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 85:sc= 1.4 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 1.07 K(o=2.5,f=-2.4) USER MOD Set 2.1: A 9 HIS : no HD1:sc= -0.503 K(o=-0.41,f=-7.8!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -130:sc= 0.0928 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 131:sc= 0.0293 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0.47) USER MOD Single : A 4 TYR OH : rot 50:sc= 0.812 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 60:sc= 0.0198 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -156:sc= 0.548 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.501 K(o=0.5,f=-5.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -12:sc= 1.17 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 1.28 K(o=1.3,f=-8!) USER MOD Single : A 36 SER OG : rot 119:sc= 0.101 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 116:sc= 0.0276 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 K(o=0,f=-0.84) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= -0.0101 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.959 32.552 31.878 1.00 0.00 N ATOM 2 CA LYS A 1 13.302 32.668 32.488 1.00 0.00 C ATOM 3 C LYS A 1 14.367 32.742 31.399 1.00 0.00 C ATOM 4 O LYS A 1 14.240 32.123 30.343 1.00 0.00 O ATOM 5 CB LYS A 1 13.586 31.549 33.513 1.00 0.00 C ATOM 6 CG LYS A 1 14.768 31.887 34.439 1.00 0.00 C ATOM 7 CD LYS A 1 15.032 30.800 35.492 1.00 0.00 C ATOM 8 CE LYS A 1 16.158 31.260 36.430 1.00 0.00 C ATOM 9 NZ LYS A 1 16.432 30.295 37.524 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.439 31.773 32.329 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.437 33.441 32.015 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.055 32.360 30.860 1.00 0.00 H new ATOM 0 HA LYS A 1 13.333 33.597 33.057 1.00 0.00 H new ATOM 0 HB2 LYS A 1 12.694 31.377 34.115 1.00 0.00 H new ATOM 0 HB3 LYS A 1 13.797 30.620 32.983 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.666 32.028 33.837 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.570 32.833 34.943 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.125 30.604 36.064 1.00 0.00 H new ATOM 0 HD3 LYS A 1 15.309 29.865 35.004 1.00 0.00 H new ATOM 0 HE2 LYS A 1 17.068 31.411 35.849 1.00 0.00 H new ATOM 0 HE3 LYS A 1 15.892 32.225 36.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 17.445 30.316 37.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 15.876 30.555 38.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 16.168 29.337 37.216 1.00 0.00 H new ATOM 25 N GLU A 2 15.415 33.517 31.667 1.00 0.00 N ATOM 26 CA GLU A 2 16.508 33.873 30.757 1.00 0.00 C ATOM 27 C GLU A 2 17.874 33.428 31.315 1.00 0.00 C ATOM 28 O GLU A 2 17.986 33.097 32.500 1.00 0.00 O ATOM 29 CB GLU A 2 16.453 35.391 30.491 1.00 0.00 C ATOM 30 CG GLU A 2 16.766 36.312 31.687 1.00 0.00 C ATOM 31 CD GLU A 2 15.786 36.203 32.867 1.00 0.00 C ATOM 32 OE1 GLU A 2 16.238 35.926 34.001 1.00 0.00 O ATOM 33 OE2 GLU A 2 14.555 36.353 32.681 1.00 0.00 O1- ATOM 0 H GLU A 2 15.534 33.943 32.586 1.00 0.00 H new ATOM 0 HA GLU A 2 16.385 33.345 29.812 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.155 35.622 29.690 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.457 35.637 30.123 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.770 36.087 32.046 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.777 37.344 31.338 1.00 0.00 H new ATOM 40 N GLY A 3 18.911 33.403 30.476 1.00 0.00 N ATOM 41 CA GLY A 3 20.247 32.932 30.853 1.00 0.00 C ATOM 42 C GLY A 3 21.353 33.442 29.927 1.00 0.00 C ATOM 43 O GLY A 3 21.114 33.766 28.770 1.00 0.00 O ATOM 0 H GLY A 3 18.847 33.712 29.506 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.462 33.250 31.873 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.254 31.842 30.850 1.00 0.00 H new ATOM 47 N TYR A 4 22.587 33.518 30.420 1.00 0.00 N ATOM 48 CA TYR A 4 23.748 33.923 29.611 1.00 0.00 C ATOM 49 C TYR A 4 24.255 32.758 28.743 1.00 0.00 C ATOM 50 O TYR A 4 24.033 31.590 29.078 1.00 0.00 O ATOM 51 CB TYR A 4 24.825 34.470 30.555 1.00 0.00 C ATOM 52 CG TYR A 4 25.947 35.281 29.925 1.00 0.00 C ATOM 53 CD1 TYR A 4 25.727 36.643 29.632 1.00 0.00 C ATOM 54 CD2 TYR A 4 27.219 34.717 29.703 1.00 0.00 C ATOM 55 CE1 TYR A 4 26.760 37.440 29.109 1.00 0.00 C ATOM 56 CE2 TYR A 4 28.261 35.513 29.184 1.00 0.00 C ATOM 57 CZ TYR A 4 28.031 36.874 28.882 1.00 0.00 C ATOM 58 OH TYR A 4 29.044 37.635 28.391 1.00 0.00 O ATOM 0 H TYR A 4 22.817 33.302 31.390 1.00 0.00 H new ATOM 0 HA TYR A 4 23.465 34.709 28.911 1.00 0.00 H new ATOM 0 HB2 TYR A 4 24.335 35.093 31.303 1.00 0.00 H new ATOM 0 HB3 TYR A 4 25.271 33.628 31.084 1.00 0.00 H new ATOM 0 HD1 TYR A 4 24.755 37.078 29.811 1.00 0.00 H new ATOM 0 HD2 TYR A 4 27.396 33.676 29.930 1.00 0.00 H new ATOM 0 HE1 TYR A 4 26.581 38.481 28.882 1.00 0.00 H new ATOM 0 HE2 TYR A 4 29.237 35.081 29.017 1.00 0.00 H new ATOM 0 HH TYR A 4 29.119 38.459 28.917 1.00 0.00 H new ATOM 68 N LEU A 5 24.984 33.043 27.657 1.00 0.00 N ATOM 69 CA LEU A 5 25.675 32.032 26.837 1.00 0.00 C ATOM 70 C LEU A 5 26.912 31.435 27.562 1.00 0.00 C ATOM 71 O LEU A 5 28.008 31.396 27.010 1.00 0.00 O ATOM 72 CB LEU A 5 26.016 32.643 25.459 1.00 0.00 C ATOM 73 CG LEU A 5 26.465 31.607 24.400 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.272 31.090 23.600 1.00 0.00 C ATOM 75 CD2 LEU A 5 27.467 32.209 23.414 1.00 0.00 C ATOM 0 H LEU A 5 25.114 33.995 27.316 1.00 0.00 H new ATOM 0 HA LEU A 5 25.008 31.185 26.677 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.142 33.175 25.083 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.807 33.381 25.587 1.00 0.00 H new ATOM 0 HG LEU A 5 26.935 30.790 24.947 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.615 30.364 22.863 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.560 30.614 24.275 1.00 0.00 H new ATOM 0 HD13 LEU A 5 24.787 31.923 23.090 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.760 31.453 22.686 1.00 0.00 H new ATOM 0 HD22 LEU A 5 27.008 33.052 22.898 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.349 32.552 23.955 1.00 0.00 H new ATOM 87 N VAL A 6 26.781 31.023 28.829 1.00 0.00 N ATOM 88 CA VAL A 6 27.927 30.656 29.675 1.00 0.00 C ATOM 89 C VAL A 6 28.537 29.290 29.334 1.00 0.00 C ATOM 90 O VAL A 6 28.032 28.229 29.703 1.00 0.00 O ATOM 91 CB VAL A 6 27.637 30.848 31.178 1.00 0.00 C ATOM 92 CG1 VAL A 6 26.461 30.040 31.743 1.00 0.00 C ATOM 93 CG2 VAL A 6 28.901 30.565 31.995 1.00 0.00 C ATOM 0 H VAL A 6 25.879 30.934 29.298 1.00 0.00 H new ATOM 0 HA VAL A 6 28.714 31.369 29.431 1.00 0.00 H new ATOM 0 HB VAL A 6 27.329 31.890 31.268 1.00 0.00 H new ATOM 0 HG11 VAL A 6 26.350 30.254 32.806 1.00 0.00 H new ATOM 0 HG12 VAL A 6 25.545 30.316 31.220 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.651 28.976 31.605 1.00 0.00 H new ATOM 0 HG21 VAL A 6 28.688 30.703 33.055 1.00 0.00 H new ATOM 0 HG22 VAL A 6 29.225 29.539 31.821 1.00 0.00 H new ATOM 0 HG23 VAL A 6 29.691 31.252 31.692 1.00 0.00 H new ATOM 103 N ASP A 7 29.664 29.337 28.629 1.00 0.00 N ATOM 104 CA ASP A 7 30.566 28.203 28.413 1.00 0.00 C ATOM 105 C ASP A 7 31.510 28.119 29.613 1.00 0.00 C ATOM 106 O ASP A 7 32.461 28.895 29.726 1.00 0.00 O ATOM 107 CB ASP A 7 31.336 28.377 27.102 1.00 0.00 C ATOM 108 CG ASP A 7 32.375 27.274 26.865 1.00 0.00 C ATOM 109 OD1 ASP A 7 32.247 26.153 27.415 1.00 0.00 O ATOM 110 OD2 ASP A 7 33.327 27.533 26.093 1.00 0.00 O1- ATOM 0 H ASP A 7 29.988 30.192 28.176 1.00 0.00 H new ATOM 0 HA ASP A 7 30.003 27.274 28.329 1.00 0.00 H new ATOM 0 HB2 ASP A 7 30.630 28.388 26.271 1.00 0.00 H new ATOM 0 HB3 ASP A 7 31.837 29.345 27.107 1.00 0.00 H new ATOM 115 N TYR A 8 31.209 27.200 30.529 1.00 0.00 N ATOM 116 CA TYR A 8 31.857 27.061 31.839 1.00 0.00 C ATOM 117 C TYR A 8 33.310 26.548 31.784 1.00 0.00 C ATOM 118 O TYR A 8 33.961 26.438 32.822 