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 86:sc= 1.31 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 1.01 K(o=2.3,f=-4.7!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 1.06 (180deg=0) USER MOD Set 2.2: A 15 THR OG1 : rot 172:sc= 0.852 USER MOD Single : A 1 LYS N :NH3+ -156:sc= 1.02 (180deg=0.603) USER MOD Single : A 1 LYS NZ :NH3+ -112:sc= 0.58 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 60:sc= 1.27 USER MOD Single : A 14 TYR OH : rot 145:sc= 1.26 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -155:sc= 1.31 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0.595 K(o=0.6,f=-2.6!) 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= 1.12 K(o=1.1,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 1.18 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.552 30.863 29.696 1.00 0.00 N ATOM 2 CA LYS A 1 12.399 31.657 30.618 1.00 0.00 C ATOM 3 C LYS A 1 13.572 32.294 29.871 1.00 0.00 C ATOM 4 O LYS A 1 14.109 31.691 28.944 1.00 0.00 O ATOM 5 CB LYS A 1 12.874 30.800 31.811 1.00 0.00 C ATOM 6 CG LYS A 1 13.325 31.645 33.013 1.00 0.00 C ATOM 7 CD LYS A 1 13.438 30.814 34.297 1.00 0.00 C ATOM 8 CE LYS A 1 13.694 31.725 35.501 1.00 0.00 C ATOM 9 NZ LYS A 1 13.556 30.990 36.776 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 10.592 30.784 30.088 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.510 31.334 28.770 1.00 0.00 H new ATOM 0 H3 LYS A 1 11.959 29.913 29.583 1.00 0.00 H new ATOM 0 HA LYS A 1 11.794 32.468 31.024 1.00 0.00 H new ATOM 0 HB2 LYS A 1 12.065 30.139 32.121 1.00 0.00 H new ATOM 0 HB3 LYS A 1 13.700 30.165 31.490 1.00 0.00 H new ATOM 0 HG2 LYS A 1 14.290 32.102 32.792 1.00 0.00 H new ATOM 0 HG3 LYS A 1 12.616 32.458 33.170 1.00 0.00 H new ATOM 0 HD2 LYS A 1 12.521 30.245 34.452 1.00 0.00 H new ATOM 0 HD3 LYS A 1 14.249 30.092 34.200 1.00 0.00 H new ATOM 0 HE2 LYS A 1 14.696 32.149 35.431 1.00 0.00 H new ATOM 0 HE3 LYS A 1 12.993 32.559 35.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 12.720 31.337 37.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 13.446 29.974 36.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 14.405 31.141 37.357 1.00 0.00 H new ATOM 25 N GLU A 2 13.975 33.505 30.254 1.00 0.00 N ATOM 26 CA GLU A 2 15.167 34.196 29.721 1.00 0.00 C ATOM 27 C GLU A 2 16.396 34.125 30.660 1.00 0.00 C ATOM 28 O GLU A 2 16.252 33.874 31.862 1.00 0.00 O ATOM 29 CB GLU A 2 14.807 35.658 29.412 1.00 0.00 C ATOM 30 CG GLU A 2 13.940 35.841 28.154 1.00 0.00 C ATOM 31 CD GLU A 2 12.480 36.220 28.417 1.00 0.00 C ATOM 32 OE1 GLU A 2 11.588 35.632 27.757 1.00 0.00 O ATOM 33 OE2 GLU A 2 12.212 37.157 29.210 1.00 0.00 O1- ATOM 0 H GLU A 2 13.478 34.051 30.957 1.00 0.00 H new ATOM 0 HA GLU A 2 15.461 33.676 28.810 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.279 36.079 30.268 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.727 36.230 29.292 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.392 36.612 27.530 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.960 34.914 27.580 1.00 0.00 H new ATOM 40 N GLY A 3 17.607 34.373 30.140 1.00 0.00 N ATOM 41 CA GLY A 3 18.824 34.498 30.961 1.00 0.00 C ATOM 42 C GLY A 3 20.122 34.775 30.188 1.00 0.00 C ATOM 43 O GLY A 3 20.209 34.562 28.979 1.00 0.00 O ATOM 0 H GLY A 3 17.772 34.493 29.141 1.00 0.00 H new ATOM 0 HA2 GLY A 3 18.673 35.302 31.682 1.00 0.00 H new ATOM 0 HA3 GLY A 3 18.952 33.578 31.532 1.00 0.00 H new ATOM 47 N TYR A 4 21.148 35.242 30.899 1.00 0.00 N ATOM 48 CA TYR A 4 22.456 35.618 30.349 1.00 0.00 C ATOM 49 C TYR A 4 23.298 34.409 29.896 1.00 0.00 C ATOM 50 O TYR A 4 23.424 33.434 30.636 1.00 0.00 O ATOM 51 CB TYR A 4 23.187 36.421 31.434 1.00 0.00 C ATOM 52 CG TYR A 4 24.372 37.230 30.954 1.00 0.00 C ATOM 53 CD1 TYR A 4 24.151 38.520 30.441 1.00 0.00 C ATOM 54 CD2 TYR A 4 25.688 36.743 31.083 1.00 0.00 C ATOM 55 CE1 TYR A 4 25.235 39.330 30.068 1.00 0.00 C ATOM 56 CE2 TYR A 4 26.781 37.560 30.727 1.00 0.00 C ATOM 57 CZ TYR A 4 26.558 38.864 30.231 1.00 0.00 C ATOM 58 OH TYR A 4 27.601 39.693 29.959 1.00 0.00 O ATOM 0 H TYR A 4 21.092 35.375 31.909 1.00 0.00 H new ATOM 0 HA TYR A 4 22.305 36.211 29.447 1.00 0.00 H new ATOM 0 HB2 TYR A 4 22.473 37.097 31.905 1.00 0.00 H new ATOM 0 HB3 TYR A 4 23.528 35.731 32.205 1.00 0.00 H new ATOM 0 HD1 TYR A 4 23.142 38.890 30.333 1.00 0.00 H new ATOM 0 HD2 TYR A 4 25.860 35.744 31.455 1.00 0.00 H new ATOM 0 HE1 TYR A 4 25.057 40.312 29.655 1.00 0.00 H new ATOM 0 HE2 TYR A 4 27.789 37.189 30.834 1.00 0.00 H new ATOM 0 HH TYR A 4 28.445 39.222 30.122 1.00 0.00 H new ATOM 68 N LEU A 5 23.927 34.467 28.712 1.00 0.00 N ATOM 69 CA LEU A 5 24.822 33.398 28.238 1.00 0.00 C ATOM 70 C LEU A 5 26.237 33.545 28.827 1.00 0.00 C ATOM 71 O LEU A 5 26.870 34.597 28.688 1.00 0.00 O ATOM 72 CB LEU A 5 24.852 33.367 26.697 1.00 0.00 C ATOM 73 CG LEU A 5 25.621 32.172 26.083 1.00 0.00 C ATOM 74 CD1 LEU A 5 24.897 30.844 26.311 1.00 0.00 C ATOM 75 CD2 LEU A 5 25.768 32.372 24.575 1.00 0.00 C ATOM 0 H LEU A 5 23.832 35.247 28.062 1.00 0.00 H new ATOM 0 HA LEU A 5 24.428 32.444 28.589 1.00 0.00 H new ATOM 0 HB2 LEU A 5 23.826 33.348 26.329 1.00 0.00 H new ATOM 0 HB3 LEU A 5 25.302 34.293 26.338 1.00 0.00 H new ATOM 0 HG LEU A 5 26.593 32.133 26.574 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.473 30.034 25.863 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.792 30.666 27.381 1.00 0.00 H new ATOM 0 HD13 LEU A 5 23.910 30.884 25.851 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.310 31.529 24.147 1.00 0.00 H new ATOM 0 HD22 LEU A 5 24.780 32.438 24.119 1.00 0.00 H new ATOM 0 HD23 LEU A 5 26.319 33.293 24.382 1.00 0.00 H new ATOM 87 N VAL A 6 26.764 32.470 29.422 1.00 0.00 N ATOM 88 CA VAL A 6 28.153 32.388 29.912 1.00 0.00 C ATOM 89 C VAL A 6 28.700 30.960 29.815 1.00 0.00 C ATOM 90 O VAL A 6 28.034 29.988 30.191 1.00 0.00 O ATOM 91 CB VAL A 6 28.288 32.980 31.334 1.00 0.00 C ATOM 92 CG1 VAL A 6 27.488 32.223 32.404 1.00 0.00 C ATOM 93 CG2 VAL A 6 29.751 33.050 31.792 1.00 0.00 C ATOM 0 H VAL A 6 26.232 31.615 29.582 1.00 0.00 H new ATOM 0 HA VAL A 6 28.772 33.003 29.259 1.00 0.00 H new ATOM 0 HB VAL A 6 27.871 33.983 31.243 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.635 32.700 33.373 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.429 32.241 32.147 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.832 31.190 32.452 1.00 0.00 H new ATOM 0 HG21 VAL A 6 29.798 33.472 32.796 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.178 32.047 31.799 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.317 33.681 31.106 1.00 0.00 H new ATOM 103 N ASP A 7 29.917 30.820 29.288 1.00 0.00 N ATOM 104 CA ASP A 7 30.655 29.555 29.235 1.00 0.00 C ATOM 105 C ASP A 7 31.243 29.208 30.610 1.00 0.00 C ATOM 106 O ASP A 7 32.053 29.943 31.170 1.00 0.00 O ATOM 107 CB ASP A 7 31.721 29.636 28.127 1.00 0.00 C ATOM 108 CG ASP A 7 32.615 28.403 27.971 1.00 0.00 C ATOM 109 OD1 ASP A 7 32.444 27.380 28.670 1.00 0.00 O ATOM 110 OD2 ASP A 7 33.481 28.429 27.066 1.00 0.00 O1- ATOM 0 H ASP A 7 30.430 31.600 28.877 1.00 0.00 H new ATOM 0 HA ASP A 7 29.978 28.738 28.984 1.00 0.00 H new ATOM 0 HB2 ASP A 7 31.218 29.819 27.178 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.356 30.500 28.323 1.00 0.00 H new ATOM 115 N TYR A 8 30.814 28.086 31.186 1.00 0.00 N ATOM 116 CA TYR A 8 31.273 27.638 32.509 1.00 0.00 C ATOM 117 C TYR A 8 32.737 27.153 32.539 1.00 0.00 C ATOM 118 O TYR A 8 33.360 27.186 33.600 1.00 0.00 O ATOM 119 CB TYR A 8 30.327 26.543 33.029 1.00 0.00 C ATOM 120 CG TYR A 8 30.157 25.360 32.092 1.00 0.00 C ATOM 121 CD1 TYR A 8 29.050 25.308 31.226 1.00 0.00 C ATOM 122 CD2 TYR A 8 31.094 24.310 32.091 1.00 0.00 C ATOM 123 CE1 TYR A 8 28.904 24.238 30.324 1.00 0.00 C ATOM 124 CE2 TYR A 8 30.947 23.233 31.196 