USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 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 Single : A 5 THR OG1 : rot 33:sc= 0.285 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 71:sc= 1.26 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.68) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0458 X(o=-0.046,f=5e-05) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.944 X(o=-0.94,f=-0.64) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot -25:sc= 0.893 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.693 -7.000 -5.896 1.00 4.33 N ATOM 60 CA THR A 5 8.299 -6.603 -5.730 1.00 11.30 C ATOM 61 C THR A 5 7.973 -6.367 -4.259 1.00 21.50 C ATOM 62 O THR A 5 7.208 -5.464 -3.919 1.00 61.40 O ATOM 63 CB THR A 5 7.370 -7.674 -6.305 1.00 52.40 C ATOM 64 OG1 THR A 5 7.851 -8.137 -7.554 1.00 45.10 O ATOM 65 CG2 THR A 5 5.952 -7.188 -6.510 1.00 74.00 C ATOM 0 HA THR A 5 8.145 -5.670 -6.272 1.00 11.30 H new ATOM 0 HB THR A 5 7.359 -8.475 -5.565 1.00 52.40 H new ATOM 0 HG1 THR A 5 8.831 -8.110 -7.558 1.00 45.10 H new ATOM 0 HG21 THR A 5 5.346 -7.996 -6.920 1.00 74.00 H new ATOM 0 HG22 THR A 5 5.535 -6.870 -5.555 1.00 74.00 H new ATOM 0 HG23 THR A 5 5.952 -6.347 -7.204 1.00 74.00 H new ATOM 73 N LEU A 6 8.559 -7.184 -3.390 1.00 44.50 N ATOM 74 CA LEU A 6 8.332 -7.064 -1.955 1.00 5.15 C ATOM 75 C LEU A 6 8.984 -5.800 -1.404 1.00 32.30 C ATOM 76 O LEU A 6 8.406 -5.106 -0.567 1.00 5.12 O ATOM 77 CB LEU A 6 8.878 -8.296 -1.227 1.00 54.30 C ATOM 78 CG LEU A 6 7.831 -9.349 -0.860 1.00 43.40 C ATOM 79 CD1 LEU A 6 6.897 -8.819 0.217 1.00 73.10 C ATOM 80 CD2 LEU A 6 7.044 -9.770 -2.091 1.00 71.20 C ATOM 0 H LEU A 6 9.195 -7.936 -3.655 1.00 44.50 H new ATOM 0 HA LEU A 6 7.257 -6.998 -1.786 1.00 5.15 H new ATOM 0 HB2 LEU A 6 9.636 -8.764 -1.855 1.00 54.30 H new ATOM 0 HB3 LEU A 6 9.377 -7.969 -0.315 1.00 54.30 H new ATOM 0 HG LEU A 6 8.346 -10.225 -0.466 1.00 43.40 H new ATOM 0 HD11 LEU A 6 6.159 -9.581 0.466 1.00 73.10 H new ATOM 0 HD12 LEU A 6 7.474 -8.568 1.107 1.00 73.10 H new ATOM 0 HD13 LEU A 6 6.388 -7.927 -0.149 1.00 73.10 H new ATOM 0 HD21 LEU A 6 6.304 -10.520 -1.811 1.00 71.20 H new ATOM 0 HD22 LEU A 6 6.539 -8.902 -2.514 1.00 71.20 H new ATOM 0 HD23 LEU A 6 7.724 -10.191 -2.831 1.00 71.20 H new ATOM 92 N GLN A 7 10.190 -5.507 -1.878 1.00 12.40 N ATOM 93 CA GLN A 7 10.921 -4.327 -1.434 1.00 4.45 C ATOM 94 C GLN A 7 10.216 -3.048 -1.877 1.00 63.40 C ATOM 95 O GLN A 7 10.080 -2.103 -1.100 1.00 75.10 O ATOM 96 CB GLN A 7 12.352 -4.354 -1.977 1.00 2.42 C ATOM 97 CG GLN A 7 13.406 -4.586 -0.906 1.00 73.20 C ATOM 98 CD GLN A 7 14.239 -3.350 -0.629 1.00 74.30 C ATOM 99 OE1 GLN A 7 15.374 -3.235 -1.094 1.00 45.30 O ATOM 100 NE2 GLN A 7 13.679 -2.417 0.132 1.00 12.20 N ATOM 0 H GLN A 7 10.682 -6.072 -2.570 1.00 12.40 H new ATOM 0 HA GLN A 7 10.954 -4.339 -0.345 1.00 4.45 H new ATOM 0 HB2 GLN A 7 12.431 -5.139 -2.729 1.00 2.42 H new ATOM 0 HB3 GLN A 7 12.559 -3.409 -2.480 1.00 2.42 H new ATOM 0 HG2 GLN A 7 12.918 -4.905 0.015 1.00 73.20 H new ATOM 0 HG3 GLN A 7 14.062 -5.399 -1.217 1.00 73.20 H new ATOM 0 HE21 GLN A 7 12.736 -2.554 0.496 1.00 12.20 H new ATOM 0 HE22 GLN A 7 14.192 -1.563 0.353 1.00 12.20 H new ATOM 109 N LYS A 8 9.770 -3.026 -3.128 1.00 15.30 N ATOM 110 CA LYS A 8 9.080 -1.864 -3.673 1.00 72.30 C ATOM 111 C LYS A 8 7.789 -1.586 -2.908 1.00 2.44 C ATOM 112 O LYS A 8 7.471 -0.437 -2.604 1.00 70.50 O ATOM 113 CB LYS A 8 8.772 -2.076 -5.157 1.00 64.30 C ATOM 114 CG LYS A 8 9.959 -1.807 -6.069 1.00 52.40 C ATOM 115 CD LYS A 8 9.520 -1.194 -7.389 1.00 51.40 C ATOM 116 CE LYS A 8 10.291 -1.782 -8.561 1.00 72.30 C ATOM 117 NZ LYS A 8 11.415 -0.903 -8.984 1.00 22.40 N ATOM 0 H LYS A 8 9.874 -3.800 -3.784 1.00 15.30 H new ATOM 0 HA LYS A 8 9.737 -1.001 -3.565 1.00 72.30 H new ATOM 0 HB2 LYS A 8 8.434 -3.102 -5.307 1.00 64.30 H new ATOM 0 HB3 LYS A 8 7.948 -1.424 -5.445 1.00 64.30 H new ATOM 0 HG2 LYS A 8 10.658 -1.136 -5.570 1.00 52.40 H new ATOM 0 HG3 LYS A 8 10.492 -2.739 -6.259 1.00 52.40 H new ATOM 0 HD2 LYS A 8 8.453 -1.363 -7.533 1.00 51.40 H new ATOM 0 HD3 LYS A 8 9.670 -0.115 -7.358 1.00 51.40 H new ATOM 0 HE2 LYS A 8 10.681 -2.762 -8.284 1.00 72.30 H new ATOM 0 HE3 LYS A 8 9.614 -1.934 -9.401 1.00 72.30 H new ATOM 0 HZ1 LYS A 8 11.915 -1.340 -9.785 1.00 22.40 H new ATOM 0 HZ2 LYS A 8 11.041 0.024 -9.273 1.00 22.40 H new ATOM 0 HZ3 LYS A 8 12.075 -0.778 -8.190 1.00 22.40 H new ATOM 131 N ALA A 9 7.050 -2.647 -2.600 1.00 51.20 N ATOM 132 CA ALA A 9 5.795 -2.519 -1.871 1.00 2.42 C ATOM 133 C ALA A 9 6.011 -1.860 -0.512 1.00 24.40 C ATOM 134 O ALA A 9 5.291 -0.935 -0.139 1.00 13.20 O ATOM 135 CB ALA A 9 5.143 -3.883 -1.700 1.00 1.53 C ATOM 0 H ALA A 9 7.300 -3.605 -2.845 1.00 51.20 H new ATOM 0 HA ALA A 9 5.131 -1.880 -2.453 1.00 2.42 H new ATOM 0 HB1 ALA A 9 4.206 -3.773 -1.154 1.00 1.53 H new ATOM 0 HB2 ALA A 9 4.943 -4.316 -2.680 1.00 1.53 H new ATOM 0 HB3 ALA A 9 5.812 -4.539 -1.144 1.00 1.53 H new ATOM 141 N ILE A 10 7.007 -2.345 0.222 1.00 32.30 N ATOM 142 CA ILE A 10 7.317 -1.804 1.540 1.00 42.40 C ATOM 143 C ILE A 10 7.783 -0.354 1.445 1.00 4.14 C ATOM 144 O ILE A 10 7.579 0.435 2.368 1.00 55.30 O ATOM 145 CB ILE A 10 8.404 -2.636 2.248 1.00 21.10 C ATOM 146 CG1 ILE A 10 8.031 -4.120 2.239 1.00 22.50 C ATOM 147 CG2 ILE A 10 8.606 -2.146 3.674 1.00 42.40 C ATOM 148 CD1 ILE A 10 9.220 -5.041 2.067 1.00 54.00 C ATOM 0 H ILE A 10 7.613 -3.111 -0.073 1.00 32.30 H new ATOM 0 HA ILE A 10 6.398 -1.849 2.124 1.00 42.40 H new ATOM 0 HB ILE A 10 9.341 -2.512 1.706 1.00 21.10 H new ATOM 0 HG12 ILE A 10 7.524 -4.365 3.172 1.00 22.50 H new ATOM 0 HG13 ILE A 10 7.320 -4.303 1.433 1.00 22.50 H new ATOM 0 HG21 ILE A 10 9.377 -2.745 4.159 1.00 42.40 H new ATOM 0 HG22 ILE A 10 8.914 -1.101 3.659 1.00 42.40 H new ATOM 0 HG23 ILE A 10 7.672 -2.241 4.227 1.00 42.40 H new ATOM 0 HD11 ILE A 10 8.881 -6.077 2.070 1.00 54.00 H new ATOM 0 HD12 ILE A 10 9.715 -4.824 1.120 1.00 54.00 H new ATOM 0 HD13 ILE A 10 9.922 -4.886 2.887 1.00 54.00 H new ATOM 160 N ASP A 11 8.409 -0.010 0.324 1.00 22.30 N ATOM 161 CA ASP A 11 8.905 1.346 0.111 1.00 33.30 C ATOM 162 C ASP A 11 7.751 2.333 -0.037 1.00 73.30 C ATOM 163 O ASP A 11 7.872 3.502 0.325 1.00 3.45 O ATOM 164 CB ASP A 11 9.795 1.395 -1.132 1.00 54.10 C ATOM 165 CG ASP A 11 10.978 2.328 -0.958 1.00 23.10 C ATOM 166 OD1 ASP A 11 10.767 3.559 -0.950 1.00 24.40 O ATOM 167 OD2 ASP A 11 12.115 1.828 -0.831 1.00 44.00 O ATOM 0 H ASP A 11 8.585 -0.650 -0.450 1.00 22.30 H new ATOM 0 HA ASP A 11 9.493 1.632 0.983 1.00 33.30 H new ATOM 0 HB2 ASP A 11 10.157 0.392 -1.357 1.00 54.10 H new ATOM 0 HB3 ASP A 11 9.202 1.719 -1.988 1.00 54.10 H new ATOM 172 N LEU A 12 6.633 1.853 -0.572 1.00 3.14 N ATOM 173 CA LEU A 12 5.458 2.695 -0.769 1.00 72.20 C ATOM 174 C LEU A 12 4.745 2.956 0.555 1.00 73.50 C ATOM 175 O LEU A 12 4.371 4.089 0.857 1.00 25.00 O ATOM 176 CB LEU A 12 4.494 2.037 -1.760 1.00 53.50 C ATOM 177 CG LEU A 12 4.732 2.393 -3.228 1.00 13.30 C ATOM 178 CD1 LEU A 12 4.513 3.880 -3.459 1.00 53.50 C ATOM 179 CD2 LEU A 12 6.135 1.986 -3.654 1.00 63.20 C ATOM 0 H LEU A 12 6.516 0.887 -0.877 1.00 3.14 H new ATOM 0 HA LEU A 12 5.791 3.650 -1.175 1.00 72.20 H new ATOM 0 HB2 LEU A 12 4.565 0.955 -1.648 1.00 53.50 H new ATOM 0 HB3 LEU A 12 3.475 2.319 -1.494 1.00 53.50 H new ATOM 0 HG LEU A 12 4.015 1.843 -3.837 1.00 13.30 H new ATOM 0 HD11 LEU A 12 4.687 4.115 -4.509 1.00 53.50 H new ATOM 0 HD12 LEU A 12 3.489 4.143 -3.193 1.00 53.50 H new ATOM 0 HD13 LEU A 12 5.206 4.450 -2.840 1.00 53.50 H new ATOM 0 HD21 LEU A 12 6.287 2.247 -4.701 1.00 63.20 H new ATOM 0 HD22 LEU A 12 6.868 2.509 -3.040 1.00 63.20 H new ATOM 0 HD23 LEU A 12 6.256 0.910 -3.527 1.00 63.20 H new ATOM 191 N VAL A 13 4.561 1.900 1.340 1.00 22.50 N ATOM 192 CA VAL A 13 3.892 2.014 2.631 1.00 22.20 C ATOM 193 C VAL A 13 4.653 2.947 3.566 1.00 21.10 C ATOM 194 O VAL A 13 4.061 3.604 4.422 1.00 12.30 O ATOM 195 CB VAL A 13 3.740 0.639 3.308 1.00 32.30 C ATOM 196 CG1 VAL A 13 2.871 0.748 4.551 1.00 34.30 C ATOM 197 CG2 VAL A 13 3.164 -0.376 2.332 1.00 41.10 C ATOM 0 H VAL A 13 4.866 