1.00 0.00 O ATOM 119 CB TYR A 8 30.978 26.157 32.712 1.00 0.00 C ATOM 120 CG TYR A 8 30.798 24.746 32.176 1.00 0.00 C ATOM 121 CD1 TYR A 8 31.670 23.715 32.578 1.00 0.00 C ATOM 122 CD2 TYR A 8 29.762 24.469 31.263 1.00 0.00 C ATOM 123 CE1 TYR A 8 31.502 22.410 32.077 1.00 0.00 C ATOM 124 CE2 TYR A 8 29.600 23.169 30.752 1.00 0.00 C ATOM 125 CZ TYR A 8 30.462 22.131 31.165 1.00 0.00 C ATOM 126 OH TYR A 8 30.272 20.855 30.732 1.00 0.00 O ATOM 0 H TYR A 8 30.480 26.504 30.376 1.00 0.00 H new ATOM 0 HA TYR A 8 31.944 28.058 32.271 1.00 0.00 H new ATOM 0 HB2 TYR A 8 31.414 26.100 33.709 1.00 0.00 H new ATOM 0 HB3 TYR A 8 29.997 26.619 32.819 1.00 0.00 H new ATOM 0 HD1 TYR A 8 32.470 23.926 33.272 1.00 0.00 H new ATOM 0 HD2 TYR A 8 29.091 25.257 30.955 1.00 0.00 H new ATOM 0 HE1 TYR A 8 32.170 21.622 32.391 1.00 0.00 H new ATOM 0 HE2 TYR A 8 28.813 22.964 30.041 1.00 0.00 H new ATOM 0 HH TYR A 8 29.516 20.830 30.109 1.00 0.00 H new ATOM 136 N HIS A 9 33.830 26.262 30.588 1.00 0.00 N ATOM 137 CA HIS A 9 35.240 25.915 30.346 1.00 0.00 C ATOM 138 C HIS A 9 36.203 27.088 30.641 1.00 0.00 C ATOM 139 O HIS A 9 37.388 26.872 30.919 1.00 0.00 O ATOM 140 CB HIS A 9 35.358 25.416 28.895 1.00 0.00 C ATOM 141 CG HIS A 9 36.432 24.381 28.660 1.00 0.00 C ATOM 142 ND1 HIS A 9 37.804 24.613 28.541 1.00 0.00 N ATOM 143 CD2 HIS A 9 36.206 23.052 28.461 1.00 0.00 C ATOM 144 CE1 HIS A 9 38.374 23.414 28.325 1.00 0.00 C ATOM 145 NE2 HIS A 9 37.432 22.462 28.259 1.00 0.00 N ATOM 0 H HIS A 9 33.270 26.264 29.735 1.00 0.00 H new ATOM 0 HA HIS A 9 35.543 25.128 31.036 1.00 0.00 H new ATOM 0 HB2 HIS A 9 34.399 24.997 28.592 1.00 0.00 H new ATOM 0 HB3 HIS A 9 35.551 26.271 28.247 1.00 0.00 H new ATOM 0 HD2 HIS A 9 35.247 22.556 28.462 1.00 0.00 H new ATOM 0 HE1 HIS A 9 39.435 23.243 28.220 1.00 0.00 H new ATOM 0 HE2 HIS A 9 37.596 21.470 28.088 1.00 0.00 H new ATOM 153 N THR A 10 35.700 28.336 30.632 1.00 0.00 N ATOM 154 CA THR A 10 36.458 29.533 31.044 1.00 0.00 C ATOM 155 C THR A 10 35.573 30.691 31.538 1.00 0.00 C ATOM 156 O THR A 10 34.399 30.806 31.183 1.00 0.00 O ATOM 157 CB THR A 10 37.406 29.989 29.920 1.00 0.00 C ATOM 158 OG1 THR A 10 38.304 30.957 30.413 1.00 0.00 O ATOM 159 CG2 THR A 10 36.708 30.593 28.708 1.00 0.00 C ATOM 0 H THR A 10 34.747 28.544 30.336 1.00 0.00 H new ATOM 0 HA THR A 10 37.052 29.235 31.908 1.00 0.00 H new ATOM 0 HB THR A 10 37.910 29.080 29.592 1.00 0.00 H new ATOM 0 HG1 THR A 10 38.830 30.572 31.145 1.00 0.00 H new ATOM 0 HG21 THR A 10 37.453 30.886 27.968 1.00 0.00 H new ATOM 0 HG22 THR A 10 36.033 29.856 28.272 1.00 0.00 H new ATOM 0 HG23 THR A 10 36.138 31.470 29.016 1.00 0.00 H new ATOM 167 N GLY A 11 36.140 31.589 32.354 1.00 0.00 N ATOM 168 CA GLY A 11 35.448 32.752 32.929 1.00 0.00 C ATOM 169 C GLY A 11 35.225 33.939 31.983 1.00 0.00 C ATOM 170 O GLY A 11 34.742 34.978 32.427 1.00 0.00 O ATOM 0 H GLY A 11 37.117 31.526 32.640 1.00 0.00 H new ATOM 0 HA2 GLY A 11 34.478 32.424 33.303 1.00 0.00 H new ATOM 0 HA3 GLY A 11 36.020 33.101 33.789 1.00 0.00 H new ATOM 174 N CYS A 12 35.599 33.837 30.705 1.00 0.00 N ATOM 175 CA CYS A 12 35.469 34.933 29.738 1.00 0.00 C ATOM 176 C CYS A 12 34.012 35.355 29.494 1.00 0.00 C ATOM 177 O CYS A 12 33.096 34.530 29.594 1.00 0.00 O ATOM 178 CB CYS A 12 36.121 34.532 28.409 1.00 0.00 C ATOM 179 SG CYS A 12 37.852 34.015 28.511 1.00 0.00 S ATOM 0 H CYS A 12 36.003 32.988 30.309 1.00 0.00 H new ATOM 0 HA CYS A 12 35.979 35.795 30.168 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.543 33.718 27.972 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.052 35.376 27.722 1.00 0.00 H new ATOM 184 N LYS A 13 33.802 36.632 29.145 1.00 0.00 N ATOM 185 CA LYS A 13 32.507 37.131 28.651 1.00 0.00 C ATOM 186 C LYS A 13 32.366 36.884 27.145 1.00 0.00 C ATOM 187 O LYS A 13 33.362 36.856 26.421 1.00 0.00 O ATOM 188 CB LYS A 13 32.328 38.600 29.063 1.00 0.00 C ATOM 189 CG LYS A 13 33.228 39.564 28.279 1.00 0.00 C ATOM 190 CD LYS A 13 33.370 40.916 28.977 1.00 0.00 C ATOM 191 CE LYS A 13 32.063 41.719 28.936 1.00 0.00 C ATOM 192 NZ LYS A 13 32.186 42.990 29.682 1.00 0.00 N1+ ATOM 0 H LYS A 13 34.525 37.350 29.197 1.00 0.00 H new ATOM 0 HA LYS A 13 31.691 36.575 29.112 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.286 38.887 28.917 1.00 0.00 H new ATOM 0 HB3 LYS A 13 32.540 38.700 30.127 1.00 0.00 H new ATOM 0 HG2 LYS A 13 34.214 39.117 28.153 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.816 39.713 27.281 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.668 40.760 30.014 1.00 0.00 H new ATOM 0 HD3 LYS A 13 34.164 41.490 28.500 1.00 0.00 H new ATOM 0 HE2 LYS A 13 31.795 41.928 27.900 1.00 0.00 H new ATOM 0 HE3 LYS A 13 31.255 41.123 29.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 31.286 43.509 29.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 32.418 42.788 30.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 32.941 43.568 29.261 1.00 0.00 H new ATOM 206 N TYR A 14 31.140 36.733 26.654 1.00 0.00 N ATOM 207 CA TYR A 14 30.840 36.270 25.294 1.00 0.00 C ATOM 208 C TYR A 14 30.104 37.341 24.472 1.00 0.00 C ATOM 209 O TYR A 14 28.891 37.308 24.249 1.00 0.00 O ATOM 210 CB TYR A 14 30.178 34.884 25.389 1.00 0.00 C ATOM 211 CG TYR A 14 31.046 33.865 26.128 1.00 0.00 C ATOM 212 CD1 TYR A 14 32.379 33.654 25.719 1.00 0.00 C ATOM 213 CD2 TYR A 14 30.557 33.167 27.252 1.00 0.00 C ATOM 214 CE1 TYR A 14 33.203 32.738 26.399 1.00 0.00 C ATOM 215 CE2 TYR A 14 31.386 32.262 27.952 1.00 0.00 C ATOM 216 CZ TYR A 14 32.709 32.036 27.517 1.00 0.00 C ATOM 217 OH TYR A 14 33.509 31.120 28.130 1.00 0.00 O ATOM 0 H TYR A 14 30.303 36.933 27.201 1.00 0.00 H new ATOM 0 HA TYR A 14 31.748 36.126 24.709 1.00 0.00 H new ATOM 0 HB2 TYR A 14 29.220 34.978 25.900 1.00 0.00 H new ATOM 0 HB3 TYR A 14 29.969 34.516 24.385 1.00 0.00 H new ATOM 0 HD1 TYR A 14 32.772 34.201 24.875 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.540 33.326 27.580 1.00 0.00 H new ATOM 0 HE1 TYR A 14 34.216 32.573 26.063 1.00 0.00 H new ATOM 0 HE2 TYR A 14 31.007 31.743 28.820 1.00 0.00 H new ATOM 0 HH TYR A 14 32.954 30.468 28.607 1.00 0.00 H new ATOM 227 N THR A 15 30.897 38.331 24.052 1.00 0.00 N ATOM 228 CA THR A 15 30.491 39.535 23.306 1.00 0.00 C ATOM 229 C THR A 15 30.021 39.238 21.875 1.00 0.00 C ATOM 230 O THR A 15 30.387 38.216 21.280 1.00 0.00 O ATOM 231 CB THR A 15 31.648 40.548 23.252 1.00 0.00 C ATOM 232 OG1 THR A 15 32.718 40.021 22.495 1.00 0.00 O ATOM 233 CG2 THR A 15 32.215 40.897 24.627 1.00 0.00 C ATOM 0 H THR A 15 31.901 38.316 24.232 1.00 0.00 H new ATOM 0 HA THR A 15 29.642 39.950 23.849 1.00 0.00 H new ATOM 0 HB THR A 15 31.226 41.448 22.805 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.449 40.673 22.464 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.027 41.616 24.514 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.429 41.331 25.245 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.594 39.993 25.104 1.00 0.00 H new ATOM 241 N CYS A 16 29.218 40.142 21.305 1.00 0.00 N ATOM 242 CA CYS A 16 28.674 40.060 19.945 1.00 0.00 C ATOM 243 C CYS A 16 28.170 41.430 19.421 1.00 0.00 C ATOM 244 O CYS A 16 28.402 42.467 20.049 1.00 0.00 O ATOM 245 CB CYS A 16 27.583 38.983 19.946 1.00 0.00 C ATOM 246 SG CYS A 16 26.151 39.311 20.998 1.00 0.00 S ATOM 0 H CYS A 16 28.917 40.983 21.797 1.00 0.00 H new ATOM 0 HA CYS A 16 29.462 39.780 19.247 1.00 0.00 H new ATOM 0 HB2 CYS A 16 27.234 38.846 18.923 1.00 0.00 H new ATOM 0 HB3 CYS A 16 28.031 38.040 20.259 1.00 0.00 H new ATOM 251 N ALA A 17 27.545 41.426 18.238 1.00 0.00 N ATOM 252 CA ALA A 17 27.172 42.599 17.442 1.00 0.00 C ATOM 253 C ALA A 17 26.030 43.482 18.012 1.00 0.00 C ATOM 254 O ALA A 17 25.507 43.265 19.111 1.00 0.00 O ATOM 255 CB ALA A 17 26.824 42.065 16.041 1.00 0.00 C ATOM 0 H ALA A 17 27.271 40.554 17.786 1.00 0.00 H new ATOM 0 HA