1.00 0.00 C ATOM 125 CZ TYR A 8 29.861 23.202 30.297 1.00 0.00 C ATOM 126 OH TYR A 8 29.737 22.168 29.427 1.00 0.00 O ATOM 0 H TYR A 8 30.138 27.458 30.752 1.00 0.00 H new ATOM 0 HA TYR A 8 31.247 28.509 33.163 1.00 0.00 H new ATOM 0 HB2 TYR A 8 30.702 26.181 33.986 1.00 0.00 H new ATOM 0 HB3 TYR A 8 29.349 26.985 33.217 1.00 0.00 H new ATOM 0 HD1 TYR A 8 28.309 26.093 31.253 1.00 0.00 H new ATOM 0 HD2 TYR A 8 31.927 24.330 32.778 1.00 0.00 H new ATOM 0 HE1 TYR A 8 28.059 24.210 29.652 1.00 0.00 H new ATOM 0 HE2 TYR A 8 31.668 22.429 31.198 1.00 0.00 H new ATOM 0 HH TYR A 8 30.486 21.548 29.547 1.00 0.00 H new ATOM 136 N HIS A 9 33.290 26.697 31.406 1.00 0.00 N ATOM 137 CA HIS A 9 34.605 26.030 31.341 1.00 0.00 C ATOM 138 C HIS A 9 35.718 26.932 30.784 1.00 0.00 C ATOM 139 O HIS A 9 36.882 26.785 31.161 1.00 0.00 O ATOM 140 CB HIS A 9 34.463 24.755 30.493 1.00 0.00 C ATOM 141 CG HIS A 9 35.531 23.720 30.749 1.00 0.00 C ATOM 142 ND1 HIS A 9 35.524 22.799 31.805 1.00 0.00 N ATOM 143 CD2 HIS A 9 36.628 23.493 29.974 1.00 0.00 C ATOM 144 CE1 HIS A 9 36.619 22.035 31.631 1.00 0.00 C ATOM 145 NE2 HIS A 9 37.302 22.435 30.549 1.00 0.00 N ATOM 0 H HIS A 9 32.834 26.780 30.497 1.00 0.00 H new ATOM 0 HA HIS A 9 34.908 25.785 32.359 1.00 0.00 H new ATOM 0 HB2 HIS A 9 33.487 24.310 30.687 1.00 0.00 H new ATOM 0 HB3 HIS A 9 34.484 25.029 29.438 1.00 0.00 H new ATOM 0 HD2 HIS A 9 36.914 24.035 29.084 1.00 0.00 H new ATOM 0 HE1 HIS A 9 36.907 21.215 32.273 1.00 0.00 H new ATOM 0 HE2 HIS A 9 38.172 22.027 30.208 1.00 0.00 H new ATOM 153 N THR A 10 35.351 27.867 29.903 1.00 0.00 N ATOM 154 CA THR A 10 36.238 28.833 29.222 1.00 0.00 C ATOM 155 C THR A 10 35.493 30.163 29.020 1.00 0.00 C ATOM 156 O THR A 10 35.259 30.620 27.898 1.00 0.00 O ATOM 157 CB THR A 10 36.821 28.263 27.906 1.00 0.00 C ATOM 158 OG1 THR A 10 35.915 27.420 27.212 1.00 0.00 O ATOM 159 CG2 THR A 10 38.087 27.443 28.165 1.00 0.00 C ATOM 0 H THR A 10 34.376 27.982 29.626 1.00 0.00 H new ATOM 0 HA THR A 10 37.103 29.025 29.858 1.00 0.00 H new ATOM 0 HB THR A 10 37.037 29.140 27.296 1.00 0.00 H new ATOM 0 HG1 THR A 10 35.110 27.927 26.979 1.00 0.00 H new ATOM 0 HG21 THR A 10 38.470 27.057 27.220 1.00 0.00 H new ATOM 0 HG22 THR A 10 38.842 28.076 28.632 1.00 0.00 H new ATOM 0 HG23 THR A 10 37.852 26.610 28.828 1.00 0.00 H new ATOM 167 N GLY A 11 35.106 30.775 30.141 1.00 0.00 N ATOM 168 CA GLY A 11 34.173 31.897 30.320 1.00 0.00 C ATOM 169 C GLY A 11 34.551 33.275 29.789 1.00 0.00 C ATOM 170 O GLY A 11 34.234 34.285 30.420 1.00 0.00 O ATOM 0 H GLY A 11 35.475 30.467 31.041 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.229 31.615 29.855 1.00 0.00 H new ATOM 0 HA3 GLY A 11 33.984 31.998 31.389 1.00 0.00 H new ATOM 174 N CYS A 12 35.236 33.338 28.650 1.00 0.00 N ATOM 175 CA CYS A 12 35.458 34.582 27.926 1.00 0.00 C ATOM 176 C CYS A 12 34.113 35.087 27.378 1.00 0.00 C ATOM 177 O CYS A 12 33.313 34.308 26.845 1.00 0.00 O ATOM 178 CB CYS A 12 36.501 34.357 26.830 1.00 0.00 C ATOM 179 SG CYS A 12 38.223 34.557 27.381 1.00 0.00 S ATOM 0 H CYS A 12 35.654 32.522 28.203 1.00 0.00 H new ATOM 0 HA CYS A 12 35.854 35.354 28.586 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.376 33.352 26.426 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.310 35.054 26.014 1.00 0.00 H new ATOM 184 N LYS A 13 33.853 36.385 27.544 1.00 0.00 N ATOM 185 CA LYS A 13 32.560 37.044 27.296 1.00 0.00 C ATOM 186 C LYS A 13 32.010 36.858 25.877 1.00 0.00 C ATOM 187 O LYS A 13 32.744 36.900 24.885 1.00 0.00 O ATOM 188 CB LYS A 13 32.660 38.521 27.717 1.00 0.00 C ATOM 189 CG LYS A 13 33.769 39.308 26.991 1.00 0.00 C ATOM 190 CD LYS A 13 34.114 40.619 27.708 1.00 0.00 C ATOM 191 CE LYS A 13 33.015 41.688 27.656 1.00 0.00 C ATOM 192 NZ LYS A 13 32.855 42.288 26.311 1.00 0.00 N1+ ATOM 0 H LYS A 13 34.566 37.038 27.869 1.00 0.00 H new ATOM 0 HA LYS A 13 31.813 36.545 27.914 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.702 39.007 27.530 1.00 0.00 H new ATOM 0 HB3 LYS A 13 32.838 38.570 28.791 1.00 0.00 H new ATOM 0 HG2 LYS A 13 34.663 38.689 26.919 1.00 0.00 H new ATOM 0 HG3 LYS A 13 33.449 39.526 25.972 1.00 0.00 H new ATOM 0 HD2 LYS A 13 34.338 40.398 28.752 1.00 0.00 H new ATOM 0 HD3 LYS A 13 35.022 41.030 27.267 1.00 0.00 H new ATOM 0 HE2 LYS A 13 32.069 41.244 27.965 1.00 0.00 H new ATOM 0 HE3 LYS A 13 33.247 42.475 28.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 32.100 43.002 26.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 33.747 42.738 26.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 32.606 41.545 25.627 1.00 0.00 H new ATOM 206 N TYR A 14 30.698 36.659 25.783 1.00 0.00 N ATOM 207 CA TYR A 14 29.954 36.522 24.524 1.00 0.00 C ATOM 208 C TYR A 14 29.477 37.883 23.987 1.00 0.00 C ATOM 209 O TYR A 14 28.283 38.182 23.950 1.00 0.00 O ATOM 210 CB TYR A 14 28.821 35.497 24.694 1.00 0.00 C ATOM 211 CG TYR A 14 29.280 34.054 24.621 1.00 0.00 C ATOM 212 CD1 TYR A 14 29.192 33.193 25.735 1.00 0.00 C ATOM 213 CD2 TYR A 14 29.755 33.566 23.389 1.00 0.00 C ATOM 214 CE1 TYR A 14 29.558 31.835 25.610 1.00 0.00 C ATOM 215 CE2 TYR A 14 30.125 32.219 23.261 1.00 0.00 C ATOM 216 CZ TYR A 14 30.011 31.350 24.363 1.00 0.00 C ATOM 217 OH TYR A 14 30.317 30.039 24.192 1.00 0.00 O ATOM 0 H TYR A 14 30.099 36.586 26.606 1.00 0.00 H new ATOM 0 HA TYR A 14 30.625 36.136 23.756 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.334 35.665 25.655 1.00 0.00 H new ATOM 0 HB3 TYR A 14 28.071 35.669 23.922 1.00 0.00 H new ATOM 0 HD1 TYR A 14 28.844 33.573 26.684 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.835 34.230 22.541 1.00 0.00 H new ATOM 0 HE1 TYR A 14 29.492 31.173 26.461 1.00 0.00 H new ATOM 0 HE2 TYR A 14 30.497 31.849 22.317 1.00 0.00 H new ATOM 0 HH TYR A 14 30.070 29.761 23.285 1.00 0.00 H new ATOM 227 N THR A 15 30.433 38.719 23.581 1.00 0.00 N ATOM 228 CA THR A 15 30.188 40.071 23.048 1.00 0.00 C ATOM 229 C THR A 15 29.571 40.063 21.642 1.00 0.00 C ATOM 230 O THR A 15 29.876 39.191 20.823 1.00 0.00 O ATOM 231 CB THR A 15 31.492 40.881 22.947 1.00 0.00 C ATOM 232 OG1 THR A 15 32.332 40.662 24.052 1.00 0.00 O ATOM 233 CG2 THR A 15 31.269 42.386 22.864 1.00 0.00 C ATOM 0 H THR A 15 31.423 38.475 23.612 1.00 0.00 H new ATOM 0 HA THR A 15 29.491 40.522 23.754 1.00 0.00 H new ATOM 0 HB THR A 15 31.951 40.527 22.024 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.200 41.088 23.893 1.00 0.00 H new ATOM 0 HG21 THR A 15 32.231 42.893 22.795 1.00 0.00 H new ATOM 0 HG22 THR A 15 30.673 42.617 21.981 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.743 42.726 23.756 1.00 0.00 H new ATOM 241 N CYS A 16 28.799 41.099 21.327 1.00 0.00 N ATOM 242 CA CYS A 16 28.297 41.434 19.991 1.00 0.00 C ATOM 243 C CYS A 16 28.840 42.803 19.547 1.00 0.00 C ATOM 244 O CYS A 16 28.974 43.716 20.369 1.00 0.00 O ATOM 245 CB CYS A 16 26.765 41.455 19.985 1.00 0.00 C ATOM 246 SG CYS A 16 25.930 39.934 20.492 1.00 0.00 S ATOM 0 H CYS A 16 28.488 41.766 22.033 1.00 0.00 H new ATOM 0 HA CYS A 16 28.641 40.671 19.292 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.433 42.260 20.641 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.432 41.706 18.978 1.00 0.00 H new ATOM 251 N ALA A 17 29.105 42.978 18.250 1.00 0.00 N ATOM 252 CA ALA A 17 29.524 44.266 17.691 1.00 0.00 C ATOM 253 C ALA A 17 28.344 45.247 17.519 1.00 0.00 C ATOM 254 O ALA A 17 28.523 46.470 17.603 1.00 0.00 O ATOM 255 CB ALA A 17 30.224 43.985 16.360 1.00 0.00 C ATOM 0 H ALA A 17 29.035 42.232 17.558 1.00 0.00 H new ATOM 0 HA ALA A 17 30.207 44.759 18.383 1.00 0.00 H new ATOM 0 HB1 ALA A 17 30.550 44.925 15.915 1.00 0.00 H new ATOM 0 HB2 ALA A 17 31.090 43.345 16.532 1.00 0.00 H new ATOM 0 HB3 ALA A 17 29.532 43.484 15.683 1.00 0.00 H new ATOM 261 N LYS A 18 27.131 44.714 17.299 1.00 