0.955 1.105 1.00 22.50 H new ATOM 0 HA VAL A 13 2.902 2.427 2.438 1.00 22.20 H new ATOM 0 HB VAL A 13 4.728 0.294 3.614 1.00 32.30 H new ATOM 0 HG11 VAL A 13 2.775 -0.234 5.015 1.00 34.30 H new ATOM 0 HG12 VAL A 13 3.331 1.440 5.257 1.00 34.30 H new ATOM 0 HG13 VAL A 13 1.883 1.116 4.273 1.00 34.30 H new ATOM 0 HG21 VAL A 13 3.064 -1.341 2.828 1.00 41.10 H new ATOM 0 HG22 VAL A 13 2.185 -0.039 1.992 1.00 41.10 H new ATOM 0 HG23 VAL A 13 3.830 -0.476 1.475 1.00 41.10 H new ATOM 207 N THR A 14 5.972 2.998 3.399 1.00 65.40 N ATOM 208 CA THR A 14 6.814 3.850 4.231 1.00 42.40 C ATOM 209 C THR A 14 6.582 5.324 3.917 1.00 62.10 C ATOM 210 O THR A 14 6.466 6.151 4.822 1.00 51.00 O ATOM 211 CB THR A 14 8.288 3.499 4.024 1.00 74.40 C ATOM 212 OG1 THR A 14 8.494 2.102 4.139 1.00 75.40 O ATOM 213 CG2 THR A 14 9.210 4.182 5.012 1.00 33.10 C ATOM 0 H THR A 14 6.479 2.460 2.696 1.00 65.40 H new ATOM 0 HA THR A 14 6.546 3.675 5.273 1.00 42.40 H new ATOM 0 HB THR A 14 8.530 3.851 3.021 1.00 74.40 H new ATOM 0 HG1 THR A 14 8.102 1.649 3.364 1.00 75.40 H new ATOM 0 HG21 THR A 14 10.241 3.890 4.810 1.00 33.10 H new ATOM 0 HG22 THR A 14 9.113 5.263 4.913 1.00 33.10 H new ATOM 0 HG23 THR A 14 8.941 3.885 6.026 1.00 33.10 H new ATOM 221 N LYS A 15 6.518 5.648 2.629 1.00 24.00 N ATOM 222 CA LYS A 15 6.301 7.023 2.196 1.00 51.40 C ATOM 223 C LYS A 15 4.859 7.456 2.445 1.00 74.20 C ATOM 224 O LYS A 15 4.580 8.642 2.627 1.00 52.30 O ATOM 225 CB LYS A 15 6.641 7.170 0.712 1.00 34.40 C ATOM 226 CG LYS A 15 8.096 7.531 0.454 1.00 71.20 C ATOM 227 CD LYS A 15 8.691 6.692 -0.666 1.00 63.10 C ATOM 228 CE LYS A 15 10.033 7.242 -1.121 1.00 2.52 C ATOM 229 NZ LYS A 15 10.209 7.129 -2.595 1.00 35.40 N ATOM 0 H LYS A 15 6.613 4.976 1.867 1.00 24.00 H new ATOM 0 HA LYS A 15 6.958 7.668 2.780 1.00 51.40 H new ATOM 0 HB2 LYS A 15 6.411 6.235 0.201 1.00 34.40 H new ATOM 0 HB3 LYS A 15 6.002 7.938 0.276 1.00 34.40 H new ATOM 0 HG2 LYS A 15 8.169 8.588 0.196 1.00 71.20 H new ATOM 0 HG3 LYS A 15 8.675 7.385 1.366 1.00 71.20 H new ATOM 0 HD2 LYS A 15 8.814 5.664 -0.326 1.00 63.10 H new ATOM 0 HD3 LYS A 15 8.001 6.668 -1.510 1.00 63.10 H new ATOM 0 HE2 LYS A 15 10.116 8.288 -0.825 1.00 2.52 H new ATOM 0 HE3 LYS A 15 10.836 6.703 -0.617 1.00 2.52 H new ATOM 0 HZ1 LYS A 15 11.136 7.515 -2.864 1.00 35.40 H new ATOM 0 HZ2 LYS A 15 10.155 6.129 -2.875 1.00 35.40 H new ATOM 0 HZ3 LYS A 15 9.458 7.664 -3.076 1.00 35.40 H new ATOM 243 N ALA A 16 3.945 6.490 2.449 1.00 22.20 N ATOM 244 CA ALA A 16 2.534 6.776 2.673 1.00 33.30 C ATOM 245 C ALA A 16 2.258 7.088 4.141 1.00 1.32 C ATOM 246 O ALA A 16 1.571 8.058 4.461 1.00 35.30 O ATOM 247 CB ALA A 16 1.680 5.603 2.213 1.00 70.10 C ATOM 0 H ALA A 16 4.157 5.504 2.300 1.00 22.20 H new ATOM 0 HA ALA A 16 2.272 7.658 2.088 1.00 33.30 H new ATOM 0 HB1 ALA A 16 0.628 5.829 2.386 1.00 70.10 H new ATOM 0 HB2 ALA A 16 1.844 5.429 1.150 1.00 70.10 H new ATOM 0 HB3 ALA A 16 1.956 4.710 2.774 1.00 70.10 H new ATOM 253 N THR A 17 2.798 6.260 5.029 1.00 74.20 N ATOM 254 CA THR A 17 2.607 6.447 6.463 1.00 21.40 C ATOM 255 C THR A 17 3.232 7.758 6.931 1.00 74.00 C ATOM 256 O THR A 17 2.606 8.529 7.659 1.00 32.40 O ATOM 257 CB THR A 17 3.213 5.275 7.237 1.00 14.10 C ATOM 258 OG1 THR A 17 3.010 5.436 8.629 1.00 22.00 O ATOM 259 CG2 THR A 17 4.699 5.107 7.004 1.00 75.30 C ATOM 0 H THR A 17 3.371 5.453 4.781 1.00 74.20 H new ATOM 0 HA THR A 17 1.535 6.487 6.658 1.00 21.40 H new ATOM 0 HB THR A 17 2.702 4.387 6.864 1.00 14.10 H new ATOM 0 HG1 THR A 17 3.403 4.676 9.107 1.00 22.00 H new ATOM 0 HG21 THR A 17 5.064 4.258 7.582 1.00 75.30 H new ATOM 0 HG22 THR A 17 4.883 4.930 5.944 1.00 75.30 H new ATOM 0 HG23 THR A 17 5.221 6.011 7.317 1.00 75.30 H new ATOM 267 N GLU A 18 4.468 8.004 6.510 1.00 61.20 N ATOM 268 CA GLU A 18 5.175 9.221 6.888 1.00 71.40 C ATOM 269 C GLU A 18 4.487 10.454 6.311 1.00 61.10 C ATOM 270 O GLU A 18 4.493 11.524 6.921 1.00 5.15 O ATOM 271 CB GLU A 18 6.627 9.163 6.409 1.00 11.40 C ATOM 272 CG GLU A 18 6.768 9.125 4.897 1.00 62.40 C ATOM 273 CD GLU A 18 