ALA A 17 28.016 43.289 17.442 1.00 0.00 H new ATOM 0 HB1 ALA A 17 26.536 42.895 15.396 1.00 0.00 H new ATOM 0 HB2 ALA A 17 27.693 41.561 15.618 1.00 0.00 H new ATOM 0 HB3 ALA A 17 25.996 41.360 16.116 1.00 0.00 H new ATOM 261 N LYS A 18 25.643 44.506 17.237 1.00 0.00 N ATOM 262 CA LYS A 18 24.445 45.335 17.470 1.00 0.00 C ATOM 263 C LYS A 18 23.140 44.518 17.480 1.00 0.00 C ATOM 264 O LYS A 18 23.074 43.424 16.918 1.00 0.00 O ATOM 265 CB LYS A 18 24.393 46.495 16.455 1.00 0.00 C ATOM 266 CG LYS A 18 24.195 46.086 14.980 1.00 0.00 C ATOM 267 CD LYS A 18 24.182 47.345 14.104 1.00 0.00 C ATOM 268 CE LYS A 18 24.046 47.067 12.601 1.00 0.00 C ATOM 269 NZ LYS A 18 24.157 48.336 11.843 1.00 0.00 N1+ ATOM 0 H LYS A 18 26.166 44.790 16.409 1.00 0.00 H new ATOM 0 HA LYS A 18 24.531 45.756 18.472 1.00 0.00 H new ATOM 0 HB2 LYS A 18 23.582 47.166 16.739 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.319 47.064 16.534 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.996 45.418 14.665 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.260 45.539 14.865 1.00 0.00 H new ATOM 0 HD2 LYS A 18 23.358 47.984 14.419 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.102 47.903 14.277 1.00 0.00 H new ATOM 0 HE2 LYS A 18 24.821 46.372 12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.087 46.593 12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 24.064 48.142 10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 23.402 48.986 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 25.083 48.772 12.029 1.00 0.00 H new ATOM 283 N LEU A 19 22.104 45.061 18.118 1.00 0.00 N ATOM 284 CA LEU A 19 20.805 44.397 18.298 1.00 0.00 C ATOM 285 C LEU A 19 20.181 43.959 16.955 1.00 0.00 C ATOM 286 O LEU A 19 20.255 44.672 15.950 1.00 0.00 O ATOM 287 CB LEU A 19 19.845 45.325 19.067 1.00 0.00 C ATOM 288 CG LEU A 19 20.205 45.533 20.553 1.00 0.00 C ATOM 289 CD1 LEU A 19 19.430 46.714 21.138 1.00 0.00 C ATOM 290 CD2 LEU A 19 19.873 44.294 21.386 1.00 0.00 C ATOM 0 H LEU A 19 22.140 45.992 18.533 1.00 0.00 H new ATOM 0 HA LEU A 19 20.974 43.490 18.878 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.825 46.296 18.572 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.837 44.915 19.005 1.00 0.00 H new ATOM 0 HG LEU A 19 21.277 45.726 20.593 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.699 46.842 22.186 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.677 47.621 20.586 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.360 46.522 21.059 1.00 0.00 H new ATOM 0 HD21 LEU A 19 20.139 44.474 22.428 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.806 44.083 21.315 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.437 43.441 21.010 1.00 0.00 H new ATOM 302 N GLY A 20 19.565 42.777 16.934 1.00 0.00 N ATOM 303 CA GLY A 20 18.890 42.192 15.767 1.00 0.00 C ATOM 304 C GLY A 20 19.827 41.569 14.726 1.00 0.00 C ATOM 305 O GLY A 20 19.506 40.533 14.150 1.00 0.00 O ATOM 0 H GLY A 20 19.519 42.176 17.757 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.195 41.427 16.113 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.296 42.967 15.283 1.00 0.00 H new ATOM 309 N ASP A 21 21.034 42.103 14.552 1.00 0.00 N ATOM 310 CA ASP A 21 22.105 41.513 13.728 1.00 0.00 C ATOM 311 C ASP A 21 22.822 40.340 14.447 1.00 0.00 C ATOM 312 O ASP A 21 24.030 40.110 14.295 1.00 0.00 O ATOM 313 CB ASP A 21 23.089 42.609 13.284 1.00 0.00 C ATOM 314 CG ASP A 21 22.561 43.621 12.268 1.00 0.00 C ATOM 315 OD1 ASP A 21 23.410 44.186 11.534 1.00 0.00 O ATOM 316 OD2 ASP A 21 21.334 43.845 12.153 1.00 0.00 O1- ATOM 0 H ASP A 21 21.309 42.982 14.989 1.00 0.00 H new ATOM 0 HA ASP A 21 21.649 41.080 12.837 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.418 43.153 14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.970 42.127 12.861 1.00 0.00 H new ATOM 321 N ASN A 22 22.073 39.586 15.257 1.00 0.00 N ATOM 322 CA ASN A 22 22.558 38.626 16.243 1.00 0.00 C ATOM 323 C ASN A 22 22.244 37.140 15.971 1.00 0.00 C ATOM 324 O ASN A 22 22.149 36.345 16.908 1.00 0.00 O ATOM 325 CB ASN A 22 22.166 39.136 17.638 1.00 0.00 C ATOM 326 CG ASN A 22 20.731 39.577 17.859 1.00 0.00 C ATOM 327 OD1 ASN A 22 20.510 40.521 18.603 1.00 0.00 O ATOM 328 ND2 ASN A 22 19.733 38.963 17.270 1.00 0.00 N ATOM 0 H ASN A 22 21.054 39.635 15.238 1.00 0.00 H new ATOM 0 HA ASN A 22 23.645 38.589 16.166 1.00 0.00 H new ATOM 0 HB2 ASN A 22 22.387 38.346 18.356 1.00 0.00 H new ATOM 0 HB3 ASN A 22 22.815 39.978 17.880 1.00 0.00 H new ATOM 0 HD21 ASN A 22 18.775 39.274 17.433 1.00 0.00 H new ATOM 0 HD22 ASN A 22 19.915 38.175 16.649 1.00 0.00 H new ATOM 335 N ASP A 23 22.152 36.745 14.699 1.00 0.00 N ATOM 336 CA ASP A 23 21.923 35.348 14.289 1.00 0.00 C ATOM 337 C ASP A 23 22.961 34.354 14.853 1.00 0.00 C ATOM 338 O ASP A 23 22.628 33.199 15.132 1.00 0.00 O ATOM 339 CB ASP A 23 21.923 35.292 12.759 1.00 0.00 C ATOM 340 CG ASP A 23 21.569 33.905 12.233 1.00 0.00 C ATOM 341 OD1 ASP A 23 20.434 33.440 12.484 1.00 0.00 O ATOM 342 OD2 ASP A 23 22.391 33.299 11.505 1.00 0.00 O1- ATOM 0 H ASP A 23 22.235 37.389 13.913 1.00 0.00 H new ATOM 0 HA ASP A 23 20.963 35.038 14.702 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.210 36.019 12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.906 35.580 12.387 1.00 0.00 H new ATOM 347 N TYR A 24 24.198 34.809 15.093 1.00 0.00 N ATOM 348 CA TYR A 24 25.232 34.032 15.781 1.00 0.00 C ATOM 349 C TYR A 24 24.770 33.552 17.167 1.00 0.00 C ATOM 350 O TYR A 24 24.947 32.383 17.505 1.00 0.00 O ATOM 351 CB TYR A 24 26.506 34.888 15.886 1.00 0.00 C ATOM 352 CG TYR A 24 27.689 34.210 16.560 1.00 0.00 C ATOM 353 CD1 TYR A 24 28.666 33.560 15.782 1.00 0.00 C ATOM 354 CD2 TYR A 24 27.836 34.262 17.963 1.00 0.00 C ATOM 355 CE1 TYR A 24 29.779 32.954 16.399 1.00 0.00 C ATOM 356 CE2 TYR A 24 28.950 33.662 18.582 1.00 0.00 C ATOM 357 CZ TYR A 24 29.923 32.997 17.801 1.00 0.00 C ATOM 358 OH TYR A 24 30.999 32.409 18.394 1.00 0.00 O ATOM 0 H TYR A 24 24.510 35.738 14.811 1.00 0.00 H new ATOM 0 HA TYR A 24 25.439 33.133 15.201 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.805 35.190 14.882 1.00 0.00 H new ATOM 0 HB3 TYR A 24 26.268 35.799 16.436 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.562 33.526 14.708 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.092 34.764 18.564 1.00 0.00 H new ATOM 0 HE1 TYR A 24 30.524 32.455 15.796 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.061 33.710 19.655 1.00 0.00 H new ATOM 0 HH TYR A 24 30.945 32.532 19.365 1.00 0.00 H new ATOM 368 N CYS A 25 24.116 34.411 17.960 1.00 0.00 N ATOM 369 CA CYS A 25 23.594 34.005 19.268 1.00 0.00 C ATOM 370 C CYS A 25 22.453 32.993 19.131 1.00 0.00 C ATOM 371 O CYS A 25 22.377 32.074 19.937 1.00 0.00 O ATOM 372 CB CYS A 25 23.105 35.207 20.075 1.00 0.00 C ATOM 373 SG CYS A 25 24.330 36.491 20.408 1.00 0.00 S ATOM 0 H CYS A 25 23.937 35.386 17.719 1.00 0.00 H new ATOM 0 HA CYS A 25 24.422 33.535 19.798 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.269 35.660 19.543 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.718 34.846 21.028 1.00 0.00 H new ATOM 378 N VAL A 26 21.593 33.102 18.113 1.00 0.00 N ATOM 379 CA VAL A 26 20.502 32.132 17.901 1.00 0.00 C ATOM 380 C VAL A 26 21.051 30.744 17.541 1.00 0.00 C ATOM 381 O VAL A 26 20.557 29.734 18.050 1.00 0.00 O ATOM 382 CB VAL A 26 19.494 32.635 16.848 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.287 31.695 16.748 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.953 34.018 17.219 1.00 0.00 C ATOM 0 H VAL A 26 21.627 33.850 17.421 1.00 0.00 H new ATOM 0 HA VAL A 26 19.962 32.035 18.843 1.00 0.00 H new ATOM 0 HB VAL A 26 20.031 32.674 15.900 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.592 32.074 15.998 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.624 30.699 16.460 