0.00 N ATOM 262 CA LYS A 18 25.876 45.455 17.108 1.00 0.00 C ATOM 263 C LYS A 18 24.735 44.864 17.939 1.00 0.00 C ATOM 264 O LYS A 18 24.712 43.669 18.249 1.00 0.00 O ATOM 265 CB LYS A 18 25.498 45.473 15.615 1.00 0.00 C ATOM 266 CG LYS A 18 26.589 46.076 14.709 1.00 0.00 C ATOM 267 CD LYS A 18 26.126 46.199 13.253 1.00 0.00 C ATOM 268 CE LYS A 18 25.961 44.835 12.573 1.00 0.00 C ATOM 269 NZ LYS A 18 25.268 44.963 11.272 1.00 0.00 N1+ ATOM 0 H LYS A 18 26.994 43.705 17.247 1.00 0.00 H new ATOM 0 HA LYS A 18 26.036 46.477 17.453 1.00 0.00 H new ATOM 0 HB2 LYS A 18 25.290 44.454 15.289 1.00 0.00 H new ATOM 0 HB3 LYS A 18 24.577 46.042 15.489 1.00 0.00 H new ATOM 0 HG2 LYS A 18 26.868 47.060 15.085 1.00 0.00 H new ATOM 0 HG3 LYS A 18 27.482 45.453 14.754 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.177 46.735 13.221 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.848 46.795 12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.940 44.380 12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.396 44.168 13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 25.171 44.024 10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 24.325 45.375 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 25.820 45.581 10.644 1.00 0.00 H new ATOM 283 N LEU A 19 23.746 45.701 18.260 1.00 0.00 N ATOM 284 CA LEU A 19 22.489 45.329 18.921 1.00 0.00 C ATOM 285 C LEU A 19 21.534 44.635 17.931 1.00 0.00 C ATOM 286 O LEU A 19 20.456 45.141 17.608 1.00 0.00 O ATOM 287 CB LEU A 19 21.872 46.574 19.596 1.00 0.00 C ATOM 288 CG LEU A 19 22.790 47.291 20.606 1.00 0.00 C ATOM 289 CD1 LEU A 19 22.045 48.472 21.227 1.00 0.00 C ATOM 290 CD2 LEU A 19 23.251 46.368 21.736 1.00 0.00 C ATOM 0 H LEU A 19 23.800 46.699 18.059 1.00 0.00 H new ATOM 0 HA LEU A 19 22.684 44.599 19.707 1.00 0.00 H new ATOM 0 HB2 LEU A 19 21.586 47.284 18.821 1.00 0.00 H new ATOM 0 HB3 LEU A 19 20.957 46.275 20.108 1.00 0.00 H new ATOM 0 HG LEU A 19 23.670 47.624 20.055 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.695 48.978 21.941 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.753 49.171 20.443 1.00 0.00 H new ATOM 0 HD13 LEU A 19 21.154 48.111 21.741 1.00 0.00 H new ATOM 0 HD21 LEU A 19 23.895 46.922 22.419 1.00 0.00 H new ATOM 0 HD22 LEU A 19 22.382 45.995 22.278 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.805 45.528 21.317 1.00 0.00 H new ATOM 302 N GLY A 20 21.972 43.494 17.397 1.00 0.00 N ATOM 303 CA GLY A 20 21.323 42.789 16.288 1.00 0.00 C ATOM 304 C GLY A 20 22.120 41.621 15.688 1.00 0.00 C ATOM 305 O GLY A 20 21.751 41.119 14.628 1.00 0.00 O ATOM 0 H GLY A 20 22.811 43.021 17.732 1.00 0.00 H new ATOM 0 HA2 GLY A 20 20.362 42.409 16.635 1.00 0.00 H new ATOM 0 HA3 GLY A 20 21.115 43.508 15.496 1.00 0.00 H new ATOM 309 N ASP A 21 23.231 41.190 16.292 1.00 0.00 N ATOM 310 CA ASP A 21 24.075 40.087 15.793 1.00 0.00 C ATOM 311 C ASP A 21 23.595 38.693 16.260 1.00 0.00 C ATOM 312 O ASP A 21 24.391 37.761 16.413 1.00 0.00 O ATOM 313 CB ASP A 21 25.553 40.374 16.128 1.00 0.00 C ATOM 314 CG ASP A 21 26.095 41.657 15.493 1.00 0.00 C ATOM 315 OD1 ASP A 21 27.145 42.156 15.960 1.00 0.00 O ATOM 316 OD2 ASP A 21 25.554 42.097 14.448 1.00 0.00 O1- ATOM 0 H ASP A 21 23.580 41.602 17.157 1.00 0.00 H new ATOM 0 HA ASP A 21 23.979 40.046 14.708 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.664 40.441 17.210 1.00 0.00 H new ATOM 0 HB3 ASP A 21 26.161 39.532 15.797 1.00 0.00 H new ATOM 321 N ASN A 22 22.286 38.550 16.494 1.00 0.00 N ATOM 322 CA ASN A 22 21.632 37.423 17.156 1.00 0.00 C ATOM 323 C ASN A 22 21.940 36.025 16.588 1.00 0.00 C ATOM 324 O ASN A 22 21.934 35.077 17.368 1.00 0.00 O ATOM 325 CB ASN A 22 20.111 37.691 17.216 1.00 0.00 C ATOM 326 CG ASN A 22 19.494 38.133 15.899 1.00 0.00 C ATOM 327 OD1 ASN A 22 19.543 39.301 15.537 1.00 0.00 O ATOM 328 ND2 ASN A 22 18.898 37.242 15.143 1.00 0.00 N ATOM 0 H ASN A 22 21.616 39.264 16.207 1.00 0.00 H new ATOM 0 HA ASN A 22 22.062 37.376 18.156 1.00 0.00 H new ATOM 0 HB2 ASN A 22 19.608 36.784 17.551 1.00 0.00 H new ATOM 0 HB3 ASN A 22 19.920 38.457 17.967 1.00 0.00 H new ATOM 0 HD21 ASN A 22 18.478 37.524 14.257 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.855 36.267 15.441 1.00 0.00 H new ATOM 335 N ASP A 23 22.238 35.867 15.295 1.00 0.00 N ATOM 336 CA ASP A 23 22.539 34.565 14.673 1.00 0.00 C ATOM 337 C ASP A 23 23.602 33.757 15.440 1.00 0.00 C ATOM 338 O ASP A 23 23.379 32.588 15.760 1.00 0.00 O ATOM 339 CB ASP A 23 23.004 34.798 13.228 1.00 0.00 C ATOM 340 CG ASP A 23 23.473 33.515 12.549 1.00 0.00 C ATOM 341 OD1 ASP A 23 24.682 33.427 12.225 1.00 0.00 O ATOM 342 OD2 ASP A 23 22.643 32.608 12.308 1.00 0.00 O1- ATOM 0 H ASP A 23 22.279 36.647 14.639 1.00 0.00 H new ATOM 0 HA ASP A 23 21.624 33.973 14.697 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.186 35.231 12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.816 35.525 13.224 1.00 0.00 H new ATOM 347 N TYR A 24 24.735 34.379 15.791 1.00 0.00 N ATOM 348 CA TYR A 24 25.782 33.699 16.554 1.00 0.00 C ATOM 349 C TYR A 24 25.318 33.334 17.975 1.00 0.00 C ATOM 350 O TYR A 24 25.570 32.218 18.431 1.00 0.00 O ATOM 351 CB TYR A 24 27.063 34.542 16.587 1.00 0.00 C ATOM 352 CG TYR A 24 28.219 33.803 17.235 1.00 0.00 C ATOM 353 CD1 TYR A 24 28.502 33.978 18.604 1.00 0.00 C ATOM 354 CD2 TYR A 24 28.983 32.898 16.474 1.00 0.00 C ATOM 355 CE1 TYR A 24 29.553 33.262 19.208 1.00 0.00 C ATOM 356 CE2 TYR A 24 30.026 32.170 17.077 1.00 0.00 C ATOM 357 CZ TYR A 24 30.315 32.351 18.445 1.00 0.00 C ATOM 358 OH TYR A 24 31.319 31.645 19.028 1.00 0.00 O ATOM 0 H TYR A 24 24.947 35.349 15.558 1.00 0.00 H new ATOM 0 HA TYR A 24 26.002 32.762 16.043 1.00 0.00 H new ATOM 0 HB2 TYR A 24 27.338 34.822 15.570 1.00 0.00 H new ATOM 0 HB3 TYR A 24 26.874 35.466 17.132 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.911 34.664 19.192 1.00 0.00 H new ATOM 0 HD2 TYR A 24 28.768 32.762 15.424 1.00 0.00 H new ATOM 0 HE1 TYR A 24 29.776 33.410 20.254 1.00 0.00 H new ATOM 0 HE2 TYR A 24 30.606 31.472 16.491 1.00 0.00 H new ATOM 0 HH TYR A 24 31.740 31.064 18.361 1.00 0.00 H new ATOM 368 N CYS A 25 24.584 34.226 18.652 1.00 0.00 N ATOM 369 CA CYS A 25 24.028 33.951 19.979 1.00 0.00 C ATOM 370 C CYS A 25 23.025 32.785 19.958 1.00 0.00 C ATOM 371 O CYS A 25 23.041 31.960 20.869 1.00 0.00 O ATOM 372 CB CYS A 25 23.344 35.199 20.547 1.00 0.00 C ATOM 373 SG CYS A 25 24.378 36.677 20.720 1.00 0.00 S ATOM 0 H CYS A 25 24.360 35.155 18.295 1.00 0.00 H new ATOM 0 HA CYS A 25 24.864 33.667 20.618 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.498 35.447 19.905 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.938 34.950 21.527 1.00 0.00 H new ATOM 378 N VAL A 26 22.189 32.676 18.918 1.00 0.00 N ATOM 379 CA VAL A 26 21.268 31.545 18.716 1.00 0.00 C ATOM 380 C VAL A 26 22.050 30.245 18.480 1.00 0.00 C ATOM 381 O VAL A 26 21.763 29.234 19.127 1.00 0.00 O ATOM 382 CB VAL A 26 20.292 31.835 17.555 1.00 0.00 C ATOM 383 CG1 VAL A 26 19.406 30.628 17.218 1.00 0.00 C ATOM 384 CG2 VAL A 26 19.354 33.003 17.891 1.00 0.00 C ATOM 0 H VAL A 26 22.131 33.379 18.182 1.00 0.00 H new ATOM 0 HA VAL A 26 20.675 31.416 19.622 1.00 0.00 H new ATOM 0 HB VAL A 26 20.924 32.078 16.701 1.00 0.00 H new ATOM 0 HG11 VAL A 26 18.739 30.885 16.395 1.00 0.00 H new ATOM 0 HG12 VAL A 26 20.034 29.786 16.926 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.816 30.355 18.092 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.680 33.181 17.053 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.772 32.758 18.779 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.943 33.900 18.080 1.00 0.00 H new ATOM 394 N ARG A 27 23.077 30.277 17.620 1.00 0.00 N ATOM 395 CA ARG A 27 23.962 29.139 17.314 1.00 0.00 C ATOM 396 C ARG A 27 24.793 28.660 18.511 