USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 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 75:sc= 1.11 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0.809 K(o=1.9,f=-2.2!) USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 1 LYS N :NH3+ -170:sc= 2.22 (180deg=2.08) USER MOD Single : A 1 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.2) USER MOD Single : A 4 TYR OH : rot 130:sc= -0.397 USER MOD Single : A 10 THR OG1 : rot -86:sc= 1.24 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.505 K(o=0.5,f=0) USER MOD Single : A 24 TYR OH : rot 26:sc= 1.23 USER MOD Single : A 33 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 TYR OH : rot -129:sc= 1.28 USER MOD Single : A 35 GLN : amide:sc= 0.899 K(o=0.9,f=-6.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0.136 K(o=0.14,f=-1.9!) 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 X(o=0,f=-0.25) USER MOD Single : A 62 ASN : amide:sc= 0.324 K(o=0.32,f=-3.3!) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 0.127 (180deg=0.076) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.284 31.026 31.372 1.00 0.00 N ATOM 2 CA LYS A 1 13.513 31.579 31.981 1.00 0.00 C ATOM 3 C LYS A 1 14.455 32.114 30.908 1.00 0.00 C ATOM 4 O LYS A 1 14.441 31.631 29.778 1.00 0.00 O ATOM 5 CB LYS A 1 14.187 30.543 32.903 1.00 0.00 C ATOM 6 CG LYS A 1 15.132 31.160 33.951 1.00 0.00 C ATOM 7 CD LYS A 1 15.622 30.115 34.965 1.00 0.00 C ATOM 8 CE LYS A 1 16.229 30.789 36.205 1.00 0.00 C ATOM 9 NZ LYS A 1 16.199 29.887 37.383 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.588 30.824 32.118 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.886 31.717 30.705 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.513 30.147 30.865 1.00 0.00 H new ATOM 0 HA LYS A 1 13.240 32.425 32.611 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.414 29.972 33.417 1.00 0.00 H new ATOM 0 HB3 LYS A 1 14.750 29.839 32.291 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.989 31.608 33.448 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.616 31.963 34.477 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.791 29.477 35.265 1.00 0.00 H new ATOM 0 HD3 LYS A 1 16.366 29.470 34.497 1.00 0.00 H new ATOM 0 HE2 LYS A 1 17.258 31.081 35.995 1.00 0.00 H new ATOM 0 HE3 LYS A 1 15.678 31.702 36.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 16.600 30.379 38.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 15.216 29.615 37.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 16.759 29.034 37.182 1.00 0.00 H new ATOM 25 N GLU A 2 15.285 33.093 31.258 1.00 0.00 N ATOM 26 CA GLU A 2 16.273 33.738 30.379 1.00 0.00 C ATOM 27 C GLU A 2 17.634 33.874 31.089 1.00 0.00 C ATOM 28 O GLU A 2 17.716 33.680 32.306 1.00 0.00 O ATOM 29 CB GLU A 2 15.759 35.124 29.952 1.00 0.00 C ATOM 30 CG GLU A 2 14.409 35.077 29.223 1.00 0.00 C ATOM 31 CD GLU A 2 13.938 36.462 28.771 1.00 0.00 C ATOM 32 OE1 GLU A 2 12.718 36.759 28.920 1.00 0.00 O ATOM 33 OE2 GLU A 2 14.749 37.248 28.241 1.00 0.00 O1- ATOM 0 H GLU A 2 15.293 33.480 32.202 1.00 0.00 H new ATOM 0 HA GLU A 2 16.412 33.115 29.496 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.665 35.756 30.835 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.498 35.593 29.302 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.491 34.424 28.355 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.659 34.639 29.882 1.00 0.00 H new ATOM 40 N GLY A 3 18.702 34.217 30.361 1.00 0.00 N ATOM 41 CA GLY A 3 19.987 34.544 30.991 1.00 0.00 C ATOM 42 C GLY A 3 21.157 34.814 30.040 1.00 0.00 C ATOM 43 O GLY A 3 21.092 34.586 28.834 1.00 0.00 O ATOM 0 H GLY A 3 18.704 34.275 29.343 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.846 35.423 31.620 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.264 33.722 31.651 1.00 0.00 H new ATOM 47 N TYR A 4 22.252 35.313 30.610 1.00 0.00 N ATOM 48 CA TYR A 4 23.466 35.736 29.906 1.00 0.00 C ATOM 49 C TYR A 4 24.374 34.547 29.527 1.00 0.00 C ATOM 50 O TYR A 4 24.762 33.753 30.396 1.00 0.00 O ATOM 51 CB TYR A 4 24.175 36.734 30.830 1.00 0.00 C ATOM 52 CG TYR A 4 25.353 37.472 30.234 1.00 0.00 C ATOM 53 CD1 TYR A 4 25.166 38.755 29.682 1.00 0.00 C ATOM 54 CD2 TYR A 4 26.645 36.920 30.309 1.00 0.00 C ATOM 55 CE1 TYR A 4 26.274 39.500 29.240 1.00 0.00 C ATOM 56 CE2 TYR A 4 27.753 37.661 29.859 1.00 0.00 C ATOM 57 CZ TYR A 4 27.573 38.960 29.342 1.00 0.00 C ATOM 58 OH TYR A 4 28.650 39.682 28.950 1.00 0.00 O ATOM 0 H TYR A 4 22.323 35.440 31.620 1.00 0.00 H new ATOM 0 HA TYR A 4 23.213 36.201 28.953 1.00 0.00 H new ATOM 0 HB2 TYR A 4 23.444 37.469 31.166 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.518 36.198 31.715 1.00 0.00 H new ATOM 0 HD1 TYR A 4 24.171 39.167 29.598 1.00 0.00 H new ATOM 0 HD2 TYR A 4 26.786 35.928 30.712 1.00 0.00 H new ATOM 0 HE1 TYR A 4 26.130 40.486 28.822 1.00 0.00 H new ATOM 0 HE2 TYR A 4 28.744 37.234 29.910 1.00 0.00 H new ATOM 0 HH TYR A 4 29.326 39.673 29.660 1.00 0.00 H new ATOM 68 N LEU A 5 24.749 34.419 28.248 1.00 0.00 N ATOM 69 CA LEU A 5 25.601 33.318 27.774 1.00 0.00 C ATOM 70 C LEU A 5 27.025 33.422 28.350 1.00 0.00 C ATOM 71 O LEU A 5 27.641 34.486 28.292 1.00 0.00 O ATOM 72 CB LEU A 5 25.608 33.287 26.231 1.00 0.00 C ATOM 73 CG LEU A 5 26.380 32.097 25.621 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.740 30.742 25.933 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.451 32.230 24.102 1.00 0.00 C ATOM 0 H LEU A 5 24.473 35.072 27.515 1.00 0.00 H new ATOM 0 HA LEU A 5 25.187 32.376 28.133 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.578 33.257 25.876 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.045 34.215 25.863 1.00 0.00 H new ATOM 0 HG LEU A 5 27.372 32.128 26.072 1.00 0.00 H new ATOM 0 HD11 LEU A 5 26.330 29.947 25.476 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.707 30.595 27.013 1.00 0.00 H new ATOM 0 HD13 LEU A 5 24.727 30.717 25.533 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.998 31.383 23.688 1.00 0.00 H new ATOM 0 HD22 LEU A 5 25.442 32.246 23.691 1.00 0.00 H new ATOM 0 HD23 LEU A 5 26.964 33.156 23.841 1.00 0.00 H new ATOM 87 N VAL A 6 27.575 32.315 28.853 1.00 0.00 N ATOM 88 CA VAL A 6 28.938 32.255 29.407 1.00 0.00 C ATOM 89 C VAL A 6 29.635 30.955 29.006 1.00 0.00 C ATOM 90 O VAL A 6 29.009 29.892 28.975 1.00 0.00 O ATOM 91 CB VAL A 6 28.916 32.499 30.933 1.00 0.00 C ATOM 92 CG1 VAL A 6 28.148 31.432 31.719 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.325 32.591 31.521 1.00 0.00 C ATOM 0 H VAL A 6 27.084 31.422 28.890 1.00 0.00 H new ATOM 0 HA VAL A 6 29.535 33.059 28.977 1.00 0.00 H new ATOM 0 HB VAL A 6 28.396 33.451 31.041 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.177 31.672 32.782 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.112 31.406 31.381 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.608 30.457 31.554 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.260 32.763 32.595 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.859 31.659 31.334 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.861 33.417 31.053 1.00 0.00 H new ATOM 103 N ASP A 7 30.924 31.041 28.677 1.00 0.00 N ATOM 104 CA ASP A 7 31.743 29.900 28.277 1.00 0.00 C ATOM 105 C ASP A 7 32.045 28.958 29.451 1.00 0.00 C ATOM 106 O ASP A 7 32.661 29.361 30.438 1.00 0.00 O ATOM 107 CB ASP A 7 33.053 30.400 27.651 1.00 0.00 C ATOM 108 CG ASP A 7 34.019 29.260 27.321 1.00 0.00 C ATOM 109 OD1 ASP A 7 35.246 29.469 27.441 1.00 0.00 O ATOM 110 OD2 ASP A 7 33.574 28.151 26.936 1.00 0.00 O1- ATOM 0 H ASP A 7 31.436 31.923 28.682 1.00 0.00 H new ATOM 0 HA ASP A 7 31.175 29.327 27.544 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.828 30.956 26.741 1.00 0.00 H new ATOM 0 HB3 ASP A 7 33.537 31.095 28.337 1.00 0.00 H new ATOM 115 N TYR A 8 31.706 27.677 29.295 1.00 0.00 N ATOM 116 CA TYR A 8 31.957 26.645 30.302 1.00 0.00 C ATOM 117 C TYR A 8 33.458 26.366 