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.785 31.643 17.714 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.245 34.348 16.459 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.450 33.965 18.185 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.778 34.728 17.278 1.00 0.00 H new ATOM 394 N ARG A 27 22.119 30.683 16.734 1.00 0.00 N ATOM 395 CA ARG A 27 22.848 29.443 16.411 1.00 0.00 C ATOM 396 C ARG A 27 23.638 28.871 17.582 1.00 0.00 C ATOM 397 O ARG A 27 23.640 27.654 17.760 1.00 0.00 O ATOM 398 CB ARG A 27 23.780 29.713 15.217 1.00 0.00 C ATOM 399 CG ARG A 27 23.050 29.565 13.873 1.00 0.00 C ATOM 400 CD ARG A 27 23.503 30.582 12.823 1.00 0.00 C ATOM 401 NE ARG A 27 24.962 30.612 12.595 1.00 0.00 N ATOM 402 CZ ARG A 27 25.656 31.675 12.234 1.00 0.00 C ATOM 403 NH1 ARG A 27 25.118 32.829 11.976 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 26.942 31.606 12.090 1.00 0.00 N ATOM 0 H ARG A 27 22.510 31.507 16.278 1.00 0.00 H new ATOM 0 HA ARG A 27 22.105 28.686 16.161 1.00 0.00 H new ATOM 0 HB2 ARG A 27 24.191 30.719 15.298 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.622 29.022 15.250 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.213 28.558 13.488 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.978 29.674 14.036 1.00 0.00 H new ATOM 0 HD2 ARG A 27 23.004 30.359 11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 27 23.175 31.575 13.131 1.00 0.00 H new ATOM 0 HE ARG A 27 25.475 29.740 12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 27 24.108 32.948 12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.706 33.616 11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 27 27.427 30.724 12.256 1.00 0.00 H new ATOM 0 HH22 ARG A 27 27.469 32.433 11.811 1.00 0.00 H new ATOM 418 N GLU A 28 24.282 29.698 18.399 1.00 0.00 N ATOM 419 CA GLU A 28 25.046 29.201 19.548 1.00 0.00 C ATOM 420 C GLU A 28 24.178 28.900 20.775 1.00 0.00 C ATOM 421 O GLU A 28 24.479 27.931 21.464 1.00 0.00 O ATOM 422 CB GLU A 28 26.188 30.160 19.906 1.00 0.00 C ATOM 423 CG GLU A 28 27.278 30.223 18.824 1.00 0.00 C ATOM 424 CD GLU A 28 27.945 28.872 18.509 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.395 28.678 17.353 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.061 27.997 19.406 1.00 0.00 O1- ATOM 0 H GLU A 28 24.293 30.712 18.291 1.00 0.00 H new ATOM 0 HA GLU A 28 25.472 28.247 19.237 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.781 31.159 20.063 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.637 29.847 20.849 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.840 30.620 17.908 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.047 30.928 19.141 1.00 0.00 H new ATOM 433 N CYS A 29 23.095 29.636 21.053 1.00 0.00 N ATOM 434 CA CYS A 29 22.236 29.387 22.225 1.00 0.00 C ATOM 435 C CYS A 29 21.554 28.015 22.133 1.00 0.00 C ATOM 436 O CYS A 29 21.506 27.300 23.130 1.00 0.00 O ATOM 437 CB CYS A 29 21.193 30.504 22.416 1.00 0.00 C ATOM 438 SG CYS A 29 21.773 32.046 23.183 1.00 0.00 S ATOM 0 H CYS A 29 22.787 30.419 20.476 1.00 0.00 H new ATOM 0 HA CYS A 29 22.883 29.387 23.102 1.00 0.00 H new ATOM 0 HB2 CYS A 29 20.773 30.747 21.440 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.379 30.108 23.023 1.00 0.00 H new ATOM 443 N ARG A 30 21.121 27.589 20.933 1.00 0.00 N ATOM 444 CA ARG A 30 20.528 26.254 20.697 1.00 0.00 C ATOM 445 C ARG A 30 21.535 25.092 20.759 1.00 0.00 C ATOM 446 O ARG A 30 21.143 23.927 20.672 1.00 0.00 O ATOM 447 CB ARG A 30 19.708 26.298 19.397 1.00 0.00 C ATOM 448 CG ARG A 30 20.582 26.359 18.137 1.00 0.00 C ATOM 449 CD ARG A 30 19.772 26.638 16.868 1.00 0.00 C ATOM 450 NE ARG A 30 18.936 25.487 16.496 1.00 0.00 N ATOM 451 CZ ARG A 30 18.216 25.309 15.406 1.00 0.00 C ATOM 452 NH1 ARG A 30 18.092 26.199 14.467 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 17.594 24.184 15.257 1.00 0.00 N ATOM 0 H ARG A 30 21.172 28.163 20.092 1.00 0.00 H new ATOM 0 HA ARG A 30 19.858 26.028 21.526 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.070 25.416 19.347 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.050 27.167 19.418 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.336 27.137 18.260 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.114 25.415 18.023 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.140 27.512 17.024 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.450 26.877 16.048 1.00 0.00 H new ATOM 0 HE ARG A 30 18.910 24.724 17.172 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.568 27.097 14.550 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.519 25.999 13.647 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.668 23.462 15.973 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.030 24.020 14.423 1.00 0.00 H new ATOM 467 N LEU A 31 22.825 25.406 20.915 1.00 0.00 N ATOM 468 CA LEU A 31 23.907 24.445 21.191 1.00 0.00 C ATOM 469 C LEU A 31 24.438 24.550 22.639 1.00 0.00 C ATOM 470 O LEU A 31 24.752 23.524 23.245 1.00 0.00 O ATOM 471 CB LEU A 31 25.018 24.624 20.134 1.00 0.00 C ATOM 472 CG LEU A 31 24.552 24.404 18.678 1.00 0.00 C ATOM 473 CD1 LEU A 31 25.684 24.741 17.707 1.00 0.00 C ATOM 474 CD2 LEU A 31 24.113 22.962 18.419 1.00 0.00 C ATOM 0 H LEU A 31 23.160 26.367 20.851 1.00 0.00 H new ATOM 0 HA LEU A 31 23.509 23.433 21.113 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.430 25.629 20.223 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.827 23.928 20.353 1.00 0.00 H new ATOM 0 HG LEU A 31 23.697 25.061 18.521 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.345 24.582 16.683 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.975 25.784 17.835 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.540 24.098 17.909 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.795 22.859 17.382 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.948 22.288 18.611 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.283 22.710 19.080 1.00 0.00 H new ATOM 486 N ARG A 32 24.479 25.765 23.210 1.00 0.00 N ATOM 487 CA ARG A 32 24.852 26.106 24.604 1.00 0.00 C ATOM 488 C ARG A 32 23.820 25.619 25.632 1.00 0.00 C ATOM 489 O ARG A 32 24.167 25.321 26.771 1.00 0.00 O ATOM 490 CB ARG A 32 24.981 27.638 24.694 1.00 0.00 C ATOM 491 CG ARG A 32 25.750 28.175 25.911 1.00 0.00 C ATOM 492 CD ARG A 32 27.269 28.028 25.747 1.00 0.00 C ATOM 493 NE ARG A 32 27.728 26.722 26.222 1.00 0.00 N ATOM 494 CZ ARG A 32 28.735 26.009 25.768 1.00 0.00 C ATOM 495 NH1 ARG A 32 29.562 26.401 24.844 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 28.920 24.840 26.285 1.00 0.00 N ATOM 0 H ARG A 32 24.236 26.599 22.676 1.00 0.00 H new ATOM 0 HA ARG A 32 25.791 25.605 24.841 1.00 0.00 H new ATOM 0 HB2 ARG A 32 25.474 27.996 23.790 1.00 0.00 H new ATOM 0 HB3 ARG A 32 23.979 28.068 24.702 1.00 0.00 H new ATOM 0 HG2 ARG A 32 25.502 29.226 26.061 1.00 0.00 H new ATOM 0 HG3 ARG A 32 25.429 27.641 26.806 1.00 0.00 H new ATOM 0 HD2 ARG A 32 27.538 28.152 24.698 1.00 0.00 H new ATOM 0 HD3 ARG A 32 27.776 28.818 26.301 1.00 0.00 H new ATOM 0 HE ARG A 32 27.204 26.317 26.998 1.00 0.00 H new ATOM 0 HH11 ARG A 32 29.452 27.321 24.418 1.00 0.00 H new ATOM 0 HH12 ARG A 32 30.320 25.788 24.545 1.00 0.00 H new ATOM 0 HH21 ARG A 32 28.296 24.502 27.018 1.00 0.00 H new ATOM 0 HH22 ARG A 32 29.690 24.255 25.961 1.00 0.00 H new ATOM 510 N TYR A 33 22.564 25.562 25.199 1.00 0.00 N ATOM 511 CA TYR A 33 21.396 24.959 25.840 1.00 0.00 C ATOM 512 C TYR A 33 20.802 23.912 24.871 1.00 0.00 C ATOM 513 O TYR A 33 21.373 23.642 23.811 1.00 0.00 O ATOM 514 CB TYR A 33 20.369 26.067 26.164 1.00 0.00 C ATOM 515 CG TYR A 33 20.808 27.106 27.180 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.635 28.181 26.800 1.00 0.00 C ATOM 517 CD2 TYR A 33 20.355 27.007 28.508 1.00 0.00 C ATOM 518 CE1 TYR A 33 22.062 29.121 27.760 1.00 0.00 C ATOM 519 CE2 TYR A 33 20.784 27.941 29.473 