1.00 0.00 C ATOM 397 O ARG A 27 25.104 27.473 18.600 1.00 0.00 O ATOM 398 CB ARG A 27 24.852 29.519 16.128 1.00 0.00 C ATOM 399 CG ARG A 27 24.057 29.511 14.814 1.00 0.00 C ATOM 400 CD ARG A 27 24.839 30.216 13.704 1.00 0.00 C ATOM 401 NE ARG A 27 24.090 30.207 12.439 1.00 0.00 N ATOM 402 CZ ARG A 27 23.970 29.214 11.578 1.00 0.00 C ATOM 403 NH1 ARG A 27 24.599 28.084 11.728 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 23.188 29.335 10.547 1.00 0.00 N ATOM 0 H ARG A 27 23.324 31.120 17.101 1.00 0.00 H new ATOM 0 HA ARG A 27 23.333 28.287 17.057 1.00 0.00 H new ATOM 0 HB2 ARG A 27 25.279 30.508 16.292 1.00 0.00 H new ATOM 0 HB3 ARG A 27 25.685 28.820 16.056 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.843 28.484 14.519 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.097 30.007 14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 27 25.048 31.244 13.999 1.00 0.00 H new ATOM 0 HD3 ARG A 27 25.801 29.723 13.564 1.00 0.00 H new ATOM 0 HE ARG A 27 23.605 31.071 12.198 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.210 27.943 12.533 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.481 27.339 11.041 1.00 0.00 H new ATOM 0 HH21 ARG A 27 22.665 30.199 10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.097 28.566 9.883 1.00 0.00 H new ATOM 418 N GLU A 28 25.139 29.537 19.449 1.00 0.00 N ATOM 419 CA GLU A 28 25.686 29.124 20.748 1.00 0.00 C ATOM 420 C GLU A 28 24.577 28.573 21.650 1.00 0.00 C ATOM 421 O GLU A 28 24.669 27.444 22.114 1.00 0.00 O ATOM 422 CB GLU A 28 26.398 30.279 21.471 1.00 0.00 C ATOM 423 CG GLU A 28 27.671 30.825 20.808 1.00 0.00 C ATOM 424 CD GLU A 28 28.762 29.757 20.655 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.815 29.104 19.585 1.00 0.00 O ATOM 426 OE2 GLU A 28 29.547 29.525 21.605 1.00 0.00 O1- ATOM 0 H GLU A 28 25.051 30.547 19.337 1.00 0.00 H new ATOM 0 HA GLU A 28 26.420 28.344 20.546 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.691 31.101 21.579 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.654 29.945 22.477 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.421 31.227 19.826 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.059 31.653 21.402 1.00 0.00 H new ATOM 433 N CYS A 29 23.510 29.340 21.880 1.00 0.00 N ATOM 434 CA CYS A 29 22.470 29.043 22.876 1.00 0.00 C ATOM 435 C CYS A 29 21.763 27.705 22.624 1.00 0.00 C ATOM 436 O CYS A 29 21.582 26.908 23.545 1.00 0.00 O ATOM 437 CB CYS A 29 21.459 30.212 22.943 1.00 0.00 C ATOM 438 SG CYS A 29 20.305 30.064 24.332 1.00 0.00 S ATOM 0 H CYS A 29 23.338 30.206 21.369 1.00 0.00 H new ATOM 0 HA CYS A 29 22.963 28.939 23.843 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.003 31.153 23.028 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.895 30.253 22.011 1.00 0.00 H new ATOM 443 N ARG A 30 21.444 27.402 21.358 1.00 0.00 N ATOM 444 CA ARG A 30 20.794 26.143 20.945 1.00 0.00 C ATOM 445 C ARG A 30 21.661 24.892 21.155 1.00 0.00 C ATOM 446 O ARG A 30 21.141 23.781 21.133 1.00 0.00 O ATOM 447 CB ARG A 30 20.243 26.301 19.509 1.00 0.00 C ATOM 448 CG ARG A 30 21.240 25.947 18.394 1.00 0.00 C ATOM 449 CD ARG A 30 20.703 26.297 17.000 1.00 0.00 C ATOM 450 NE ARG A 30 19.433 25.605 16.693 1.00 0.00 N ATOM 451 CZ ARG A 30 19.266 24.462 16.042 1.00 0.00 C ATOM 452 NH1 ARG A 30 20.255 23.763 15.569 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 18.074 23.972 15.864 1.00 0.00 N ATOM 0 H ARG A 30 21.632 28.032 20.578 1.00 0.00 H new ATOM 0 HA ARG A 30 19.951 25.960 21.611 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.361 25.670 19.402 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.916 27.332 19.371 1.00 0.00 H new ATOM 0 HG2 ARG A 30 22.176 26.479 18.564 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.466 24.882 18.437 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.552 27.374 16.932 1.00 0.00 H new ATOM 0 HD3 ARG A 30 21.448 26.032 16.250 1.00 0.00 H new ATOM 0 HE ARG A 30 18.582 26.062 17.022 1.00 0.00 H new ATOM 0 HH11 ARG A 30 21.214 24.088 15.692 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.072 22.889 15.075 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.259 24.468 16.226 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.954 23.092 15.362 1.00 0.00 H new ATOM 467 N LEU A 31 22.964 25.066 21.385 1.00 0.00 N ATOM 468 CA LEU A 31 23.901 23.981 21.702 1.00 0.00 C ATOM 469 C LEU A 31 24.352 23.999 23.175 1.00 0.00 C ATOM 470 O LEU A 31 24.478 22.939 23.790 1.00 0.00 O ATOM 471 CB LEU A 31 25.080 24.061 20.708 1.00 0.00 C ATOM 472 CG LEU A 31 24.677 23.820 19.234 1.00 0.00 C ATOM 473 CD1 LEU A 31 25.920 23.808 18.354 1.00 0.00 C ATOM 474 CD2 LEU A 31 23.953 22.491 18.998 1.00 0.00 C ATOM 0 H LEU A 31 23.409 25.984 21.356 1.00 0.00 H new ATOM 0 HA LEU A 31 23.400 23.020 21.586 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.546 25.043 20.791 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.833 23.326 20.993 1.00 0.00 H new ATOM 0 HG LEU A 31 23.995 24.633 18.984 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.630 23.638 17.317 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.432 24.767 18.435 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.588 23.011 18.679 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.703 22.395 17.941 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.601 21.666 19.294 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.039 22.465 19.591 1.00 0.00 H new ATOM 486 N ARG A 32 24.483 25.190 23.768 1.00 0.00 N ATOM 487 CA ARG A 32 24.734 25.445 25.189 1.00 0.00 C ATOM 488 C ARG A 32 23.595 25.006 26.107 1.00 0.00 C ATOM 489 O ARG A 32 23.840 24.816 27.299 1.00 0.00 O ATOM 490 CB ARG A 32 24.972 26.956 25.324 1.00 0.00 C ATOM 491 CG ARG A 32 26.387 27.355 24.943 1.00 0.00 C ATOM 492 CD ARG A 32 27.288 27.297 26.167 1.00 0.00 C ATOM 493 NE ARG A 32 28.639 27.576 25.715 1.00 0.00 N ATOM 494 CZ ARG A 32 29.768 27.158 26.243 1.00 0.00 C ATOM 495 NH1 ARG A 32 29.854 26.712 27.462 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 30.842 27.191 25.519 1.00 0.00 N ATOM 0 H ARG A 32 24.412 26.056 23.234 1.00 0.00 H new ATOM 0 HA ARG A 32 25.594 24.855 25.506 1.00 0.00 H new ATOM 0 HB2 ARG A 32 24.264 27.491 24.691 1.00 0.00 H new ATOM 0 HB3 ARG A 32 24.775 27.262 26.352 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.767 26.688 24.169 1.00 0.00 H new ATOM 0 HG3 ARG A 32 26.390 28.362 24.525 1.00 0.00 H new ATOM 0 HD2 ARG A 32 26.973 28.027 26.913 1.00 0.00 H new ATOM 0 HD3 ARG A 32 27.234 26.316 26.639 1.00 0.00 H new ATOM 0 HE ARG A 32 28.722 28.168 24.888 1.00 0.00 H new ATOM 0 HH11 ARG A 32 29.023 26.676 28.052 1.00 0.00 H new ATOM 0 HH12 ARG A 32 30.753 26.398 27.828 1.00 0.00 H new ATOM 0 HH21 ARG A 32 30.800 27.536 24.560 1.00 0.00 H new ATOM 0 HH22 ARG A 32 31.729 26.872 25.908 1.00 0.00 H new ATOM 510 N TYR A 33 22.390 24.857 25.562 1.00 0.00 N ATOM 511 CA TYR A 33 21.206 24.330 26.235 1.00 0.00 C ATOM 512 C TYR A 33 20.648 23.125 25.459 1.00 0.00 C ATOM 513 O TYR A 33 21.041 21.982 25.709 1.00 0.00 O ATOM 514 CB TYR A 33 20.168 25.451 26.446 1.00 0.00 C ATOM 515 CG TYR A 33 20.566 26.490 27.468 1.00 0.00 C ATOM 516 CD1 TYR A 33 20.000 26.437 28.752 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.494 27.496 27.147 1.00 0.00 C ATOM 518 CE1 TYR A 33 20.424 27.335 29.747 1.00 0.00 C ATOM 519 CE2 TYR A 33 21.928 28.394 28.141 1.00 0.00 C ATOM 520 CZ TYR A 33 21.413 28.297 29.452 1.00 0.00 C ATOM 521 OH TYR A 33 21.890 29.103 30.436 1.00 0.00 O ATOM 0 H TYR A 33 22.204 25.113 24.592 1.00 0.00 H new ATOM 0 HA TYR A 33 21.475 23.966 27.226 1.00 0.00 H new ATOM 0 HB2 TYR A 33 19.990 25.948 25.492 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.224 25.001 26.753 1.00 0.00 H new ATOM 0 HD1 TYR A 33 19.238 25.705 28.975 1.00 0.00 H new ATOM 