30.533 1.00 0.00 C ATOM 118 O TYR A 8 33.820 25.855 31.591 1.00 0.00 O ATOM 119 CB TYR A 8 31.232 25.354 29.881 1.00 0.00 C ATOM 120 CG TYR A 8 32.033 24.520 28.897 1.00 0.00 C ATOM 121 CD1 TYR A 8 32.164 24.939 27.560 1.00 0.00 C ATOM 122 CD2 TYR A 8 32.779 23.420 29.363 1.00 0.00 C ATOM 123 CE1 TYR A 8 33.086 24.302 26.711 1.00 0.00 C ATOM 124 CE2 TYR A 8 33.699 22.777 28.515 1.00 0.00 C ATOM 125 CZ TYR A 8 33.865 23.228 27.191 1.00 0.00 C ATOM 126 OH TYR A 8 34.804 22.665 26.388 1.00 0.00 O ATOM 0 H TYR A 8 31.245 27.323 28.457 1.00 0.00 H new ATOM 0 HA TYR A 8 31.571 27.013 31.253 1.00 0.00 H new ATOM 0 HB2 TYR A 8 31.020 24.757 30.768 1.00 0.00 H new ATOM 0 HB3 TYR A 8 30.272 25.612 29.434 1.00 0.00 H new ATOM 0 HD1 TYR A 8 31.556 25.750 27.186 1.00 0.00 H new ATOM 0 HD2 TYR A 8 32.644 23.069 30.375 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.198 24.635 25.690 1.00 0.00 H new ATOM 0 HE2 TYR A 8 34.276 21.940 28.878 1.00 0.00 H new ATOM 0 HH TYR A 8 35.253 21.939 26.869 1.00 0.00 H new ATOM 136 N HIS A 9 34.333 26.650 29.554 1.00 0.00 N ATOM 137 CA HIS A 9 35.772 26.347 29.626 1.00 0.00 C ATOM 138 C HIS A 9 36.547 27.433 30.378 1.00 0.00 C ATOM 139 O HIS A 9 37.178 27.154 31.400 1.00 0.00 O ATOM 140 CB HIS A 9 36.314 26.119 28.203 1.00 0.00 C ATOM 141 CG HIS A 9 37.715 25.557 28.138 1.00 0.00 C ATOM 142 ND1 HIS A 9 38.904 26.254 28.387 1.00 0.00 N ATOM 143 CD2 HIS A 9 38.028 24.293 27.731 1.00 0.00 C ATOM 144 CE1 HIS A 9 39.901 25.393 28.100 1.00 0.00 C ATOM 145 NE2 HIS A 9 39.401 24.209 27.713 1.00 0.00 N ATOM 0 H HIS A 9 34.058 27.101 28.681 1.00 0.00 H new ATOM 0 HA HIS A 9 35.914 25.432 30.201 1.00 0.00 H new ATOM 0 HB2 HIS A 9 35.641 25.441 27.678 1.00 0.00 H new ATOM 0 HB3 HIS A 9 36.293 27.067 27.666 1.00 0.00 H new ATOM 0 HD2 HIS A 9 37.332 23.509 27.473 1.00 0.00 H new ATOM 0 HE1 HIS A 9 40.954 25.623 28.171 1.00 0.00 H new ATOM 0 HE2 HIS A 9 39.946 23.388 27.451 1.00 0.00 H new ATOM 153 N THR A 10 36.482 28.679 29.900 1.00 0.00 N ATOM 154 CA THR A 10 37.217 29.832 30.460 1.00 0.00 C ATOM 155 C THR A 10 36.440 30.627 31.515 1.00 0.00 C ATOM 156 O THR A 10 37.058 31.333 32.313 1.00 0.00 O ATOM 157 CB THR A 10 37.671 30.791 29.348 1.00 0.00 C ATOM 158 OG1 THR A 10 36.570 31.333 28.647 1.00 0.00 O ATOM 159 CG2 THR A 10 38.583 30.112 28.329 1.00 0.00 C ATOM 0 H THR A 10 35.906 28.926 29.095 1.00 0.00 H new ATOM 0 HA THR A 10 38.078 29.392 30.963 1.00 0.00 H new ATOM 0 HB THR A 10 38.222 31.582 29.856 1.00 0.00 H new ATOM 0 HG1 THR A 10 36.308 30.722 27.927 1.00 0.00 H new ATOM 0 HG21 THR A 10 38.875 30.833 27.565 1.00 0.00 H new ATOM 0 HG22 THR A 10 39.474 29.735 28.832 1.00 0.00 H new ATOM 0 HG23 THR A 10 38.052 29.283 27.861 1.00 0.00 H new ATOM 167 N GLY A 11 35.107 30.517 31.554 1.00 0.00 N ATOM 168 CA GLY A 11 34.227 31.357 32.378 1.00 0.00 C ATOM 169 C GLY A 11 33.914 32.737 31.780 1.00 0.00 C ATOM 170 O GLY A 11 33.283 33.550 32.461 1.00 0.00 O ATOM 0 H GLY A 11 34.598 29.827 31.002 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.289 30.826 32.542 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.690 31.496 33.355 1.00 0.00 H new ATOM 174 N CYS A 12 34.364 33.020 30.552 1.00 0.00 N ATOM 175 CA CYS A 12 34.245 34.328 29.898 1.00 0.00 C ATOM 176 C CYS A 12 32.909 34.569 29.164 1.00 0.00 C ATOM 177 O CYS A 12 32.226 33.632 28.739 1.00 0.00 O ATOM 178 CB CYS A 12 35.408 34.494 28.912 1.00 0.00 C ATOM 179 SG CYS A 12 37.070 34.447 29.632 1.00 0.00 S ATOM 0 H CYS A 12 34.834 32.326 29.970 1.00 0.00 H new ATOM 0 HA CYS A 12 34.276 35.071 30.695 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.336 33.708 28.160 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.285 35.444 28.392 1.00 0.00 H new ATOM 184 N LYS A 13 32.580 35.848 28.950 1.00 0.00 N ATOM 185 CA LYS A 13 31.482 36.325 28.086 1.00 0.00 C ATOM 186 C LYS A 13 31.705 36.026 26.591 1.00 0.00 C ATOM 187 O LYS A 13 32.846 35.895 26.138 1.00 0.00 O ATOM 188 CB LYS A 13 31.279 37.841 28.333 1.00 0.00 C ATOM 189 CG LYS A 13 32.497 38.717 27.966 1.00 0.00 C ATOM 190 CD LYS A 13 32.475 40.099 28.631 1.00 0.00 C ATOM 191 CE LYS A 13 31.493 41.075 27.967 1.00 0.00 C ATOM 192 NZ LYS A 13 31.331 42.309 28.774 1.00 0.00 N1+ ATOM 0 H LYS A 13 33.089 36.614 29.390 1.00 0.00 H new ATOM 0 HA LYS A 13 30.580 35.775 28.355 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.418 38.178 27.757 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.039 37.996 29.385 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.410 38.197 28.256 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.532 38.843 26.884 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.209 39.985 29.682 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.478 40.526 28.600 1.00 0.00 H new ATOM 0 HE2 LYS A 13 31.852 41.334 26.971 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.525 40.591 27.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 30.662 42.949 28.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.966 42.062 29.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 32.252 42.783 28.873 1.00 0.00 H new ATOM 206 N TYR A 14 30.629 35.965 25.809 1.00 0.00 N ATOM 207 CA TYR A 14 30.662 35.876 24.342 1.00 0.00 C ATOM 208 C TYR A 14 30.569 37.264 23.695 1.00 0.00 C ATOM 209 O TYR A 14 29.905 38.151 24.230 1.00 0.00 O ATOM 210 CB TYR A 14 29.520 34.974 23.845 1.00 0.00 C ATOM 211 CG TYR A 14 29.903 33.508 23.771 1.00 0.00 C ATOM 212 CD1 TYR A 14 30.240 32.948 22.525 1.00 0.00 C ATOM 213 CD2 TYR A 14 29.958 32.717 24.938 1.00 0.00 C ATOM 214 CE1 TYR A 14 30.633 31.602 22.440 1.00 0.00 C ATOM 215 CE2 TYR A 14 30.348 31.365 24.855 1.00 0.00 C ATOM 216 CZ TYR A 14 30.694 30.810 23.603 1.00 0.00 C ATOM 217 OH TYR A 14 31.124 29.526 23.502 1.00 0.00 O ATOM 0 H TYR A 14 29.681 35.976 26.185 1.00 0.00 H new ATOM 0 HA TYR A 14 31.616 35.438 24.050 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.663 35.085 24.509 1.00 0.00 H new ATOM 0 HB3 TYR A 14 29.204 35.310 22.857 1.00 0.00 H new ATOM 0 HD1 TYR A 14 30.196 33.554 21.632 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.701 33.147 25.895 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.889 31.174 21.482 1.00 0.00 H new ATOM 0 HE2 TYR A 14 30.382 30.755 25.746 1.00 0.00 H new ATOM 0 HH TYR A 14 31.113 29.107 24.388 1.00 0.00 H new ATOM 227 N THR A 15 31.209 37.463 22.539 1.00 0.00 N ATOM 228 CA THR A 15 31.037 38.666 21.697 1.00 0.00 C ATOM 229 C THR A 15 29.707 38.665 20.938 1.00 0.00 C ATOM 230 O THR A 15 29.016 37.649 20.839 1.00 0.00 O ATOM 231 CB THR A 15 32.221 38.881 20.737 1.00 0.00 C ATOM 232 OG1 THR A 15 32.214 40.184 20.188 1.00 0.00 O ATOM 233 CG2 THR A 15 32.258 37.913 19.557 1.00 0.00 C ATOM 0 H THR A 15 31.870 36.790 22.151 1.00 0.00 H new ATOM 0 HA THR A 15 31.016 39.511 22.385 1.00 0.00 H new ATOM 0 HB THR A 15 33.096 38.709 21.364 1.00 0.00 H new ATOM 0 HG1 THR A 15 32.979 40.289 19.585 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.123 38.134 18.932 1.00 0.00 H new ATOM 0 HG22 THR A 15 32.330 36.890 19.927 1.00 0.00 H new ATOM 0 HG23 THR A 15 31.347 38.022 18.968 1.00 0.00 H new ATOM 241 N CYS A 16 29.370 39.819 20.370 1.00 0.00 N ATOM 242 CA CYS A 16 28.135 40.063 19.620 1.00 0.00 C ATOM 243 C CYS A 16 28.215 41.310 18.719 1.00 0.00 C ATOM 244 O CYS A 16 29.053 42.198 18.908 1.00 0.00 O ATOM 245 CB CYS A 16 26.970 40.203 20.615 1.00 0.00 C ATOM 246 SG CYS A 16 25.703 38.914 20.519 1.00 0.00 S ATOM 0 H CYS A 16 29.970 40.643 20.419 1.00 0.00 H new ATOM 0 HA CYS A 16 27.976 39.213 18.956 1.00 0.00 H new ATOM 0 HB2 CYS A 16 27.378 40.212 21.626 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.493 41.170 20.455 1.00 0.00 H new ATOM 251 N ALA A 17 27.295 41.383 17.756 1.00 0.00 N ATOM 252 CA ALA A 17 27.031 42.566 16.938 1.00 0.00 C ATOM 253 C ALA A 17 26.317 43.679 17.743 1.00 0.00 C ATOM 254 O ALA A 17 25.978 43.513 18.922 1.00 0.00 O ATOM 255 CB