USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=14 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 180:sc= 0 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=0,f=0.057) USER MOD Set 2.1: A 35 GLN : amide:sc= 0.319 K(o=0.97,f=0.36) USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0.647 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 130:sc= -0.811 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc=-0.00205 X(o=-0.0021,f=-0.0021) USER MOD Single : A 10 THR OG1 : rot -122:sc= 0.7 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= 0.14 (180deg=-0.299) USER MOD Single : A 22 ASN : amide:sc= 0.22 K(o=0.22,f=-4.4!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 177:sc= 0.14 USER MOD Single : A 34 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -94:sc= 0.232 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=-0.41) USER MOD Single : A 62 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.597 33.320 30.504 1.00 0.00 N ATOM 2 CA LYS A 1 12.813 32.969 31.268 1.00 0.00 C ATOM 3 C LYS A 1 14.049 33.210 30.417 1.00 0.00 C ATOM 4 O LYS A 1 14.130 32.727 29.287 1.00 0.00 O ATOM 5 CB LYS A 1 12.773 31.538 31.829 1.00 0.00 C ATOM 6 CG LYS A 1 13.760 31.423 33.003 1.00 0.00 C ATOM 7 CD LYS A 1 13.609 30.130 33.821 1.00 0.00 C ATOM 8 CE LYS A 1 13.890 30.379 35.313 1.00 0.00 C ATOM 9 NZ LYS A 1 15.296 30.759 35.597 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 10.756 33.152 31.093 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.635 34.323 30.233 1.00 0.00 H new ATOM 0 H3 LYS A 1 11.543 32.732 29.648 1.00 0.00 H new ATOM 0 HA LYS A 1 12.856 33.623 32.139 1.00 0.00 H new ATOM 0 HB2 LYS A 1 11.764 31.294 32.162 1.00 0.00 H new ATOM 0 HB3 LYS A 1 13.033 30.822 31.049 1.00 0.00 H new ATOM 0 HG2 LYS A 1 14.777 31.480 32.616 1.00 0.00 H new ATOM 0 HG3 LYS A 1 13.623 32.278 33.665 1.00 0.00 H new ATOM 0 HD2 LYS A 1 12.600 29.735 33.699 1.00 0.00 H new ATOM 0 HD3 LYS A 1 14.295 29.374 33.440 1.00 0.00 H new ATOM 0 HE2 LYS A 1 13.229 31.168 35.672 1.00 0.00 H new ATOM 0 HE3 LYS A 1 13.645 29.478 35.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 15.415 30.911 36.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 15.931 29.997 35.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 15.529 31.635 35.087 1.00 0.00 H new ATOM 25 N GLU A 2 15.011 33.965 30.944 1.00 0.00 N ATOM 26 CA GLU A 2 16.140 34.515 30.174 1.00 0.00 C ATOM 27 C GLU A 2 17.489 34.418 30.915 1.00 0.00 C ATOM 28 O GLU A 2 17.521 34.105 32.107 1.00 0.00 O ATOM 29 CB GLU A 2 15.817 35.981 29.834 1.00 0.00 C ATOM 30 CG GLU A 2 14.524 36.178 29.024 1.00 0.00 C ATOM 31 CD GLU A 2 14.111 37.644 28.869 1.00 0.00 C ATOM 32 OE1 GLU A 2 14.977 38.540 28.723 1.00 0.00 O ATOM 33 OE2 GLU A 2 12.884 37.915 28.862 1.00 0.00 O1- ATOM 0 H GLU A 2 15.034 34.219 31.932 1.00 0.00 H new ATOM 0 HA GLU A 2 16.257 33.918 29.269 1.00 0.00 H new ATOM 0 HB2 GLU A 2 15.739 36.547 30.762 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.651 36.403 29.272 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.656 35.740 28.034 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.715 35.631 29.509 1.00 0.00 H new ATOM 40 N GLY A 3 18.609 34.680 30.227 1.00 0.00 N ATOM 41 CA GLY A 3 19.933 34.730 30.865 1.00 0.00 C ATOM 42 C GLY A 3 21.114 34.952 29.910 1.00 0.00 C ATOM 43 O GLY A 3 21.021 34.710 28.712 1.00 0.00 O ATOM 0 H GLY A 3 18.624 34.862 29.223 1.00 0.00 H new ATOM 0 HA2 GLY A 3 19.931 35.530 31.606 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.094 33.796 31.404 1.00 0.00 H new ATOM 47 N TYR A 4 22.247 35.405 30.451 1.00 0.00 N ATOM 48 CA TYR A 4 23.498 35.649 29.712 1.00 0.00 C ATOM 49 C TYR A 4 24.132 34.323 29.228 1.00 0.00 C ATOM 50 O TYR A 4 24.004 33.298 29.901 1.00 0.00 O ATOM 51 CB TYR A 4 24.422 36.443 30.656 1.00 0.00 C ATOM 52 CG TYR A 4 25.558 37.249 30.052 1.00 0.00 C ATOM 53 CD1 TYR A 4 25.318 38.563 29.598 1.00 0.00 C ATOM 54 CD2 TYR A 4 26.878 36.758 30.097 1.00 0.00 C ATOM 55 CE1 TYR A 4 26.389 39.390 29.205 1.00 0.00 C ATOM 56 CE2 TYR A 4 27.951 37.588 29.713 1.00 0.00 C ATOM 57 CZ TYR A 4 27.713 38.908 29.273 1.00 0.00 C ATOM 58 OH TYR A 4 28.759 39.709 28.942 1.00 0.00 O ATOM 0 H TYR A 4 22.327 35.620 31.445 1.00 0.00 H new ATOM 0 HA TYR A 4 23.317 36.224 28.804 1.00 0.00 H new ATOM 0 HB2 TYR A 4 23.799 37.128 31.230 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.857 35.738 31.364 1.00 0.00 H new ATOM 0 HD1 TYR A 4 24.306 38.938 29.551 1.00 0.00 H new ATOM 0 HD2 TYR A 4 27.068 35.747 30.425 1.00 0.00 H new ATOM 0 HE1 TYR A 4 26.196 40.392 28.852 1.00 0.00 H new ATOM 0 HE2 TYR A 4 28.962 37.211 29.756 1.00 0.00 H new ATOM 0 HH TYR A 4 29.432 39.678 29.653 1.00 0.00 H new ATOM 68 N LEU A 5 24.812 34.305 28.073 1.00 0.00 N ATOM 69 CA LEU A 5 25.498 33.094 27.583 1.00 0.00 C ATOM 70 C LEU A 5 26.864 32.878 28.267 1.00 0.00 C ATOM 71 O LEU A 5 27.670 33.807 28.319 1.00 0.00 O ATOM 72 CB LEU A 5 25.606 33.137 26.046 1.00 0.00 C ATOM 73 CG LEU A 5 26.198 31.860 25.409 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.382 30.609 25.738 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.232 31.982 23.886 1.00 0.00 C ATOM 0 H LEU A 5 24.904 35.114 27.458 1.00 0.00 H new ATOM 0 HA LEU A 5 24.897 32.226 27.855 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.614 33.309 25.629 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.223 33.989 25.762 1.00 0.00 H new ATOM 0 HG LEU A 5 27.201 31.761 25.823 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.841 29.740 25.266 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.357 30.464 26.818 1.00 0.00 H new ATOM 0 HD13 LEU A 5 24.365 30.729 25.365 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.652 31.072 23.457 1.00 0.00 H new ATOM 0 HD22 LEU A 5 25.219 32.126 23.510 1.00 0.00 H new ATOM 0 HD23 LEU A 5 26.849 32.835 23.603 1.00 0.00 H new ATOM 87 N VAL A 6 27.153 31.658 28.741 1.00 0.00 N ATOM 88 CA VAL A 6 28.454 31.272 29.331 1.00 0.00 C ATOM 89 C VAL A 6 28.789 29.796 29.063 1.00 0.00 C ATOM 90 O VAL A 6 27.888 28.968 28.910 1.00 0.00 O ATOM 91 CB VAL A 6 28.484 31.614 30.838 1.00 0.00 C ATOM 92 CG1 VAL A 6 27.750 30.587 31.709 1.00 0.00 C ATOM 93 CG2 VAL A 6 29.921 31.741 31.351 1.00 0.00 C ATOM 0 H VAL A 6 26.479 30.892 28.727 1.00 0.00 H new ATOM 0 HA VAL A 6 29.235 31.854 28.842 1.00 0.00 H new ATOM 0 HB VAL A 6 27.964 32.568 30.923 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.810 30.888 32.755 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.704 30.534 31.406 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.213 29.608 31.586 1.00 0.00 H new ATOM 0 HG21 VAL A 6 29.908 31.982 32.414 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.446 30.798 31.199 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.433 32.534 30.806 1.00 0.00 H new ATOM 103 N ASP A 7 30.077 29.442 28.995 1.00 0.00 N ATOM 104 CA ASP A 7 30.516 28.072 28.693 1.00 0.00 C ATOM 105 C ASP A 7 30.360 27.112 29.893 1.00 0.00 C ATOM 106 O ASP A 7 30.361 27.505 31.063 1.00 0.00 O ATOM 107 CB ASP A 7 31.960 28.072 28.142 1.00 0.00 C ATOM 108 CG ASP A 7 32.308 26.862 27.262 1.00 0.00 C ATOM 109 OD1 ASP A 7 31.494 25.921 27.137 1.00 0.00 O ATOM 110 OD2 ASP A 7 33.426 26.814 26.696 1.00 0.00 O1- ATOM 0 H ASP A 7 30.845 30.095 29.147 1.00 0.00 H new ATOM 0 HA ASP A 7 29.854 27.687 27.918 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.114 28.982 27.563 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.655 28.107 28.981 1.00 0.00 H new ATOM 115 N TYR A 8 30.242 25.817 29.608 1.00 0.00 N ATOM 116 CA TYR A 8 30.317 24.767 30.630 1.00 0.00 C ATOM 117 C TYR A 8 31.761 24.577 31.130 1.00 0.00 C ATOM 118 O TYR A 8 31.963 24.280 32.308 1.00 0.00 O ATOM 119 CB TYR A 8 29.695 23.460 30.111 1.00 0.00 C ATOM 120 CG TYR A 8 30.470 22.712 