0 HD2 TYR A 33 21.874 27.580 26.139 1.00 0.00 H new ATOM 0 HE1 TYR A 33 19.993 27.289 30.736 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.654 29.156 27.901 1.00 0.00 H new ATOM 0 HH TYR A 33 22.566 29.707 30.065 1.00 0.00 H new ATOM 531 N TYR A 34 19.758 23.401 24.508 1.00 0.00 N ATOM 532 CA TYR A 34 18.957 22.466 23.718 1.00 0.00 C ATOM 533 C TYR A 34 18.448 23.179 22.461 1.00 0.00 C ATOM 534 O TYR A 34 18.244 24.396 22.476 1.00 0.00 O ATOM 535 CB TYR A 34 17.788 21.888 24.543 1.00 0.00 C ATOM 536 CG TYR A 34 16.633 22.786 25.004 1.00 0.00 C ATOM 537 CD1 TYR A 34 15.367 22.200 25.205 1.00 0.00 C ATOM 538 CD2 TYR A 34 16.810 24.146 25.347 1.00 0.00 C ATOM 539 CE1 TYR A 34 14.302 22.956 25.730 1.00 0.00 C ATOM 540 CE2 TYR A 34 15.763 24.901 25.900 1.00 0.00 C ATOM 541 CZ TYR A 34 14.495 24.310 26.080 1.00 0.00 C ATOM 542 OH TYR A 34 13.453 25.036 26.572 1.00 0.00 O ATOM 0 H TYR A 34 19.561 24.367 24.248 1.00 0.00 H new ATOM 0 HA TYR A 34 19.583 21.623 23.424 1.00 0.00 H new ATOM 0 HB2 TYR A 34 17.351 21.080 23.957 1.00 0.00 H new ATOM 0 HB3 TYR A 34 18.219 21.436 25.437 1.00 0.00 H new ATOM 0 HD1 TYR A 34 15.213 21.161 24.954 1.00 0.00 H new ATOM 0 HD2 TYR A 34 17.769 24.613 25.180 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.333 22.498 25.866 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.928 25.929 26.186 1.00 0.00 H new ATOM 0 HH TYR A 34 13.606 25.988 26.397 1.00 0.00 H new ATOM 552 N GLN A 35 18.225 22.442 21.371 1.00 0.00 N ATOM 553 CA GLN A 35 17.974 23.037 20.052 1.00 0.00 C ATOM 554 C GLN A 35 16.704 23.896 19.960 1.00 0.00 C ATOM 555 O GLN A 35 16.634 24.786 19.113 1.00 0.00 O ATOM 556 CB GLN A 35 18.036 21.955 18.970 1.00 0.00 C ATOM 557 CG GLN A 35 16.939 20.880 19.030 1.00 0.00 C ATOM 558 CD GLN A 35 17.068 19.864 17.893 1.00 0.00 C ATOM 559 OE1 GLN A 35 17.617 20.128 16.833 1.00 0.00 O ATOM 560 NE2 GLN A 35 16.551 18.670 18.054 1.00 0.00 N ATOM 0 H GLN A 35 18.213 21.422 21.374 1.00 0.00 H new ATOM 0 HA GLN A 35 18.775 23.756 19.881 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.989 22.440 17.995 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.005 21.461 19.033 1.00 0.00 H new ATOM 0 HG2 GLN A 35 16.992 20.361 19.987 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.960 21.358 18.980 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.088 18.428 18.930 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.611 17.983 17.303 1.00 0.00 H new ATOM 569 N SER A 36 15.735 23.710 20.863 1.00 0.00 N ATOM 570 CA SER A 36 14.535 24.556 20.983 1.00 0.00 C ATOM 571 C SER A 36 14.779 25.947 21.603 1.00 0.00 C ATOM 572 O SER A 36 13.840 26.750 21.642 1.00 0.00 O ATOM 573 CB SER A 36 13.460 23.808 21.778 1.00 0.00 C ATOM 574 OG SER A 36 13.158 22.569 21.159 1.00 0.00 O ATOM 0 H SER A 36 15.760 22.953 21.546 1.00 0.00 H new ATOM 0 HA SER A 36 14.205 24.751 19.963 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.806 23.637 22.797 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.559 24.417 21.845 1.00 0.00 H new ATOM 0 HG SER A 36 12.471 22.102 21.679 1.00 0.00 H new ATOM 580 N ALA A 37 15.992 26.263 22.078 1.00 0.00 N ATOM 581 CA ALA A 37 16.344 27.598 22.598 1.00 0.00 C ATOM 582 C ALA A 37 16.537 28.664 21.495 1.00 0.00 C ATOM 583 O ALA A 37 16.716 28.338 20.317 1.00 0.00 O ATOM 584 CB ALA A 37 17.597 27.478 23.476 1.00 0.00 C ATOM 0 H ALA A 37 16.764 25.597 22.114 1.00 0.00 H new ATOM 0 HA ALA A 37 15.500 27.951 23.191 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.864 28.461 23.865 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.396 26.802 24.307 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.422 27.086 22.881 1.00 0.00 H new ATOM 590 N HIS A 38 16.535 29.945 21.880 1.00 0.00 N ATOM 591 CA HIS A 38 16.770 31.105 20.994 1.00 0.00 C ATOM 592 C HIS A 38 17.477 32.249 21.765 1.00 0.00 C ATOM 593 O HIS A 38 17.902 32.028 22.899 1.00 0.00 O ATOM 594 CB HIS A 38 15.428 31.505 20.346 1.00 0.00 C ATOM 595 CG HIS A 38 15.574 32.202 19.022 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.798 33.562 18.853 1.00 0.00 N ATOM 597 CD2 HIS A 38 15.561 31.606 17.794 1.00 0.00 C ATOM 598 CE1 HIS A 38 15.934 33.767 17.533 1.00 0.00 C ATOM 599 NE2 HIS A 38 15.786 32.608 16.869 1.00 0.00 N ATOM 0 H HIS A 38 16.365 30.219 22.848 1.00 0.00 H new ATOM 0 HA HIS A 38 17.455 30.851 20.185 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.821 30.610 20.209 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.885 32.157 21.031 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.405 30.558 17.586 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.133 34.723 17.072 1.00 0.00 H new ATOM 0 HE2 HIS A 38 15.832 32.488 15.857 1.00 0.00 H new ATOM 607 N GLY A 39 17.683 33.439 21.187 1.00 0.00 N ATOM 608 CA GLY A 39 18.384 34.537 21.875 1.00 0.00 C ATOM 609 C GLY A 39 18.710 35.779 21.030 1.00 0.00 C ATOM 610 O GLY A 39 18.450 35.812 19.825 1.00 0.00 O ATOM 0 H GLY A 39 17.374 33.669 20.242 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.776 34.852 22.723 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.317 34.145 22.280 1.00 0.00 H new ATOM 614 N TYR A 40 19.278 36.808 21.671 1.00 0.00 N ATOM 615 CA TYR A 40 19.658 38.098 21.067 1.00 0.00 C ATOM 616 C TYR A 40 20.805 38.808 21.818 1.00 0.00 C ATOM 617 O TYR A 40 21.232 38.371 22.885 1.00 0.00 O ATOM 618 CB TYR A 40 18.419 39.004 20.949 1.00 0.00 C ATOM 619 CG TYR A 40 17.786 39.461 22.251 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.160 40.693 22.823 1.00 0.00 C ATOM 621 CD2 TYR A 40 16.785 38.681 22.861 1.00 0.00 C ATOM 622 CE1 TYR A 40 17.551 41.133 24.012 1.00 0.00 C ATOM 623 CE2 TYR A 40 16.172 39.121 24.048 1.00 0.00 C ATOM 624 CZ TYR A 40 16.563 40.345 24.636 1.00 0.00 C ATOM 625 OH TYR A 40 15.957 40.789 25.770 1.00 0.00 O ATOM 0 H TYR A 40 19.496 36.766 22.667 1.00 0.00 H new ATOM 0 HA TYR A 40 20.047 37.887 20.071 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.697 39.889 20.376 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.663 38.474 20.370 1.00 0.00 H new ATOM 0 HD1 TYR A 40 18.916 41.301 22.348 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.487 37.743 22.417 1.00 0.00 H new ATOM 0 HE1 TYR A 40 17.841 42.077 24.448 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.401 38.522 24.511 1.00 0.00 H new ATOM 0 HH TYR A 40 15.300 40.127 26.071 1.00 0.00 H new ATOM 635 N CYS A 41 21.329 39.900 21.252 1.00 0.00 N ATOM 636 CA CYS A 41 22.445 40.687 21.803 1.00 0.00 C ATOM 637 C CYS A 41 21.994 41.782 22.799 1.00 0.00 C ATOM 638 O CYS A 41 22.066 42.973 22.481 1.00 0.00 O ATOM 639 CB CYS A 41 23.229 41.292 20.629 1.00 0.00 C ATOM 640 SG CYS A 41 24.107 40.099 19.593 1.00 0.00 S ATOM 0 H CYS A 41 20.980 40.275 20.370 1.00 0.00 H new ATOM 0 HA CYS A 41 23.080 40.019 22.386 1.00 0.00 H new ATOM 0 HB2 CYS A 41 22.537 41.853 20.002 1.00 0.00 H new ATOM 0 HB3 CYS A 41 23.951 42.006 21.025 1.00 0.00 H new ATOM 645 N TYR A 42 21.506 41.418 23.989 1.00 0.00 N ATOM 646 CA TYR A 42 21.112 42.384 25.033 1.00 0.00 C ATOM 647 C TYR A 42 22.304 43.256 25.473 1.00 0.00 C ATOM 648 O TYR A 42 23.254 42.752 26.078 1.00 0.00 O ATOM 649 CB TYR A 42 20.506 41.642 26.239 1.00 0.00 C ATOM 650 CG TYR A 42 20.118 42.562 27.385 1.00 0.00 C ATOM 651 CD1 TYR A 42 20.974 42.708 28.495 1.00 0.00 C ATOM 652 CD2 TYR A 42 18.929 43.314 27.322 1.00 0.00 C ATOM 653 CE1 TYR A 42 20.670 43.642 29.506 1.00 0.00 C ATOM 654 CE2 TYR A 42 18.625 44.254 28.328 1.00 0.00 C ATOM 655 CZ TYR A 42 19.511 44.440 29.410 1.00 0.00 C ATOM 656 OH TYR A 42 19.292 45.419 30.328 1.00 0.00 O ATOM 0 H TYR A 42 21.371 40.444 24.261 1.00 0.00 H new ATOM 0 HA TYR A 42 20.358 43.049 24.612 1.00 0.00 H new ATOM 0 HB2 TYR A 42 19.624 41.092 25.911 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.224 