ALA A 17 26.186 42.103 15.740 1.00 0.00 C ATOM 0 H ALA A 17 26.694 40.594 17.517 1.00 0.00 H new ATOM 0 HA ALA A 17 27.968 43.008 16.599 1.00 0.00 H new ATOM 0 HB1 ALA A 17 25.964 42.957 15.100 1.00 0.00 H new ATOM 0 HB2 ALA A 17 26.740 41.357 15.171 1.00 0.00 H new ATOM 0 HB3 ALA A 17 25.254 41.667 16.099 1.00 0.00 H new ATOM 261 N LYS A 18 26.057 44.823 17.097 1.00 0.00 N ATOM 262 CA LYS A 18 25.195 45.895 17.623 1.00 0.00 C ATOM 263 C LYS A 18 23.801 45.350 17.978 1.00 0.00 C ATOM 264 O LYS A 18 23.296 44.437 17.319 1.00 0.00 O ATOM 265 CB LYS A 18 25.142 47.047 16.607 1.00 0.00 C ATOM 266 CG LYS A 18 24.594 48.341 17.219 1.00 0.00 C ATOM 267 CD LYS A 18 24.666 49.517 16.239 1.00 0.00 C ATOM 268 CE LYS A 18 24.089 50.767 16.910 1.00 0.00 C ATOM 269 NZ LYS A 18 24.006 51.901 15.965 1.00 0.00 N1+ ATOM 0 H LYS A 18 26.445 45.035 16.178 1.00 0.00 H new ATOM 0 HA LYS A 18 25.613 46.287 18.550 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.143 47.229 16.215 1.00 0.00 H new ATOM 0 HB3 LYS A 18 24.518 46.755 15.763 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.559 48.187 17.525 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.159 48.584 18.119 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.699 49.694 15.940 1.00 0.00 H new ATOM 0 HD3 LYS A 18 24.107 49.285 15.332 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.096 50.545 17.302 1.00 0.00 H new ATOM 0 HE3 LYS A 18 24.712 51.045 17.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.611 52.731 16.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 24.957 52.128 15.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.391 51.643 15.167 1.00 0.00 H new ATOM 283 N LEU A 19 23.194 45.919 19.019 1.00 0.00 N ATOM 284 CA LEU A 19 22.003 45.383 19.682 1.00 0.00 C ATOM 285 C LEU A 19 20.820 45.026 18.761 1.00 0.00 C ATOM 286 O LEU A 19 20.528 45.707 17.769 1.00 0.00 O ATOM 287 CB LEU A 19 21.569 46.275 20.863 1.00 0.00 C ATOM 288 CG LEU A 19 20.975 47.654 20.500 1.00 0.00 C ATOM 289 CD1 LEU A 19 20.015 48.115 21.591 1.00 0.00 C ATOM 290 CD2 LEU A 19 22.048 48.735 20.379 1.00 0.00 C ATOM 0 H LEU A 19 23.525 46.789 19.437 1.00 0.00 H new ATOM 0 HA LEU A 19 22.323 44.415 20.068 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.831 45.729 21.450 1.00 0.00 H new ATOM 0 HB3 LEU A 19 22.434 46.434 21.507 1.00 0.00 H new ATOM 0 HG LEU A 19 20.472 47.525 19.542 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.602 49.088 21.325 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.205 47.393 21.692 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.550 48.194 22.537 1.00 0.00 H new ATOM 0 HD21 LEU A 19 21.580 49.685 20.123 1.00 0.00 H new ATOM 0 HD22 LEU A 19 22.573 48.834 21.329 1.00 0.00 H new ATOM 0 HD23 LEU A 19 22.757 48.458 19.599 1.00 0.00 H new ATOM 302 N GLY A 20 20.138 43.944 19.142 1.00 0.00 N ATOM 303 CA GLY A 20 18.948 43.400 18.485 1.00 0.00 C ATOM 304 C GLY A 20 19.208 42.331 17.414 1.00 0.00 C ATOM 305 O GLY A 20 18.249 41.711 16.952 1.00 0.00 O ATOM 0 H GLY A 20 20.414 43.397 19.957 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.298 42.973 19.248 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.401 44.223 18.025 1.00 0.00 H new ATOM 309 N ASP A 21 20.470 42.068 17.049 1.00 0.00 N ATOM 310 CA ASP A 21 20.839 40.960 16.152 1.00 0.00 C ATOM 311 C ASP A 21 20.471 39.592 16.764 1.00 0.00 C ATOM 312 O ASP A 21 20.696 39.359 17.954 1.00 0.00 O ATOM 313 CB ASP A 21 22.338 41.035 15.814 1.00 0.00 C ATOM 314 CG ASP A 21 22.768 40.032 14.736 1.00 0.00 C ATOM 315 OD1 ASP A 21 23.837 39.391 14.897 1.00 0.00 O ATOM 316 OD2 ASP A 21 22.071 39.907 13.697 1.00 0.00 O1- ATOM 0 H ASP A 21 21.268 42.618 17.368 1.00 0.00 H new ATOM 0 HA ASP A 21 20.269 41.060 15.228 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.578 42.044 15.478 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.917 40.855 16.720 1.00 0.00 H new ATOM 321 N ASN A 22 19.890 38.699 15.958 1.00 0.00 N ATOM 322 CA ASN A 22 19.304 37.425 16.382 1.00 0.00 C ATOM 323 C ASN A 22 19.511 36.338 15.304 1.00 0.00 C ATOM 324 O ASN A 22 18.569 35.846 14.674 1.00 0.00 O ATOM 325 CB ASN A 22 17.836 37.647 16.818 1.00 0.00 C ATOM 326 CG ASN A 22 16.918 38.253 15.761 1.00 0.00 C ATOM 327 OD1 ASN A 22 16.033 37.597 15.226 1.00 0.00 O ATOM 328 ND2 ASN A 22 17.024 39.528 15.472 1.00 0.00 N ATOM 0 H ASN A 22 19.812 38.850 14.952 1.00 0.00 H new ATOM 0 HA ASN A 22 19.821 37.039 17.261 1.00 0.00 H new ATOM 0 HB2 ASN A 22 17.419 36.689 17.129 1.00 0.00 H new ATOM 0 HB3 ASN A 22 17.830 38.296 17.694 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.376 39.957 14.812 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.755 40.091 15.908 1.00 0.00 H new ATOM 335 N ASP A 23 20.781 35.980 15.091 1.00 0.00 N ATOM 336 CA ASP A 23 21.265 35.071 14.042 1.00 0.00 C ATOM 337 C ASP A 23 22.285 34.046 14.580 1.00 0.00 C ATOM 338 O ASP A 23 22.016 32.841 14.601 1.00 0.00 O ATOM 339 CB ASP A 23 21.865 35.931 12.911 1.00 0.00 C ATOM 340 CG ASP A 23 22.604 35.128 11.837 1.00 0.00 C ATOM 341 OD1 ASP A 23 22.184 34.002 11.501 1.00 0.00 O ATOM 342 OD2 ASP A 23 23.639 35.613 11.323 1.00 0.00 O1- ATOM 0 H ASP A 23 21.540 36.333 15.674 1.00 0.00 H new ATOM 0 HA ASP A 23 20.432 34.480 13.662 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.064 36.499 12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.554 36.655 13.346 1.00 0.00 H new ATOM 347 N TYR A 24 23.451 34.506 15.046 1.00 0.00 N ATOM 348 CA TYR A 24 24.543 33.637 15.512 1.00 0.00 C ATOM 349 C TYR A 24 24.463 33.349 17.019 1.00 0.00 C ATOM 350 O TYR A 24 24.576 32.195 17.431 1.00 0.00 O ATOM 351 CB TYR A 24 25.903 34.207 15.086 1.00 0.00 C ATOM 352 CG TYR A 24 27.031 33.220 15.315 1.00 0.00 C ATOM 353 CD1 TYR A 24 27.807 33.283 16.488 1.00 0.00 C ATOM 354 CD2 TYR A 24 27.256 32.191 14.378 1.00 0.00 C ATOM 355 CE1 TYR A 24 28.773 32.292 16.747 1.00 0.00 C ATOM 356 CE2 TYR A 24 28.219 31.195 14.640 1.00 0.00 C ATOM 357 CZ TYR A 24 28.961 31.228 15.839 1.00 0.00 C ATOM 358 OH TYR A 24 29.830 30.227 16.134 1.00 0.00 O ATOM 0 H TYR A 24 23.668 35.501 15.112 1.00 0.00 H new ATOM 0 HA TYR A 24 24.428 32.667 15.028 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.868 34.478 14.031 1.00 0.00 H new ATOM 0 HB3 TYR A 24 26.103 35.122 15.644 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.661 34.091 17.189 1.00 0.00 H new ATOM 0 HD2 TYR A 24 26.690 32.166 13.458 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.372 32.346 17.644 1.00 0.00 H new ATOM 0 HE2 TYR A 24 28.389 30.406 13.922 1.00 0.00 H new ATOM 0 HH TYR A 24 29.922 30.149 17.107 1.00 0.00 H new ATOM 368 N CYS A 25 24.141 34.353 17.839 1.00 0.00 N ATOM 369 CA CYS A 25 23.818 34.182 19.260 1.00 0.00 C ATOM 370 C CYS A 25 22.665 33.174 19.467 1.00 0.00 C ATOM 371 O CYS A 25 22.733 32.341 20.368 1.00 0.00 O ATOM 372 CB CYS A 25 23.516 35.571 19.851 1.00 0.00 C ATOM 373 SG CYS A 25 22.793 35.614 21.515 1.00 0.00 S ATOM 0 H CYS A 25 24.096 35.324 17.530 1.00 0.00 H new ATOM 0 HA CYS A 25 24.667 33.751 19.790 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.445 36.141 19.870 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.838 36.088 19.173 1.00 0.00 H new ATOM 378 N VAL A 26 21.673 33.146 18.565 1.00 0.00 N ATOM 379 CA VAL A 26 20.606 32.122 18.542 1.00 0.00 C ATOM 380 C VAL A 26 21.182 30.701 18.450 1.00 0.00 C ATOM 381 O VAL A 26 20.765 29.822 19.208 1.00 0.00 O ATOM 382 CB VAL A 26 19.627 32.384 17.376 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.598 31.260 17.186 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.858 33.690 17.596 1.00 0.00 C ATOM 0 H VAL A 26 21.584 33.838 17.821 1.00 0.00 H new ATOM 0 HA VAL A 26 20.061 32.196 19.483 1.00 0.00 H new ATOM 0 HB VAL A 26 20.248 32.440 16.