29.037 1.00 0.00 C ATOM 121 CD1 TYR A 8 30.249 23.001 27.675 1.00 0.00 C ATOM 122 CD2 TYR A 8 31.368 21.686 29.399 1.00 0.00 C ATOM 123 CE1 TYR A 8 30.925 22.273 26.676 1.00 0.00 C ATOM 124 CE2 TYR A 8 32.039 20.950 28.403 1.00 0.00 C ATOM 125 CZ TYR A 8 31.817 21.241 27.040 1.00 0.00 C ATOM 126 OH TYR A 8 32.454 20.521 26.080 1.00 0.00 O ATOM 0 H TYR A 8 30.092 25.463 28.663 1.00 0.00 H new ATOM 0 HA TYR A 8 29.730 25.081 31.493 1.00 0.00 H new ATOM 0 HB2 TYR A 8 29.556 22.789 30.959 1.00 0.00 H new ATOM 0 HB3 TYR A 8 28.704 23.688 29.719 1.00 0.00 H new ATOM 0 HD1 TYR A 8 29.559 23.784 27.396 1.00 0.00 H new ATOM 0 HD2 TYR A 8 31.541 21.464 30.442 1.00 0.00 H new ATOM 0 HE1 TYR A 8 30.761 22.504 25.634 1.00 0.00 H new ATOM 0 HE2 TYR A 8 32.724 20.163 28.682 1.00 0.00 H new ATOM 0 HH TYR A 8 33.032 19.852 26.502 1.00 0.00 H new ATOM 136 N HIS A 9 32.768 24.819 30.279 1.00 0.00 N ATOM 137 CA HIS A 9 34.196 24.687 30.620 1.00 0.00 C ATOM 138 C HIS A 9 34.833 25.931 31.276 1.00 0.00 C ATOM 139 O HIS A 9 35.839 25.801 31.970 1.00 0.00 O ATOM 140 CB HIS A 9 34.961 24.269 29.350 1.00 0.00 C ATOM 141 CG HIS A 9 36.426 23.978 29.577 1.00 0.00 C ATOM 142 ND1 HIS A 9 36.935 22.889 30.293 1.00 0.00 N ATOM 143 CD2 HIS A 9 37.469 24.743 29.142 1.00 0.00 C ATOM 144 CE1 HIS A 9 38.271 23.041 30.294 1.00 0.00 C ATOM 145 NE2 HIS A 9 38.617 24.136 29.599 1.00 0.00 N ATOM 0 H HIS A 9 32.613 25.118 29.316 1.00 0.00 H new ATOM 0 HA HIS A 9 34.269 23.922 31.393 1.00 0.00 H new ATOM 0 HB2 HIS A 9 34.487 23.382 28.929 1.00 0.00 H new ATOM 0 HB3 HIS A 9 34.870 25.062 28.607 1.00 0.00 H new ATOM 0 HD2 HIS A 9 37.406 25.647 28.555 1.00 0.00 H new ATOM 0 HE1 HIS A 9 38.967 22.376 30.784 1.00 0.00 H new ATOM 0 HE2 HIS A 9 39.569 24.463 29.437 1.00 0.00 H new ATOM 153 N THR A 10 34.286 27.138 31.072 1.00 0.00 N ATOM 154 CA THR A 10 34.885 28.410 31.535 1.00 0.00 C ATOM 155 C THR A 10 33.860 29.550 31.641 1.00 0.00 C ATOM 156 O THR A 10 32.836 29.542 30.964 1.00 0.00 O ATOM 157 CB THR A 10 36.074 28.819 30.641 1.00 0.00 C ATOM 158 OG1 THR A 10 36.645 30.008 31.139 1.00 0.00 O ATOM 159 CG2 THR A 10 35.700 29.067 29.178 1.00 0.00 C ATOM 0 H THR A 10 33.404 27.266 30.575 1.00 0.00 H new ATOM 0 HA THR A 10 35.254 28.229 32.545 1.00 0.00 H new ATOM 0 HB THR A 10 36.767 27.978 30.668 1.00 0.00 H new ATOM 0 HG1 THR A 10 36.622 30.698 30.444 1.00 0.00 H new ATOM 0 HG21 THR A 10 36.591 29.350 28.618 1.00 0.00 H new ATOM 0 HG22 THR A 10 35.277 28.158 28.752 1.00 0.00 H new ATOM 0 HG23 THR A 10 34.966 29.870 29.121 1.00 0.00 H new ATOM 167 N GLY A 11 34.141 30.565 32.467 1.00 0.00 N ATOM 168 CA GLY A 11 33.262 31.720 32.713 1.00 0.00 C ATOM 169 C GLY A 11 33.244 32.792 31.607 1.00 0.00 C ATOM 170 O GLY A 11 32.751 33.901 31.840 1.00 0.00 O ATOM 0 H GLY A 11 35.010 30.609 32.999 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.245 31.355 32.857 1.00 0.00 H new ATOM 0 HA3 GLY A 11 33.566 32.193 33.647 1.00 0.00 H new ATOM 174 N CYS A 12 33.835 32.523 30.436 1.00 0.00 N ATOM 175 CA CYS A 12 34.048 33.519 29.379 1.00 0.00 C ATOM 176 C CYS A 12 32.751 33.952 28.665 1.00 0.00 C ATOM 177 O CYS A 12 31.950 33.116 28.240 1.00 0.00 O ATOM 178 CB CYS A 12 35.080 33.011 28.364 1.00 0.00 C ATOM 179 SG CYS A 12 36.719 32.571 29.015 1.00 0.00 S ATOM 0 H CYS A 12 34.183 31.595 30.193 1.00 0.00 H new ATOM 0 HA CYS A 12 34.431 34.411 29.874 1.00 0.00 H new ATOM 0 HB2 CYS A 12 34.665 32.134 27.867 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.212 33.778 27.601 1.00 0.00 H new ATOM 184 N LYS A 13 32.585 35.270 28.482 1.00 0.00 N ATOM 185 CA LYS A 13 31.511 35.898 27.691 1.00 0.00 C ATOM 186 C LYS A 13 31.614 35.605 26.185 1.00 0.00 C ATOM 187 O LYS A 13 32.701 35.349 25.661 1.00 0.00 O ATOM 188 CB LYS A 13 31.478 37.408 28.003 1.00 0.00 C ATOM 189 CG LYS A 13 32.735 38.174 27.540 1.00 0.00 C ATOM 190 CD LYS A 13 32.923 39.507 28.282 1.00 0.00 C ATOM 191 CE LYS A 13 31.823 40.534 27.977 1.00 0.00 C ATOM 192 NZ LYS A 13 31.949 41.745 28.826 1.00 0.00 N1+ ATOM 0 H LYS A 13 33.217 35.955 28.895 1.00 0.00 H new ATOM 0 HA LYS A 13 30.561 35.453 27.986 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.602 37.848 27.527 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.358 37.544 29.078 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.614 37.549 27.695 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.665 38.365 26.469 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.945 39.317 29.355 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.891 39.931 28.013 1.00 0.00 H new ATOM 0 HE2 LYS A 13 31.874 40.820 26.926 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.846 40.078 28.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 31.189 42.415 28.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 31.875 41.476 29.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 32.871 42.194 28.655 1.00 0.00 H new ATOM 206 N TYR A 14 30.480 35.672 25.490 1.00 0.00 N ATOM 207 CA TYR A 14 30.328 35.462 24.046 1.00 0.00 C ATOM 208 C TYR A 14 29.886 36.765 23.370 1.00 0.00 C ATOM 209 O TYR A 14 28.715 37.151 23.447 1.00 0.00 O ATOM 210 CB TYR A 14 29.318 34.333 23.792 1.00 0.00 C ATOM 211 CG TYR A 14 29.860 32.956 24.113 1.00 0.00 C ATOM 212 CD1 TYR A 14 30.393 32.154 23.084 1.00 0.00 C ATOM 213 CD2 TYR A 14 29.878 32.493 25.442 1.00 0.00 C ATOM 214 CE1 TYR A 14 30.942 30.891 23.379 1.00 0.00 C ATOM 215 CE2 TYR A 14 30.423 31.231 25.739 1.00 0.00 C ATOM 216 CZ TYR A 14 30.951 30.423 24.711 1.00 0.00 C ATOM 217 OH TYR A 14 31.515 29.233 25.036 1.00 0.00 O ATOM 0 H TYR A 14 29.591 35.886 25.942 1.00 0.00 H new ATOM 0 HA TYR A 14 31.286 35.169 23.616 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.426 34.513 24.391 1.00 0.00 H new ATOM 0 HB3 TYR A 14 29.010 34.359 22.747 1.00 0.00 H new ATOM 0 HD1 TYR A 14 30.380 32.510 22.064 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.473 33.107 26.233 1.00 0.00 H new ATOM 0 HE1 TYR A 14 31.355 30.282 22.588 1.00 0.00 H new ATOM 0 HE2 TYR A 14 30.437 30.879 26.760 1.00 0.00 H new ATOM 0 HH TYR A 14 32.251 29.040 24.418 1.00 0.00 H new ATOM 227 N THR A 15 30.822 37.467 22.726 1.00 0.00 N ATOM 228 CA THR A 15 30.561 38.745 22.049 1.00 0.00 C ATOM 229 C THR A 15 29.873 38.577 20.695 1.00 0.00 C ATOM 230 O THR A 15 30.172 37.652 19.933 1.00 0.00 O ATOM 231 CB THR A 15 31.840 39.572 21.857 1.00 0.00 C ATOM 232 OG1 THR A 15 32.822 38.846 21.156 1.00 0.00 O ATOM 233 CG2 THR A 15 32.446 40.001 23.188 1.00 0.00 C ATOM 0 H THR A 15 31.793 37.163 22.658 1.00 0.00 H new ATOM 0 HA THR A 15 29.883 39.278 22.715 1.00 0.00 H new ATOM 0 HB THR A 15 31.542 40.452 21.287 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.623 39.400 21.048 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.349 40.584 23.006 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.726 40.609 23.736 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.697 39.118 23.775 1.00 0.00 H new ATOM 241 N CYS A 16 28.973 39.506 20.365 1.00 0.00 N ATOM 242 CA CYS A 16 28.378 39.653 19.038 1.00 0.00 C ATOM 243 C CYS A 16 29.121 40.764 18.281 1.00 0.00 C ATOM 244 O CYS A 16 29.594 41.725 18.896 1.00 0.00 O ATOM 245 CB CYS A 16 26.894 40.016 19.148 1.00 0.00 C ATOM 246 SG CYS A 16 25.840 38.859 20.061 1.00 0.00 S ATOM 0 H CYS A 16 28.629 40.195 21.034 1.00 0.00 H new ATOM 0 HA CYS A 16 28.464 38.707 18.503 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.817 40.994 19.623 1.00 0.00 H new ATOM 0 HB3 CYS A 16 26.493 40.119 18.140 1.00 0.00 H new ATOM 251 N ALA A 17 29.202 40.678 16.954 1.00 0.00 N ATOM 252 CA ALA A 17 29.889 41.684 16.142 1.00 0.00 C ATOM 253 C ALA A 17 29.137 43.033 16.049 1.00 0.00 C ATOM 254 O ALA A 17 29.787 44.071 15.903 1.00 0.00 O ATOM 255 CB ALA A 17 30.159 41.059 14.774 1.00 0.00 C ATOM 0 H ALA A 17 28.796 39.914 