40.907 26.601 1.00 0.00 H new ATOM 0 HD1 TYR A 42 21.865 42.103 28.571 1.00 0.00 H new ATOM 0 HD2 TYR A 42 18.246 43.170 26.498 1.00 0.00 H new ATOM 0 HE1 TYR A 42 21.327 43.747 30.357 1.00 0.00 H new ATOM 0 HE2 TYR A 42 17.714 44.831 28.270 1.00 0.00 H new ATOM 0 HH TYR A 42 18.451 45.879 30.122 1.00 0.00 H new ATOM 666 N ALA A 43 22.275 44.556 25.154 1.00 0.00 N ATOM 667 CA ALA A 43 23.317 45.539 25.489 1.00 0.00 C ATOM 668 C ALA A 43 24.747 45.025 25.195 1.00 0.00 C ATOM 669 O ALA A 43 25.595 44.905 26.087 1.00 0.00 O ATOM 670 CB ALA A 43 23.085 46.052 26.918 1.00 0.00 C ATOM 0 H ALA A 43 21.498 44.968 24.637 1.00 0.00 H new ATOM 0 HA ALA A 43 23.234 46.400 24.826 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.854 46.781 27.172 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.104 46.523 26.981 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.132 45.217 27.617 1.00 0.00 H new ATOM 676 N PHE A 44 24.974 44.659 23.929 1.00 0.00 N ATOM 677 CA PHE A 44 26.229 44.127 23.373 1.00 0.00 C ATOM 678 C PHE A 44 26.696 42.759 23.918 1.00 0.00 C ATOM 679 O PHE A 44 27.837 42.380 23.664 1.00 0.00 O ATOM 680 CB PHE A 44 27.339 45.198 23.383 1.00 0.00 C ATOM 681 CG PHE A 44 26.961 46.501 22.706 1.00 0.00 C ATOM 682 CD1 PHE A 44 26.585 47.621 23.472 1.00 0.00 C ATOM 683 CD2 PHE A 44 26.973 46.589 21.300 1.00 0.00 C ATOM 684 CE1 PHE A 44 26.219 48.820 22.835 1.00 0.00 C ATOM 685 CE2 PHE A 44 26.600 47.786 20.666 1.00 0.00 C ATOM 686 CZ PHE A 44 26.221 48.902 21.433 1.00 0.00 C ATOM 0 H PHE A 44 24.244 44.729 23.220 1.00 0.00 H new ATOM 0 HA PHE A 44 25.991 43.888 22.337 1.00 0.00 H new ATOM 0 HB2 PHE A 44 27.616 45.407 24.416 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.223 44.791 22.892 1.00 0.00 H new ATOM 0 HD1 PHE A 44 26.578 47.559 24.550 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.269 45.735 20.709 1.00 0.00 H new ATOM 0 HE1 PHE A 44 25.936 49.679 23.425 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.604 47.849 19.588 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.932 49.821 20.945 1.00 0.00 H new ATOM 696 N ALA A 45 25.835 41.986 24.590 1.00 0.00 N ATOM 697 CA ALA A 45 26.146 40.639 25.085 1.00 0.00 C ATOM 698 C ALA A 45 25.058 39.615 24.718 1.00 0.00 C ATOM 699 O ALA A 45 23.874 39.950 24.705 1.00 0.00 O ATOM 700 CB ALA A 45 26.340 40.714 26.601 1.00 0.00 C ATOM 0 H ALA A 45 24.885 42.284 24.809 1.00 0.00 H new ATOM 0 HA ALA A 45 27.061 40.292 24.606 1.00 0.00 H new ATOM 0 HB1 ALA A 45 26.572 39.722 26.988 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.161 41.394 26.830 1.00 0.00 H new ATOM 0 HB3 ALA A 45 25.425 41.080 27.067 1.00 0.00 H new ATOM 706 N CYS A 46 25.427 38.359 24.448 1.00 0.00 N ATOM 707 CA CYS A 46 24.447 37.311 24.154 1.00 0.00 C ATOM 708 C CYS A 46 23.558 36.979 25.369 1.00 0.00 C ATOM 709 O CYS A 46 24.041 36.698 26.473 1.00 0.00 O ATOM 710 CB CYS A 46 25.127 36.043 23.630 1.00 0.00 C ATOM 711 SG CYS A 46 25.893 36.154 21.988 1.00 0.00 S ATOM 0 H CYS A 46 26.397 38.044 24.427 1.00 0.00 H new ATOM 0 HA CYS A 46 23.799 37.707 23.373 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.895 35.747 24.345 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.387 35.243 23.608 1.00 0.00 H new ATOM 716 N TRP A 47 22.251 36.934 25.118 1.00 0.00 N ATOM 717 CA TRP A 47 21.169 36.673 26.064 1.00 0.00 C ATOM 718 C TRP A 47 20.214 35.637 25.462 1.00 0.00 C ATOM 719 O TRP A 47 19.726 35.806 24.345 1.00 0.00 O ATOM 720 CB TRP A 47 20.478 38.011 26.344 1.00 0.00 C ATOM 721 CG TRP A 47 19.244 37.983 27.185 1.00 0.00 C ATOM 722 CD1 TRP A 47 17.986 37.839 26.716 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.111 38.115 28.634 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.083 37.924 27.755 1.00 0.00 N ATOM 725 CE2 TRP A 47 17.725 38.066 28.966 1.00 0.00 C ATOM 726 CE3 TRP A 47 20.017 38.313 29.696 1.00 0.00 C ATOM 727 CZ2 TRP A 47 17.269 38.188 30.288 1.00 0.00 C ATOM 728 CZ3 TRP A 47 19.571 38.429 31.027 1.00 0.00 C ATOM 729 CH2 TRP A 47 18.200 38.358 31.325 1.00 0.00 C ATOM 0 H TRP A 47 21.894 37.091 24.175 1.00 0.00 H new ATOM 0 HA TRP A 47 21.535 36.261 27.004 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.200 38.669 26.827 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.223 38.466 25.387 1.00 0.00 H new ATOM 0 HD1 TRP A 47 17.725 37.681 25.680 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.070 37.887 27.642 1.00 0.00 H new ATOM 0 HE3 TRP A 47 21.074 38.377 29.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 16.212 38.151 30.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.287 38.573 31.823 1.00 0.00 H new ATOM 0 HH2 TRP A 47 17.863 38.434 32.348 1.00 0.00 H new ATOM 740 N CYS A 48 19.982 34.540 26.175 1.00 0.00 N ATOM 741 CA CYS A 48 19.125 33.439 25.746 1.00 0.00 C ATOM 742 C CYS A 48 17.644 33.687 26.088 1.00 0.00 C ATOM 743 O CYS A 48 17.301 34.258 27.128 1.00 0.00 O ATOM 744 CB CYS A 48 19.583 32.150 26.435 1.00 0.00 C ATOM 745 SG CYS A 48 21.044 31.285 25.795 1.00 0.00 S ATOM 0 H CYS A 48 20.397 34.387 27.094 1.00 0.00 H new ATOM 0 HA CYS A 48 19.210 33.356 24.662 1.00 0.00 H new ATOM 0 HB2 CYS A 48 19.772 32.385 27.482 1.00 0.00 H new ATOM 0 HB3 CYS A 48 18.748 31.449 26.411 1.00 0.00 H new ATOM 750 N THR A 49 16.762 33.138 25.259 1.00 0.00 N ATOM 751 CA THR A 49 15.313 33.036 25.481 1.00 0.00 C ATOM 752 C THR A 49 14.854 31.590 25.267 1.00 0.00 C ATOM 753 O THR A 49 15.599 30.762 24.732 1.00 0.00 O ATOM 754 CB THR A 49 14.512 34.029 24.609 1.00 0.00 C ATOM 755 OG1 THR A 49 14.474 33.663 23.246 1.00 0.00 O ATOM 756 CG2 THR A 49 15.074 35.452 24.655 1.00 0.00 C ATOM 0 H THR A 49 17.046 32.730 24.368 1.00 0.00 H new ATOM 0 HA THR A 49 15.110 33.316 26.515 1.00 0.00 H new ATOM 0 HB THR A 49 13.512 33.997 25.041 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.734 33.039 23.095 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.469 36.103 24.023 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.051 35.819 25.681 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.102 35.449 24.294 1.00 0.00 H new ATOM 764 N HIS A 50 13.625 31.267 25.684 1.00 0.00 N ATOM 765 CA HIS A 50 13.035 29.921 25.567 1.00 0.00 C ATOM 766 C HIS A 50 13.760 28.848 26.414 1.00 0.00 C ATOM 767 O HIS A 50 13.699 27.652 26.115 1.00 0.00 O ATOM 768 CB HIS A 50 12.864 29.529 24.082 1.00 0.00 C ATOM 769 CG HIS A 50 12.014 30.457 23.243 1.00 0.00 C ATOM 770 ND1 HIS A 50 12.288 31.793 22.919 1.00 0.00 N ATOM 771 CD2 HIS A 50 10.851 30.100 22.632 1.00 0.00 C ATOM 772 CE1 HIS A 50 11.288 32.198 22.115 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.400 31.204 21.945 1.00 0.00 N ATOM 0 H HIS A 50 12.998 31.943 26.121 1.00 0.00 H new ATOM 0 HA HIS A 50 12.038 29.966 26.006 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.853 29.465 23.628 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.428 28.531 24.039 1.00 0.00 H new ATOM 0 HD2 HIS A 50 10.373 29.133 22.678 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.210 33.179 21.671 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.539 31.258 21.400 1.00 0.00 H new ATOM 781 N LEU A 51 14.425 29.260 27.499 1.00 0.00 N ATOM 782 CA LEU A 51 15.047 28.370 28.488 1.00 0.00 C ATOM 783 C LEU A 51 14.024 27.784 29.471 1.00 0.00 C ATOM 784 O LEU A 51 12.958 28.366 29.684 1.00 0.00 O ATOM 785 CB LEU A 51 16.138 29.121 29.271 1.00 0.00 C ATOM 786 CG LEU A 51 17.215 29.832 28.435 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.285 30.350 29.399 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.841 28.884 27.413 1.00 0.00 C ATOM 0 H LEU A 51 14.549 30.248 27.720 1.00 0.00 H new ATOM 0 HA LEU A 51 15.490 27.542 27.935 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.653 29.863 29.905 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.633 28.411 29.933 1.00 0.00 H new ATOM 0 HG LEU A 51 16.764 30.653 27.