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.941 31.506 16.352 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.116 30.324 16.977 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.006 31.151 18.095 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.175 33.855 16.763 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.290 33.626 18.524 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.561 34.520 17.658 1.00 0.00 H new ATOM 394 N ARG A 27 22.169 30.474 17.568 1.00 0.00 N ATOM 395 CA ARG A 27 22.871 29.193 17.441 1.00 0.00 C ATOM 396 C ARG A 27 23.681 28.880 18.695 1.00 0.00 C ATOM 397 O ARG A 27 23.473 27.832 19.289 1.00 0.00 O ATOM 398 CB ARG A 27 23.764 29.178 16.194 1.00 0.00 C ATOM 399 CG ARG A 27 22.960 29.220 14.890 1.00 0.00 C ATOM 400 CD ARG A 27 23.915 29.147 13.692 1.00 0.00 C ATOM 401 NE ARG A 27 23.192 29.196 12.409 1.00 0.00 N ATOM 402 CZ ARG A 27 22.771 30.273 11.773 1.00 0.00 C ATOM 403 NH1 ARG A 27 22.894 31.466 12.276 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 22.187 30.165 10.624 1.00 0.00 N ATOM 0 H ARG A 27 22.503 31.185 16.917 1.00 0.00 H new ATOM 0 HA ARG A 27 22.119 28.412 17.327 1.00 0.00 H new ATOM 0 HB2 ARG A 27 24.441 30.032 16.226 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.383 28.281 16.206 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.257 28.388 14.858 1.00 0.00 H new ATOM 0 HG3 ARG A 27 22.372 30.137 14.843 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.623 29.974 13.741 1.00 0.00 H new ATOM 0 HD3 ARG A 27 24.496 28.226 13.746 1.00 0.00 H new ATOM 0 HE ARG A 27 22.995 28.300 11.964 1.00 0.00 H new ATOM 0 HH11 ARG A 27 23.328 31.592 13.191 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.557 32.276 11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 27 22.050 29.245 10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.863 31.000 10.136 1.00 0.00 H new ATOM 418 N GLU A 28 24.549 29.780 19.149 1.00 0.00 N ATOM 419 CA GLU A 28 25.389 29.534 20.334 1.00 0.00 C ATOM 420 C GLU A 28 24.566 29.263 21.604 1.00 0.00 C ATOM 421 O GLU A 28 24.948 28.391 22.386 1.00 0.00 O ATOM 422 CB GLU A 28 26.338 30.713 20.571 1.00 0.00 C ATOM 423 CG GLU A 28 27.464 30.826 19.527 1.00 0.00 C ATOM 424 CD GLU A 28 28.550 29.737 19.635 1.00 0.00 C ATOM 425 OE1 GLU A 28 29.483 29.732 18.785 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.526 28.885 20.555 1.00 0.00 O1- ATOM 0 H GLU A 28 24.695 30.692 18.717 1.00 0.00 H new ATOM 0 HA GLU A 28 25.965 28.633 20.125 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.761 31.638 20.570 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.782 30.616 21.562 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.024 30.784 18.531 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.937 31.803 19.626 1.00 0.00 H new ATOM 433 N CYS A 29 23.417 29.925 21.784 1.00 0.00 N ATOM 434 CA CYS A 29 22.457 29.598 22.838 1.00 0.00 C ATOM 435 C CYS A 29 21.877 28.191 22.648 1.00 0.00 C ATOM 436 O CYS A 29 21.997 27.356 23.544 1.00 0.00 O ATOM 437 CB CYS A 29 21.335 30.645 22.881 1.00 0.00 C ATOM 438 SG CYS A 29 21.838 32.254 23.531 1.00 0.00 S ATOM 0 H CYS A 29 23.128 30.707 21.197 1.00 0.00 H new ATOM 0 HA CYS A 29 22.985 29.612 23.791 1.00 0.00 H new ATOM 0 HB2 CYS A 29 20.943 30.781 21.873 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.518 30.260 23.492 1.00 0.00 H new ATOM 443 N ARG A 30 21.290 27.883 21.483 1.00 0.00 N ATOM 444 CA ARG A 30 20.649 26.578 21.227 1.00 0.00 C ATOM 445 C ARG A 30 21.632 25.406 21.059 1.00 0.00 C ATOM 446 O ARG A 30 21.200 24.260 20.966 1.00 0.00 O ATOM 447 CB ARG A 30 19.617 26.731 20.098 1.00 0.00 C ATOM 448 CG ARG A 30 20.140 26.403 18.693 1.00 0.00 C ATOM 449 CD ARG A 30 19.235 26.983 17.598 1.00 0.00 C ATOM 450 NE ARG A 30 17.824 26.567 17.742 1.00 0.00 N ATOM 451 CZ ARG A 30 16.779 27.033 17.088 1.00 0.00 C ATOM 452 NH1 ARG A 30 16.876 27.879 16.106 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 15.583 26.633 17.385 1.00 0.00 N ATOM 0 H ARG A 30 21.244 28.526 20.692 1.00 0.00 H new ATOM 0 HA ARG A 30 20.110 26.280 22.126 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.767 26.084 20.313 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.246 27.756 20.101 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.149 26.800 18.579 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.208 25.322 18.574 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.293 28.071 17.624 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.605 26.667 16.622 1.00 0.00 H new ATOM 0 HE ARG A 30 17.637 25.834 18.427 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.793 28.213 15.809 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.035 28.209 15.632 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.444 25.951 18.131 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.781 27.000 16.873 1.00 0.00 H new ATOM 467 N LEU A 31 22.939 25.683 21.033 1.00 0.00 N ATOM 468 CA LEU A 31 24.030 24.701 21.113 1.00 0.00 C ATOM 469 C LEU A 31 24.581 24.529 22.547 1.00 0.00 C ATOM 470 O LEU A 31 25.094 23.455 22.872 1.00 0.00 O ATOM 471 CB LEU A 31 25.148 25.112 20.134 1.00 0.00 C ATOM 472 CG LEU A 31 24.763 25.026 18.640 1.00 0.00 C ATOM 473 CD1 LEU A 31 25.818 25.739 17.791 1.00 0.00 C ATOM 474 CD2 LEU A 31 24.664 23.582 18.149 1.00 0.00 C ATOM 0 H LEU A 31 23.283 26.640 20.952 1.00 0.00 H new ATOM 0 HA LEU A 31 23.629 23.728 20.831 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.451 26.135 20.359 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.016 24.477 20.308 1.00 0.00 H new ATOM 0 HG LEU A 31 23.786 25.499 18.538 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.542 25.675 16.738 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.877 26.786 18.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.788 25.264 17.941 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.391 23.574 17.094 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.626 23.087 18.278 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.904 23.053 18.724 1.00 0.00 H new ATOM 486 N ARG A 32 24.479 25.547 23.420 1.00 0.00 N ATOM 487 CA ARG A 32 24.827 25.452 24.858 1.00 0.00 C ATOM 488 C ARG A 32 23.707 24.816 25.684 1.00 0.00 C ATOM 489 O ARG A 32 23.962 24.000 26.572 1.00 0.00 O ATOM 490 CB ARG A 32 25.152 26.861 25.397 1.00 0.00 C ATOM 491 CG ARG A 32 25.913 26.878 26.738 1.00 0.00 C ATOM 492 CD ARG A 32 27.253 26.125 26.702 1.00 0.00 C ATOM 493 NE ARG A 32 28.044 26.479 25.510 1.00 0.00 N ATOM 494 CZ ARG A 32 28.973 25.754 24.920 1.00 0.00 C ATOM 495 NH1 ARG A 32 29.466 24.659 25.415 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 29.419 26.136 23.767 1.00 0.00 N ATOM 0 H ARG A 32 24.149 26.473 23.148 1.00 0.00 H new ATOM 0 HA ARG A 32 25.699 24.805 24.951 1.00 0.00 H new ATOM 0 HB2 ARG A 32 25.744 27.393 24.652 1.00 0.00 H new ATOM 0 HB3 ARG A 32 24.220 27.413 25.517 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.096 27.913 27.028 1.00 0.00 H new ATOM 0 HG3 ARG A 32 25.281 26.438 27.509 1.00 0.00 H new ATOM 0 HD2 ARG A 32 27.825 26.356 27.601 1.00 0.00 H new ATOM 0 HD3 ARG A 32 27.067 25.051 26.710 1.00 0.00 H new ATOM 0 HE ARG A 32 27.850 27.390 25.094 1.00 0.00 H new ATOM 0 HH11 ARG A 32 29.135 24.312 26.315 1.00 0.00 H new ATOM 0 HH12 ARG A 32 30.185 24.146 24.904 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.052 26.983 23.333 1.00 0.00 H new ATOM 0 HH22 ARG A 32 30.138 25.590 23.292 1.00 0.00 H new ATOM 510 N TYR A 33 22.473 25.193 25.372 1.00 0.00 N ATOM 511 CA TYR A 33 21.228 24.625 25.884 1.00 0.00 C ATOM 512 C TYR A 33 20.663 23.606 24.878 1.00 0.00 C ATOM 513 O TYR A 33 21.312 23.241 23.896 1.00 0.00 O ATOM 514 CB TYR A 33 20.255 25.793 26.164 1.00 0.00 C ATOM 515 CG TYR A 33 20.765 26.750 27.225 1.00 0.00 C ATOM 516 CD1 TYR A 33 21.589 27.838 26.878 1.00 0.00 C ATOM 517 CD2 TYR A 33 20.461 26.501 28.576 1.00 0.00 C ATOM 518 CE1 TYR A 33 22.195 28.616 27.878 1.00 0.00 C ATOM 519 CE2 TYR A 33 21.084 27.264 29.584 1.00 0.00 C ATOM 520 CZ TYR A 33 21.976 28.305 29.234 1.00 0.00 C