7.049 10.491 4.303 1.00 50.30 C ATOM 274 OE1 GLU A 18 6.130 11.336 4.295 1.00 23.10 O ATOM 275 OE2 GLU A 18 8.190 10.716 3.845 1.00 11.20 O ATOM 0 H GLU A 18 5.000 7.377 5.907 1.00 61.20 H new ATOM 0 HA GLU A 18 5.160 9.295 7.975 1.00 71.40 H new ATOM 0 HB2 GLU A 18 7.163 10.031 6.794 1.00 11.40 H new ATOM 0 HB3 GLU A 18 7.105 8.280 6.832 1.00 11.40 H new ATOM 0 HG2 GLU A 18 7.575 8.443 4.628 1.00 62.40 H new ATOM 0 HG3 GLU A 18 5.853 8.724 4.460 1.00 62.40 H new ATOM 282 N GLU A 19 3.896 10.298 5.132 1.00 53.40 N ATOM 283 CA GLU A 19 3.204 11.399 4.471 1.00 53.10 C ATOM 284 C GLU A 19 1.940 11.785 5.233 1.00 73.20 C ATOM 285 O GLU A 19 1.678 12.966 5.463 1.00 45.10 O ATOM 286 CB GLU A 19 2.851 11.017 3.033 1.00 32.10 C ATOM 287 CG GLU A 19 3.942 11.352 2.029 1.00 14.30 C ATOM 288 CD GLU A 19 4.127 12.846 1.848 1.00 52.10 C ATOM 289 OE1 GLU A 19 4.676 13.491 2.766 1.00 51.30 O ATOM 290 OE2 GLU A 19 3.725 13.370 0.789 1.00 13.00 O ATOM 0 H GLU A 19 3.882 9.420 4.614 1.00 53.40 H new ATOM 0 HA GLU A 19 3.873 12.259 4.457 1.00 53.10 H new ATOM 0 HB2 GLU A 19 2.645 9.947 2.990 1.00 32.10 H new ATOM 0 HB3 GLU A 19 1.933 11.530 2.745 1.00 32.10 H new ATOM 0 HG2 GLU A 19 4.882 10.910 2.359 1.00 14.30 H new ATOM 0 HG3 GLU A 19 3.697 10.901 1.068 1.00 14.30 H new ATOM 297 N ASP A 20 1.157 10.783 5.622 1.00 42.30 N ATOM 298 CA ASP A 20 -0.081 11.017 6.357 1.00 52.50 C ATOM 299 C ASP A 20 0.171 11.865 7.601 1.00 50.10 C ATOM 300 O ASP A 20 -0.686 12.643 8.019 1.00 73.40 O ATOM 301 CB ASP A 20 -0.723 9.687 6.755 1.00 21.50 C ATOM 302 CG ASP A 20 -2.235 9.771 6.818 1.00 74.20 C ATOM 303 OD1 ASP A 20 -2.820 10.551 6.036 1.00 13.10 O ATOM 304 OD2 ASP A 20 -2.836 9.057 7.648 1.00 34.30 O ATOM 0 H ASP A 20 1.359 9.800 5.440 1.00 42.30 H new ATOM 0 HA ASP A 20 -0.762 11.561 5.702 1.00 52.50 H new ATOM 0 HB2 ASP A 20 -0.434 8.918 6.038 1.00 21.50 H new ATOM 0 HB3 ASP A 20 -0.338 9.377 7.727 1.00 21.50 H new ATOM 309 N LYS A 21 1.354 11.708 8.188 1.00 32.10 N ATOM 310 CA LYS A 21 1.719 12.459 9.383 1.00 53.00 C ATOM 311 C LYS A 21 2.052 13.908 9.038 1.00 34.20 C ATOM 312 O LYS A 21 1.930 14.799 9.879 1.00 64.00 O ATOM 313 CB LYS A 21 2.911 11.798 10.080 1.00 55.30 C ATOM 314 CG LYS A 21 2.520 10.948 11.278 1.00 23.20 C ATOM 315 CD LYS A 21 3.315 9.653 11.328 1.00 41.00 C ATOM 316 CE LYS A 21 2.450 8.485 11.776 1.00 43.20 C ATOM 317 NZ LYS A 21 2.513 8.281 13.250 1.00 53.10 N ATOM 0 H LYS A 21 2.075 11.068 7.855 1.00 32.10 H new ATOM 0 HA LYS A 21 0.864 12.456 10.059 1.00 53.00 H new ATOM 0 HB2 LYS A 21 3.442 11.175 9.361 1.00 55.30 H new ATOM 0 HB3 LYS A 21 3.606 12.572 10.405 1.00 55.30 H new ATOM 0 HG2 LYS A 21 2.685 11.513 12.195 1.00 23.20 H new ATOM 0 HG3 LYS A 21 1.455 10.720 11.231 1.00 23.20 H new ATOM 0 HD2 LYS A 21 3.731 9.442 10.343 1.00 41.00 H new ATOM 0 HD3 LYS A 21 4.156 9.767 12.012 1.00 41.00 H new ATOM 0 HE2 LYS A 21 1.417 8.663 11.478 1.00 43.20 H new ATOM 0 HE3 LYS A 21 2.776 7.577 11.269 1.00 43.20 H new ATOM 0 HZ1 LYS A 21 1.910 7.476 13.515 1.00 53.10 H new ATOM 0 HZ2 LYS A 21 3.495 8.086 13.532 1.00 53.10 H new ATOM 0 HZ3 LYS A 21 2.178 9.139 13.734 1.00 53.10 H new ATOM 331 N ALA A 22 2.475 14.138 7.798 1.00 2.23 N ATOM 332 CA ALA A 22 2.826 15.481 7.347 1.00 13.20 C ATOM 333 C ALA A 22 1.662 16.143 6.613 1.00 25.40 C ATOM 334 O ALA A 22 1.867 17.017 5.770 1.00 10.10 O ATOM 335 CB ALA A 22 4.055 15.431 6.454 1.00 3.01 C ATOM 0 H ALA A 22 2.583 13.413 7.089 1.00 2.23 H new ATOM 0 HA ALA A 22 3.051 16.083 8.227 1.00 13.20 H new ATOM 0 HB1 ALA A 22 4.306 16.439 6.124 1.00 3.01 H new ATOM 0 HB2 ALA A 22 4.893 15.012 7.011 1.00 3.01 H new ATOM 0 HB3 ALA A 22 3.848 14.806 5.585 1.00 3.01 H new ATOM 341 N LYS A 23 0.443 15.724 6.939 1.00 32.20 N ATOM 342 CA LYS A 23 -0.751 16.280 6.310 1.00 64.20 C ATOM 343 C LYS A 23 -0.692 16.126 4.791 1.00 54.40 C ATOM 344 O LYS A 23 -0.806 17.104 4.052 1.00 11.40 O ATOM 345 CB LYS A 23 -0.905 17.756 6.680 1.00 51.40 C ATOM 346 CG LYS A 23 -1.466 17.979 8.075 1.00 51.10 C ATOM 347 CD LYS A 23 -2.179 19.317 