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 19.066 30.861 28.836 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.832 31.046 30.105 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.720 29.512 29.944 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.598 29.417 26.838 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.304 28.044 27.931 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.068 28.514 26.739 1.00 0.00 H new ATOM 800 N TYR A 52 14.394 26.666 30.102 1.00 0.00 N ATOM 801 CA TYR A 52 13.610 25.967 31.125 1.00 0.00 C ATOM 802 C TYR A 52 13.321 26.839 32.365 1.00 0.00 C ATOM 803 O TYR A 52 14.098 27.727 32.715 1.00 0.00 O ATOM 804 CB TYR A 52 14.315 24.656 31.549 1.00 0.00 C ATOM 805 CG TYR A 52 15.563 24.226 30.786 1.00 0.00 C ATOM 806 CD1 TYR A 52 15.453 23.637 29.511 1.00 0.00 C ATOM 807 CD2 TYR A 52 16.836 24.372 31.376 1.00 0.00 C ATOM 808 CE1 TYR A 52 16.606 23.191 28.834 1.00 0.00 C ATOM 809 CE2 TYR A 52 17.991 23.925 30.702 1.00 0.00 C ATOM 810 CZ TYR A 52 17.878 23.329 29.429 1.00 0.00 C ATOM 811 OH TYR A 52 18.986 22.893 28.769 1.00 0.00 O ATOM 0 H TYR A 52 15.283 26.205 29.907 1.00 0.00 H new ATOM 0 HA TYR A 52 12.648 25.734 30.670 1.00 0.00 H new ATOM 0 HB2 TYR A 52 14.584 24.749 32.601 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.586 23.848 31.476 1.00 0.00 H new ATOM 0 HD1 TYR A 52 14.482 23.527 29.051 1.00 0.00 H new ATOM 0 HD2 TYR A 52 16.927 24.829 32.350 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.516 22.742 27.856 1.00 0.00 H new ATOM 0 HE2 TYR A 52 18.962 24.039 31.161 1.00 0.00 H new ATOM 0 HH TYR A 52 19.781 23.063 29.316 1.00 0.00 H new ATOM 821 N GLU A 53 12.250 26.540 33.103 1.00 0.00 N ATOM 822 CA GLU A 53 11.908 27.247 34.349 1.00 0.00 C ATOM 823 C GLU A 53 12.981 27.097 35.446 1.00 0.00 C ATOM 824 O GLU A 53 13.234 28.039 36.199 1.00 0.00 O ATOM 825 CB GLU A 53 10.478 26.873 34.799 1.00 0.00 C ATOM 826 CG GLU A 53 10.324 25.960 36.032 1.00 0.00 C ATOM 827 CD GLU A 53 10.478 26.697 37.372 1.00 0.00 C ATOM 828 OE1 GLU A 53 9.859 27.774 37.566 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.204 26.199 38.266 1.00 0.00 O1- ATOM 0 H GLU A 53 11.592 25.801 32.857 1.00 0.00 H new ATOM 0 HA GLU A 53 11.905 28.318 34.144 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.938 27.798 34.999 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.980 26.388 33.960 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.344 25.484 36.000 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.067 25.164 35.978 1.00 0.00 H new ATOM 836 N GLN A 54 13.658 25.945 35.508 1.00 0.00 N ATOM 837 CA GLN A 54 14.791 25.657 36.401 1.00 0.00 C ATOM 838 C GLN A 54 16.158 26.172 35.888 1.00 0.00 C ATOM 839 O GLN A 54 17.193 25.747 36.416 1.00 0.00 O ATOM 840 CB GLN A 54 14.830 24.134 36.682 1.00 0.00 C ATOM 841 CG GLN A 54 13.659 23.603 37.531 1.00 0.00 C ATOM 842 CD GLN A 54 13.864 23.803 39.036 1.00 0.00 C ATOM 843 OE1 GLN A 54 14.602 23.077 39.699 1.00 0.00 O ATOM 844 NE2 GLN A 54 13.196 24.760 39.642 1.00 0.00 N ATOM 0 H GLN A 54 13.422 25.152 34.912 1.00 0.00 H new ATOM 0 HA GLN A 54 14.623 26.212 37.324 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.840 23.603 35.730 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.765 23.896 37.189 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.741 24.105 37.226 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.524 22.541 37.327 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.580 25.370 39.105 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.294 24.892 40.649 1.00 0.00 H new ATOM 853 N ALA A 55 16.220 27.019 34.850 1.00 0.00 N ATOM 854 CA ALA A 55 17.484 27.465 34.250 1.00 0.00 C ATOM 855 C ALA A 55 18.428 28.171 35.247 1.00 0.00 C ATOM 856 O ALA A 55 18.032 29.107 35.947 1.00 0.00 O ATOM 857 CB ALA A 55 17.190 28.345 33.029 1.00 0.00 C ATOM 0 H ALA A 55 15.393 27.414 34.403 1.00 0.00 H new ATOM 0 HA ALA A 55 18.025 26.573 33.933 1.00 0.00 H new ATOM 0 HB1 ALA A 55 18.129 28.676 32.584 1.00 0.00 H new ATOM 0 HB2 ALA A 55 16.623 27.772 32.295 1.00 0.00 H new ATOM 0 HB3 ALA A 55 16.609 29.214 33.338 1.00 0.00 H new ATOM 863 N VAL A 56 19.691 27.733 35.291 1.00 0.00 N ATOM 864 CA VAL A 56 20.727 28.220 36.217 1.00 0.00 C ATOM 865 C VAL A 56 21.546 29.354 35.592 1.00 0.00 C ATOM 866 O VAL A 56 22.295 29.127 34.637 1.00 0.00 O ATOM 867 CB VAL A 56 21.623 27.042 36.667 1.00 0.00 C ATOM 868 CG1 VAL A 56 22.792 27.475 37.564 1.00 0.00 C ATOM 869 CG2 VAL A 56 20.789 26.015 37.451 1.00 0.00 C ATOM 0 H VAL A 56 20.034 27.006 34.664 1.00 0.00 H new ATOM 0 HA VAL A 56 20.242 28.637 37.100 1.00 0.00 H new ATOM 0 HB VAL A 56 22.033 26.614 35.752 1.00 0.00 H new ATOM 0 HG11 VAL A 56 23.380 26.600 37.843 1.00 0.00 H new ATOM 0 HG12 VAL A 56 23.424 28.179 37.023 1.00 0.00 H new ATOM 0 HG13 VAL A 56 22.403 27.953 38.463 1.00 0.00 H new ATOM 0 HG21 VAL A 56 21.428 25.189 37.764 1.00 0.00 H new ATOM 0 HG22 VAL A 56 20.357 26.492 38.330 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.990 25.634 36.815 1.00 0.00 H new ATOM 879 N VAL A 57 21.428 30.568 36.145 1.00 0.00 N ATOM 880 CA VAL A 57 22.116 31.785 35.660 1.00 0.00 C ATOM 881 C VAL A 57 23.270 32.254 36.558 1.00 0.00 C ATOM 882 O VAL A 57 24.092 33.067 36.133 1.00 0.00 O ATOM 883 CB VAL A 57 21.111 32.939 35.444 1.00 0.00 C ATOM 884 CG1 VAL A 57 20.089 32.581 34.358 1.00 0.00 C ATOM 885 CG2 VAL A 57 20.361 33.334 36.725 1.00 0.00 C ATOM 0 H VAL A 57 20.840 30.742 36.960 1.00 0.00 H new ATOM 0 HA VAL A 57 22.564 31.502 34.708 1.00 0.00 H new ATOM 0 HB VAL A 57 21.708 33.795 35.130 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.393 33.410 34.226 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.608 32.389 33.419 1.00 0.00 H new ATOM 0 HG13 VAL A 57 19.538 31.689 34.657 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.671 34.149 36.506 1.00 0.00 H new ATOM 0 HG22 VAL A 57 19.802 32.476 37.099 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.077 33.658 37.481 1.00 0.00 H new ATOM 895 N TRP A 58 23.345 31.775 37.802 1.00 0.00 N ATOM 896 CA TRP A 58 24.305 32.250 38.804 1.00 0.00 C ATOM 897 C TRP A 58 25.736 31.743 38.516 1.00 0.00 C ATOM 898 O TRP A 58 25.913 30.554 38.222 1.00 0.00 O ATOM 899 CB TRP A 58 23.814 31.896 40.211 1.00 0.00 C ATOM 900 CG TRP A 58 22.402 32.330 40.454 1.00 0.00 C ATOM 901 CD1 TRP A 58 22.008 33.557 40.862 1.00 0.00 C ATOM 902 CD2 TRP A 58 21.173 31.594 40.173 1.00 0.00 C ATOM 903 NE1 TRP A 58 20.630 33.642 40.830 1.00 0.00 N ATOM 904 CE2 TRP A 58 20.069 32.481 40.342 1.00 0.00 C ATOM 905 CE3 TRP A 58 20.884 30.264 39.796 1.00 0.00 C ATOM 906 CZ2 TRP A 58 18.756 32.086 40.056 1.00 0.00 C ATOM 907 CZ3 TRP A 58 19.562 29.850 39.548 1.00 0.00 C ATOM 908 CH2 TRP A 58 18.502 30.767 39.653 1.00 0.00 C ATOM 0 H TRP A 58 22.733 31.036 38.147 1.00 0.00 H new ATOM 0 HA TRP A 58 24.365 33.337 38.744 1.00 0.00 H new ATOM 0 HB2 TRP A 58 23.889 30.819 40.358 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.466 32.365 40.948 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.672 34.352 41.167 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.096 34.458 41.129 1.00 0.00 H new ATOM 0 HE3 TRP A 58 21.691 29.553 39.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 17.944 32.793 40.