ATOM 521 OH TYR A 33 22.652 28.995 30.190 1.00 0.00 O ATOM 0 H TYR A 33 22.302 25.952 24.712 1.00 0.00 H new ATOM 0 HA TYR A 33 21.391 24.080 26.814 1.00 0.00 H new ATOM 0 HB2 TYR A 33 20.082 26.344 25.239 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.293 25.389 26.479 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.756 28.075 25.838 1.00 0.00 H new ATOM 0 HD2 TYR A 33 19.753 25.729 28.839 1.00 0.00 H new ATOM 0 HE1 TYR A 33 22.827 29.450 27.608 1.00 0.00 H new ATOM 0 HE2 TYR A 33 20.881 27.054 30.624 1.00 0.00 H new ATOM 0 HH TYR A 33 22.840 29.901 29.868 1.00 0.00 H new ATOM 531 N TYR A 34 19.443 23.132 25.125 1.00 0.00 N ATOM 532 CA TYR A 34 18.648 22.394 24.142 1.00 0.00 C ATOM 533 C TYR A 34 18.385 23.211 22.863 1.00 0.00 C ATOM 534 O TYR A 34 18.326 24.444 22.884 1.00 0.00 O ATOM 535 CB TYR A 34 17.325 21.924 24.774 1.00 0.00 C ATOM 536 CG TYR A 34 16.366 22.939 25.396 1.00 0.00 C ATOM 537 CD1 TYR A 34 15.124 22.464 25.857 1.00 0.00 C ATOM 538 CD2 TYR A 34 16.677 24.306 25.586 1.00 0.00 C ATOM 539 CE1 TYR A 34 14.211 23.331 26.487 1.00 0.00 C ATOM 540 CE2 TYR A 34 15.799 25.166 26.267 1.00 0.00 C ATOM 541 CZ TYR A 34 14.541 24.686 26.692 1.00 0.00 C ATOM 542 OH TYR A 34 13.659 25.505 27.322 1.00 0.00 O ATOM 0 H TYR A 34 18.973 23.250 26.022 1.00 0.00 H new ATOM 0 HA TYR A 34 19.230 21.523 23.841 1.00 0.00 H new ATOM 0 HB2 TYR A 34 16.772 21.387 24.004 1.00 0.00 H new ATOM 0 HB3 TYR A 34 17.576 21.200 25.549 1.00 0.00 H new ATOM 0 HD1 TYR A 34 14.868 21.423 25.726 1.00 0.00 H new ATOM 0 HD2 TYR A 34 17.607 24.696 25.200 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.253 22.956 26.815 1.00 0.00 H new ATOM 0 HE2 TYR A 34 16.085 26.189 26.464 1.00 0.00 H new ATOM 0 HH TYR A 34 13.523 26.314 26.785 1.00 0.00 H new ATOM 552 N GLN A 35 18.165 22.521 21.744 1.00 0.00 N ATOM 553 CA GLN A 35 17.912 23.136 20.440 1.00 0.00 C ATOM 554 C GLN A 35 16.609 23.957 20.381 1.00 0.00 C ATOM 555 O GLN A 35 16.470 24.820 19.516 1.00 0.00 O ATOM 556 CB GLN A 35 18.004 22.068 19.336 1.00 0.00 C ATOM 557 CG GLN A 35 16.903 20.987 19.286 1.00 0.00 C ATOM 558 CD GLN A 35 17.162 19.760 20.167 1.00 0.00 C ATOM 559 OE1 GLN A 35 17.437 19.856 21.357 1.00 0.00 O ATOM 560 NE2 GLN A 35 17.089 18.562 19.628 1.00 0.00 N ATOM 0 H GLN A 35 18.157 21.501 21.717 1.00 0.00 H new ATOM 0 HA GLN A 35 18.693 23.877 20.268 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.014 22.581 18.374 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.965 21.563 19.438 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.957 21.438 19.586 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.785 20.657 18.254 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.861 18.461 18.639 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.260 17.734 20.199 1.00 0.00 H new ATOM 569 N SER A 36 15.695 23.757 21.337 1.00 0.00 N ATOM 570 CA SER A 36 14.458 24.530 21.527 1.00 0.00 C ATOM 571 C SER A 36 14.658 26.005 21.905 1.00 0.00 C ATOM 572 O SER A 36 13.699 26.779 21.831 1.00 0.00 O ATOM 573 CB SER A 36 13.644 23.886 22.654 1.00 0.00 C ATOM 574 OG SER A 36 13.366 22.534 22.352 1.00 0.00 O ATOM 0 H SER A 36 15.800 23.018 22.032 1.00 0.00 H new ATOM 0 HA SER A 36 13.958 24.513 20.558 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.196 23.949 23.592 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.712 24.433 22.796 1.00 0.00 H new ATOM 0 HG SER A 36 12.847 22.136 23.082 1.00 0.00 H new ATOM 580 N ALA A 37 15.857 26.381 22.371 1.00 0.00 N ATOM 581 CA ALA A 37 16.169 27.734 22.851 1.00 0.00 C ATOM 582 C ALA A 37 16.207 28.809 21.735 1.00 0.00 C ATOM 583 O ALA A 37 16.073 28.517 20.542 1.00 0.00 O ATOM 584 CB ALA A 37 17.499 27.680 23.620 1.00 0.00 C ATOM 0 H ALA A 37 16.651 25.743 22.426 1.00 0.00 H new ATOM 0 HA ALA A 37 15.357 28.049 23.506 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.749 28.676 23.985 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.404 26.997 24.464 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.289 27.328 22.956 1.00 0.00 H new ATOM 590 N HIS A 38 16.403 30.075 22.127 1.00 0.00 N ATOM 591 CA HIS A 38 16.620 31.222 21.226 1.00 0.00 C ATOM 592 C HIS A 38 17.493 32.302 21.910 1.00 0.00 C ATOM 593 O HIS A 38 18.079 32.023 22.960 1.00 0.00 O ATOM 594 CB HIS A 38 15.240 31.721 20.760 1.00 0.00 C ATOM 595 CG HIS A 38 15.252 32.490 19.470 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.266 33.878 19.375 1.00 0.00 N ATOM 597 CD2 HIS A 38 15.277 31.959 18.213 1.00 0.00 C ATOM 598 CE1 HIS A 38 15.309 34.160 18.065 1.00 0.00 C ATOM 599 NE2 HIS A 38 15.313 33.028 17.344 1.00 0.00 N ATOM 0 H HIS A 38 16.416 30.341 23.112 1.00 0.00 H new ATOM 0 HA HIS A 38 17.186 30.934 20.340 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.577 30.863 20.649 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.815 32.353 21.540 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.270 30.911 17.952 1.00 0.00 H new ATOM 0 HE1 HIS A 38 15.337 35.156 17.649 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.338 32.969 16.326 1.00 0.00 H new ATOM 607 N GLY A 39 17.647 33.501 21.335 1.00 0.00 N ATOM 608 CA GLY A 39 18.470 34.568 21.927 1.00 0.00 C ATOM 609 C GLY A 39 18.679 35.810 21.052 1.00 0.00 C ATOM 610 O GLY A 39 18.196 35.870 19.920 1.00 0.00 O ATOM 0 H GLY A 39 17.208 33.760 20.451 1.00 0.00 H new ATOM 0 HA2 GLY A 39 18.009 34.880 22.864 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.447 34.153 22.175 1.00 0.00 H new ATOM 614 N TYR A 40 19.410 36.803 21.570 1.00 0.00 N ATOM 615 CA TYR A 40 19.776 38.044 20.868 1.00 0.00 C ATOM 616 C TYR A 40 21.015 38.742 21.460 1.00 0.00 C ATOM 617 O TYR A 40 21.437 38.476 22.585 1.00 0.00 O ATOM 618 CB TYR A 40 18.584 39.020 20.832 1.00 0.00 C ATOM 619 CG TYR A 40 18.103 39.514 22.187 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.618 40.710 22.720 1.00 0.00 C ATOM 621 CD2 TYR A 40 17.142 38.783 22.914 1.00 0.00 C ATOM 622 CE1 TYR A 40 18.199 41.163 23.983 1.00 0.00 C ATOM 623 CE2 TYR A 40 16.706 39.241 24.175 1.00 0.00 C ATOM 624 CZ TYR A 40 17.247 40.427 24.718 1.00 0.00 C ATOM 625 OH TYR A 40 16.857 40.871 25.943 1.00 0.00 O ATOM 0 H TYR A 40 19.777 36.766 22.521 1.00 0.00 H new ATOM 0 HA TYR A 40 20.040 37.749 19.852 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.862 39.883 20.227 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.751 38.531 20.326 1.00 0.00 H new ATOM 0 HD1 TYR A 40 19.339 41.283 22.156 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.738 37.869 22.504 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.607 42.076 24.391 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.960 38.686 24.724 1.00 0.00 H new ATOM 0 HH TYR A 40 16.196 40.253 26.319 1.00 0.00 H new ATOM 635 N CYS A 41 21.582 39.677 20.699 1.00 0.00 N ATOM 636 CA CYS A 41 22.721 40.511 21.099 1.00 0.00 C ATOM 637 C CYS A 41 22.300 41.790 21.840 1.00 0.00 C ATOM 638 O CYS A 41 21.416 42.519 21.377 1.00 0.00 O ATOM 639 CB CYS A 41 23.537 40.907 19.859 1.00 0.00 C ATOM 640 SG CYS A 41 24.447 39.564 19.055 1.00 0.00 S ATOM 0 H CYS A 41 21.253 39.884 19.756 1.00 0.00 H new ATOM 0 HA CYS A 41 23.318 39.911 21.786 1.00 0.00 H new ATOM 0 HB2 CYS A 41 22.861 41.351 19.129 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.248 41.681 20.147 1.00 0.00 H new ATOM 645 N TYR A 42 23.002 42.124 22.929 1.00 0.00 N ATOM 646 CA TYR A 42 22.885 43.409 23.641 1.00 0.00 C ATOM 647 C TYR A 42 24.185 43.727 24.408 1.00 0.00 C ATOM 648 O TYR A 42 24.810 42.823 24.967 1.00 0.00 O ATOM 649 CB TYR A 42 21.682 43.378 24.601 1.00 0.00 C ATOM 650 CG TYR A 42 21.202 44.747 25.046 1.00 0.00 C ATOM 651 CD1 TYR A 42 21.785 45.387 26.158 1.00 0.00 C ATOM 652 CD2 TYR A 42 20.160 45.377 24.338 1.00 0.00 C ATOM 653 CE1 TYR A 42 21.342 46.667 26.543 1.00 0.00 C ATOM 654 CE2 TYR A 42 19.709 46.649 24.731 1.00 0.00 C ATOM 655 CZ TYR A 42 20.313 47.309 25.821 1.00 0.00 C ATOM 656 