8.183 1.00 1.04 C ATOM 348 CE LYS A 23 -3.310 19.266 9.197 1.00 62.30 C ATOM 349 NZ LYS A 23 -2.838 19.590 10.572 1.00 42.40 N ATOM 0 H LYS A 23 0.256 15.002 7.635 1.00 32.20 H new ATOM 0 HA LYS A 23 -1.616 15.727 6.677 1.00 64.20 H new ATOM 0 HB2 LYS A 23 0.067 18.244 6.606 1.00 51.40 H new ATOM 0 HB3 LYS A 23 -1.559 18.238 5.953 1.00 51.40 H new ATOM 0 HG2 LYS A 23 -2.160 17.175 8.322 1.00 51.10 H new ATOM 0 HG3 LYS A 23 -0.657 17.937 8.804 1.00 51.10 H new ATOM 0 HD2 LYS A 23 -1.465 20.089 8.471 1.00 1.04 H new ATOM 0 HD3 LYS A 23 -2.576 19.599 7.208 1.00 1.04 H new ATOM 0 HE2 LYS A 23 -4.090 19.969 8.906 1.00 62.30 H new ATOM 0 HE3 LYS A 23 -3.758 18.272 9.192 1.00 62.30 H new ATOM 0 HZ1 LYS A 23 -3.639 19.544 11.234 1.00 42.40 H new ATOM 0 HZ2 LYS A 23 -2.111 18.904 10.860 1.00 42.40 H new ATOM 0 HZ3 LYS A 23 -2.434 20.548 10.583 1.00 42.40 H new ATOM 363 N ASN A 24 -0.513 14.890 4.333 1.00 55.00 N ATOM 364 CA ASN A 24 -0.440 14.608 2.904 1.00 41.10 C ATOM 365 C ASN A 24 -1.482 13.568 2.501 1.00 12.30 C ATOM 366 O ASN A 24 -1.182 12.619 1.778 1.00 31.30 O ATOM 367 CB ASN A 24 0.960 14.119 2.530 1.00 1.23 C ATOM 368 CG ASN A 24 1.932 15.261 2.306 1.00 75.50 C ATOM 369 OD1 ASN A 24 2.686 15.635 3.204 1.00 2.13 O ATOM 370 ND2 ASN A 24 1.914 15.825 1.103 1.00 51.10 N ATOM 0 H ASN A 24 -0.416 14.069 4.931 1.00 55.00 H new ATOM 0 HA ASN A 24 -0.649 15.532 2.365 1.00 41.10 H new ATOM 0 HB2 ASN A 24 1.339 13.473 3.322 1.00 1.23 H new ATOM 0 HB3 ASN A 24 0.901 13.514 1.625 1.00 1.23 H new ATOM 0 HD21 ASN A 24 2.542 16.601 0.894 1.00 51.10 H new ATOM 0 HD22 ASN A 24 1.272 15.482 0.389 1.00 51.10 H new ATOM 377 N TYR A 25 -2.711 13.754 2.978 1.00 61.30 N ATOM 378 CA TYR A 25 -3.801 12.833 2.670 1.00 0.03 C ATOM 379 C TYR A 25 -3.919 12.599 1.166 1.00 24.10 C ATOM 380 O TYR A 25 -4.327 11.526 0.725 1.00 70.40 O ATOM 381 CB TYR A 25 -5.122 13.375 3.218 1.00 43.30 C ATOM 382 CG TYR A 25 -5.102 13.636 4.706 1.00 2.41 C ATOM 383 CD1 TYR A 25 -5.466 12.645 5.609 1.00 32.10 C ATOM 384 CD2 TYR A 25 -4.719 14.873 5.210 1.00 10.10 C ATOM 385 CE1 TYR A 25 -5.448 12.879 6.971 1.00 51.40 C ATOM 386 CE2 TYR A 25 -4.699 15.115 6.570 1.00 22.00 C ATOM 387 CZ TYR A 25 -5.064 14.115 7.446 1.00 1.13 C ATOM 388 OH TYR A 25 -5.045 14.352 8.802 1.00 43.20 O ATOM 0 H TYR A 25 -2.976 14.534 3.579 1.00 61.30 H new ATOM 0 HA TYR A 25 -3.578 11.879 3.147 1.00 0.03 H new ATOM 0 HB2 TYR A 25 -5.367 14.302 2.699 1.00 43.30 H new ATOM 0 HB3 TYR A 25 -5.917 12.664 2.994 1.00 43.30 H new ATOM 0 HD1 TYR A 25 -5.768 11.676 5.241 1.00 32.10 H new ATOM 0 HD2 TYR A 25 -4.432 15.659 4.527 1.00 10.10 H new ATOM 0 HE1 TYR A 25 -5.733 12.098 7.660 1.00 51.40 H new ATOM 0 HE2 TYR A 25 -4.399 16.082 6.945 1.00 22.00 H new ATOM 0 HH TYR A 25 -4.750 15.271 8.969 1.00 43.20 H new ATOM 398 N GLU A 26 -3.558 13.612 0.385 1.00 71.10 N ATOM 399 CA GLU A 26 -3.623 13.515 -1.070 1.00 64.10 C ATOM 400 C GLU A 26 -2.531 12.593 -1.601 1.00 45.20 C ATOM 401 O GLU A 26 -2.802 11.672 -2.371 1.00 13.30 O ATOM 402 CB GLU A 26 -3.491 14.902 -1.700 1.00 63.50 C ATOM 403 CG GLU A 26 -4.822 15.597 -1.930 1.00 10.30 C ATOM 404 CD GLU A 26 -5.321 15.448 -3.353 1.00 14.10 C ATOM 405 OE1 GLU A 26 -5.294 14.315 -3.876 1.00 53.10 O ATOM 406 OE2 GLU A 26 -5.737 16.466 -3.945 1.00 55.30 O ATOM 0 H GLU A 26 -3.218 14.508 0.734 1.00 71.10 H new ATOM 0 HA GLU A 26 -4.591 13.093 -1.340 1.00 64.10 H new ATOM 0 HB2 GLU A 26 -2.872 15.526 -1.056 1.00 63.50 H new ATOM 0 HB3 GLU A 26 -2.969 14.811 -2.653 1.00 63.50 H new ATOM 0 HG2 GLU A 26 -5.564 15.188 -1.244 1.00 10.30 H new ATOM 0 HG3 GLU A 26 -4.720 16.656 -1.694 1.00 10.30 H new ATOM 413 N GLU A 27 -1.295 12.849 -1.184 1.00 52.50 N ATOM 414 CA GLU A 27 -0.160 12.042 -1.618 1.00 72.00 C ATOM 415 C GLU A 27 -0.246 10.630 -1.047 1.00 11.30 C ATOM 416 O GLU A 27 0.040 9.652 -1.738 1.00 23.00 O ATOM 417 CB GLU A 27 1.153 12.699 -1.189 1.00 32.20 C ATOM 418 CG GLU A 27 2.360 12.217 -1.974 1.00 71.30 C ATOM 419 CD GLU A 27 2.739 13.159 -3.099 1.00 41.40 C ATOM 420 OE1 GLU A 27 2.006 