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 19.361 28.824 39.276 1.00 0.00 H new ATOM 0 HH2 TRP A 58 17.493 30.456 39.424 1.00 0.00 H new ATOM 919 N PRO A 59 26.761 32.617 38.563 1.00 0.00 N ATOM 920 CA PRO A 59 28.107 32.305 38.069 1.00 0.00 C ATOM 921 C PRO A 59 28.939 31.371 38.967 1.00 0.00 C ATOM 922 O PRO A 59 29.000 31.544 40.187 1.00 0.00 O ATOM 923 CB PRO A 59 28.797 33.665 37.937 1.00 0.00 C ATOM 924 CG PRO A 59 28.121 34.547 38.987 1.00 0.00 C ATOM 925 CD PRO A 59 26.684 34.021 38.961 1.00 0.00 C ATOM 0 HA PRO A 59 28.024 31.750 37.134 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.869 33.584 38.118 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.673 34.076 36.935 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.579 34.436 39.970 1.00 0.00 H new ATOM 0 HG3 PRO A 59 28.174 35.604 38.728 1.00 0.00 H new ATOM 0 HD2 PRO A 59 26.217 34.121 39.941 1.00 0.00 H new ATOM 0 HD3 PRO A 59 26.076 34.590 38.258 1.00 0.00 H new ATOM 933 N LEU A 60 29.635 30.430 38.329 1.00 0.00 N ATOM 934 CA LEU A 60 30.639 29.535 38.929 1.00 0.00 C ATOM 935 C LEU A 60 32.017 30.232 39.074 1.00 0.00 C ATOM 936 O LEU A 60 32.291 31.209 38.379 1.00 0.00 O ATOM 937 CB LEU A 60 30.750 28.281 38.027 1.00 0.00 C ATOM 938 CG LEU A 60 29.773 27.136 38.378 1.00 0.00 C ATOM 939 CD1 LEU A 60 28.297 27.537 38.308 1.00 0.00 C ATOM 940 CD2 LEU A 60 29.985 25.977 37.402 1.00 0.00 C ATOM 0 H LEU A 60 29.512 30.258 37.331 1.00 0.00 H new ATOM 0 HA LEU A 60 30.326 29.257 39.936 1.00 0.00 H new ATOM 0 HB2 LEU A 60 30.580 28.580 36.993 1.00 0.00 H new ATOM 0 HB3 LEU A 60 31.769 27.899 38.085 1.00 0.00 H new ATOM 0 HG LEU A 60 29.992 26.858 39.409 1.00 0.00 H new ATOM 0 HD11 LEU A 60 27.675 26.681 38.567 1.00 0.00 H new ATOM 0 HD12 LEU A 60 28.107 28.349 39.009 1.00 0.00 H new ATOM 0 HD13 LEU A 60 28.057 27.867 37.297 1.00 0.00 H new ATOM 0 HD21 LEU A 60 29.298 25.166 37.645 1.00 0.00 H new ATOM 0 HD22 LEU A 60 29.797 26.319 36.384 1.00 0.00 H new ATOM 0 HD23 LEU A 60 31.011 25.619 37.480 1.00 0.00 H new ATOM 952 N PRO A 61 32.940 29.693 39.892 1.00 0.00 N ATOM 953 CA PRO A 61 34.331 30.160 39.925 1.00 0.00 C ATOM 954 C PRO A 61 35.117 29.826 38.633 1.00 0.00 C ATOM 955 O PRO A 61 36.087 30.513 38.305 1.00 0.00 O ATOM 956 CB PRO A 61 34.950 29.494 41.156 1.00 0.00 C ATOM 957 CG PRO A 61 34.133 28.218 41.324 1.00 0.00 C ATOM 958 CD PRO A 61 32.739 28.628 40.872 1.00 0.00 C ATOM 0 HA PRO A 61 34.371 31.248 39.984 1.00 0.00 H new ATOM 0 HB2 PRO A 61 36.007 29.276 41.004 1.00 0.00 H new ATOM 0 HB3 PRO A 61 34.879 30.134 42.036 1.00 0.00 H new ATOM 0 HG2 PRO A 61 34.529 27.405 40.716 1.00 0.00 H new ATOM 0 HG3 PRO A 61 34.135 27.873 42.358 1.00 0.00 H new ATOM 0 HD2 PRO A 61 32.206 27.785 40.431 1.00 0.00 H new ATOM 0 HD3 PRO A 61 32.141 28.978 41.714 1.00 0.00 H new ATOM 966 N ASN A 62 34.714 28.783 37.903 1.00 0.00 N ATOM 967 CA ASN A 62 35.443 28.267 36.742 1.00 0.00 C ATOM 968 C ASN A 62 35.421 29.183 35.498 1.00 0.00 C ATOM 969 O ASN A 62 36.398 29.171 34.748 1.00 0.00 O ATOM 970 CB ASN A 62 34.948 26.853 36.417 1.00 0.00 C ATOM 971 CG ASN A 62 35.575 25.822 37.344 1.00 0.00 C ATOM 972 OD1 ASN A 62 35.546 25.966 38.560 1.00 0.00 O ATOM 973 ND2 ASN A 62 36.211 24.800 36.828 1.00 0.00 N ATOM 0 H ASN A 62 33.859 28.265 38.105 1.00 0.00 H new ATOM 0 HA ASN A 62 36.495 28.238 37.025 1.00 0.00 H new ATOM 0 HB2 ASN A 62 33.863 26.815 36.509 1.00 0.00 H new ATOM 0 HB3 ASN A 62 35.189 26.610 35.382 1.00 0.00 H new ATOM 0 HD21 ASN A 62 36.679 24.129 37.438 1.00 0.00 H new ATOM 0 HD22 ASN A 62 36.239 24.675 35.816 1.00 0.00 H new ATOM 980 N LYS A 63 34.393 30.022 35.328 1.00 0.00 N ATOM 981 CA LYS A 63 34.286 31.005 34.218 1.00 0.00 C ATOM 982 C LYS A 63 35.339 32.143 34.199 1.00 0.00 C ATOM 983 O LYS A 63 35.219 33.054 33.382 1.00 0.00 O ATOM 984 CB LYS A 63 32.830 31.477 33.991 1.00 0.00 C ATOM 985 CG LYS A 63 32.083 32.147 35.149 1.00 0.00 C ATOM 986 CD LYS A 63 32.717 33.404 35.760 1.00 0.00 C ATOM 987 CE LYS A 63 32.841 34.601 34.807 1.00 0.00 C ATOM 988 NZ LYS A 63 33.261 35.819 35.542 1.00 0.00 N1+ ATOM 0 H LYS A 63 33.594 30.046 35.962 1.00 0.00 H new ATOM 0 HA LYS A 63 34.572 30.436 33.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.836 32.175 33.154 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.247 30.611 33.679 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.084 32.408 34.800 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.961 31.410 35.943 1.00 0.00 H new ATOM 0 HD2 LYS A 63 32.125 33.707 36.624 1.00 0.00 H new ATOM 0 HD3 LYS A 63 33.711 33.148 36.128 1.00 0.00 H new ATOM 0 HE2 LYS A 63 33.566 34.375 34.025 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.885 34.780 34.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 33.338 36.616 34.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 32.556 36.044 36.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 34.184 35.652 35.992 1.00 0.00 H new ATOM 1002 N ARG A 64 36.357 32.099 35.069 1.00 0.00 N ATOM 1003 CA ARG A 64 37.554 32.961 35.047 1.00 0.00 C ATOM 1004 C ARG A 64 38.424 32.619 33.827 1.00 0.00 C ATOM 1005 O ARG A 64 39.301 31.755 33.910 1.00 0.00 O ATOM 1006 CB ARG A 64 38.316 32.776 36.380 1.00 0.00 C ATOM 1007 CG ARG A 64 39.677 33.494 36.529 1.00 0.00 C ATOM 1008 CD ARG A 64 39.606 35.022 36.434 1.00 0.00 C ATOM 1009 NE ARG A 64 39.585 35.509 35.042 1.00 0.00 N ATOM 1010 CZ ARG A 64 38.893 36.527 34.563 1.00 0.00 C ATOM 1011 NH1 ARG A 64 38.071 37.251 35.271 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 39.018 36.834 33.311 1.00 0.00 N ATOM 0 H ARG A 64 36.373 31.434 35.842 1.00 0.00 H new ATOM 0 HA ARG A 64 37.274 34.010 34.953 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.667 33.114 37.188 1.00 0.00 H new ATOM 0 HB3 ARG A 64 38.481 31.709 36.528 1.00 0.00 H new ATOM 0 HG2 ARG A 64 40.113 33.223 37.491 1.00 0.00 H new ATOM 0 HG3 ARG A 64 40.353 33.126 35.757 1.00 0.00 H new ATOM 0 HD2 ARG A 64 38.712 35.372 36.950 1.00 0.00 H new ATOM 0 HD3 ARG A 64 40.462 35.454 36.952 1.00 0.00 H new ATOM 0 HE ARG A 64 40.169 35.004 34.376 1.00 0.00 H new ATOM 0 HH11 ARG A 64 37.931 37.044 36.260 1.00 0.00 H new ATOM 0 HH12 ARG A 64 37.568 38.024 34.836 1.00 0.00 H new ATOM 0 HH21 ARG A 64 39.643 36.293 32.713 1.00 0.00 H new ATOM 0 HH22 ARG A 64 38.492 37.617 32.923 1.00 0.00 H new ATOM 1026 N CYS A 65 38.171 33.282 32.701 1.00 0.00 N ATOM 1027 CA CYS A 65 38.907 33.088 31.451 1.00 0.00 C ATOM 1028 C CYS A 65 40.294 33.744 31.500 1.00 0.00 C ATOM 1029 O CYS A 65 40.519 34.668 32.290 1.00 0.00 O ATOM 1030 CB CYS A 65 38.078 33.624 30.287 1.00 0.00 C ATOM 1031 SG CYS A 65 38.589 33.012 28.655 1.00 0.00 S ATOM 0 H CYS A 65 37.434 33.984 32.629 1.00 0.00 H new ATOM 0 HA CYS A 65 39.074 32.021 31.306 1.00 0.00 H new ATOM 0 HB2 CYS A 65 37.033 33.360 30.449 1.00 0.00 H new ATOM 0 HB3 CYS A 65 38.135 34.712 30.287 1.00 0.00 H new ATOM 1036 N LYS A 66 41.226 33.258 30.672 1.00 0.00 N ATOM 1037 CA LYS A 66 42.624 33.711 30.623 1.00 0.00 C ATOM 1038 C LYS A 66 42.892 34.577 29.390 1.00 0.00 C ATOM 1039 O LYS A 66 42.251 34.444 28.345 1.00 0.00 O ATOM 1040 CB LYS A 66 43.588 32.510 30.738 1.00 0.00 C ATOM 1041 CG LYS A 66 43.693 31.928 32.164 1.00 0.00 C ATOM 1042 CD LYS A 66 42.525 31.019 32.575 1.00 0.00 C ATOM 1043 CE LYS A 66 42.613 30.648 34.057 1.00 0.00 C ATOM 1044 NZ LYS A 66 41.386 29.942 34.493 1.00 0.00 N1+ ATOM 0 H LYS A 66 41.025 32.519 29.999 1.00 0.00 H new ATOM 0 HA LYS A 66 42.811 34.353 31.484 1.00 0.00 H new ATOM 0 HB2 LYS A 66 43.257 31.724 30.059 1.00 0.00 H new ATOM 0 HB3 LYS A 66 44.580 32.820 30.408 1.00 0.00 H new ATOM 0 HG2 LYS A 66 44.621 31.362 32.243 1.00 0.00 H new ATOM 0 HG3 LYS A 66 43.761 32.752 32.874 1.00 0.00 H new ATOM 0 HD2 LYS A 66 41.580 31.525 32.379 1.00 0.00 H new ATOM 0 HD3 LYS A 66 42.534 30.113 31.969 1.00 0.00 H new ATOM 0 HE2 LYS A 66 43.483 30.014 34.227 1.00 0.00 H new ATOM 0 HE3 LYS A 66 42.752 31.549 34.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 41.405 29.819 35.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 40.550 30.501 34.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 41.340 29.010 34.034 1.00 0.00 H new HETATM 1058 N NH2 A 67 43.844 35.486 29.495 1.00 0.00 N TER 1061 NH2 A 67