OH TYR A 42 19.893 48.553 26.181 1.00 0.00 O ATOM 0 H TYR A 42 23.685 41.495 23.353 1.00 0.00 H new ATOM 0 HA TYR A 42 22.723 44.198 22.907 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.857 42.857 24.114 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.951 42.796 25.483 1.00 0.00 H new ATOM 0 HD1 TYR A 42 22.570 44.897 26.714 1.00 0.00 H new ATOM 0 HD2 TYR A 42 19.707 44.882 23.492 1.00 0.00 H new ATOM 0 HE1 TYR A 42 21.791 47.159 27.393 1.00 0.00 H new ATOM 0 HE2 TYR A 42 18.898 47.122 24.197 1.00 0.00 H new ATOM 0 HH TYR A 42 19.179 48.845 25.576 1.00 0.00 H new ATOM 666 N ALA A 43 24.626 44.993 24.438 1.00 0.00 N ATOM 667 CA ALA A 43 25.890 45.424 25.073 1.00 0.00 C ATOM 668 C ALA A 43 27.141 44.654 24.575 1.00 0.00 C ATOM 669 O ALA A 43 28.073 44.387 25.337 1.00 0.00 O ATOM 670 CB ALA A 43 25.726 45.441 26.605 1.00 0.00 C ATOM 0 H ALA A 43 24.108 45.764 24.015 1.00 0.00 H new ATOM 0 HA ALA A 43 26.093 46.446 24.752 1.00 0.00 H new ATOM 0 HB1 ALA A 43 26.660 45.759 27.067 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.931 46.135 26.878 1.00 0.00 H new ATOM 0 HB3 ALA A 43 25.470 44.441 26.955 1.00 0.00 H new ATOM 676 N PHE A 44 27.141 44.269 23.294 1.00 0.00 N ATOM 677 CA PHE A 44 28.166 43.455 22.625 1.00 0.00 C ATOM 678 C PHE A 44 28.384 42.066 23.252 1.00 0.00 C ATOM 679 O PHE A 44 29.454 41.471 23.100 1.00 0.00 O ATOM 680 CB PHE A 44 29.459 44.259 22.392 1.00 0.00 C ATOM 681 CG PHE A 44 29.229 45.634 21.787 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.585 45.758 20.540 1.00 0.00 C ATOM 683 CD2 PHE A 44 29.605 46.792 22.495 1.00 0.00 C ATOM 684 CE1 PHE A 44 28.291 47.031 20.020 1.00 0.00 C ATOM 685 CE2 PHE A 44 29.324 48.066 21.968 1.00 0.00 C ATOM 686 CZ PHE A 44 28.658 48.184 20.736 1.00 0.00 C ATOM 0 H PHE A 44 26.386 44.530 22.660 1.00 0.00 H new ATOM 0 HA PHE A 44 27.772 43.214 21.638 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.980 44.374 23.343 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.116 43.689 21.735 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.316 44.873 19.982 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.110 46.702 23.445 1.00 0.00 H new ATOM 0 HE1 PHE A 44 27.784 47.123 19.071 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.620 48.952 22.510 1.00 0.00 H new ATOM 0 HZ PHE A 44 28.428 49.162 20.339 1.00 0.00 H new ATOM 696 N ALA A 45 27.351 41.508 23.895 1.00 0.00 N ATOM 697 CA ALA A 45 27.331 40.131 24.384 1.00 0.00 C ATOM 698 C ALA A 45 25.965 39.440 24.192 1.00 0.00 C ATOM 699 O ALA A 45 24.946 40.086 23.933 1.00 0.00 O ATOM 700 CB ALA A 45 27.825 40.117 25.831 1.00 0.00 C ATOM 0 H ALA A 45 26.489 42.016 24.092 1.00 0.00 H new ATOM 0 HA ALA A 45 28.011 39.530 23.780 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.815 39.095 26.209 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.841 40.509 25.872 1.00 0.00 H new ATOM 0 HB3 ALA A 45 27.171 40.737 26.445 1.00 0.00 H new ATOM 706 N CYS A 46 25.953 38.107 24.266 1.00 0.00 N ATOM 707 CA CYS A 46 24.805 37.271 23.900 1.00 0.00 C ATOM 708 C CYS A 46 23.882 36.947 25.095 1.00 0.00 C ATOM 709 O CYS A 46 24.339 36.544 26.168 1.00 0.00 O ATOM 710 CB CYS A 46 25.352 36.023 23.192 1.00 0.00 C ATOM 711 SG CYS A 46 24.156 34.736 22.749 1.00 0.00 S ATOM 0 H CYS A 46 26.756 37.567 24.588 1.00 0.00 H new ATOM 0 HA CYS A 46 24.151 37.818 23.221 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.856 36.345 22.281 1.00 0.00 H new ATOM 0 HB3 CYS A 46 26.110 35.574 23.834 1.00 0.00 H new ATOM 716 N TRP A 47 22.571 37.110 24.896 1.00 0.00 N ATOM 717 CA TRP A 47 21.508 36.817 25.865 1.00 0.00 C ATOM 718 C TRP A 47 20.585 35.713 25.332 1.00 0.00 C ATOM 719 O TRP A 47 20.039 35.837 24.235 1.00 0.00 O ATOM 720 CB TRP A 47 20.725 38.108 26.139 1.00 0.00 C ATOM 721 CG TRP A 47 19.613 37.991 27.137 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.327 37.692 26.841 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.665 38.119 28.591 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.574 37.669 27.998 1.00 0.00 N ATOM 725 CE2 TRP A 47 18.348 37.923 29.108 1.00 0.00 C ATOM 726 CE3 TRP A 47 20.684 38.410 29.525 1.00 0.00 C ATOM 727 CZ2 TRP A 47 18.056 38.020 30.476 1.00 0.00 C ATOM 728 CZ3 TRP A 47 20.404 38.498 30.903 1.00 0.00 C ATOM 729 CH2 TRP A 47 19.094 38.304 31.379 1.00 0.00 C ATOM 0 H TRP A 47 22.203 37.467 24.014 1.00 0.00 H new ATOM 0 HA TRP A 47 21.944 36.456 26.797 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.424 38.868 26.488 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.308 38.466 25.198 1.00 0.00 H new ATOM 0 HD1 TRP A 47 17.947 37.500 25.849 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.571 37.487 28.027 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.694 38.568 29.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 17.046 37.878 30.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.201 38.716 31.599 1.00 0.00 H new ATOM 0 HH2 TRP A 47 18.887 38.373 32.437 1.00 0.00 H new ATOM 740 N CYS A 48 20.403 34.639 26.100 1.00 0.00 N ATOM 741 CA CYS A 48 19.599 33.479 25.719 1.00 0.00 C ATOM 742 C CYS A 48 18.175 33.540 26.289 1.00 0.00 C ATOM 743 O CYS A 48 17.960 33.930 27.441 1.00 0.00 O ATOM 744 CB CYS A 48 20.301 32.188 26.155 1.00 0.00 C ATOM 745 SG CYS A 48 21.993 31.976 25.543 1.00 0.00 S ATOM 0 H CYS A 48 20.821 34.550 27.026 1.00 0.00 H new ATOM 0 HA CYS A 48 19.504 33.490 24.633 1.00 0.00 H new ATOM 0 HB2 CYS A 48 20.320 32.156 27.244 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.703 31.340 25.821 1.00 0.00 H new ATOM 750 N THR A 49 17.207 33.085 25.493 1.00 0.00 N ATOM 751 CA THR A 49 15.774 33.081 25.818 1.00 0.00 C ATOM 752 C THR A 49 15.152 31.695 25.632 1.00 0.00 C ATOM 753 O THR A 49 15.751 30.795 25.038 1.00 0.00 O ATOM 754 CB THR A 49 15.008 34.167 25.035 1.00 0.00 C ATOM 755 OG1 THR A 49 14.971 33.913 23.648 1.00 0.00 O ATOM 756 CG2 THR A 49 15.611 35.560 25.226 1.00 0.00 C ATOM 0 H THR A 49 17.402 32.695 24.571 1.00 0.00 H new ATOM 0 HA THR A 49 15.684 33.328 26.876 1.00 0.00 H new ATOM 0 HB THR A 49 13.998 34.136 25.445 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.327 33.198 23.464 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.035 36.287 24.654 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.585 35.826 26.283 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.644 35.560 24.878 1.00 0.00 H new ATOM 764 N HIS A 50 13.937 31.526 26.163 1.00 0.00 N ATOM 765 CA HIS A 50 13.150 30.287 26.142 1.00 0.00 C ATOM 766 C HIS A 50 13.833 29.103 26.857 1.00 0.00 C ATOM 767 O HIS A 50 13.810 27.966 26.380 1.00 0.00 O ATOM 768 CB HIS A 50 12.656 29.966 24.721 1.00 0.00 C ATOM 769 CG HIS A 50 12.071 31.157 24.004 1.00 0.00 C ATOM 770 ND1 HIS A 50 12.783 32.014 23.162 1.00 0.00 N ATOM 771 CD2 HIS A 50 10.795 31.626 24.131 1.00 0.00 C ATOM 772 CE1 HIS A 50 11.921 32.974 22.803 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.717 32.763 23.358 1.00 0.00 N ATOM 0 H HIS A 50 13.452 32.285 26.642 1.00 0.00 H new ATOM 0 HA HIS A 50 12.260 30.466 26.745 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.487 29.572 24.136 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.904 29.179 24.776 1.00 0.00 H new ATOM 0 HD2 HIS A 50 10.003 31.191 24.722 1.00 0.00 H new ATOM 0 HE1 HIS A 50 12.162 33.804 22.156 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.888 33.344 23.229 1.00 0.00 H new ATOM 781 N LEU A 51 14.485 29.363 27.998 1.00 0.00 N ATOM 782 CA LEU A 51 15.113 28.353 28.860 1.00 0.00 C ATOM 783 C LEU A 51 14.117 27.821 29.904 1.00 0.00 C ATOM 784 O LEU A 51 13.260 28.569 30.386 1.00 0.00 O ATOM 785 CB LEU A 51 16.367 28.944 29.544 1.00 0.00 C ATOM 786 CG LEU A 51 17.326 29.748 28.640 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.526 30.207 29.469 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.827 28.924 27.454 1.00 0.00 C ATOM 0 H LEU A 51 14.593 30.311 28.358 1.00 0.00 H new ATOM 0 HA LEU A 51 15.420 27.512 28.