16.413 1.00 0.00 H new ATOM 0 HA ALA A 17 30.828 41.954 16.625 1.00 0.00 H new ATOM 0 HB1 ALA A 17 30.672 41.781 14.139 1.00 0.00 H new ATOM 0 HB2 ALA A 17 30.784 40.174 14.895 1.00 0.00 H new ATOM 0 HB3 ALA A 17 29.214 40.775 14.311 1.00 0.00 H new ATOM 261 N LYS A 18 27.800 43.030 16.204 1.00 0.00 N ATOM 262 CA LYS A 18 26.928 44.215 16.368 1.00 0.00 C ATOM 263 C LYS A 18 25.779 43.934 17.339 1.00 0.00 C ATOM 264 O LYS A 18 25.296 42.798 17.428 1.00 0.00 O ATOM 265 CB LYS A 18 26.332 44.684 15.023 1.00 0.00 C ATOM 266 CG LYS A 18 27.346 45.057 13.932 1.00 0.00 C ATOM 267 CD LYS A 18 28.206 46.290 14.255 1.00 0.00 C ATOM 268 CE LYS A 18 29.287 46.522 13.189 1.00 0.00 C ATOM 269 NZ LYS A 18 30.224 45.378 13.053 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.269 42.159 16.219 1.00 0.00 H new ATOM 0 HA LYS A 18 27.563 45.004 16.771 1.00 0.00 H new ATOM 0 HB2 LYS A 18 25.688 43.893 14.638 1.00 0.00 H new ATOM 0 HB3 LYS A 18 25.696 45.549 15.212 1.00 0.00 H new ATOM 0 HG2 LYS A 18 28.004 44.206 13.759 1.00 0.00 H new ATOM 0 HG3 LYS A 18 26.809 45.238 13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.568 47.171 14.324 1.00 0.00 H new ATOM 0 HD3 LYS A 18 28.677 46.160 15.229 1.00 0.00 H new ATOM 0 HE2 LYS A 18 28.808 46.708 12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 18 29.852 47.419 13.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 31.186 45.735 12.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 30.210 44.813 13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 29.932 44.784 12.251 1.00 0.00 H new ATOM 283 N LEU A 19 25.285 44.979 18.004 1.00 0.00 N ATOM 284 CA LEU A 19 24.032 44.917 18.760 1.00 0.00 C ATOM 285 C LEU A 19 22.892 44.600 17.782 1.00 0.00 C ATOM 286 O LEU A 19 22.835 45.172 16.693 1.00 0.00 O ATOM 287 CB LEU A 19 23.780 46.257 19.479 1.00 0.00 C ATOM 288 CG LEU A 19 24.857 46.678 20.496 1.00 0.00 C ATOM 289 CD1 LEU A 19 24.567 48.093 21.001 1.00 0.00 C ATOM 290 CD2 LEU A 19 24.897 45.755 21.714 1.00 0.00 C ATOM 0 H LEU A 19 25.741 45.891 18.034 1.00 0.00 H new ATOM 0 HA LEU A 19 24.088 44.137 19.520 1.00 0.00 H new ATOM 0 HB2 LEU A 19 23.689 47.041 18.727 1.00 0.00 H new ATOM 0 HB3 LEU A 19 22.822 46.198 19.995 1.00 0.00 H new ATOM 0 HG LEU A 19 25.815 46.625 19.978 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.332 48.386 21.720 1.00 0.00 H new ATOM 0 HD12 LEU A 19 24.573 48.788 20.161 1.00 0.00 H new ATOM 0 HD13 LEU A 19 23.589 48.114 21.482 1.00 0.00 H new ATOM 0 HD21 LEU A 19 25.672 46.093 22.402 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.931 45.776 22.218 1.00 0.00 H new ATOM 0 HD23 LEU A 19 25.117 44.737 21.392 1.00 0.00 H new ATOM 302 N GLY A 20 21.987 43.691 18.148 1.00 0.00 N ATOM 303 CA GLY A 20 20.920 43.227 17.255 1.00 0.00 C ATOM 304 C GLY A 20 21.313 42.173 16.206 1.00 0.00 C ATOM 305 O GLY A 20 20.468 41.809 15.383 1.00 0.00 O ATOM 0 H GLY A 20 21.972 43.255 19.070 1.00 0.00 H new ATOM 0 HA2 GLY A 20 20.117 42.816 17.867 1.00 0.00 H new ATOM 0 HA3 GLY A 20 20.512 44.092 16.733 1.00 0.00 H new ATOM 309 N ASP A 21 22.541 41.636 16.210 1.00 0.00 N ATOM 310 CA ASP A 21 22.955 40.465 15.402 1.00 0.00 C ATOM 311 C ASP A 21 22.438 39.130 15.994 1.00 0.00 C ATOM 312 O ASP A 21 23.181 38.179 16.248 1.00 0.00 O ATOM 313 CB ASP A 21 24.483 40.473 15.221 1.00 0.00 C ATOM 314 CG ASP A 21 24.995 39.467 14.181 1.00 0.00 C ATOM 315 OD1 ASP A 21 24.198 38.916 13.391 1.00 0.00 O ATOM 316 OD2 ASP A 21 26.235 39.295 14.085 1.00 0.00 O1- ATOM 0 H ASP A 21 23.296 42.007 16.786 1.00 0.00 H new ATOM 0 HA ASP A 21 22.493 40.546 14.418 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.798 41.474 14.928 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.953 40.259 16.181 1.00 0.00 H new ATOM 321 N ASN A 22 21.141 39.085 16.291 1.00 0.00 N ATOM 322 CA ASN A 22 20.504 38.051 17.099 1.00 0.00 C ATOM 323 C ASN A 22 20.709 36.628 16.561 1.00 0.00 C ATOM 324 O ASN A 22 20.942 35.713 17.345 1.00 0.00 O ATOM 325 CB ASN A 22 19.015 38.413 17.252 1.00 0.00 C ATOM 326 CG ASN A 22 18.781 39.761 17.918 1.00 0.00 C ATOM 327 OD1 ASN A 22 19.686 40.390 18.455 1.00 0.00 O ATOM 328 ND2 ASN A 22 17.556 40.230 17.928 1.00 0.00 N ATOM 0 H ASN A 22 20.483 39.793 15.964 1.00 0.00 H new ATOM 0 HA ASN A 22 20.986 38.030 18.077 1.00 0.00 H new ATOM 0 HB2 ASN A 22 18.548 38.418 16.267 1.00 0.00 H new ATOM 0 HB3 ASN A 22 18.519 37.638 17.836 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.354 41.120 18.383 1.00 0.00 H new ATOM 0 HD22 ASN A 22 16.805 39.705 17.480 1.00 0.00 H new ATOM 335 N ASP A 23 20.700 36.444 15.242 1.00 0.00 N ATOM 336 CA ASP A 23 20.862 35.154 14.563 1.00 0.00 C ATOM 337 C ASP A 23 22.182 34.435 14.899 1.00 0.00 C ATOM 338 O ASP A 23 22.261 33.206 14.802 1.00 0.00 O ATOM 339 CB ASP A 23 20.754 35.350 13.035 1.00 0.00 C ATOM 340 CG ASP A 23 19.510 36.116 12.556 1.00 0.00 C ATOM 341 OD1 ASP A 23 18.831 35.627 11.626 1.00 0.00 O ATOM 342 OD2 ASP A 23 19.200 37.211 13.074 1.00 0.00 O1- ATOM 0 H ASP A 23 20.575 37.218 14.589 1.00 0.00 H new ATOM 0 HA ASP A 23 20.059 34.514 14.929 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.642 35.880 12.690 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.762 34.370 12.558 1.00 0.00 H new ATOM 347 N TYR A 24 23.218 35.178 15.313 1.00 0.00 N ATOM 348 CA TYR A 24 24.476 34.638 15.850 1.00 0.00 C ATOM 349 C TYR A 24 24.305 34.126 17.286 1.00 0.00 C ATOM 350 O TYR A 24 24.698 33.007 17.614 1.00 0.00 O ATOM 351 CB TYR A 24 25.531 35.750 15.788 1.00 0.00 C ATOM 352 CG TYR A 24 26.866 35.406 16.412 1.00 0.00 C ATOM 353 CD1 TYR A 24 27.117 35.712 17.764 1.00 0.00 C ATOM 354 CD2 TYR A 24 27.873 34.814 15.627 1.00 0.00 C ATOM 355 CE1 TYR A 24 28.368 35.408 18.336 1.00 0.00 C ATOM 356 CE2 TYR A 24 29.131 34.533 16.191 1.00 0.00 C ATOM 357 CZ TYR A 24 29.381 34.824 17.550 1.00 0.00 C ATOM 358 OH TYR A 24 30.609 34.589 18.080 1.00 0.00 O ATOM 0 H TYR A 24 23.204 36.197 15.283 1.00 0.00 H new ATOM 0 HA TYR A 24 24.791 33.783 15.252 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.694 36.017 14.744 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.133 36.635 16.285 1.00 0.00 H new ATOM 0 HD1 TYR A 24 26.350 36.180 18.363 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.680 34.575 14.592 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.551 35.623 19.378 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.908 34.093 15.583 1.00 0.00 H new ATOM 0 HH TYR A 24 31.186 34.181 17.401 1.00 0.00 H new ATOM 368 N CYS A 25 23.660 34.915 18.153 1.00 0.00 N ATOM 369 CA CYS A 25 23.373 34.514 19.533 1.00 0.00 C ATOM 370 C CYS A 25 22.401 33.325 19.611 1.00 0.00 C ATOM 371 O CYS A 25 22.599 32.428 20.427 1.00 0.00 O ATOM 372 CB CYS A 25 22.853 35.739 20.294 1.00 0.00 C ATOM 373 SG CYS A 25 22.278 35.426 21.981 1.00 0.00 S ATOM 0 H CYS A 25 23.323 35.848 17.917 1.00 0.00 H new ATOM 0 HA CYS A 25 24.292 34.159 20.000 1.00 0.00 H new ATOM 0 HB2 CYS A 25 23.647 36.484 20.333 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.033 36.176 19.725 1.00 0.00 H new ATOM 378 N VAL A 26 21.401 33.262 18.724 1.00 0.00 N ATOM 379 CA VAL A 26 20.480 32.120 18.600 1.00 0.00 C ATOM 380 C VAL A 26 21.255 30.821 18.352 1.00 0.00 C ATOM 381 O VAL A 26 21.055 29.854 19.090 1.00 0.00 O ATOM 382 CB VAL A 26 19.435 32.379 17.493 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.561 31.152 17.202 1.00 0.00 C ATOM 384 CG2 VAL A 26 18.484 33.520 17.887 1.00 0.00 C ATOM 0 H VAL A 26 21.204 34.012 18.062 1.00 0.00 H new ATOM 0 HA VAL A 26 19.942 32.006 19.541 1.00 0.00 H new ATOM 0 HB VAL A 26 20.015 32.634 16.606 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.845 31.393 16.416 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.192 30.325 16.877 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.024 30.865 18.106 