1.00 0.00 C ATOM 520 CZ TYR A 33 21.643 28.997 29.102 1.00 0.00 C ATOM 521 OH TYR A 33 22.040 29.905 30.033 1.00 0.00 O ATOM 0 H TYR A 33 22.312 25.978 24.302 1.00 0.00 H new ATOM 0 HA TYR A 33 21.669 24.466 26.773 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.113 26.580 25.237 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.457 25.594 26.529 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.943 28.285 25.770 1.00 0.00 H new ATOM 0 HD2 TYR A 33 19.677 26.214 28.789 1.00 0.00 H new ATOM 0 HE1 TYR A 33 22.709 29.935 27.469 1.00 0.00 H new ATOM 0 HE2 TYR A 33 20.455 27.848 30.497 1.00 0.00 H new ATOM 0 HH TYR A 33 22.753 30.465 29.661 1.00 0.00 H new ATOM 531 N TYR A 34 19.642 23.336 25.196 1.00 0.00 N ATOM 532 CA TYR A 34 18.849 22.506 24.280 1.00 0.00 C ATOM 533 C TYR A 34 18.518 23.173 22.929 1.00 0.00 C ATOM 534 O TYR A 34 18.389 24.397 22.827 1.00 0.00 O ATOM 535 CB TYR A 34 17.557 22.036 24.974 1.00 0.00 C ATOM 536 CG TYR A 34 16.509 23.040 25.462 1.00 0.00 C ATOM 537 CD1 TYR A 34 16.769 24.415 25.669 1.00 0.00 C ATOM 538 CD2 TYR A 34 15.249 22.530 25.820 1.00 0.00 C ATOM 539 CE1 TYR A 34 15.816 25.239 26.300 1.00 0.00 C ATOM 540 CE2 TYR A 34 14.279 23.355 26.419 1.00 0.00 C ATOM 541 CZ TYR A 34 14.565 24.705 26.685 1.00 0.00 C ATOM 542 OH TYR A 34 13.630 25.482 27.296 1.00 0.00 O ATOM 0 H TYR A 34 19.218 23.434 26.119 1.00 0.00 H new ATOM 0 HA TYR A 34 19.482 21.653 24.035 1.00 0.00 H new ATOM 0 HB2 TYR A 34 17.053 21.360 24.284 1.00 0.00 H new ATOM 0 HB3 TYR A 34 17.857 21.444 25.838 1.00 0.00 H new ATOM 0 HD1 TYR A 34 17.707 24.837 25.340 1.00 0.00 H new ATOM 0 HD2 TYR A 34 15.022 21.491 25.633 1.00 0.00 H new ATOM 0 HE1 TYR A 34 16.041 26.278 26.489 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.311 22.949 26.675 1.00 0.00 H new ATOM 0 HH TYR A 34 12.832 24.945 27.486 1.00 0.00 H new ATOM 552 N GLN A 35 18.275 22.345 21.903 1.00 0.00 N ATOM 553 CA GLN A 35 17.902 22.764 20.538 1.00 0.00 C ATOM 554 C GLN A 35 16.645 23.656 20.456 1.00 0.00 C ATOM 555 O GLN A 35 16.402 24.316 19.442 1.00 0.00 O ATOM 556 CB GLN A 35 17.731 21.506 19.658 1.00 0.00 C ATOM 557 CG GLN A 35 19.058 21.041 19.024 1.00 0.00 C ATOM 558 CD GLN A 35 19.537 21.959 17.898 1.00 0.00 C ATOM 559 OE1 GLN A 35 18.868 22.904 17.498 1.00 0.00 O ATOM 560 NE2 GLN A 35 20.705 21.739 17.339 1.00 0.00 N ATOM 0 H GLN A 35 18.334 21.331 22.000 1.00 0.00 H new ATOM 0 HA GLN A 35 18.714 23.393 20.173 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.318 20.698 20.262 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.009 21.715 18.869 1.00 0.00 H new ATOM 0 HG2 GLN A 35 19.826 20.992 19.796 1.00 0.00 H new ATOM 0 HG3 GLN A 35 18.933 20.031 18.634 1.00 0.00 H new ATOM 0 HE21 GLN A 35 21.282 20.959 17.653 1.00 0.00 H new ATOM 0 HE22 GLN A 35 21.035 22.348 16.591 1.00 0.00 H new ATOM 569 N SER A 36 15.840 23.708 21.517 1.00 0.00 N ATOM 570 CA SER A 36 14.634 24.535 21.633 1.00 0.00 C ATOM 571 C SER A 36 14.901 26.029 21.879 1.00 0.00 C ATOM 572 O SER A 36 13.991 26.839 21.701 1.00 0.00 O ATOM 573 CB SER A 36 13.797 24.017 22.803 1.00 0.00 C ATOM 574 OG SER A 36 13.651 22.607 22.751 1.00 0.00 O ATOM 0 H SER A 36 16.016 23.153 22.355 1.00 0.00 H new ATOM 0 HA SER A 36 14.125 24.456 20.672 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.269 24.301 23.744 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.814 24.487 22.785 1.00 0.00 H new ATOM 0 HG SER A 36 14.041 22.208 23.557 1.00 0.00 H new ATOM 580 N ALA A 37 16.115 26.408 22.298 1.00 0.00 N ATOM 581 CA ALA A 37 16.421 27.759 22.785 1.00 0.00 C ATOM 582 C ALA A 37 16.331 28.893 21.733 1.00 0.00 C ATOM 583 O ALA A 37 16.357 28.671 20.511 1.00 0.00 O ATOM 584 CB ALA A 37 17.807 27.727 23.442 1.00 0.00 C ATOM 0 H ALA A 37 16.919 25.780 22.309 1.00 0.00 H new ATOM 0 HA ALA A 37 15.639 28.016 23.500 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.057 28.721 23.812 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.800 27.022 24.273 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.550 27.416 22.708 1.00 0.00 H new ATOM 590 N HIS A 38 16.289 30.128 22.246 1.00 0.00 N ATOM 591 CA HIS A 38 16.409 31.418 21.546 1.00 0.00 C ATOM 592 C HIS A 38 17.537 32.257 22.176 1.00 0.00 C ATOM 593 O HIS A 38 18.010 31.929 23.266 1.00 0.00 O ATOM 594 CB HIS A 38 15.066 32.158 21.658 1.00 0.00 C ATOM 595 CG HIS A 38 13.940 31.526 20.886 1.00 0.00 C ATOM 596 ND1 HIS A 38 13.542 31.877 19.592 1.00 0.00 N ATOM 597 CD2 HIS A 38 13.165 30.495 21.323 1.00 0.00 C ATOM 598 CE1 HIS A 38 12.507 31.068 19.297 1.00 0.00 C ATOM 599 NE2 HIS A 38 12.279 30.217 20.310 1.00 0.00 N ATOM 0 H HIS A 38 16.159 30.265 23.248 1.00 0.00 H new ATOM 0 HA HIS A 38 16.653 31.254 20.497 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.783 32.214 22.709 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.199 33.182 21.309 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.233 29.994 22.278 1.00 0.00 H new ATOM 0 HE1 HIS A 38 11.941 31.099 18.377 1.00 0.00 H new ATOM 0 HE2 HIS A 38 11.567 29.486 20.325 1.00 0.00 H new ATOM 607 N GLY A 39 17.942 33.365 21.546 1.00 0.00 N ATOM 608 CA GLY A 39 18.847 34.347 22.164 1.00 0.00 C ATOM 609 C GLY A 39 19.179 35.566 21.297 1.00 0.00 C ATOM 610 O GLY A 39 18.854 35.583 20.112 1.00 0.00 O ATOM 0 H GLY A 39 17.655 33.608 20.598 1.00 0.00 H new ATOM 0 HA2 GLY A 39 18.399 34.695 23.095 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.778 33.844 22.427 1.00 0.00 H new ATOM 614 N TYR A 40 19.785 36.607 21.878 1.00 0.00 N ATOM 615 CA TYR A 40 20.131 37.859 21.181 1.00 0.00 C ATOM 616 C TYR A 40 21.267 38.646 21.862 1.00 0.00 C ATOM 617 O TYR A 40 21.700 38.305 22.963 1.00 0.00 O ATOM 618 CB TYR A 40 18.872 38.724 21.015 1.00 0.00 C ATOM 619 CG TYR A 40 18.413 39.537 22.210 1.00 0.00 C ATOM 620 CD1 TYR A 40 17.727 38.931 23.283 1.00 0.00 C ATOM 621 CD2 TYR A 40 18.586 40.934 22.185 1.00 0.00 C ATOM 622 CE1 TYR A 40 17.169 39.731 24.303 1.00 0.00 C ATOM 623 CE2 TYR A 40 18.038 41.729 23.204 1.00 0.00 C ATOM 624 CZ TYR A 40 17.298 41.136 24.246 1.00 0.00 C ATOM 625 OH TYR A 40 16.667 41.931 25.148 1.00 0.00 O ATOM 0 H TYR A 40 20.055 36.607 22.862 1.00 0.00 H new ATOM 0 HA TYR A 40 20.517 37.586 20.199 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.045 39.412 20.187 1.00 0.00 H new ATOM 0 HB3 TYR A 40 18.052 38.070 20.720 1.00 0.00 H new ATOM 0 HD1 TYR A 40 17.629 37.856 23.324 1.00 0.00 H new ATOM 0 HD2 TYR A 40 19.141 41.395 21.381 1.00 0.00 H new ATOM 0 HE1 TYR A 40 16.644 39.269 25.126 1.00 0.00 H new ATOM 0 HE2 TYR A 40 18.184 42.799 23.189 1.00 0.00 H new ATOM 0 HH TYR A 40 17.333 42.406 25.688 1.00 0.00 H new ATOM 635 N CYS A 41 21.770 39.698 21.207 1.00 0.00 N ATOM 636 CA CYS A 41 22.905 40.509 21.688 1.00 0.00 C ATOM 637 C CYS A 41 22.491 41.617 22.678 1.00 0.00 C ATOM 638 O CYS A 41 22.734 42.803 22.429 1.00 0.00 O ATOM 639 CB CYS A 41 23.731 41.059 20.514 1.00 0.00 C ATOM 640 SG CYS A 41 24.711 39.805 19.663 1.00 0.00 S ATOM 0 H CYS A 41 21.397 40.019 20.313 1.00 0.00 H new ATOM 0 HA CYS A 41 23.544 39.836 22.260 1.00 0.00 H new ATOM 0 HB2 CYS A 41 23.058 41.529 19.797 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.397 41.838 20.884 1.00 0.00 H new ATOM 645 N TYR A 42 21.882 41.237 23.804 1.00 0.00 N ATOM 646 CA TYR A 42 21.445 42.167 24.853 1.00 0.00 C ATOM 647 C TYR A 42 22.661 42.887 25.457 1.00 0.00 C ATOM 648 O TYR A 42 23.555 42.243 26.016 1.00 0.00 O ATOM 649 CB TYR A 42 20.649 41.399 25.923 1.00 0.00 C ATOM 650 CG TYR A 42 20.025 42.211 27.053 1.00 0.00 C ATOM 651 CD1 TYR A 42 19.917 41.632 28.336 1.00 0.00 C ATOM 652 CD2 TYR A 42 19.484 43.494 26.825 1.00 0.00 C ATOM 653 CE1 TYR A 42 19.269 42.320 29.382 1.00 0.00 C ATOM 654 CE2 TYR A 42 18.850 44.192 27.873 1.00 0.00 C ATOM 655 CZ TYR A 42 18.727 43.603 29.149 1.00 0.00 C ATOM 656 OH TYR A 42 18.078 44.269 