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 16.040 29.592 30.357 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.928 28.126 29.995 1.00 0.00 H new ATOM 0 HG LEU A 51 16.774 30.601 28.245 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.208 30.776 28.837 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.182 30.836 30.290 1.00 0.00 H new ATOM 0 HD13 LEU A 51 19.044 29.337 29.871 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.498 29.531 26.847 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.362 28.047 27.820 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.979 28.605 26.848 1.00 0.00 H new ATOM 800 N TYR A 52 14.254 26.552 30.305 1.00 0.00 N ATOM 801 CA TYR A 52 13.437 25.958 31.371 1.00 0.00 C ATOM 802 C TYR A 52 13.640 26.660 32.721 1.00 0.00 C ATOM 803 O TYR A 52 14.748 27.061 33.071 1.00 0.00 O ATOM 804 CB TYR A 52 13.673 24.436 31.494 1.00 0.00 C ATOM 805 CG TYR A 52 15.082 23.906 31.270 1.00 0.00 C ATOM 806 CD1 TYR A 52 15.942 23.664 32.355 1.00 0.00 C ATOM 807 CD2 TYR A 52 15.502 23.564 29.970 1.00 0.00 C ATOM 808 CE1 TYR A 52 17.219 23.099 32.147 1.00 0.00 C ATOM 809 CE2 TYR A 52 16.775 23.009 29.749 1.00 0.00 C ATOM 810 CZ TYR A 52 17.636 22.766 30.842 1.00 0.00 C ATOM 811 OH TYR A 52 18.842 22.175 30.637 1.00 0.00 O ATOM 0 H TYR A 52 14.934 25.908 29.900 1.00 0.00 H new ATOM 0 HA TYR A 52 12.397 26.110 31.083 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.357 24.130 32.491 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.013 23.938 30.783 1.00 0.00 H new ATOM 0 HD1 TYR A 52 15.623 23.912 33.357 1.00 0.00 H new ATOM 0 HD2 TYR A 52 14.839 23.730 29.134 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.875 22.922 32.986 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.094 22.769 28.745 1.00 0.00 H new ATOM 0 HH TYR A 52 18.969 22.014 29.679 1.00 0.00 H new ATOM 821 N GLU A 53 12.578 26.755 33.528 1.00 0.00 N ATOM 822 CA GLU A 53 12.648 27.343 34.877 1.00 0.00 C ATOM 823 C GLU A 53 13.636 26.600 35.800 1.00 0.00 C ATOM 824 O GLU A 53 14.245 27.197 36.686 1.00 0.00 O ATOM 825 CB GLU A 53 11.244 27.385 35.505 1.00 0.00 C ATOM 826 CG GLU A 53 10.209 28.196 34.706 1.00 0.00 C ATOM 827 CD GLU A 53 10.622 29.643 34.388 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.356 30.097 33.247 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.211 30.344 35.249 1.00 0.00 O1- ATOM 0 H GLU A 53 11.647 26.429 33.269 1.00 0.00 H new ATOM 0 HA GLU A 53 13.028 28.359 34.769 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.879 26.364 35.616 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.321 27.806 36.507 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.008 27.677 33.769 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.274 28.216 35.266 1.00 0.00 H new ATOM 836 N GLN A 54 13.871 25.307 35.552 1.00 0.00 N ATOM 837 CA GLN A 54 14.824 24.482 36.308 1.00 0.00 C ATOM 838 C GLN A 54 16.309 24.741 35.943 1.00 0.00 C ATOM 839 O GLN A 54 17.199 24.065 36.469 1.00 0.00 O ATOM 840 CB GLN A 54 14.443 22.997 36.144 1.00 0.00 C ATOM 841 CG GLN A 54 12.980 22.671 36.510 1.00 0.00 C ATOM 842 CD GLN A 54 12.626 22.949 37.973 1.00 0.00 C ATOM 843 OE1 GLN A 54 13.454 22.887 38.869 1.00 0.00 O ATOM 844 NE2 GLN A 54 11.389 23.278 38.271 1.00 0.00 N ATOM 0 H GLN A 54 13.397 24.794 34.808 1.00 0.00 H new ATOM 0 HA GLN A 54 14.748 24.770 37.357 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.621 22.701 35.110 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.104 22.394 36.767 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.318 23.254 35.870 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.788 21.620 36.294 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.685 23.335 37.535 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.133 23.477 39.238 1.00 0.00 H new ATOM 853 N ALA A 55 16.594 25.673 35.023 1.00 0.00 N ATOM 854 CA ALA A 55 17.947 26.096 34.662 1.00 0.00 C ATOM 855 C ALA A 55 18.525 27.113 35.665 1.00 0.00 C ATOM 856 O ALA A 55 17.786 27.816 36.360 1.00 0.00 O ATOM 857 CB ALA A 55 17.924 26.685 33.240 1.00 0.00 C ATOM 0 H ALA A 55 15.870 26.163 34.498 1.00 0.00 H new ATOM 0 HA ALA A 55 18.600 25.224 34.692 1.00 0.00 H new ATOM 0 HB1 ALA A 55 18.929 27.003 32.962 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.576 25.927 32.538 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.251 27.542 33.212 1.00 0.00 H new ATOM 863 N VAL A 56 19.852 27.252 35.683 1.00 0.00 N ATOM 864 CA VAL A 56 20.570 28.318 36.400 1.00 0.00 C ATOM 865 C VAL A 56 21.716 28.830 35.526 1.00 0.00 C ATOM 866 O VAL A 56 22.461 28.032 34.956 1.00 0.00 O ATOM 867 CB VAL A 56 21.007 27.857 37.804 1.00 0.00 C ATOM 868 CG1 VAL A 56 22.037 26.723 37.791 1.00 0.00 C ATOM 869 CG2 VAL A 56 21.575 29.022 38.620 1.00 0.00 C ATOM 0 H VAL A 56 20.476 26.614 35.189 1.00 0.00 H new ATOM 0 HA VAL A 56 19.903 29.161 36.581 1.00 0.00 H new ATOM 0 HB VAL A 56 20.098 27.474 38.267 1.00 0.00 H new ATOM 0 HG11 VAL A 56 22.295 26.454 38.815 1.00 0.00 H new ATOM 0 HG12 VAL A 56 21.616 25.855 37.283 1.00 0.00 H new ATOM 0 HG13 VAL A 56 22.934 27.052 37.266 1.00 0.00 H new ATOM 0 HG21 VAL A 56 21.874 28.664 39.605 1.00 0.00 H new ATOM 0 HG22 VAL A 56 22.442 29.438 38.106 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.814 29.794 38.730 1.00 0.00 H new ATOM 879 N VAL A 57 21.850 30.151 35.384 1.00 0.00 N ATOM 880 CA VAL A 57 22.739 30.795 34.389 1.00 0.00 C ATOM 881 C VAL A 57 23.855 31.656 35.015 1.00 0.00 C ATOM 882 O VAL A 57 24.812 32.029 34.330 1.00 0.00 O ATOM 883 CB VAL A 57 21.887 31.577 33.356 1.00 0.00 C ATOM 884 CG1 VAL A 57 22.723 32.038 32.157 1.00 0.00 C ATOM 885 CG2 VAL A 57 20.722 30.735 32.800 1.00 0.00 C ATOM 0 H VAL A 57 21.341 30.821 35.961 1.00 0.00 H new ATOM 0 HA VAL A 57 23.277 30.002 33.870 1.00 0.00 H new ATOM 0 HB VAL A 57 21.498 32.436 33.903 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.088 32.582 31.458 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.525 32.691 32.502 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.152 31.170 31.657 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.156 31.327 32.081 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.118 29.847 32.307 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.067 30.435 33.618 1.00 0.00 H new ATOM 895 N TRP A 58 23.782 31.937 36.319 1.00 0.00 N ATOM 896 CA TRP A 58 24.738 32.788 37.045 1.00 0.00 C ATOM 897 C TRP A 58 26.218 32.343 36.952 1.00 0.00 C ATOM 898 O TRP A 58 26.482 31.141 36.821 1.00 0.00 O ATOM 899 CB TRP A 58 24.295 32.907 38.507 1.00 0.00 C ATOM 900 CG TRP A 58 22.849 33.245 38.667 1.00 0.00 C ATOM 901 CD1 TRP A 58 21.946 32.496 39.334 1.00 0.00 C ATOM 902 CD2 TRP A 58 22.116 34.396 38.146 1.00 0.00 C ATOM 903 NE1 TRP A 58 20.700 33.075 39.228 1.00 0.00 N ATOM 904 CE2 TRP A 58 20.744 34.238 38.495 1.00 0.00 C ATOM 905 CE3 TRP A 58 22.460 35.550 37.406 1.00 0.00 C ATOM 906 CZ2 TRP A 58 19.761 35.153 38.102 1.00 0.00 C ATOM 907 CZ3 TRP A 58 21.480 36.485 37.016 1.00 0.00 C ATOM 908 CH2 TRP A 58 20.130 36.285 37.355 1.00 0.00 C ATOM 0 H TRP A 58 23.040 31.572 36.916 1.00 0.00 H new ATOM 0 HA TRP A 58 24.717 33.759 36.551 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.498 31.966 39.017 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.895 33.672 38.999 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.166 31.584 39.868 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.851 32.689 39.641 1.00 0.00 H new ATOM 0 HE3 TRP A 58 23.492 35.718 37.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.728 34.991 38.