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.759 33.681 17.089 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.960 33.256 18.806 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.057 34.433 18.046 1.00 0.00 H new ATOM 394 N ARG A 27 22.196 30.811 17.390 1.00 0.00 N ATOM 395 CA ARG A 27 23.086 29.688 17.099 1.00 0.00 C ATOM 396 C ARG A 27 23.906 29.276 18.316 1.00 0.00 C ATOM 397 O ARG A 27 23.830 28.135 18.762 1.00 0.00 O ATOM 398 CB ARG A 27 23.991 30.119 15.936 1.00 0.00 C ATOM 399 CG ARG A 27 24.900 29.002 15.431 1.00 0.00 C ATOM 400 CD ARG A 27 25.849 29.577 14.381 1.00 0.00 C ATOM 401 NE ARG A 27 27.093 30.110 14.971 1.00 0.00 N ATOM 402 CZ ARG A 27 27.996 30.868 14.381 1.00 0.00 C ATOM 403 NH1 ARG A 27 27.885 31.266 13.151 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 29.049 31.238 15.045 1.00 0.00 N ATOM 0 H ARG A 27 22.357 31.612 16.779 1.00 0.00 H new ATOM 0 HA ARG A 27 22.501 28.809 16.828 1.00 0.00 H new ATOM 0 HB2 ARG A 27 23.370 30.472 15.113 1.00 0.00 H new ATOM 0 HB3 ARG A 27 24.605 30.961 16.256 1.00 0.00 H new ATOM 0 HG2 ARG A 27 25.467 28.574 16.258 1.00 0.00 H new ATOM 0 HG3 ARG A 27 24.305 28.196 15.001 1.00 0.00 H new ATOM 0 HD2 ARG A 27 26.098 28.801 13.658 1.00 0.00 H new ATOM 0 HD3 ARG A 27 25.341 30.371 13.834 1.00 0.00 H new ATOM 0 HE ARG A 27 27.274 29.864 15.944 1.00 0.00 H new ATOM 0 HH11 ARG A 27 27.073 30.993 12.598 1.00 0.00 H new ATOM 0 HH12 ARG A 27 28.610 31.852 12.737 1.00 0.00 H new ATOM 0 HH21 ARG A 27 29.171 30.942 16.013 1.00 0.00 H new ATOM 0 HH22 ARG A 27 29.754 31.824 14.598 1.00 0.00 H new ATOM 418 N GLU A 28 24.686 30.196 18.877 1.00 0.00 N ATOM 419 CA GLU A 28 25.598 29.852 19.969 1.00 0.00 C ATOM 420 C GLU A 28 24.871 29.453 21.260 1.00 0.00 C ATOM 421 O GLU A 28 25.331 28.528 21.931 1.00 0.00 O ATOM 422 CB GLU A 28 26.579 31.000 20.229 1.00 0.00 C ATOM 423 CG GLU A 28 27.560 31.252 19.072 1.00 0.00 C ATOM 424 CD GLU A 28 28.312 29.988 18.624 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.489 29.807 17.395 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.696 29.150 19.477 1.00 0.00 O1- ATOM 0 H GLU A 28 24.707 31.177 18.598 1.00 0.00 H new ATOM 0 HA GLU A 28 26.153 28.971 19.647 1.00 0.00 H new ATOM 0 HB2 GLU A 28 26.014 31.912 20.419 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.147 30.782 21.134 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.012 31.660 18.223 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.284 32.008 19.377 1.00 0.00 H new ATOM 433 N CYS A 29 23.727 30.066 21.585 1.00 0.00 N ATOM 434 CA CYS A 29 22.923 29.686 22.746 1.00 0.00 C ATOM 435 C CYS A 29 22.326 28.277 22.576 1.00 0.00 C ATOM 436 O CYS A 29 22.463 27.433 23.469 1.00 0.00 O ATOM 437 CB CYS A 29 21.827 30.737 22.987 1.00 0.00 C ATOM 438 SG CYS A 29 20.868 30.408 24.490 1.00 0.00 S ATOM 0 H CYS A 29 23.335 30.840 21.048 1.00 0.00 H new ATOM 0 HA CYS A 29 23.569 29.653 23.623 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.284 31.724 23.060 1.00 0.00 H new ATOM 0 HB3 CYS A 29 21.155 30.760 22.129 1.00 0.00 H new ATOM 443 N ARG A 30 21.725 27.980 21.409 1.00 0.00 N ATOM 444 CA ARG A 30 21.121 26.663 21.142 1.00 0.00 C ATOM 445 C ARG A 30 22.141 25.540 20.952 1.00 0.00 C ATOM 446 O ARG A 30 21.797 24.376 21.152 1.00 0.00 O ATOM 447 CB ARG A 30 20.098 26.746 19.996 1.00 0.00 C ATOM 448 CG ARG A 30 20.685 26.646 18.574 1.00 0.00 C ATOM 449 CD ARG A 30 19.594 26.833 17.511 1.00 0.00 C ATOM 450 NE ARG A 30 18.633 25.712 17.505 1.00 0.00 N ATOM 451 CZ ARG A 30 18.521 24.738 16.622 1.00 0.00 C ATOM 452 NH1 ARG A 30 19.263 24.628 15.558 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 17.637 23.808 16.803 1.00 0.00 N ATOM 0 H ARG A 30 21.645 28.638 20.634 1.00 0.00 H new ATOM 0 HA ARG A 30 20.580 26.383 22.046 1.00 0.00 H new ATOM 0 HB2 ARG A 30 19.368 25.947 20.126 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.558 27.689 20.082 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.458 27.403 18.443 1.00 0.00 H new ATOM 0 HG3 ARG A 30 21.163 25.675 18.442 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.062 27.766 17.697 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.056 26.920 16.528 1.00 0.00 H new ATOM 0 HE ARG A 30 17.972 25.687 18.282 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.985 25.322 15.366 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.122 23.848 14.916 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.033 23.832 17.624 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.545 23.052 16.124 1.00 0.00 H new ATOM 467 N LEU A 31 23.388 25.867 20.601 1.00 0.00 N ATOM 468 CA LEU A 31 24.489 24.898 20.592 1.00 0.00 C ATOM 469 C LEU A 31 25.065 24.650 21.994 1.00 0.00 C ATOM 470 O LEU A 31 25.454 23.516 22.285 1.00 0.00 O ATOM 471 CB LEU A 31 25.585 25.372 19.621 1.00 0.00 C ATOM 472 CG LEU A 31 25.199 25.266 18.133 1.00 0.00 C ATOM 473 CD1 LEU A 31 26.270 25.949 17.284 1.00 0.00 C ATOM 474 CD2 LEU A 31 25.092 23.812 17.667 1.00 0.00 C ATOM 0 H LEU A 31 23.663 26.807 20.316 1.00 0.00 H new ATOM 0 HA LEU A 31 24.091 23.942 20.251 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.832 26.409 19.848 1.00 0.00 H new ATOM 0 HB3 LEU A 31 26.487 24.784 19.794 1.00 0.00 H new ATOM 0 HG LEU A 31 24.227 25.745 18.017 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.000 25.876 16.230 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.344 26.999 17.568 1.00 0.00 H new ATOM 0 HD13 LEU A 31 27.230 25.460 17.447 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.818 23.787 16.612 1.00 0.00 H new ATOM 0 HD22 LEU A 31 26.052 23.314 17.804 1.00 0.00 H new ATOM 0 HD23 LEU A 31 24.330 23.298 18.252 1.00 0.00 H new ATOM 486 N ARG A 32 25.122 25.674 22.863 1.00 0.00 N ATOM 487 CA ARG A 32 25.710 25.576 24.213 1.00 0.00 C ATOM 488 C ARG A 32 24.787 24.914 25.237 1.00 0.00 C ATOM 489 O ARG A 32 25.252 24.053 25.985 1.00 0.00 O ATOM 490 CB ARG A 32 26.130 26.975 24.708 1.00 0.00 C ATOM 491 CG ARG A 32 27.152 26.977 25.861 1.00 0.00 C ATOM 492 CD ARG A 32 28.495 26.314 25.510 1.00 0.00 C ATOM 493 NE ARG A 32 29.090 26.872 24.282 1.00 0.00 N ATOM 494 CZ ARG A 32 30.265 26.588 23.759 1.00 0.00 C ATOM 495 NH1 ARG A 32 31.180 25.885 24.358 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 30.550 27.038 22.579 1.00 0.00 N ATOM 0 H ARG A 32 24.758 26.602 22.647 1.00 0.00 H new ATOM 0 HA ARG A 32 26.583 24.929 24.122 1.00 0.00 H new ATOM 0 HB2 ARG A 32 26.550 27.530 23.869 1.00 0.00 H new ATOM 0 HB3 ARG A 32 25.239 27.512 25.031 1.00 0.00 H new ATOM 0 HG2 ARG A 32 27.336 28.007 26.167 1.00 0.00 H new ATOM 0 HG3 ARG A 32 26.718 26.462 26.718 1.00 0.00 H new ATOM 0 HD2 ARG A 32 29.190 26.444 26.340 1.00 0.00 H new ATOM 0 HD3 ARG A 32 28.346 25.242 25.384 1.00 0.00 H new ATOM 0 HE ARG A 32 28.526 27.557 23.779 1.00 0.00 H new ATOM 0 HH11 ARG A 32 31.008 25.515 25.293 1.00 0.00 H new ATOM 0 HH12 ARG A 32 32.069 25.703 23.893 1.00 0.00 H new ATOM 0 HH21 ARG A 32 29.869 27.602 22.070 1.00 0.00 H new ATOM 0 HH22 ARG A 32 31.455 26.828 22.158 1.00 0.00 H new ATOM 510 N TYR A 33 23.523 25.343 25.299 1.00 0.00 N ATOM 511 CA TYR A 33 22.542 24.891 26.294 1.00 0.00 C ATOM 512 C TYR A 33 21.669 23.750 25.749 1.00 0.00 C ATOM 513 O TYR A 33 21.869 22.592 26.123 1.00 0.00 O ATOM 514 CB TYR A 33 21.700 26.076 26.822 1.00 0.00 C ATOM 515 CG TYR A 33 22.421 27.227 27.520 1.00 0.00 C ATOM 516 CD1 TYR A 33 23.735 27.095 28.018 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.736 28.447 27.699 1.00 0.00 C ATOM 518 CE1 TYR A 33 24.370 28.177 28.655 1.00 0.00 C ATOM 519 CE2 TYR A 33 22.371 29.537 28.338 1.00 0.00 C ATOM 520 CZ TYR A 33 23.697 29.404 28.811 1.00 0.00 C ATOM 521 OH TYR A 33 24.348 30.434 29.417 1.00 0.00 O ATOM 0 H TYR A 33 23.144 26.029 24.646 1.00 0.00 H new ATOM 0 HA TYR A 33 23.089 24.483 27.144 