30.140 1.00 0.00 O ATOM 0 H TYR A 42 21.675 40.261 24.017 1.00 0.00 H new ATOM 0 HA TYR A 42 20.791 42.927 24.425 1.00 0.00 H new ATOM 0 HB2 TYR A 42 19.851 40.852 25.421 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.312 40.657 26.368 1.00 0.00 H new ATOM 0 HD1 TYR A 42 20.335 40.653 28.518 1.00 0.00 H new ATOM 0 HD2 TYR A 42 19.556 43.942 25.845 1.00 0.00 H new ATOM 0 HE1 TYR A 42 19.187 41.867 30.359 1.00 0.00 H new ATOM 0 HE2 TYR A 42 18.457 45.182 27.698 1.00 0.00 H new ATOM 0 HH TYR A 42 17.771 45.137 29.804 1.00 0.00 H new ATOM 666 N ALA A 43 22.737 44.209 25.286 1.00 0.00 N ATOM 667 CA ALA A 43 23.904 45.028 25.619 1.00 0.00 C ATOM 668 C ALA A 43 25.232 44.434 25.079 1.00 0.00 C ATOM 669 O ALA A 43 26.219 44.294 25.815 1.00 0.00 O ATOM 670 CB ALA A 43 23.881 45.357 27.115 1.00 0.00 C ATOM 0 H ALA A 43 21.966 44.754 24.901 1.00 0.00 H new ATOM 0 HA ALA A 43 23.847 45.981 25.093 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.749 45.967 27.367 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.970 45.906 27.353 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.908 44.432 27.691 1.00 0.00 H new ATOM 676 N PHE A 44 25.235 44.070 23.785 1.00 0.00 N ATOM 677 CA PHE A 44 26.392 43.572 23.021 1.00 0.00 C ATOM 678 C PHE A 44 26.998 42.231 23.500 1.00 0.00 C ATOM 679 O PHE A 44 28.184 41.974 23.276 1.00 0.00 O ATOM 680 CB PHE A 44 27.439 44.694 22.833 1.00 0.00 C ATOM 681 CG PHE A 44 26.912 45.966 22.189 1.00 0.00 C ATOM 682 CD1 PHE A 44 26.450 47.031 22.985 1.00 0.00 C ATOM 683 CD2 PHE A 44 26.903 46.091 20.787 1.00 0.00 C ATOM 684 CE1 PHE A 44 25.968 48.206 22.384 1.00 0.00 C ATOM 685 CE2 PHE A 44 26.429 47.273 20.186 1.00 0.00 C ATOM 686 CZ PHE A 44 25.957 48.330 20.984 1.00 0.00 C ATOM 0 H PHE A 44 24.390 44.117 23.216 1.00 0.00 H new ATOM 0 HA PHE A 44 25.999 43.299 22.042 1.00 0.00 H new ATOM 0 HB2 PHE A 44 27.858 44.945 23.807 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.257 44.308 22.224 1.00 0.00 H new ATOM 0 HD1 PHE A 44 26.466 46.945 24.061 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.260 45.279 20.171 1.00 0.00 H new ATOM 0 HE1 PHE A 44 25.605 49.016 22.999 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.428 47.368 19.110 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.587 49.234 20.523 1.00 0.00 H new ATOM 696 N ALA A 45 26.212 41.349 24.131 1.00 0.00 N ATOM 697 CA ALA A 45 26.622 39.976 24.468 1.00 0.00 C ATOM 698 C ALA A 45 25.456 38.973 24.440 1.00 0.00 C ATOM 699 O ALA A 45 24.313 39.347 24.709 1.00 0.00 O ATOM 700 CB ALA A 45 27.322 39.984 25.832 1.00 0.00 C ATOM 0 H ALA A 45 25.261 41.570 24.426 1.00 0.00 H new ATOM 0 HA ALA A 45 27.315 39.634 23.700 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.629 38.970 26.089 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.200 40.629 25.787 1.00 0.00 H new ATOM 0 HB3 ALA A 45 26.635 40.359 26.591 1.00 0.00 H new ATOM 706 N CYS A 46 25.736 37.706 24.108 1.00 0.00 N ATOM 707 CA CYS A 46 24.687 36.709 23.859 1.00 0.00 C ATOM 708 C CYS A 46 23.903 36.325 25.130 1.00 0.00 C ATOM 709 O CYS A 46 24.406 35.642 26.025 1.00 0.00 O ATOM 710 CB CYS A 46 25.252 35.453 23.177 1.00 0.00 C ATOM 711 SG CYS A 46 25.853 35.633 21.473 1.00 0.00 S ATOM 0 H CYS A 46 26.685 37.346 24.005 1.00 0.00 H new ATOM 0 HA CYS A 46 23.980 37.187 23.181 1.00 0.00 H new ATOM 0 HB2 CYS A 46 26.074 35.078 23.787 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.476 34.688 23.182 1.00 0.00 H new ATOM 716 N TRP A 47 22.637 36.731 25.149 1.00 0.00 N ATOM 717 CA TRP A 47 21.637 36.460 26.177 1.00 0.00 C ATOM 718 C TRP A 47 20.585 35.506 25.606 1.00 0.00 C ATOM 719 O TRP A 47 19.902 35.845 24.639 1.00 0.00 O ATOM 720 CB TRP A 47 21.035 37.813 26.573 1.00 0.00 C ATOM 721 CG TRP A 47 20.177 37.862 27.795 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.846 38.094 27.817 1.00 0.00 C ATOM 723 CD2 TRP A 47 20.597 37.824 29.190 1.00 0.00 C ATOM 724 NE1 TRP A 47 18.424 38.238 29.124 1.00 0.00 N ATOM 725 CE2 TRP A 47 19.472 38.123 30.013 1.00 0.00 C ATOM 726 CE3 TRP A 47 21.836 37.644 29.838 1.00 0.00 C ATOM 727 CZ2 TRP A 47 19.582 38.280 31.402 1.00 0.00 C ATOM 728 CZ3 TRP A 47 21.957 37.782 31.235 1.00 0.00 C ATOM 729 CH2 TRP A 47 20.837 38.117 32.015 1.00 0.00 C ATOM 0 H TRP A 47 22.256 37.299 24.392 1.00 0.00 H new ATOM 0 HA TRP A 47 22.062 35.981 27.059 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.855 38.517 26.711 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.442 38.175 25.733 1.00 0.00 H new ATOM 0 HD1 TRP A 47 18.210 38.157 26.946 1.00 0.00 H new ATOM 0 HE1 TRP A 47 17.456 38.408 29.398 1.00 0.00 H new ATOM 0 HE3 TRP A 47 22.709 37.396 29.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 18.712 38.523 31.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 22.915 37.630 31.709 1.00 0.00 H new ATOM 0 HH2 TRP A 47 20.940 38.249 33.082 1.00 0.00 H new ATOM 740 N CYS A 48 20.501 34.294 26.147 1.00 0.00 N ATOM 741 CA CYS A 48 19.577 33.255 25.707 1.00 0.00 C ATOM 742 C CYS A 48 18.217 33.383 26.425 1.00 0.00 C ATOM 743 O CYS A 48 18.147 33.698 27.616 1.00 0.00 O ATOM 744 CB CYS A 48 20.225 31.871 25.878 1.00 0.00 C ATOM 745 SG CYS A 48 21.900 31.661 25.187 1.00 0.00 S ATOM 0 H CYS A 48 21.091 34.000 26.926 1.00 0.00 H new ATOM 0 HA CYS A 48 19.367 33.382 24.645 1.00 0.00 H new ATOM 0 HB2 CYS A 48 20.265 31.643 26.943 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.571 31.130 25.418 1.00 0.00 H new ATOM 750 N THR A 49 17.125 33.129 25.702 1.00 0.00 N ATOM 751 CA THR A 49 15.743 33.403 26.137 1.00 0.00 C ATOM 752 C THR A 49 14.820 32.202 25.925 1.00 0.00 C ATOM 753 O THR A 49 15.156 31.265 25.197 1.00 0.00 O ATOM 754 CB THR A 49 15.169 34.662 25.452 1.00 0.00 C ATOM 755 OG1 THR A 49 14.908 34.459 24.078 1.00 0.00 O ATOM 756 CG2 THR A 49 16.074 35.890 25.569 1.00 0.00 C ATOM 0 H THR A 49 17.173 32.715 24.771 1.00 0.00 H new ATOM 0 HA THR A 49 15.789 33.593 27.209 1.00 0.00 H new ATOM 0 HB THR A 49 14.240 34.849 25.991 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.021 34.057 23.969 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.607 36.736 25.065 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.224 36.132 26.621 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.037 35.678 25.105 1.00 0.00 H new ATOM 764 N HIS A 50 13.644 32.244 26.566 1.00 0.00 N ATOM 765 CA HIS A 50 12.612 31.193 26.535 1.00 0.00 C ATOM 766 C HIS A 50 13.129 29.844 27.073 1.00 0.00 C ATOM 767 O HIS A 50 12.999 28.812 26.413 1.00 0.00 O ATOM 768 CB HIS A 50 11.959 31.095 25.138 1.00 0.00 C ATOM 769 CG HIS A 50 11.483 32.413 24.571 1.00 0.00 C ATOM 770 ND1 HIS A 50 12.277 33.331 23.876 1.00 0.00 N ATOM 771 CD2 HIS A 50 10.223 32.925 24.698 1.00 0.00 C ATOM 772 CE1 HIS A 50 11.480 34.381 23.624 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.239 34.159 24.087 1.00 0.00 N ATOM 0 H HIS A 50 13.373 33.040 27.143 1.00 0.00 H new ATOM 0 HA HIS A 50 11.820 31.484 27.225 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.677 30.655 24.446 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.112 30.412 25.195 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.380 32.455 25.182 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.794 35.282 23.118 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.446 34.794 24.001 1.00 0.00 H new ATOM 781 N LEU A 51 13.775 29.865 28.246 1.00 0.00 N ATOM 782 CA LEU A 51 14.504 28.727 28.828 1.00 0.00 C ATOM 783 C LEU A 51 13.770 28.059 30.006 1.00 0.00 C ATOM 784 O LEU A 51 12.906 28.655 30.653 1.00 0.00 O ATOM 785 CB LEU A 51 15.896 29.193 29.299 1.00 0.00 C ATOM 786 CG LEU A 51 16.740 29.983 28.283 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.047 30.390 28.956 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.070 29.174 27.029 1.00 0.00 C ATOM 0 H LEU A 51 13.807 30.698 28.834 1.00 0.00 