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 21.768 37.361 36.453 1.00 0.00 H new ATOM 0 HH2 TRP A 58 19.381 36.997 37.043 1.00 0.00 H new ATOM 919 N PRO A 59 27.184 33.286 37.054 1.00 0.00 N ATOM 920 CA PRO A 59 28.618 33.062 36.839 1.00 0.00 C ATOM 921 C PRO A 59 29.200 31.831 37.534 1.00 0.00 C ATOM 922 O PRO A 59 28.831 31.501 38.669 1.00 0.00 O ATOM 923 CB PRO A 59 29.316 34.334 37.335 1.00 0.00 C ATOM 924 CG PRO A 59 28.286 35.415 37.039 1.00 0.00 C ATOM 925 CD PRO A 59 26.960 34.707 37.296 1.00 0.00 C ATOM 0 HA PRO A 59 28.780 32.859 35.780 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.552 34.279 38.398 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.254 34.513 36.809 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.413 36.282 37.688 1.00 0.00 H new ATOM 0 HG3 PRO A 59 28.360 35.772 36.012 1.00 0.00 H new ATOM 0 HD2 PRO A 59 26.624 34.876 38.319 1.00 0.00 H new ATOM 0 HD3 PRO A 59 26.182 35.093 36.637 1.00 0.00 H new ATOM 933 N LEU A 60 30.150 31.175 36.864 1.00 0.00 N ATOM 934 CA LEU A 60 30.813 29.966 37.358 1.00 0.00 C ATOM 935 C LEU A 60 31.695 30.330 38.569 1.00 0.00 C ATOM 936 O LEU A 60 32.658 31.081 38.388 1.00 0.00 O ATOM 937 CB LEU A 60 31.656 29.319 36.235 1.00 0.00 C ATOM 938 CG LEU A 60 30.851 28.548 35.171 1.00 0.00 C ATOM 939 CD1 LEU A 60 29.995 29.452 34.286 1.00 0.00 C ATOM 940 CD2 LEU A 60 31.787 27.764 34.253 1.00 0.00 C ATOM 0 H LEU A 60 30.486 31.474 35.948 1.00 0.00 H new ATOM 0 HA LEU A 60 30.063 29.240 37.672 1.00 0.00 H new ATOM 0 HB2 LEU A 60 32.230 30.101 35.737 1.00 0.00 H new ATOM 0 HB3 LEU A 60 32.374 28.636 36.689 1.00 0.00 H new ATOM 0 HG LEU A 60 30.193 27.885 35.732 1.00 0.00 H new ATOM 0 HD11 LEU A 60 29.455 28.845 33.560 1.00 0.00 H new ATOM 0 HD12 LEU A 60 29.282 29.997 34.904 1.00 0.00 H new ATOM 0 HD13 LEU A 60 30.636 30.160 33.761 1.00 0.00 H new ATOM 0 HD21 LEU A 60 31.200 27.226 33.508 1.00 0.00 H new ATOM 0 HD22 LEU A 60 32.466 28.453 33.751 1.00 0.00 H new ATOM 0 HD23 LEU A 60 32.364 27.052 34.844 1.00 0.00 H new ATOM 952 N PRO A 61 31.430 29.816 39.786 1.00 0.00 N ATOM 953 CA PRO A 61 32.181 30.215 40.981 1.00 0.00 C ATOM 954 C PRO A 61 33.644 29.747 40.949 1.00 0.00 C ATOM 955 O PRO A 61 34.489 30.337 41.623 1.00 0.00 O ATOM 956 CB PRO A 61 31.412 29.604 42.158 1.00 0.00 C ATOM 957 CG PRO A 61 30.732 28.378 41.551 1.00 0.00 C ATOM 958 CD PRO A 61 30.401 28.843 40.133 1.00 0.00 C ATOM 0 HA PRO A 61 32.249 31.300 41.056 1.00 0.00 H new ATOM 0 HB2 PRO A 61 32.081 29.328 42.973 1.00 0.00 H new ATOM 0 HB3 PRO A 61 30.684 30.304 42.567 1.00 0.00 H new ATOM 0 HG2 PRO A 61 31.391 27.510 41.549 1.00 0.00 H new ATOM 0 HG3 PRO A 61 29.836 28.097 42.104 1.00 0.00 H new ATOM 0 HD2 PRO A 61 30.403 28.005 39.436 1.00 0.00 H new ATOM 0 HD3 PRO A 61 29.408 29.291 40.090 1.00 0.00 H new ATOM 966 N ASN A 62 33.955 28.714 40.159 1.00 0.00 N ATOM 967 CA ASN A 62 35.282 28.108 40.063 1.00 0.00 C ATOM 968 C ASN A 62 36.204 28.819 39.059 1.00 0.00 C ATOM 969 O ASN A 62 37.322 29.206 39.404 1.00 0.00 O ATOM 970 CB ASN A 62 35.120 26.610 39.747 1.00 0.00 C ATOM 971 CG ASN A 62 34.304 26.246 38.515 1.00 0.00 C ATOM 972 OD1 ASN A 62 33.145 26.621 38.384 1.00 0.00 O ATOM 973 ND2 ASN A 62 34.875 25.511 37.595 1.00 0.00 N ATOM 0 H ASN A 62 33.269 28.265 39.552 1.00 0.00 H new ATOM 0 HA ASN A 62 35.783 28.224 41.024 1.00 0.00 H new ATOM 0 HB2 ASN A 62 36.115 26.179 39.634 1.00 0.00 H new ATOM 0 HB3 ASN A 62 34.661 26.130 40.611 1.00 0.00 H new ATOM 0 HD21 ASN A 62 34.355 25.245 36.759 1.00 0.00 H new ATOM 0 HD22 ASN A 62 35.840 25.204 37.714 1.00 0.00 H new ATOM 980 N LYS A 63 35.728 28.991 37.824 1.00 0.00 N ATOM 981 CA LYS A 63 36.460 29.629 36.706 1.00 0.00 C ATOM 982 C LYS A 63 36.798 31.107 36.970 1.00 0.00 C ATOM 983 O LYS A 63 36.100 31.779 37.740 1.00 0.00 O ATOM 984 CB LYS A 63 35.644 29.521 35.405 1.00 0.00 C ATOM 985 CG LYS A 63 35.259 28.099 34.971 1.00 0.00 C ATOM 986 CD LYS A 63 36.452 27.166 34.738 1.00 0.00 C ATOM 987 CE LYS A 63 35.938 25.893 34.061 1.00 0.00 C ATOM 988 NZ LYS A 63 37.024 25.008 33.584 1.00 0.00 N1+ ATOM 0 H LYS A 63 34.793 28.683 37.557 1.00 0.00 H new ATOM 0 HA LYS A 63 37.403 29.091 36.611 1.00 0.00 H new ATOM 0 HB2 LYS A 63 34.731 30.104 35.522 1.00 0.00 H new ATOM 0 HB3 LYS A 63 36.216 29.983 34.601 1.00 0.00 H new ATOM 0 HG2 LYS A 63 34.614 27.661 35.733 1.00 0.00 H new ATOM 0 HG3 LYS A 63 34.674 28.158 34.053 1.00 0.00 H new ATOM 0 HD2 LYS A 63 37.200 27.654 34.113 1.00 0.00 H new ATOM 0 HD3 LYS A 63 36.936 26.924 35.684 1.00 0.00 H new ATOM 0 HE2 LYS A 63 35.312 25.343 34.763 1.00 0.00 H new ATOM 0 HE3 LYS A 63 35.305 26.168 33.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 36.640 24.062 33.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 37.436 25.402 32.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 37.760 24.937 34.315 1.00 0.00 H new ATOM 1002 N ARG A 64 37.822 31.651 36.294 1.00 0.00 N ATOM 1003 CA ARG A 64 38.270 33.054 36.426 1.00 0.00 C ATOM 1004 C ARG A 64 38.832 33.628 35.110 1.00 0.00 C ATOM 1005 O ARG A 64 40.002 33.451 34.764 1.00 0.00 O ATOM 1006 CB ARG A 64 39.253 33.140 37.615 1.00 0.00 C ATOM 1007 CG ARG A 64 39.286 34.499 38.339 1.00 0.00 C ATOM 1008 CD ARG A 64 37.931 35.044 38.835 1.00 0.00 C ATOM 1009 NE ARG A 64 37.015 33.990 39.316 1.00 0.00 N ATOM 1010 CZ ARG A 64 36.291 33.970 40.418 1.00 0.00 C ATOM 1011 NH1 ARG A 64 36.446 34.799 41.404 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 35.366 33.074 40.566 1.00 0.00 N ATOM 0 H ARG A 64 38.377 31.119 35.624 1.00 0.00 H new ATOM 0 HA ARG A 64 37.413 33.694 36.639 1.00 0.00 H new ATOM 0 HB2 ARG A 64 38.993 32.367 38.338 1.00 0.00 H new ATOM 0 HB3 ARG A 64 40.256 32.914 37.254 1.00 0.00 H new ATOM 0 HG2 ARG A 64 39.954 34.414 39.196 1.00 0.00 H new ATOM 0 HG3 ARG A 64 39.724 35.235 37.665 1.00 0.00 H new ATOM 0 HD2 ARG A 64 38.107 35.757 39.640 1.00 0.00 H new ATOM 0 HD3 ARG A 64 37.449 35.591 38.025 1.00 0.00 H new ATOM 0 HE ARG A 64 36.931 33.169 38.717 1.00 0.00 H new ATOM 0 HH11 ARG A 64 37.163 35.522 41.354 1.00 0.00 H new ATOM 0 HH12 ARG A 64 35.850 34.727 42.229 1.00 0.00 H new ATOM 0 HH21 ARG A 64 35.200 32.387 39.831 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.805 33.056 41.417 1.00 0.00 H new ATOM 1026 N CYS A 65 37.970 34.321 34.369 1.00 0.00 N ATOM 1027 CA CYS A 65 38.250 34.898 33.053 1.00 0.00 C ATOM 1028 C CYS A 65 39.322 36.010 33.084 1.00 0.00 C ATOM 1029 O CYS A 65 39.415 36.769 34.057 1.00 0.00 O ATOM 1030 CB CYS A 65 36.935 35.431 32.470 1.00 0.00 C ATOM 1031 SG CYS A 65 37.111 36.101 30.800 1.00 0.00 S ATOM 0 H CYS A 65 37.016 34.504 34.681 1.00 0.00 H new ATOM 0 HA CYS A 65 38.665 34.111 32.423 1.00 0.00 H new ATOM 0 HB2 CYS A 65 36.200 34.626 32.455 1.00 0.00 H new ATOM 0 HB3 CYS A 65 36.544 36.208 33.126 1.00 0.00 H new ATOM 1036 N LYS A 66 40.104 36.146 31.999 1.00 0.00 N ATOM 1037 CA LYS A 66 41.260 37.061 31.892 1.00 0.00 C ATOM 1038 C LYS A 66 40.950 38.542 32.175 1.00 0.00 C ATOM 1039 O LYS A 66 41.758 39.245 32.782 1.00 0.00 O ATOM 1040 CB LYS A 66 41.974 36.865 30.533 1.00 0.00 C ATOM 1041 CG LYS A 66 41.239 37.433 29.300 1.00 0.00 C ATOM 1042 CD LYS A 66 42.022 37.165 28.002 1.00 0.00 C ATOM 1043 CE LYS A 66 41.458 37.973 26.826 1.00 0.00 C ATOM 1044 NZ LYS A 66 42.208 37.732 25.567 1.00 0.00 N1+ ATOM 0 H LYS A 66 39.947 35.608 31.147 1.00 0.00 H new ATOM 0 HA LYS A 66 41.937 36.780 32.699 1.00 0.00 H new ATOM 0 HB2 LYS A 66 42.959 37.329 30.591 1.00 0.00 H new ATOM 0 HB3 LYS A 66 42.133 35.798 30.378 1.00 0.00 H new ATOM 0 HG2 LYS A 66 40.248 36.984 29.227 1.00 0.00 H new ATOM 0 HG3 LYS A 66 41.095 38.506 29.424 1.00 0.00 H new ATOM 0 HD2 LYS A 66 43.071 37.420 28.150 1.00 0.00 H new ATOM 0 HD3 LYS A 66 41.983 36.102 27.766 1.00 0.00 H new ATOM 0 HE2 LYS A 66 40.410 37.712 26.678 1.00 0.00 H new ATOM 0 HE3 LYS A 66 41.491 39.035 27.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 41.791 38.299 24.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 43.203 38.005 25.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 42.156 36.723 25.319 1.00 0.00 H new HETATM 1058 N NH2 A 67 39.785 39.037 31.795 1.00 0.00 N TER 1061 NH2 A 67