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.148 26.493 25.979 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.963 25.675 27.518 1.00 0.00 H new ATOM 0 HD1 TYR A 33 24.257 26.156 27.909 1.00 0.00 H new ATOM 0 HD2 TYR A 33 20.720 28.549 27.346 1.00 0.00 H new ATOM 0 HE1 TYR A 33 25.378 28.066 29.026 1.00 0.00 H new ATOM 0 HE2 TYR A 33 21.843 30.471 28.465 1.00 0.00 H new ATOM 0 HH TYR A 33 23.777 31.231 29.410 1.00 0.00 H new ATOM 531 N TYR A 34 20.709 24.051 24.868 1.00 0.00 N ATOM 532 CA TYR A 34 19.769 23.072 24.307 1.00 0.00 C ATOM 533 C TYR A 34 19.103 23.576 23.016 1.00 0.00 C ATOM 534 O TYR A 34 18.941 24.780 22.819 1.00 0.00 O ATOM 535 CB TYR A 34 18.717 22.650 25.352 1.00 0.00 C ATOM 536 CG TYR A 34 17.576 23.616 25.598 1.00 0.00 C ATOM 537 CD1 TYR A 34 16.251 23.178 25.423 1.00 0.00 C ATOM 538 CD2 TYR A 34 17.824 24.926 26.055 1.00 0.00 C ATOM 539 CE1 TYR A 34 15.182 24.053 25.674 1.00 0.00 C ATOM 540 CE2 TYR A 34 16.760 25.815 26.282 1.00 0.00 C ATOM 541 CZ TYR A 34 15.432 25.379 26.082 1.00 0.00 C ATOM 542 OH TYR A 34 14.395 26.228 26.283 1.00 0.00 O ATOM 0 H TYR A 34 20.560 24.998 24.518 1.00 0.00 H new ATOM 0 HA TYR A 34 20.351 22.190 24.038 1.00 0.00 H new ATOM 0 HB2 TYR A 34 18.293 21.695 25.042 1.00 0.00 H new ATOM 0 HB3 TYR A 34 19.228 22.479 26.299 1.00 0.00 H new ATOM 0 HD1 TYR A 34 16.056 22.168 25.095 1.00 0.00 H new ATOM 0 HD2 TYR A 34 18.839 25.249 26.232 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.165 23.709 25.554 1.00 0.00 H new ATOM 0 HE2 TYR A 34 16.957 26.826 26.608 1.00 0.00 H new ATOM 0 HH TYR A 34 13.609 25.721 26.574 1.00 0.00 H new ATOM 552 N GLN A 35 18.683 22.653 22.148 1.00 0.00 N ATOM 553 CA GLN A 35 18.253 22.942 20.770 1.00 0.00 C ATOM 554 C GLN A 35 17.080 23.920 20.606 1.00 0.00 C ATOM 555 O GLN A 35 16.978 24.570 19.564 1.00 0.00 O ATOM 556 CB GLN A 35 17.940 21.613 20.066 1.00 0.00 C ATOM 557 CG GLN A 35 16.582 20.958 20.393 1.00 0.00 C ATOM 558 CD GLN A 35 16.416 20.573 21.858 1.00 0.00 C ATOM 559 OE1 GLN A 35 17.226 19.862 22.432 1.00 0.00 O ATOM 560 NE2 GLN A 35 15.383 21.021 22.528 1.00 0.00 N ATOM 0 H GLN A 35 18.630 21.662 22.384 1.00 0.00 H new ATOM 0 HA GLN A 35 19.090 23.468 20.310 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.987 21.779 18.990 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.729 20.903 20.314 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.783 21.645 20.116 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.463 20.066 19.778 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.695 21.616 22.067 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.267 20.775 23.511 1.00 0.00 H new ATOM 569 N SER A 36 16.196 24.023 21.599 1.00 0.00 N ATOM 570 CA SER A 36 15.024 24.905 21.568 1.00 0.00 C ATOM 571 C SER A 36 15.280 26.292 22.177 1.00 0.00 C ATOM 572 O SER A 36 14.334 27.071 22.317 1.00 0.00 O ATOM 573 CB SER A 36 13.844 24.212 22.252 1.00 0.00 C ATOM 574 OG SER A 36 13.481 23.031 21.554 1.00 0.00 O ATOM 0 H SER A 36 16.274 23.487 22.464 1.00 0.00 H new ATOM 0 HA SER A 36 14.789 25.088 20.520 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.107 23.966 23.281 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.992 24.891 22.295 1.00 0.00 H new ATOM 0 HG SER A 36 12.726 22.602 22.008 1.00 0.00 H new ATOM 580 N ALA A 37 16.521 26.622 22.548 1.00 0.00 N ATOM 581 CA ALA A 37 16.859 27.963 23.040 1.00 0.00 C ATOM 582 C ALA A 37 16.741 29.054 21.949 1.00 0.00 C ATOM 583 O ALA A 37 16.969 28.800 20.763 1.00 0.00 O ATOM 584 CB ALA A 37 18.268 27.943 23.641 1.00 0.00 C ATOM 0 H ALA A 37 17.311 25.977 22.517 1.00 0.00 H new ATOM 0 HA ALA A 37 16.132 28.226 23.808 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.522 28.938 24.007 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.301 27.233 24.467 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.985 27.644 22.877 1.00 0.00 H new ATOM 590 N HIS A 38 16.421 30.286 22.355 1.00 0.00 N ATOM 591 CA HIS A 38 16.435 31.506 21.526 1.00 0.00 C ATOM 592 C HIS A 38 17.386 32.549 22.145 1.00 0.00 C ATOM 593 O HIS A 38 17.977 32.296 23.193 1.00 0.00 O ATOM 594 CB HIS A 38 15.003 32.050 21.405 1.00 0.00 C ATOM 595 CG HIS A 38 14.052 31.172 20.628 1.00 0.00 C ATOM 596 ND1 HIS A 38 13.711 31.330 19.278 1.00 0.00 N ATOM 597 CD2 HIS A 38 13.384 30.092 21.120 1.00 0.00 C ATOM 598 CE1 HIS A 38 12.844 30.339 19.001 1.00 0.00 C ATOM 599 NE2 HIS A 38 12.633 29.583 20.088 1.00 0.00 N ATOM 0 H HIS A 38 16.131 30.474 23.315 1.00 0.00 H new ATOM 0 HA HIS A 38 16.802 31.276 20.526 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.601 32.198 22.407 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.041 33.030 20.929 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.435 29.709 22.128 1.00 0.00 H new ATOM 0 HE1 HIS A 38 12.383 30.175 18.038 1.00 0.00 H new ATOM 0 HE2 HIS A 38 12.020 28.769 20.140 1.00 0.00 H new ATOM 607 N GLY A 39 17.548 33.725 21.526 1.00 0.00 N ATOM 608 CA GLY A 39 18.341 34.820 22.099 1.00 0.00 C ATOM 609 C GLY A 39 18.461 36.067 21.215 1.00 0.00 C ATOM 610 O GLY A 39 17.903 36.119 20.114 1.00 0.00 O ATOM 0 H GLY A 39 17.136 33.944 20.619 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.897 35.110 23.051 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.343 34.448 22.314 1.00 0.00 H new ATOM 614 N TYR A 40 19.198 37.064 21.713 1.00 0.00 N ATOM 615 CA TYR A 40 19.535 38.326 21.046 1.00 0.00 C ATOM 616 C TYR A 40 20.864 38.923 21.546 1.00 0.00 C ATOM 617 O TYR A 40 21.424 38.489 22.553 1.00 0.00 O ATOM 618 CB TYR A 40 18.383 39.331 21.207 1.00 0.00 C ATOM 619 CG TYR A 40 17.986 39.683 22.625 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.723 40.635 23.355 1.00 0.00 C ATOM 621 CD2 TYR A 40 16.823 39.119 23.177 1.00 0.00 C ATOM 622 CE1 TYR A 40 18.294 41.030 24.636 1.00 0.00 C ATOM 623 CE2 TYR A 40 16.376 39.535 24.441 1.00 0.00 C ATOM 624 CZ TYR A 40 17.109 40.493 25.170 1.00 0.00 C ATOM 625 OH TYR A 40 16.659 40.880 26.390 1.00 0.00 O ATOM 0 H TYR A 40 19.600 37.009 22.649 1.00 0.00 H new ATOM 0 HA TYR A 40 19.674 38.109 19.987 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.659 40.251 20.692 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.507 38.930 20.697 1.00 0.00 H new ATOM 0 HD1 TYR A 40 19.619 41.063 22.931 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.274 38.367 22.630 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.872 41.742 25.206 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.469 39.120 24.856 1.00 0.00 H new ATOM 0 HH TYR A 40 16.979 40.252 27.071 1.00 0.00 H new ATOM 635 N CYS A 41 21.384 39.932 20.841 1.00 0.00 N ATOM 636 CA CYS A 41 22.641 40.610 21.174 1.00 0.00 C ATOM 637 C CYS A 41 22.381 41.962 21.860 1.00 0.00 C ATOM 638 O CYS A 41 21.736 42.844 21.280 1.00 0.00 O ATOM 639 CB CYS A 41 23.464 40.759 19.890 1.00 0.00 C ATOM 640 SG CYS A 41 24.028 39.185 19.194 1.00 0.00 S ATOM 0 H CYS A 41 20.934 40.308 20.006 1.00 0.00 H new ATOM 0 HA CYS A 41 23.207 40.015 21.891 1.00 0.00 H new ATOM 0 HB2 CYS A 41 22.864 41.281 19.144 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.332 41.385 20.097 1.00 0.00 H new ATOM 645 N TYR A 42 22.896 42.127 23.083 1.00 0.00 N ATOM 646 CA TYR A 42 22.724 43.309 23.942 1.00 0.00 C ATOM 647 C TYR A 42 23.937 43.457 24.876 1.00 0.00 C ATOM 648 O TYR A 42 24.536 42.452 25.258 1.00 0.00 O ATOM 649 CB TYR A 42 21.415 43.169 24.736 1.00 0.00 C ATOM 650 CG TYR A 42 20.953 44.423 25.457 1.00 0.00 C ATOM 651 CD1 TYR A 42 21.337 44.667 26.792 1.00 0.00 C ATOM 652 CD2 TYR A 42 20.107 45.337 24.793 1.00 0.00 C ATOM 653 CE1 TYR A 42 20.882 45.825 27.457 1.00 0.00 C ATOM 654 CE2 TYR A 42 19.642 46.485 25.460 1.00 0.00 C ATOM 655 CZ TYR A 42 20.025 46.730 26.796 1.00 0.00 C ATOM 656 OH TYR A 42 19.590 47.851 27.428 1.00 0.00 O ATOM 0 H TYR A 42 