H new ATOM 0 HA LEU A 51 14.585 27.978 28.040 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.765 29.811 30.187 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.464 28.314 29.603 1.00 0.00 H new ATOM 0 HG LEU A 51 16.155 30.848 27.970 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.660 30.952 28.251 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.831 31.012 29.825 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.586 29.497 29.274 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.666 29.783 26.350 1.00 0.00 H new ATOM 0 HD22 LEU A 51 17.634 28.284 27.308 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.145 28.877 26.534 1.00 0.00 H new ATOM 800 N TYR A 52 14.188 26.837 30.345 1.00 0.00 N ATOM 801 CA TYR A 52 13.774 26.141 31.566 1.00 0.00 C ATOM 802 C TYR A 52 14.160 26.885 32.859 1.00 0.00 C ATOM 803 O TYR A 52 15.117 27.664 32.902 1.00 0.00 O ATOM 804 CB TYR A 52 14.333 24.701 31.587 1.00 0.00 C ATOM 805 CG TYR A 52 15.657 24.444 30.878 1.00 0.00 C ATOM 806 CD1 TYR A 52 15.702 23.507 29.826 1.00 0.00 C ATOM 807 CD2 TYR A 52 16.840 25.093 31.287 1.00 0.00 C ATOM 808 CE1 TYR A 52 16.923 23.202 29.199 1.00 0.00 C ATOM 809 CE2 TYR A 52 18.068 24.789 30.659 1.00 0.00 C ATOM 810 CZ TYR A 52 18.111 23.831 29.622 1.00 0.00 C ATOM 811 OH TYR A 52 19.296 23.492 29.044 1.00 0.00 O ATOM 0 H TYR A 52 14.833 26.295 29.770 1.00 0.00 H new ATOM 0 HA TYR A 52 12.685 26.110 31.542 1.00 0.00 H new ATOM 0 HB2 TYR A 52 14.447 24.401 32.629 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.583 24.044 31.146 1.00 0.00 H new ATOM 0 HD1 TYR A 52 14.794 23.021 29.500 1.00 0.00 H new ATOM 0 HD2 TYR A 52 16.807 25.824 32.082 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.950 22.485 28.392 1.00 0.00 H new ATOM 0 HE2 TYR A 52 18.973 25.289 30.971 1.00 0.00 H new ATOM 0 HH TYR A 52 20.019 24.017 29.447 1.00 0.00 H new ATOM 821 N GLU A 53 13.464 26.571 33.958 1.00 0.00 N ATOM 822 CA GLU A 53 13.707 27.158 35.289 1.00 0.00 C ATOM 823 C GLU A 53 15.158 26.978 35.786 1.00 0.00 C ATOM 824 O GLU A 53 15.644 27.778 36.588 1.00 0.00 O ATOM 825 CB GLU A 53 12.751 26.537 36.326 1.00 0.00 C ATOM 826 CG GLU A 53 11.259 26.642 35.991 1.00 0.00 C ATOM 827 CD GLU A 53 10.801 28.077 35.740 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.693 28.866 36.711 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.514 28.422 34.569 1.00 0.00 O1- ATOM 0 H GLU A 53 12.703 25.892 33.952 1.00 0.00 H new ATOM 0 HA GLU A 53 13.527 28.228 35.181 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.006 25.484 36.445 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.925 27.018 37.289 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.048 26.040 35.107 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.678 26.220 36.811 1.00 0.00 H new ATOM 836 N GLN A 54 15.877 25.969 35.281 1.00 0.00 N ATOM 837 CA GLN A 54 17.264 25.671 35.658 1.00 0.00 C ATOM 838 C GLN A 54 18.324 26.656 35.098 1.00 0.00 C ATOM 839 O GLN A 54 19.510 26.495 35.404 1.00 0.00 O ATOM 840 CB GLN A 54 17.596 24.218 35.270 1.00 0.00 C ATOM 841 CG GLN A 54 16.743 23.155 35.998 1.00 0.00 C ATOM 842 CD GLN A 54 17.263 21.729 35.791 1.00 0.00 C ATOM 843 OE1 GLN A 54 18.314 21.488 35.205 1.00 0.00 O ATOM 844 NE2 GLN A 54 16.575 20.713 36.259 1.00 0.00 N ATOM 0 H GLN A 54 15.504 25.324 34.585 1.00 0.00 H new ATOM 0 HA GLN A 54 17.321 25.802 36.739 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.461 24.101 34.195 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.649 24.029 35.481 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.726 23.379 37.065 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.714 23.216 35.643 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.697 20.875 36.752 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.919 19.761 36.130 1.00 0.00 H new ATOM 853 N ALA A 55 17.942 27.648 34.280 1.00 0.00 N ATOM 854 CA ALA A 55 18.859 28.608 33.640 1.00 0.00 C ATOM 855 C ALA A 55 19.648 29.507 34.622 1.00 0.00 C ATOM 856 O ALA A 55 19.237 29.713 35.768 1.00 0.00 O ATOM 857 CB ALA A 55 18.054 29.461 32.651 1.00 0.00 C ATOM 0 H ALA A 55 16.964 27.810 34.038 1.00 0.00 H new ATOM 0 HA ALA A 55 19.625 28.024 33.130 1.00 0.00 H new ATOM 0 HB1 ALA A 55 18.716 30.179 32.167 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.604 28.816 31.897 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.269 29.995 33.186 1.00 0.00 H new ATOM 863 N VAL A 56 20.768 30.077 34.155 1.00 0.00 N ATOM 864 CA VAL A 56 21.716 30.895 34.944 1.00 0.00 C ATOM 865 C VAL A 56 22.330 32.038 34.112 1.00 0.00 C ATOM 866 O VAL A 56 22.427 31.947 32.888 1.00 0.00 O ATOM 867 CB VAL A 56 22.782 29.990 35.602 1.00 0.00 C ATOM 868 CG1 VAL A 56 23.682 29.295 34.575 1.00 0.00 C ATOM 869 CG2 VAL A 56 23.677 30.750 36.587 1.00 0.00 C ATOM 0 H VAL A 56 21.054 29.981 33.181 1.00 0.00 H new ATOM 0 HA VAL A 56 21.162 31.386 35.744 1.00 0.00 H new ATOM 0 HB VAL A 56 22.206 29.240 36.144 1.00 0.00 H new ATOM 0 HG11 VAL A 56 24.412 28.673 35.093 1.00 0.00 H new ATOM 0 HG12 VAL A 56 23.073 28.672 33.920 1.00 0.00 H new ATOM 0 HG13 VAL A 56 24.202 30.046 33.980 1.00 0.00 H new ATOM 0 HG21 VAL A 56 24.407 30.065 37.019 1.00 0.00 H new ATOM 0 HG22 VAL A 56 24.198 31.551 36.062 1.00 0.00 H new ATOM 0 HG23 VAL A 56 23.064 31.175 37.382 1.00 0.00 H new ATOM 879 N VAL A 57 22.721 33.134 34.768 1.00 0.00 N ATOM 880 CA VAL A 57 23.138 34.407 34.144 1.00 0.00 C ATOM 881 C VAL A 57 24.598 34.806 34.446 1.00 0.00 C ATOM 882 O VAL A 57 25.197 34.333 35.415 1.00 0.00 O ATOM 883 CB VAL A 57 22.155 35.539 34.512 1.00 0.00 C ATOM 884 CG1 VAL A 57 20.781 35.312 33.870 1.00 0.00 C ATOM 885 CG2 VAL A 57 21.966 35.696 36.024 1.00 0.00 C ATOM 0 H VAL A 57 22.760 33.167 35.787 1.00 0.00 H new ATOM 0 HA VAL A 57 23.104 34.243 33.067 1.00 0.00 H new ATOM 0 HB VAL A 57 22.604 36.453 34.125 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.111 36.126 34.148 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.886 35.283 32.786 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.368 34.366 34.220 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.264 36.507 36.221 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.574 34.768 36.440 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.925 35.925 36.489 1.00 0.00 H new ATOM 895 N TRP A 58 25.136 35.694 33.598 1.00 0.00 N ATOM 896 CA TRP A 58 26.496 36.280 33.562 1.00 0.00 C ATOM 897 C TRP A 58 27.710 35.313 33.447 1.00 0.00 C ATOM 898 O TRP A 58 27.559 34.102 33.635 1.00 0.00 O ATOM 899 CB TRP A 58 26.593 37.336 34.675 1.00 0.00 C ATOM 900 CG TRP A 58 25.480 38.337 34.598 1.00 0.00 C ATOM 901 CD1 TRP A 58 25.174 39.074 33.505 1.00 0.00 C ATOM 902 CD2 TRP A 58 24.440 38.629 35.580 1.00 0.00 C ATOM 903 NE1 TRP A 58 23.984 39.738 33.710 1.00 0.00 N ATOM 904 CE2 TRP A 58 23.472 39.474 34.960 1.00 0.00 C ATOM 905 CE3 TRP A 58 24.198 38.243 36.916 1.00 0.00 C ATOM 906 CZ2 TRP A 58 22.293 39.859 35.604 1.00 0.00 C ATOM 907 CZ3 TRP A 58 23.032 38.663 37.589 1.00 0.00 C ATOM 908 CH2 TRP A 58 22.073 39.456 36.932 1.00 0.00 C ATOM 0 H TRP A 58 24.571 36.064 32.834 1.00 0.00 H new ATOM 0 HA TRP A 58 26.604 36.757 32.588 1.00 0.00 H new ATOM 0 HB2 TRP A 58 26.570 36.842 35.646 1.00 0.00 H new ATOM 0 HB3 TRP A 58 27.550 37.852 34.603 1.00 0.00 H new ATOM 0 HD1 TRP A 58 25.772 39.133 32.608 1.00 0.00 H new ATOM 0 HE1 TRP A 58 23.539 40.347 33.023 1.00 0.00 H new ATOM 0 HE3 TRP A 58 24.914 37.618 37.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 21.559 40.459 35.