13.201 -4.111 1.00 32.40 O ATOM 421 OE2 GLU A 27 3.767 13.857 -2.971 1.00 42.20 O ATOM 0 H GLU A 27 -1.054 13.608 -0.547 1.00 52.50 H new ATOM 0 HA GLU A 27 -0.187 11.977 -2.706 1.00 72.00 H new ATOM 0 HB2 GLU A 27 1.063 13.779 -1.304 1.00 32.20 H new ATOM 0 HB3 GLU A 27 1.318 12.504 -0.129 1.00 32.20 H new ATOM 0 HG2 GLU A 27 3.207 12.106 -1.298 1.00 71.30 H new ATOM 0 HG3 GLU A 27 2.150 11.230 -2.387 1.00 71.30 H new ATOM 428 N ALA A 28 -0.639 10.532 0.218 1.00 2.13 N ATOM 429 CA ALA A 28 -0.762 9.240 0.884 1.00 65.00 C ATOM 430 C ALA A 28 -1.756 8.340 0.157 1.00 42.30 C ATOM 431 O ALA A 28 -1.593 7.120 0.124 1.00 3.34 O ATOM 432 CB ALA A 28 -1.182 9.431 2.332 1.00 14.20 C ATOM 0 H ALA A 28 -0.878 11.332 0.804 1.00 2.13 H new ATOM 0 HA ALA A 28 0.213 8.753 0.861 1.00 65.00 H new ATOM 0 HB1 ALA A 28 -1.270 8.459 2.817 1.00 14.20 H new ATOM 0 HB2 ALA A 28 -0.434 10.029 2.852 1.00 14.20 H new ATOM 0 HB3 ALA A 28 -2.144 9.942 2.367 1.00 14.20 H new ATOM 438 N LEU A 29 -2.784 8.949 -0.423 1.00 13.10 N ATOM 439 CA LEU A 29 -3.804 8.201 -1.150 1.00 22.30 C ATOM 440 C LEU A 29 -3.198 7.474 -2.346 1.00 41.20 C ATOM 441 O LEU A 29 -3.506 6.309 -2.597 1.00 51.50 O ATOM 442 CB LEU A 29 -4.917 9.140 -1.619 1.00 75.30 C ATOM 443 CG LEU A 29 -6.022 8.475 -2.441 1.00 64.00 C ATOM 444 CD1 LEU A 29 -7.079 7.872 -1.528 1.00 33.30 C ATOM 445 CD2 LEU A 29 -6.651 9.478 -3.398 1.00 54.20 C ATOM 0 H LEU A 29 -2.934 9.958 -0.404 1.00 13.10 H new ATOM 0 HA LEU A 29 -4.226 7.458 -0.473 1.00 22.30 H new ATOM 0 HB2 LEU A 29 -5.368 9.609 -0.745 1.00 75.30 H new ATOM 0 HB3 LEU A 29 -4.472 9.937 -2.215 1.00 75.30 H new ATOM 0 HG LEU A 29 -5.578 7.671 -3.028 1.00 64.00 H new ATOM 0 HD11 LEU A 29 -7.857 7.404 -2.131 1.00 33.30 H new ATOM 0 HD12 LEU A 29 -6.619 7.123 -0.884 1.00 33.30 H new ATOM 0 HD13 LEU A 29 -7.520 8.657 -0.914 1.00 33.30 H new ATOM 0 HD21 LEU A 29 -7.435 8.988 -3.975 1.00 54.20 H new ATOM 0 HD22 LEU A 29 -7.080 10.303 -2.830 1.00 54.20 H new ATOM 0 HD23 LEU A 29 -5.888 9.862 -4.075 1.00 54.20 H new ATOM 457 N ARG A 30 -2.336 8.169 -3.080 1.00 73.30 N ATOM 458 CA ARG A 30 -1.688 7.588 -4.250 1.00 34.40 C ATOM 459 C ARG A 30 -0.575 6.630 -3.839 1.00 23.10 C ATOM 460 O ARG A 30 -0.330 5.625 -4.506 1.00 72.20 O ATOM 461 CB ARG A 30 -1.121 8.693 -5.145 1.00 31.40 C ATOM 462 CG ARG A 30 -2.178 9.418 -5.961 1.00 3.35 C ATOM 463 CD ARG A 30 -2.683 8.557 -7.107 1.00 63.20 C ATOM 464 NE ARG A 30 -1.710 8.462 -8.193 1.00 51.10 N ATOM 465 CZ ARG A 30 -1.519 9.414 -9.102 1.00 14.00 C ATOM 466 NH1 ARG A 30 -2.232 10.533 -9.063 1.00 31.50 N ATOM 467 NH2 ARG A 30 -0.613 9.247 -10.050 1.00 22.50 N ATOM 0 H ARG A 30 -2.070 9.134 -2.886 1.00 73.30 H new ATOM 0 HA ARG A 30 -2.438 7.026 -4.807 1.00 34.40 H new ATOM 0 HB2 ARG A 30 -0.594 9.417 -4.524 1.00 31.40 H new ATOM 0 HB3 ARG A 30 -0.386 8.259 -5.822 1.00 31.40 H new ATOM 0 HG2 ARG A 30 -3.012 9.693 -5.316 1.00 3.35 H new ATOM 0 HG3 ARG A 30 -1.762 10.345 -6.356 1.00 3.35 H new ATOM 0 HD2 ARG A 30 -2.910 7.558 -6.736 1.00 63.20 H new ATOM 0 HD3 ARG A 30 -3.614 8.974 -7.490 1.00 63.20 H new ATOM 0 HE ARG A 30 -1.144 7.616 -8.258 1.00 51.10 H new ATOM 0 HH11 ARG A 30 -2.931 10.667 -8.333 1.00 31.50 H new ATOM 0 HH12 ARG A 30 -2.080 11.259 -9.763 1.00 31.50 H new ATOM 0 HH21 ARG A 30 -0.062 8.389 -10.083 1.00 22.50 H new ATOM 0 HH22 ARG A 30 -0.465 9.976 -10.748 1.00 22.50 H new ATOM 481 N LEU A 31 0.095 6.948 -2.736 1.00 55.10 N ATOM 482 CA LEU A 31 1.183 6.115 -2.237 1.00 42.20 C ATOM 483 C LEU A 31 0.649 4.804 -1.665 1.00 11.30 C ATOM 484 O LEU A 31 1.313 3.770 -1.733 1.00 22.20 O ATOM 485 CB LEU A 31 1.979 6.868 -1.166 1.00 13.40 C ATOM 486 CG LEU A 31 3.235 7.576 -1.673 1.00 65.10 C ATOM 487 CD1 LEU A 31 4.275 6.563 -2.123 1.00 42.20 C ATOM 488 CD2 LEU A 31 2.888 8.527 -2.810 1.00 24.40 C ATOM 0 H LEU A 31 -0.096 7.776 -2.171 1.00 55.10 H new ATOM 0 HA LEU A 31 1.842 5.882 -3.073 1.00 42.20 H new ATOM 0 HB2 LEU A 31 1.326 7.607 -0.702 1.00 13.40 H new ATOM 0 HB3 LEU A 31 2.267 6.163 -0.386 1.00 13.40 H new ATOM 0 HG LEU