23.471 41.409 23.523 1.00 0.00 H new ATOM 0 HA TYR A 42 22.663 44.210 23.332 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.627 42.852 24.052 1.00 0.00 H new ATOM 0 HB3 TYR A 42 21.539 42.373 25.470 1.00 0.00 H new ATOM 0 HD1 TYR A 42 21.980 43.967 27.305 1.00 0.00 H new ATOM 0 HD2 TYR A 42 19.816 45.154 23.769 1.00 0.00 H new ATOM 0 HE1 TYR A 42 21.190 46.019 28.474 1.00 0.00 H new ATOM 0 HE2 TYR A 42 18.991 47.179 24.949 1.00 0.00 H new ATOM 0 HH TYR A 42 19.009 48.361 26.826 1.00 0.00 H new ATOM 666 N ALA A 43 24.345 44.678 25.232 1.00 0.00 N ATOM 667 CA ALA A 43 25.581 44.939 25.990 1.00 0.00 C ATOM 668 C ALA A 43 26.821 44.253 25.359 1.00 0.00 C ATOM 669 O ALA A 43 27.645 43.640 26.041 1.00 0.00 O ATOM 670 CB ALA A 43 25.348 44.628 27.477 1.00 0.00 C ATOM 0 H ALA A 43 23.824 45.524 25.002 1.00 0.00 H new ATOM 0 HA ALA A 43 25.828 45.999 25.930 1.00 0.00 H new ATOM 0 HB1 ALA A 43 26.263 44.821 28.037 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.548 45.261 27.860 1.00 0.00 H new ATOM 0 HB3 ALA A 43 25.068 43.581 27.590 1.00 0.00 H new ATOM 676 N PHE A 44 26.874 44.292 24.021 1.00 0.00 N ATOM 677 CA PHE A 44 27.831 43.637 23.115 1.00 0.00 C ATOM 678 C PHE A 44 27.946 42.096 23.213 1.00 0.00 C ATOM 679 O PHE A 44 28.811 41.501 22.564 1.00 0.00 O ATOM 680 CB PHE A 44 29.188 44.364 23.152 1.00 0.00 C ATOM 681 CG PHE A 44 29.132 45.866 22.895 1.00 0.00 C ATOM 682 CD1 PHE A 44 28.560 46.370 21.708 1.00 0.00 C ATOM 683 CD2 PHE A 44 29.699 46.765 23.817 1.00 0.00 C ATOM 684 CE1 PHE A 44 28.564 47.751 21.442 1.00 0.00 C ATOM 685 CE2 PHE A 44 29.710 48.147 23.550 1.00 0.00 C ATOM 686 CZ PHE A 44 29.151 48.639 22.358 1.00 0.00 C ATOM 0 H PHE A 44 26.186 44.832 23.496 1.00 0.00 H new ATOM 0 HA PHE A 44 27.399 43.747 22.120 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.645 44.196 24.127 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.845 43.910 22.410 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.115 45.689 20.997 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.128 46.392 24.735 1.00 0.00 H new ATOM 0 HE1 PHE A 44 28.116 48.128 20.534 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.149 48.830 24.262 1.00 0.00 H new ATOM 0 HZ PHE A 44 29.173 49.698 22.147 1.00 0.00 H new ATOM 696 N ALA A 45 27.066 41.427 23.968 1.00 0.00 N ATOM 697 CA ALA A 45 27.132 39.994 24.254 1.00 0.00 C ATOM 698 C ALA A 45 25.792 39.265 24.040 1.00 0.00 C ATOM 699 O ALA A 45 24.719 39.874 24.009 1.00 0.00 O ATOM 700 CB ALA A 45 27.669 39.810 25.679 1.00 0.00 C ATOM 0 H ALA A 45 26.267 41.883 24.408 1.00 0.00 H new ATOM 0 HA ALA A 45 27.811 39.529 23.539 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.726 38.747 25.912 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.663 40.251 25.753 1.00 0.00 H new ATOM 0 HB3 ALA A 45 27.000 40.301 26.386 1.00 0.00 H new ATOM 706 N CYS A 46 25.854 37.941 23.895 1.00 0.00 N ATOM 707 CA CYS A 46 24.672 37.099 23.713 1.00 0.00 C ATOM 708 C CYS A 46 23.838 36.938 25.001 1.00 0.00 C ATOM 709 O CYS A 46 24.351 36.562 26.062 1.00 0.00 O ATOM 710 CB CYS A 46 25.120 35.756 23.128 1.00 0.00 C ATOM 711 SG CYS A 46 23.829 34.497 22.920 1.00 0.00 S ATOM 0 H CYS A 46 26.731 37.420 23.901 1.00 0.00 H new ATOM 0 HA CYS A 46 23.994 37.590 23.014 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.576 35.942 22.156 1.00 0.00 H new ATOM 0 HB3 CYS A 46 25.898 35.345 23.772 1.00 0.00 H new ATOM 716 N TRP A 47 22.533 37.189 24.884 1.00 0.00 N ATOM 717 CA TRP A 47 21.510 37.000 25.912 1.00 0.00 C ATOM 718 C TRP A 47 20.425 36.044 25.396 1.00 0.00 C ATOM 719 O TRP A 47 19.760 36.320 24.398 1.00 0.00 O ATOM 720 CB TRP A 47 20.927 38.368 26.280 1.00 0.00 C ATOM 721 CG TRP A 47 19.858 38.357 27.327 1.00 0.00 C ATOM 722 CD1 TRP A 47 18.534 38.259 27.082 1.00 0.00 C ATOM 723 CD2 TRP A 47 19.988 38.412 28.780 1.00 0.00 C ATOM 724 NE1 TRP A 47 17.834 38.332 28.270 1.00 0.00 N ATOM 725 CE2 TRP A 47 18.682 38.378 29.353 1.00 0.00 C ATOM 726 CE3 TRP A 47 21.075 38.517 29.673 1.00 0.00 C ATOM 727 CZ2 TRP A 47 18.470 38.416 30.740 1.00 0.00 C ATOM 728 CZ3 TRP A 47 20.875 38.571 31.067 1.00 0.00 C ATOM 729 CH2 TRP A 47 19.576 38.509 31.602 1.00 0.00 C ATOM 0 H TRP A 47 22.139 37.552 24.016 1.00 0.00 H new ATOM 0 HA TRP A 47 21.944 36.553 26.806 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.740 39.008 26.623 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.521 38.824 25.377 1.00 0.00 H new ATOM 0 HD1 TRP A 47 18.090 38.141 26.105 1.00 0.00 H new ATOM 0 HE1 TRP A 47 16.816 38.350 28.337 1.00 0.00 H new ATOM 0 HE3 TRP A 47 22.080 38.557 29.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 17.468 38.374 31.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.724 38.661 31.728 1.00 0.00 H new ATOM 0 HH2 TRP A 47 19.429 38.533 32.672 1.00 0.00 H new ATOM 740 N CYS A 48 20.263 34.905 26.057 1.00 0.00 N ATOM 741 CA CYS A 48 19.310 33.860 25.702 1.00 0.00 C ATOM 742 C CYS A 48 17.876 34.170 26.180 1.00 0.00 C ATOM 743 O CYS A 48 17.675 34.757 27.247 1.00 0.00 O ATOM 744 CB CYS A 48 19.781 32.549 26.331 1.00 0.00 C ATOM 745 SG CYS A 48 21.384 31.874 25.807 1.00 0.00 S ATOM 0 H CYS A 48 20.812 34.675 26.886 1.00 0.00 H new ATOM 0 HA CYS A 48 19.274 33.793 24.615 1.00 0.00 H new ATOM 0 HB2 CYS A 48 19.817 32.692 27.411 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.021 31.793 26.134 1.00 0.00 H new ATOM 750 N THR A 49 16.875 33.687 25.438 1.00 0.00 N ATOM 751 CA THR A 49 15.435 33.836 25.722 1.00 0.00 C ATOM 752 C THR A 49 14.669 32.515 25.587 1.00 0.00 C ATOM 753 O THR A 49 15.153 31.553 24.982 1.00 0.00 O ATOM 754 CB THR A 49 14.774 34.916 24.842 1.00 0.00 C ATOM 755 OG1 THR A 49 14.880 34.622 23.467 1.00 0.00 O ATOM 756 CG2 THR A 49 15.372 36.303 25.028 1.00 0.00 C ATOM 0 H THR A 49 17.049 33.157 24.584 1.00 0.00 H new ATOM 0 HA THR A 49 15.377 34.157 26.762 1.00 0.00 H new ATOM 0 HB THR A 49 13.734 34.913 25.169 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.447 35.331 22.947 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.858 37.011 24.378 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.255 36.613 26.066 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.432 36.280 24.773 1.00 0.00 H new ATOM 764 N HIS A 50 13.461 32.471 26.167 1.00 0.00 N ATOM 765 CA HIS A 50 12.530 31.330 26.141 1.00 0.00 C ATOM 766 C HIS A 50 13.112 30.033 26.738 1.00 0.00 C ATOM 767 O HIS A 50 12.770 28.926 26.309 1.00 0.00 O ATOM 768 CB HIS A 50 11.912 31.179 24.738 1.00 0.00 C ATOM 769 CG HIS A 50 11.252 32.445 24.247 1.00 0.00 C ATOM 770 ND1 HIS A 50 10.048 32.955 24.737 1.00 0.00 N ATOM 771 CD2 HIS A 50 11.758 33.323 23.333 1.00 0.00 C ATOM 772 CE1 HIS A 50 9.873 34.137 24.124 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.874 34.377 23.265 1.00 0.00 N ATOM 0 H HIS A 50 13.088 33.263 26.690 1.00 0.00 H new ATOM 0 HA HIS A 50 11.709 31.552 26.823 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.690 30.884 24.034 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.176 30.375 24.755 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.674 33.213 22.772 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.041 34.803 24.299 1.00 0.00 H new ATOM 0 HE2 HIS A 50 10.965 35.197 22.666 1.00 0.00 H new ATOM 781 N LEU A 51 14.015 30.170 27.713 1.00 0.00 N ATOM 782 CA LEU A 51 14.794 29.082 28.308 1.00 0.00 C ATOM 783 C LEU A 51 13.973 28.137 29.196 1.00 0.00 C ATOM 784 O LEU A 51 13.024 28.541 29.868 1.00 0.00 O ATOM 785 CB LEU A 51 15.923 29.671 29.179 1.00 0.00 C ATOM 786 CG LEU A 51 17.043 30.411 28.432 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.025 30.967 29.466 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.803 29.464 27.501 1.00 0.00 C ATOM 0 H LEU A 51 14.231 31.078 28.125 1.00 0.00 H new ATOM 0 HA LEU A 51 15.176 28.502 27.468 