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 22.874 38.374 38.617 1.00 0.00 H new ATOM 0 HH2 TRP A 58 21.171 39.754 37.447 1.00 0.00 H new ATOM 919 N PRO A 59 28.918 35.807 33.077 1.00 0.00 N ATOM 920 CA PRO A 59 30.126 34.983 32.909 1.00 0.00 C ATOM 921 C PRO A 59 30.505 34.209 34.177 1.00 0.00 C ATOM 922 O PRO A 59 30.353 34.730 35.287 1.00 0.00 O ATOM 923 CB PRO A 59 31.248 35.945 32.502 1.00 0.00 C ATOM 924 CG PRO A 59 30.496 37.101 31.849 1.00 0.00 C ATOM 925 CD PRO A 59 29.223 37.180 32.679 1.00 0.00 C ATOM 0 HA PRO A 59 29.949 34.219 32.152 1.00 0.00 H new ATOM 0 HB2 PRO A 59 31.826 36.277 33.364 1.00 0.00 H new ATOM 0 HB3 PRO A 59 31.948 35.477 31.809 1.00 0.00 H new ATOM 0 HG2 PRO A 59 31.065 38.030 31.890 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.283 36.904 30.798 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.365 37.817 33.552 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.405 37.610 32.100 1.00 0.00 H new ATOM 933 N LEU A 60 31.026 32.984 34.022 1.00 0.00 N ATOM 934 CA LEU A 60 31.211 32.041 35.134 1.00 0.00 C ATOM 935 C LEU A 60 32.048 32.645 36.281 1.00 0.00 C ATOM 936 O LEU A 60 33.203 33.016 36.054 1.00 0.00 O ATOM 937 CB LEU A 60 31.863 30.738 34.629 1.00 0.00 C ATOM 938 CG LEU A 60 31.759 29.594 35.658 1.00 0.00 C ATOM 939 CD1 LEU A 60 30.388 28.920 35.594 1.00 0.00 C ATOM 940 CD2 LEU A 60 32.842 28.547 35.422 1.00 0.00 C ATOM 0 H LEU A 60 31.332 32.618 33.120 1.00 0.00 H new ATOM 0 HA LEU A 60 30.222 31.819 35.535 1.00 0.00 H new ATOM 0 HB2 LEU A 60 31.384 30.432 33.699 1.00 0.00 H new ATOM 0 HB3 LEU A 60 32.912 30.924 34.401 1.00 0.00 H new ATOM 0 HG LEU A 60 31.895 30.035 36.646 1.00 0.00 H new ATOM 0 HD11 LEU A 60 30.342 28.117 36.330 1.00 0.00 H new ATOM 0 HD12 LEU A 60 29.611 29.654 35.809 1.00 0.00 H new ATOM 0 HD13 LEU A 60 30.231 28.508 34.597 1.00 0.00 H new ATOM 0 HD21 LEU A 60 32.746 27.752 36.161 1.00 0.00 H new ATOM 0 HD22 LEU A 60 32.731 28.128 34.422 1.00 0.00 H new ATOM 0 HD23 LEU A 60 33.824 29.012 35.514 1.00 0.00 H new ATOM 952 N PRO A 61 31.531 32.714 37.522 1.00 0.00 N ATOM 953 CA PRO A 61 32.231 33.374 38.623 1.00 0.00 C ATOM 954 C PRO A 61 33.403 32.547 39.189 1.00 0.00 C ATOM 955 O PRO A 61 34.298 33.097 39.833 1.00 0.00 O ATOM 956 CB PRO A 61 31.135 33.614 39.663 1.00 0.00 C ATOM 957 CG PRO A 61 30.183 32.438 39.470 1.00 0.00 C ATOM 958 CD PRO A 61 30.210 32.265 37.953 1.00 0.00 C ATOM 0 HA PRO A 61 32.714 34.295 38.297 1.00 0.00 H new ATOM 0 HB2 PRO A 61 31.542 33.637 40.674 1.00 0.00 H new ATOM 0 HB3 PRO A 61 30.631 34.567 39.500 1.00 0.00 H new ATOM 0 HG2 PRO A 61 30.526 31.544 39.990 1.00 0.00 H new ATOM 0 HG3 PRO A 61 29.181 32.657 39.839 1.00 0.00 H new ATOM 0 HD2 PRO A 61 30.041 31.224 37.676 1.00 0.00 H new ATOM 0 HD3 PRO A 61 29.424 32.853 37.479 1.00 0.00 H new ATOM 966 N ASN A 62 33.416 31.230 38.957 1.00 0.00 N ATOM 967 CA ASN A 62 34.350 30.288 39.586 1.00 0.00 C ATOM 968 C ASN A 62 35.746 30.204 38.936 1.00 0.00 C ATOM 969 O ASN A 62 36.716 29.860 39.618 1.00 0.00 O ATOM 970 CB ASN A 62 33.677 28.908 39.603 1.00 0.00 C ATOM 971 CG ASN A 62 32.655 28.792 40.714 1.00 0.00 C ATOM 972 OD1 ASN A 62 31.450 28.820 40.489 1.00 0.00 O ATOM 973 ND2 ASN A 62 33.113 28.687 41.938 1.00 0.00 N ATOM 0 H ASN A 62 32.765 30.779 38.314 1.00 0.00 H new ATOM 0 HA ASN A 62 34.553 30.661 40.590 1.00 0.00 H new ATOM 0 HB2 ASN A 62 33.192 28.729 38.643 1.00 0.00 H new ATOM 0 HB3 ASN A 62 34.436 28.135 39.726 1.00 0.00 H new ATOM 0 HD21 ASN A 62 32.463 28.627 42.722 1.00 0.00 H new ATOM 0 HD22 ASN A 62 34.119 28.665 42.106 1.00 0.00 H new ATOM 980 N LYS A 63 35.847 30.505 37.640 1.00 0.00 N ATOM 981 CA LYS A 63 37.088 30.509 36.837 1.00 0.00 C ATOM 982 C LYS A 63 37.440 31.911 36.328 1.00 0.00 C ATOM 983 O LYS A 63 36.556 32.747 36.137 1.00 0.00 O ATOM 984 CB LYS A 63 36.948 29.539 35.646 1.00 0.00 C ATOM 985 CG LYS A 63 36.783 28.053 36.015 1.00 0.00 C ATOM 986 CD LYS A 63 38.050 27.442 36.637 1.00 0.00 C ATOM 987 CE LYS A 63 37.918 25.938 36.923 1.00 0.00 C ATOM 988 NZ LYS A 63 37.672 25.140 35.696 1.00 0.00 N1+ ATOM 0 H LYS A 63 35.030 30.766 37.088 1.00 0.00 H new ATOM 0 HA LYS A 63 37.899 30.181 37.487 1.00 0.00 H new ATOM 0 HB2 LYS A 63 36.088 29.845 35.050 1.00 0.00 H new ATOM 0 HB3 LYS A 63 37.828 29.642 35.011 1.00 0.00 H new ATOM 0 HG2 LYS A 63 35.955 27.949 36.716 1.00 0.00 H new ATOM 0 HG3 LYS A 63 36.517 27.490 35.120 1.00 0.00 H new ATOM 0 HD2 LYS A 63 38.892 27.605 35.965 1.00 0.00 H new ATOM 0 HD3 LYS A 63 38.279 27.964 37.566 1.00 0.00 H new ATOM 0 HE2 LYS A 63 38.829 25.583 37.406 1.00 0.00 H new ATOM 0 HE3 LYS A 63 37.101 25.777 37.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 37.726 24.127 35.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 36.727 25.361 35.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 38.390 25.373 34.981 1.00 0.00 H new ATOM 1002 N ARG A 64 38.723 32.154 36.055 1.00 0.00 N ATOM 1003 CA ARG A 64 39.241 33.350 35.353 1.00 0.00 C ATOM 1004 C ARG A 64 39.216 33.139 33.828 1.00 0.00 C ATOM 1005 O ARG A 64 39.040 32.010 33.365 1.00 0.00 O ATOM 1006 CB ARG A 64 40.652 33.674 35.884 1.00 0.00 C ATOM 1007 CG ARG A 64 40.707 34.512 37.181 1.00 0.00 C ATOM 1008 CD ARG A 64 39.844 34.042 38.369 1.00 0.00 C ATOM 1009 NE ARG A 64 38.470 34.572 38.291 1.00 0.00 N ATOM 1010 CZ ARG A 64 37.393 34.209 38.957 1.00 0.00 C ATOM 1011 NH1 ARG A 64 37.374 33.262 39.848 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 36.276 34.817 38.712 1.00 0.00 N ATOM 0 H ARG A 64 39.464 31.506 36.322 1.00 0.00 H new ATOM 0 HA ARG A 64 38.600 34.208 35.554 1.00 0.00 H new ATOM 0 HB2 ARG A 64 41.179 32.736 36.058 1.00 0.00 H new ATOM 0 HB3 ARG A 64 41.199 34.207 35.106 1.00 0.00 H new ATOM 0 HG2 ARG A 64 41.744 34.550 37.513 1.00 0.00 H new ATOM 0 HG3 ARG A 64 40.413 35.532 36.935 1.00 0.00 H new ATOM 0 HD2 ARG A 64 39.813 32.953 38.387 1.00 0.00 H new ATOM 0 HD3 ARG A 64 40.305 34.363 39.303 1.00 0.00 H new ATOM 0 HE ARG A 64 38.334 35.331 37.623 1.00 0.00 H new ATOM 0 HH11 ARG A 64 38.229 32.750 40.067 1.00 0.00 H new ATOM 0 HH12 ARG A 64 36.504 33.031 40.328 1.00 0.00 H new ATOM 0 HH21 ARG A 64 36.242 35.561 38.015 1.00 0.00 H new ATOM 0 HH22 ARG A 64 35.430 34.552 39.216 1.00 0.00 H new ATOM 1026 N CYS A 65 39.339 34.208 33.043 1.00 0.00 N ATOM 1027 CA CYS A 65 39.337 34.166 31.573 1.00 0.00 C ATOM 1028 C CYS A 65 40.719 33.840 30.962 1.00 0.00 C ATOM 1029 O CYS A 65 41.733 34.416 31.357 1.00 0.00 O ATOM 1030 CB CYS A 65 38.781 35.490 31.029 1.00 0.00 C ATOM 1031 SG CYS A 65 38.825 35.658 29.218 1.00 0.00 S ATOM 0 H CYS A 65 39.446 35.152 33.415 1.00 0.00 H new ATOM 0 HA CYS A 65 38.691 33.342 31.270 1.00 0.00 H new ATOM 0 HB2 CYS A 65 37.749 35.598 31.364 1.00 0.00 H new ATOM 0 HB3 CYS A 65 39.346 36.312 31.469 1.00 0.00 H new ATOM 1036 N LYS A 66 40.740 32.967 29.943 1.00 0.00 N ATOM 1037 CA LYS A 66 41.916 32.600 29.119 1.00 0.00 C ATOM 1038 C LYS A 66 42.380 33.721 28.167 1.00 0.00 C ATOM 1039 O LYS A 66 41.758 34.782 28.062 1.00 0.00 O ATOM 1040 CB LYS A 66 41.583 31.305 28.344 1.00 0.00 C ATOM 1041 CG LYS A 66 41.473 30.096 29.287 1.00 0.00 C ATOM 1042 CD LYS A 66 40.859 28.872 28.595 1.00 0.00 C ATOM 1043 CE LYS A 66 40.421 27.855 29.655 1.00 0.00 C ATOM 1044 NZ LYS A 66 39.691 26.722 29.052 1.00 0.00 N1+ ATOM 0 H LYS A 66 39.898 32.470 29.652 1.00 0.00 H new ATOM 0 HA LYS A 66 42.760 32.437 29.790 1.00 0.00 H new ATOM 0 HB2 LYS A 66 40.644 31.434 27.805 1.00 0.00 H new ATOM 0 HB3 LYS A 66 42.356 31.117 27.599 1.00 0.00 H new ATOM 0 HG2 LYS A 66 42.464 29.840 29.662 1.00 0.00 H new ATOM 0 HG3 LYS A 66 40.865 30.366 30.150 1.00 0.00 H new ATOM 0 HD2 LYS A 66 40.004 29.173 27.989 1.00 0.00 H new ATOM 0 HD3 LYS A 66 41.585 28.420 27.919 1.00 0.00 H new ATOM 0 HE2 LYS A 66 41.297 27.483 30.187 1.00 0.00 H new ATOM 0 HE3 LYS A 66 39.786 28.347 30.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 38.802 26.568 29.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 39.481 26.935 28.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 40.276 25.864 29.106 1.00 0.00 H new HETATM 1058 N NH2 A 67 43.484 33.507 27.467 1.00 0.00 N TER 1061 NH2 A 67