41.604 40.219 38.746 1.00 0.00 H new ATOM 0 HH21 ARG A 64 40.349 39.744 35.567 1.00 0.00 H new ATOM 0 HH22 ARG A 64 41.408 40.690 36.618 1.00 0.00 H new ATOM 1026 N CYS A 65 37.886 35.062 33.498 1.00 0.00 N ATOM 1027 CA CYS A 65 38.057 34.788 32.068 1.00 0.00 C ATOM 1028 C CYS A 65 39.535 34.722 31.625 1.00 0.00 C ATOM 1029 O CYS A 65 40.357 35.540 32.043 1.00 0.00 O ATOM 1030 CB CYS A 65 37.272 35.844 31.274 1.00 0.00 C ATOM 1031 SG CYS A 65 37.403 35.734 29.465 1.00 0.00 S ATOM 0 H CYS A 65 37.689 36.043 33.695 1.00 0.00 H new ATOM 0 HA CYS A 65 37.662 33.793 31.862 1.00 0.00 H new ATOM 0 HB2 CYS A 65 36.220 35.769 31.548 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.613 36.832 31.584 1.00 0.00 H new ATOM 1036 N LYS A 66 39.861 33.782 30.727 1.00 0.00 N ATOM 1037 CA LYS A 66 41.170 33.632 30.068 1.00 0.00 C ATOM 1038 C LYS A 66 41.036 33.631 28.538 1.00 0.00 C ATOM 1039 O LYS A 66 40.014 33.230 27.972 1.00 0.00 O ATOM 1040 CB LYS A 66 41.888 32.370 30.589 1.00 0.00 C ATOM 1041 CG LYS A 66 42.169 32.436 32.101 1.00 0.00 C ATOM 1042 CD LYS A 66 42.950 31.211 32.594 1.00 0.00 C ATOM 1043 CE LYS A 66 43.054 31.254 34.121 1.00 0.00 C ATOM 1044 NZ LYS A 66 43.817 30.110 34.673 1.00 0.00 N1+ ATOM 0 H LYS A 66 39.192 33.074 30.426 1.00 0.00 H new ATOM 0 HA LYS A 66 41.785 34.495 30.322 1.00 0.00 H new ATOM 0 HB2 LYS A 66 41.277 31.493 30.374 1.00 0.00 H new ATOM 0 HB3 LYS A 66 42.828 32.243 30.053 1.00 0.00 H new ATOM 0 HG2 LYS A 66 42.734 33.341 32.326 1.00 0.00 H new ATOM 0 HG3 LYS A 66 41.226 32.507 32.642 1.00 0.00 H new ATOM 0 HD2 LYS A 66 42.449 30.296 32.278 1.00 0.00 H new ATOM 0 HD3 LYS A 66 43.946 31.199 32.151 1.00 0.00 H new ATOM 0 HE2 LYS A 66 43.534 32.185 34.423 1.00 0.00 H new ATOM 0 HE3 LYS A 66 42.052 31.258 34.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 43.857 30.187 35.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 43.347 29.220 34.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 44.783 30.118 34.287 1.00 0.00 H new HETATM 1058 N NH2 A 67 42.058 34.100 27.843 1.00 0.00 N TER 1061 NH2 A 67