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.477 30.360 29.897 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.372 28.860 29.752 1.00 0.00 H new ATOM 0 HG LEU A 51 16.601 31.208 27.834 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.829 31.497 28.956 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.502 31.654 30.131 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.444 30.146 30.048 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.590 30.015 26.985 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.247 28.658 28.085 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.114 29.044 26.768 1.00 0.00 H new ATOM 800 N TYR A 52 14.412 26.880 29.266 1.00 0.00 N ATOM 801 CA TYR A 52 13.951 25.916 30.263 1.00 0.00 C ATOM 802 C TYR A 52 14.361 26.335 31.688 1.00 0.00 C ATOM 803 O TYR A 52 15.375 27.000 31.910 1.00 0.00 O ATOM 804 CB TYR A 52 14.438 24.494 29.916 1.00 0.00 C ATOM 805 CG TYR A 52 15.929 24.176 29.750 1.00 0.00 C ATOM 806 CD1 TYR A 52 16.962 25.132 29.887 1.00 0.00 C ATOM 807 CD2 TYR A 52 16.276 22.850 29.420 1.00 0.00 C ATOM 808 CE1 TYR A 52 18.311 24.762 29.703 1.00 0.00 C ATOM 809 CE2 TYR A 52 17.622 22.475 29.229 1.00 0.00 C ATOM 810 CZ TYR A 52 18.645 23.434 29.370 1.00 0.00 C ATOM 811 OH TYR A 52 19.949 23.095 29.182 1.00 0.00 O ATOM 0 H TYR A 52 15.106 26.499 28.623 1.00 0.00 H new ATOM 0 HA TYR A 52 12.861 25.904 30.242 1.00 0.00 H new ATOM 0 HB2 TYR A 52 14.057 23.830 30.692 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.948 24.210 28.985 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.716 26.154 30.135 1.00 0.00 H new ATOM 0 HD2 TYR A 52 15.498 22.109 29.312 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.091 25.500 29.818 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.868 21.455 28.975 1.00 0.00 H new ATOM 0 HH TYR A 52 20.011 22.143 28.959 1.00 0.00 H new ATOM 821 N GLU A 53 13.609 25.882 32.690 1.00 0.00 N ATOM 822 CA GLU A 53 13.917 26.077 34.113 1.00 0.00 C ATOM 823 C GLU A 53 15.268 25.455 34.534 1.00 0.00 C ATOM 824 O GLU A 53 15.833 25.816 35.569 1.00 0.00 O ATOM 825 CB GLU A 53 12.747 25.543 34.967 1.00 0.00 C ATOM 826 CG GLU A 53 12.467 24.026 34.882 1.00 0.00 C ATOM 827 CD GLU A 53 11.450 23.613 33.803 1.00 0.00 C ATOM 828 OE1 GLU A 53 10.682 22.647 34.039 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.442 24.175 32.682 1.00 0.00 O1- ATOM 0 H GLU A 53 12.748 25.357 32.535 1.00 0.00 H new ATOM 0 HA GLU A 53 14.031 27.147 34.287 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.942 25.796 36.009 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.841 26.074 34.674 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.407 23.508 34.691 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.105 23.683 35.851 1.00 0.00 H new ATOM 836 N GLN A 54 15.821 24.552 33.716 1.00 0.00 N ATOM 837 CA GLN A 54 17.060 23.813 33.985 1.00 0.00 C ATOM 838 C GLN A 54 18.350 24.624 33.722 1.00 0.00 C ATOM 839 O GLN A 54 19.433 24.183 34.121 1.00 0.00 O ATOM 840 CB GLN A 54 17.033 22.478 33.213 1.00 0.00 C ATOM 841 CG GLN A 54 15.722 21.698 33.461 1.00 0.00 C ATOM 842 CD GLN A 54 15.771 20.215 33.106 1.00 0.00 C ATOM 843 OE1 GLN A 54 16.756 19.663 32.633 1.00 0.00 O ATOM 844 NE2 GLN A 54 14.699 19.492 33.332 1.00 0.00 N ATOM 0 H GLN A 54 15.404 24.307 32.818 1.00 0.00 H new ATOM 0 HA GLN A 54 17.095 23.609 35.055 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.144 22.673 32.146 1.00 0.00 H new ATOM 0 HB3 GLN A 54 17.883 21.866 33.515 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.454 21.795 34.513 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.924 22.167 32.885 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.864 19.927 33.726 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.701 18.496 33.114 1.00 0.00 H new ATOM 853 N ALA A 55 18.259 25.820 33.123 1.00 0.00 N ATOM 854 CA ALA A 55 19.403 26.700 32.833 1.00 0.00 C ATOM 855 C ALA A 55 20.112 27.246 34.096 1.00 0.00 C ATOM 856 O ALA A 55 19.469 27.431 35.137 1.00 0.00 O ATOM 857 CB ALA A 55 18.908 27.857 31.955 1.00 0.00 C ATOM 0 H ALA A 55 17.368 26.212 32.819 1.00 0.00 H new ATOM 0 HA ALA A 55 20.155 26.103 32.316 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.740 28.523 31.727 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.497 27.459 31.027 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.134 28.412 32.486 1.00 0.00 H new ATOM 863 N VAL A 56 21.421 27.534 34.011 1.00 0.00 N ATOM 864 CA VAL A 56 22.234 28.144 35.089 1.00 0.00 C ATOM 865 C VAL A 56 23.415 28.961 34.536 1.00 0.00 C ATOM 866 O VAL A 56 24.116 28.503 33.630 1.00 0.00 O ATOM 867 CB VAL A 56 22.685 27.074 36.105 1.00 0.00 C ATOM 868 CG1 VAL A 56 23.691 26.063 35.551 1.00 0.00 C ATOM 869 CG2 VAL A 56 23.274 27.701 37.374 1.00 0.00 C ATOM 0 H VAL A 56 21.963 27.345 33.168 1.00 0.00 H new ATOM 0 HA VAL A 56 21.601 28.855 35.620 1.00 0.00 H new ATOM 0 HB VAL A 56 21.768 26.534 36.341 1.00 0.00 H new ATOM 0 HG11 VAL A 56 23.954 25.348 36.330 1.00 0.00 H new ATOM 0 HG12 VAL A 56 23.248 25.534 34.707 1.00 0.00 H new ATOM 0 HG13 VAL A 56 24.588 26.586 35.221 1.00 0.00 H new ATOM 0 HG21 VAL A 56 23.579 26.912 38.062 1.00 0.00 H new ATOM 0 HG22 VAL A 56 24.140 28.308 37.111 1.00 0.00 H new ATOM 0 HG23 VAL A 56 22.522 28.329 37.852 1.00 0.00 H new ATOM 879 N VAL A 57 23.626 30.170 35.079 1.00 0.00 N ATOM 880 CA VAL A 57 24.553 31.192 34.545 1.00 0.00 C ATOM 881 C VAL A 57 25.413 31.865 35.629 1.00 0.00 C ATOM 882 O VAL A 57 26.640 31.772 35.585 1.00 0.00 O ATOM 883 CB VAL A 57 23.768 32.255 33.742 1.00 0.00 C ATOM 884 CG1 VAL A 57 24.685 33.328 33.146 1.00 0.00 C ATOM 885 CG2 VAL A 57 22.955 31.638 32.595 1.00 0.00 C ATOM 0 H VAL A 57 23.146 30.477 35.925 1.00 0.00 H new ATOM 0 HA VAL A 57 25.247 30.669 33.887 1.00 0.00 H new ATOM 0 HB VAL A 57 23.092 32.711 34.465 1.00 0.00 H new ATOM 0 HG11 VAL A 57 24.087 34.051 32.592 1.00 0.00 H new ATOM 0 HG12 VAL A 57 25.218 33.838 33.949 1.00 0.00 H new ATOM 0 HG13 VAL A 57 25.403 32.860 32.473 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.422 32.425 32.062 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.627 31.125 31.907 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.237 30.925 33.000 1.00 0.00 H new ATOM 895 N TRP A 58 24.805 32.560 36.599 1.00 0.00 N ATOM 896 CA TRP A 58 25.535 33.261 37.679 1.00 0.00 C ATOM 897 C TRP A 58 25.954 32.382 38.884 1.00 0.00 C ATOM 898 O TRP A 58 27.009 32.660 39.467 1.00 0.00 O ATOM 899 CB TRP A 58 24.750 34.504 38.128 1.00 0.00 C ATOM 900 CG TRP A 58 24.245 35.349 36.998 1.00 0.00 C ATOM 901 CD1 TRP A 58 25.008 36.168 36.238 1.00 0.00 C ATOM 902 CD2 TRP A 58 22.908 35.392 36.414 1.00 0.00 C ATOM 903 NE1 TRP A 58 24.247 36.698 35.217 1.00 0.00 N ATOM 904 CE2 TRP A 58 22.949 36.223 35.253 1.00 0.00 C ATOM 905 CE3 TRP A 58 21.658 34.814 36.743 1.00 0.00 C ATOM 906 CZ2 TRP A 58 21.834 36.425 34.435 1.00 0.00 C ATOM 907 CZ3 TRP A 58 20.525 35.028 35.936 1.00 0.00 C ATOM 908 CH2 TRP A 58 20.608 35.821 34.775 1.00 0.00 C ATOM 0 H TRP A 58 23.792 32.656 36.663 1.00 0.00 H new ATOM 0 HA TRP A 58 26.485 33.562 37.238 1.00 0.00 H new ATOM 0 HB2 TRP A 58 23.903 34.186 38.736 1.00 0.00 H new ATOM 0 HB3 TRP A 58 25.390 35.114 38.766 1.00 0.00 H new ATOM 0 HD1 TRP A 58 26.055 36.375 36.405 1.00 0.00 H new ATOM 0 HE1 TRP A 58 24.598 37.358 34.523 1.00 0.00 H new ATOM 0 HE3 TRP A 58 21.573 34.199 37.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 21.912 37.039 33.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 19.582 34.579 36.210 1.00 0.00 H new ATOM 0 HH2 TRP A 58 19.739 35.965 34.151 1.00 0.00 H new ATOM 919 N PRO A 59 25.221 31.309 39.259 1.00 0.00 N ATOM 920 CA PRO A 59 25.608 30.366 40.323 1.00 0.00 C ATOM 921 C PRO A 59 26.799 29.429 40.028 1.00 0.00 C ATOM 922 O PRO A 59 26.958 28.421 40.724 1.00 0.00 O ATOM 923 CB PRO A 59 24.344 29.563 40.662 1.00 0.00 C ATOM 924 CG PRO A 59 23.209 30.477 40.219 1.00 0.00 C ATOM 925 CD PRO A 59 23.803 31.126 38.978 1.00 0.00 C ATOM 0 HA PRO A 59 25.987 30.956 41.157 1.00 0.00 H new ATOM 0 HB2 PRO A 59 24.321 28.610 40.133 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.285 29.338 41.727 1.00 0.00 H new ATOM 0 HG2 PRO A 59 22.299 29.920 39.994 1.00 0.00 H new ATOM 0 HG3 PRO A 59 22.953 31.212 40.983 1.00 0.00 H new ATOM 0 HD2 PRO A 59 23.657 30.496 38.101 1.00 0.00 H new ATOM 0 HD3 PRO A 59 23.321 32.081 38.768 1.00 0.00 H new ATOM 933 N LEU A 60 27.628 29.712 39.015 1.00 0.00 N ATOM 934 CA LEU A 60 28.880 28.985 38.753 1.00 0.00 C ATOM 935 C LEU A 60 29.869 29.225 39.913 1.00 0.00 C ATOM 936 O LEU A 60 30.253 30.375 40.144 1.00 0.00 O ATOM 937 CB LEU A 60 29.480 29.441 37.405 1.00 0.00 C ATOM 938 CG LEU A 60 29.070 28.582 36.192 1.00 0.00 C ATOM 939 CD1 LEU A 60 27.564 28.346 36.075 1.00 0.00 C ATOM 940 CD2 LEU A 60 29.562 29.251 34.908 1.00 0.00 C ATOM 0 H LEU A 60 27.447 30.460 38.346 1.00 0.00 H new ATOM 0 HA LEU A 60 28.678 27.916 38.689 1.00 0.00 H new ATOM 0 HB2 LEU A 60 29.180 30.472 37.220 1.00 0.00 H new ATOM 0 HB3 LEU A 60 30.567 29.435 37.486 1.00 0.00 H new ATOM 0 HG LEU A 60 29.532 27.606 36.342 1.00 0.00 H new ATOM 0 HD11 LEU A 60 27.359 27.734 35.197 1.00 0.00 H new ATOM 0 HD12 LEU A 60 27.206 27.832 36.967 1.00 0.00 H new ATOM 0 HD13 LEU A 60 27.052 29.303 35.977 1.00 0.00 H new ATOM 0 HD21 LEU A 60 29.273 28.646 34.049 1.00 0.00 H new ATOM 0 HD22 LEU A 60 29.116 30.242 34.820 1.00 0.00 H new ATOM 0 HD23 LEU A 60 30.648 29.343 34.939 1.00 0.00 H new ATOM 952 N PRO A 61 30.291 28.188 40.659 1.00 0.00 N ATOM 953 CA PRO A 61 31.051 28.380 41.893 1.00 0.00 C ATOM 954 C PRO A 61 32.519 28.784 41.689 1.00 0.00 C ATOM 955 O PRO A 61 33.073 29.429 42.579 1.00 0.00 O ATOM 956 CB PRO A 61 30.939 27.039 42.631 1.00 0.00 C ATOM 957 CG PRO A 61 30.763 26.016 41.514 1.00 0.00 C ATOM 958 CD PRO A 61 29.923 26.786 40.502 1.00 0.00 C ATOM 0 HA PRO A 61 30.641 29.220 42.454 1.00 0.00 H new ATOM 0 HB2 PRO A 61 31.831 26.834 43.223 1.00 0.00 H new ATOM 0 HB3 PRO A 61 30.092 27.031 43.317 1.00 0.00 H new ATOM 0 HG2 PRO A 61 31.719 25.702 41.095 1.00 0.00 H new ATOM 0 HG3 PRO A 61 30.257 25.116 41.862 1.00 0.00 H new ATOM 0 HD2 PRO A 61 30.122 26.442 39.487 1.00 0.00 H new ATOM 0 HD3 PRO A 61 28.859 26.639 40.686 1.00 0.00 H new ATOM 966 N ASN A 62 33.161 28.436 40.562 1.00 0.00 N ATOM 967 CA ASN A 62 34.620 28.538 40.423 1.00 0.00 C ATOM 968 C ASN A 62 35.177 28.983 39.058 1.00 0.00 C ATOM 969 O ASN A 62 36.246 29.596 39.028 1.00 0.00 O ATOM 970 CB ASN A 62 35.169 27.144 40.741 1.00 0.00 C ATOM 971 CG ASN A 62 34.888 26.701 42.164 1.00 0.00 C ATOM 972 OD1 ASN A 62 35.231 27.365 43.135 1.00 0.00 O ATOM 973 ND2 ASN A 62 34.199 25.598 42.319 1.00 0.00 N ATOM 0 H ASN A 62 32.688 28.080 39.731 1.00 0.00 H new ATOM 0 HA ASN A 62 34.935 29.335 41.097 1.00 0.00 H new ATOM 0 HB2 ASN A 62 34.733 26.423 40.050 1.00 0.00 H new ATOM 0 HB3 ASN A 62 36.246 27.137 40.571 1.00 0.00 H new ATOM 0 HD21 ASN A 62 33.943 25.284 43.255 1.00 0.00 H new ATOM 0 HD22 ASN A 62 33.919 25.053 41.504 1.00 0.00 H new ATOM 980 N LYS A 63 34.524 28.647 37.940 1.00 0.00 N ATOM 981 CA LYS A 63 35.001 28.964 36.575 1.00 0.00 C ATOM 982 C LYS A 63 35.003 30.483 36.302 1.00 0.00 C ATOM 983 O LYS A 63 33.948 31.082 36.104 1.00 0.00 O ATOM 984 CB LYS A 63 34.173 28.186 35.527 1.00 0.00 C ATOM 985 CG LYS A 63 34.861 26.915 34.994 1.00 0.00 C ATOM 986 CD LYS A 63 34.997 25.761 35.995 1.00 0.00 C ATOM 987 CE LYS A 63 35.625 24.541 35.303 1.00 0.00 C ATOM 988 NZ LYS A 63 35.506 23.314 36.126 1.00 0.00 N1+ ATOM 0 H LYS A 63 33.638 28.141 37.950 1.00 0.00 H new ATOM 0 HA LYS A 63 36.039 28.641 36.494 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.216 27.909 35.970 1.00 0.00 H new ATOM 0 HB3 LYS A 63 33.957 28.847 34.688 1.00 0.00 H new ATOM 0 HG2 LYS A 63 34.302 26.557 34.129 1.00 0.00 H new ATOM 0 HG3 LYS A 63 35.856 27.184 34.641 1.00 0.00 H new ATOM 0 HD2 LYS A 63 35.615 26.070 36.838 1.00 0.00 H new ATOM 0 HD3 LYS A 63 34.018 25.499 36.396 1.00 0.00 H new ATOM 0 HE2 LYS A 63 35.140 24.380 34.340 1.00 0.00 H new ATOM 0 HE3 LYS A 63 36.677 24.741 35.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 35.942 22.515 35.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 35.991 23.457 37.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 34.501 23.108 36.299 1.00 0.00 H new ATOM 1002 N ARG A 64 36.181 31.121 36.287 1.00 0.00 N ATOM 1003 CA ARG A 64 36.386 32.586 36.152 1.00 0.00 C ATOM 1004 C ARG A 64 37.165 32.953 34.877 1.00 0.00 C ATOM 1005 O ARG A 64 38.083 32.230 34.485 1.00 0.00 O ATOM 1006 CB ARG A 64 37.097 33.129 37.414 1.00 0.00 C ATOM 1007 CG ARG A 64 36.207 33.772 38.497 1.00 0.00 C ATOM 1008 CD ARG A 64 35.241 32.858 39.262 1.00 0.00 C ATOM 1009 NE ARG A 64 34.002 32.576 38.512 1.00 0.00 N ATOM 1010 CZ ARG A 64 32.829 32.240 39.007 1.00 0.00 C ATOM 1011 NH1 ARG A 64 32.618 32.006 40.265 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 31.797 32.123 38.235 1.00 0.00 N ATOM 0 H ARG A 64 37.063 30.615 36.372 1.00 0.00 H new ATOM 0 HA ARG A 64 35.407 33.055 36.060 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.648 32.308 37.872 1.00 0.00 H new ATOM 0 HB3 ARG A 64 37.832 33.868 37.097 1.00 0.00 H new ATOM 0 HG2 ARG A 64 36.860 34.254 39.225 1.00 0.00 H new ATOM 0 HG3 ARG A 64 35.620 34.560 38.024 1.00 0.00 H new ATOM 0 HD2 ARG A 64 35.743 31.918 39.491 1.00 0.00 H new ATOM 0 HD3 ARG A 64 34.986 33.323 40.214 1.00 0.00 H new ATOM 0 HE ARG A 64 34.061 32.650 37.496 1.00 0.00 H new ATOM 0 HH11 ARG A 64 33.385 32.079 40.933 1.00 0.00 H new ATOM 0 HH12 ARG A 64 31.685 31.749 40.586 1.00 0.00 H new ATOM 0 HH21 ARG A 64 31.888 32.292 37.233 1.00 0.00 H new ATOM 0 HH22 ARG A 64 30.893 31.862 38.628 1.00 0.00 H new ATOM 1026 N CYS A 65 36.797 34.067 34.234 1.00 0.00 N ATOM 1027 CA CYS A 65 37.387 34.558 32.975 1.00 0.00 C ATOM 1028 C CYS A 65 37.026 36.037 32.704 1.00 0.00 C ATOM 1029 O CYS A 65 35.864 36.436 32.857 1.00 0.00 O ATOM 1030 CB CYS A 65 36.886 33.668 31.825 1.00 0.00 C ATOM 1031 SG CYS A 65 37.345 34.156 30.139 1.00 0.00 S ATOM 0 H CYS A 65 36.056 34.674 34.584 1.00 0.00 H new ATOM 0 HA CYS A 65 38.473 34.507 33.053 1.00 0.00 H new ATOM 0 HB2 CYS A 65 37.254 32.656 31.996 1.00 0.00 H new ATOM 0 HB3 CYS A 65 35.798 33.625 31.880 1.00 0.00 H new ATOM 1036 N LYS A 66 37.989 36.848 32.242 1.00 0.00 N ATOM 1037 CA LYS A 66 37.824 38.293 31.961 1.00 0.00 C ATOM 1038 C LYS A 66 36.837 38.582 30.821 1.00 0.00 C ATOM 1039 O LYS A 66 36.146 39.601 30.848 1.00 0.00 O ATOM 1040 CB LYS A 66 39.220 38.885 31.653 1.00 0.00 C ATOM 1041 CG LYS A 66 39.263 40.387 31.300 1.00 0.00 C ATOM 1042 CD LYS A 66 38.791 41.330 32.417 1.00 0.00 C ATOM 1043 CE LYS A 66 39.807 41.402 33.562 1.00 0.00 C ATOM 1044 NZ LYS A 66 39.362 42.311 34.641 1.00 0.00 N1+ ATOM 0 H LYS A 66 38.932 36.513 32.046 1.00 0.00 H new ATOM 0 HA LYS A 66 37.390 38.767 32.841 1.00 0.00 H new ATOM 0 HB2 LYS A 66 39.861 38.719 32.519 1.00 0.00 H new ATOM 0 HB3 LYS A 66 39.653 38.326 30.824 1.00 0.00 H new ATOM 0 HG2 LYS A 66 40.285 40.652 31.029 1.00 0.00 H new ATOM 0 HG3 LYS A 66 38.645 40.555 30.418 1.00 0.00 H new ATOM 0 HD2 LYS A 66 38.631 42.328 32.008 1.00 0.00 H new ATOM 0 HD3 LYS A 66 37.831 40.986 32.803 1.00 0.00 H new ATOM 0 HE2 LYS A 66 39.964 40.404 33.971 1.00 0.00 H new ATOM 0 HE3 LYS A 66 40.767 41.742 33.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 40.078 42.331 35.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 39.236 43.270 34.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 38.459 41.973 35.030 1.00 0.00 H new HETATM 1058 N NH2 A 67 36.743 37.713 29.825 1.00 0.00 N TER 1061 NH2 A 67