A 31 3.656 8.158 -0.853 1.00 65.10 H new ATOM 0 HD11 LEU A 31 5.162 7.086 -2.481 1.00 42.20 H new ATOM 0 HD12 LEU A 31 4.546 5.922 -1.284 1.00 42.20 H new ATOM 0 HD13 LEU A 31 3.865 5.953 -2.928 1.00 42.20 H new ATOM 0 HD21 LEU A 31 3.794 9.023 -3.159 1.00 24.40 H new ATOM 0 HD22 LEU A 31 2.442 7.965 -3.631 1.00 24.40 H new ATOM 0 HD23 LEU A 31 2.179 9.275 -2.455 1.00 24.40 H new ATOM 500 N TYR A 32 -0.554 4.856 -1.101 1.00 4.32 N ATOM 501 CA TYR A 32 -1.175 3.673 -0.517 1.00 35.10 C ATOM 502 C TYR A 32 -1.714 2.747 -1.604 1.00 42.40 C ATOM 503 O TYR A 32 -1.452 1.545 -1.595 1.00 32.20 O ATOM 504 CB TYR A 32 -2.303 4.081 0.432 1.00 64.40 C ATOM 505 CG TYR A 32 -1.931 3.983 1.894 1.00 54.20 C ATOM 506 CD1 TYR A 32 -2.126 2.803 2.602 1.00 62.10 C ATOM 507 CD2 TYR A 32 -1.384 5.069 2.566 1.00 54.10 C ATOM 508 CE1 TYR A 32 -1.787 2.710 3.939 1.00 71.30 C ATOM 509 CE2 TYR A 32 -1.040 4.983 3.902 1.00 63.50 C ATOM 510 CZ TYR A 32 -1.244 3.801 4.583 1.00 21.20 C ATOM 511 OH TYR A 32 -0.905 3.711 5.914 1.00 64.00 O ATOM 0 H TYR A 32 -1.117 5.704 -1.036 1.00 4.32 H new ATOM 0 HA TYR A 32 -0.414 3.133 0.047 1.00 35.10 H new ATOM 0 HB2 TYR A 32 -2.600 5.106 0.210 1.00 64.40 H new ATOM 0 HB3 TYR A 32 -3.171 3.449 0.244 1.00 64.40 H new ATOM 0 HD1 TYR A 32 -2.549 1.945 2.100 1.00 62.10 H new ATOM 0 HD2 TYR A 32 -1.225 5.996 2.036 1.00 54.10 H new ATOM 0 HE1 TYR A 32 -1.947 1.787 4.476 1.00 71.30 H new ATOM 0 HE2 TYR A 32 -0.614 5.836 4.409 1.00 63.50 H new ATOM 0 HH TYR A 32 -0.534 4.567 6.216 1.00 64.00 H new ATOM 521 N GLN A 33 -2.470 3.317 -2.538 1.00 64.10 N ATOM 522 CA GLN A 33 -3.047 2.542 -3.630 1.00 22.20 C ATOM 523 C GLN A 33 -1.959 1.863 -4.456 1.00 62.30 C ATOM 524 O GLN A 33 -2.134 0.741 -4.928 1.00 73.50 O ATOM 525 CB GLN A 33 -3.895 3.446 -4.529 1.00 70.50 C ATOM 526 CG GLN A 33 -5.282 3.724 -3.978 1.00 65.00 C ATOM 527 CD GLN A 33 -6.344 3.758 -5.059 1.00 25.30 C ATOM 528 OE1 GLN A 33 -6.671 2.733 -5.657 1.00 43.00 O ATOM 529 NE2 GLN A 33 -6.889 4.942 -5.318 1.00 12.00 N ATOM 0 H GLN A 33 -2.697 4.311 -2.560 1.00 64.10 H new ATOM 0 HA GLN A 33 -3.681 1.769 -3.196 1.00 22.20 H new ATOM 0 HB2 GLN A 33 -3.374 4.393 -4.673 1.00 70.50 H new ATOM 0 HB3 GLN A 33 -3.990 2.982 -5.511 1.00 70.50 H new ATOM 0 HG2 GLN A 33 -5.538 2.958 -3.246 1.00 65.00 H new ATOM 0 HG3 GLN A 33 -5.275 4.678 -3.451 1.00 65.00 H new ATOM 0 HE21 GLN A 33 -6.588 5.767 -4.798 1.00 12.00 H new ATOM 0 HE22 GLN A 33 -7.608 5.026 -6.037 1.00 12.00 H new ATOM 538 N HIS A 34 -0.836 2.553 -4.627 1.00 15.20 N ATOM 539 CA HIS A 34 0.280 2.017 -5.398 1.00 20.30 C ATOM 540 C HIS A 34 0.922 0.832 -4.682 1.00 34.20 C ATOM 541 O HIS A 34 1.347 -0.133 -5.317 1.00 43.50 O ATOM 542 CB HIS A 34 1.327 3.107 -5.643 1.00 75.10 C ATOM 543 CG HIS A 34 1.150 3.825 -6.945 1.00 75.40 C ATOM 544 ND1 HIS A 34 2.018 3.680 -8.008 1.00 15.30 N ATOM 545 CD2 HIS A 34 0.198 4.697 -7.355 1.00 11.30 C ATOM 546 CE1 HIS A 34 1.607 4.433 -9.013 1.00 41.00 C ATOM 547 NE2 HIS A 34 0.506 5.059 -8.643 1.00 64.30 N ATOM 0 H HIS A 34 -0.675 3.484 -4.242 1.00 15.20 H new ATOM 0 HA HIS A 34 -0.108 1.671 -6.356 1.00 20.30 H new ATOM 0 HB2 HIS A 34 1.283 3.831 -4.829 1.00 75.10 H new ATOM 0 HB3 HIS A 34 2.320 2.658 -5.617 1.00 75.10 H new ATOM 0 HD2 HIS A 34 -0.646 5.043 -6.777 1.00 11.30 H new ATOM 0 HE1 HIS A 34 2.091 4.521 -9.975 1.00 41.00 H new ATOM 0 HE2 HIS A 34 -0.030 5.707 -9.220 1.00 64.30 H new ATOM 556 N ALA A 35 0.990 0.912 -3.357 1.00 52.40 N ATOM 557 CA ALA A 35 1.581 -0.152 -2.556 1.00 53.50 C ATOM 558 C ALA A 35 0.746 -1.427 -2.629 1.00 31.20 C ATOM 559 O ALA A 35 1.283 -2.535 -2.599 1.00 34.10 O ATOM 560 CB ALA A 35 1.734 0.298 -1.112 1.00 22.20 C ATOM 0 H ALA A 35 0.643 1.704 -2.816 1.00 52.40 H new ATOM 0 HA ALA A 35 2.567 -0.373 -2.964 1.00 53.50 H new ATOM 0 HB1 ALA A 35 2.177 -0.507 -0.525 1.00 22.20 H new ATOM 0 HB2 ALA A 35 2.380 1.175 -1.071 1.00 22.20 H new ATOM 0 HB3 ALA A 35 0.755 0.549 -0.703 1.00 22.20 H new ATOM 566 N VAL A 36 -0.569 -1.264 -2.726 1.00 71.30 N ATOM 567 CA VAL A 36 -1.477 -2.403 -2.801 1.00 33.20 C ATOM 568 C VAL A 36 -1.367 -3.108 -4.149 1.00 64.40 C ATOM 569 O VAL A 36 -1.575 -4.316 -4.247 1.00 52.10 O ATOM 570 CB VAL A 36 -2.939 -1.972 -2.579 1.00 41.20 C ATOM 571 CG1 VAL A 36 -3.843 -3.190 -2.463 1.00 62.40 C ATOM 572 CG2 VAL A 36 -3.054 -1.093 -1.343 1.00 13.30 C ATOM 0 H VAL A 36 -1.030 -0.355 -2.755 1.00 71.30 H new ATOM 0 HA VAL A 36 -1.184 -3.092 -2.009 1.00 33.20 H new ATOM 0 HB VAL A 36 -3.263 -1.390 -3.442 1.00 41.20 H new ATOM 0 HG11 VAL A 36 -4.872 -2.866 -2.306 1.00 62.40 H new ATOM 0 HG12 VAL A 36 -3.783 -3.776 -3.380 1.00 62.40 H new ATOM 0 HG13 VAL A 36 -3.523 -3.802 -1.619 1.00 62.40 H new ATOM 0 HG21 VAL A 36 -4.094 -0.798 -1.202 1.00 13.30 H new ATOM 0 HG22 VAL A 36 -2.712 -1.648 -0.469 1.00 13.30 H new ATOM 0 HG23 VAL A 36 -2.438 -0.203 -1.471 1.00 13.30 H new ATOM 582 N GLU A 37 -1.040 -2.344 -5.187 1.00 30.50 N ATOM 583 CA GLU A 37 -0.904 -2.897 -6.529 1.00 52.30 C ATOM 584 C GLU A 37 0.331 -3.787 -6.631 1.00 42.20 C ATOM 585 O GLU A 37 0.327 -4.789 -7.345 1.00 73.30 O ATOM 586 CB GLU A 37 -0.819 -1.769 -7.561 1.00 63.30 C ATOM 587 CG GLU A 37 -2.175 -1.289 -8.051 1.00 1.42 C ATOM 588 CD GLU A 37 -2.785 -2.220 -9.081 1.00 12.30 C ATOM 589 OE1 GLU A 37 -3.316 -3.278 -8.684 1.00 1.04 O ATOM 590 OE2 GLU A 37 -2.731 -1.889 -10.280 1.00 10.10 O ATOM 0 H GLU A 37 -0.865 -1.341 -5.124 1.00 30.50 H new ATOM 0 HA GLU A 37 -1.785 -3.505 -6.734 1.00 52.30 H new ATOM 0 HB2 GLU A 37 -0.281 -0.928 -7.124 1.00 63.30 H new ATOM 0 HB3 GLU A 37 -0.234 -2.112 -8.414 1.00 63.30 H new ATOM 0 HG2 GLU A 37 -2.853 -1.198 -7.202 1.00 1.42 H new ATOM 0 HG3 GLU A 37 -2.070 -0.294 -8.483 1.00 1.42 H new ATOM 597 N TYR A 38 1.385 -3.412 -5.914 1.00 0.12 N ATOM 598 CA TYR A 38 2.627 -4.177 -5.925 1.00 31.10 C ATOM 599 C TYR A 38 2.476 -5.479 -5.147 1.00 12.10 C ATOM 600 O TYR A 38 3.073 -6.497 -5.498 1.00 31.40 O ATOM 601 CB TYR A 38 3.766 -3.344 -5.332 1.00 11.30 C ATOM 602 CG TYR A 38 4.443 -2.441 -6.338 1.00 11.40 C ATOM 603 CD1 TYR A 38 5.326 -2.954 -7.278 1.00 21.50 C ATOM 604 CD2 TYR A 38 4.197 -1.073 -6.347 1.00 74.10 C ATOM 605 CE1 TYR A 38 5.946 -2.132 -8.199 1.00 0.02 C ATOM 606 CE2 TYR A 38 4.812 -0.244 -7.265 1.00 72.20 C ATOM 607 CZ TYR A 38 5.686 -0.778 -8.189 1.00 51.30 C ATOM 608 OH TYR A 38 6.302 0.044 -9.105 1.00 31.20 O ATOM 0 H TYR A 38 1.404 -2.584 -5.319 1.00 0.12 H new ATOM 0 HA TYR A 38 2.863 -4.422 -6.960 1.00 31.10 H new ATOM 0 HB2 TYR A 38 3.374 -2.736 -4.517 1.00 11.30 H new ATOM 0 HB3 TYR A 38 4.509 -4.015 -4.901 1.00 11.30 H new ATOM 0 HD1 TYR A 38 5.532 -4.014 -7.290 1.00 21.50 H new ATOM 0 HD2 TYR A 38 3.514 -0.651 -5.625 1.00 74.10 H new ATOM 0 HE1 TYR A 38 6.631 -2.548 -8.923 1.00 0.02 H new ATOM 0 HE2 TYR A 38 4.610 0.817 -7.259 1.00 72.20 H new ATOM 0 HH TYR A 38 6.010 0.969 -8.963 1.00 31.20 H new ATOM 618 N PHE A 39 1.676 -5.441 -4.086 1.00 13.50 N ATOM 619 CA PHE A 39 1.449 -6.619 -3.257 1.00 63.10 C ATOM 620 C PHE A 39 0.630 -7.666 -4.006 1.00 42.40 C ATOM 621 O PHE A 39 0.942 -8.856 -3.965 1.00 53.30 O ATOM 622 CB PHE A 39 0.735 -6.227 -1.963 1.00 12.40 C ATOM 623 CG PHE A 39 1.671 -5.818 -0.861 1.00 52.40 C ATOM 624 CD1 PHE A 39 2.576 -6.723 -0.331 1.00 51.10 C ATOM 625 CD2 PHE A 39 1.645 -4.526 -0.356 1.00 45.40 C ATOM 626 CE1 PHE A 39 3.439 -6.348 0.683 1.00 22.50 C ATOM 627 CE2 PHE A 39 2.505 -4.146 0.657 1.00 74.40 C ATOM 628 CZ PHE A 39 3.403 -5.059 1.177 1.00 71.40 C ATOM 0 H PHE A 39 1.174 -4.607 -3.780 1.00 13.50 H new ATOM 0 HA PHE A 39 2.419 -7.051 -3.013 1.00 63.10 H new ATOM 0 HB2 PHE A 39 0.050 -5.405 -2.170 1.00 12.40 H new ATOM 0 HB3 PHE A 39 0.131 -7.068 -1.622 1.00 12.40 H new ATOM 0 HD1 PHE A 39 2.608 -7.732 -0.714 1.00 51.10 H new ATOM 0 HD2 PHE A 39 0.945 -3.809 -0.759 1.00 45.40 H new ATOM 0 HE1 PHE A 39 4.140 -7.063 1.088 1.00 22.50 H new ATOM 0 HE2 PHE A 39 2.475 -3.137 1.042 1.00 74.40 H new ATOM 0 HZ PHE A 39 4.076 -4.765 1.969 1.00 71.40 H new ATOM 638 N LEU A 40 -0.417 -7.216 -4.688 1.00 52.30 N ATOM 639 CA LEU A 40 -1.281 -8.114 -5.445 1.00 22.20 C ATOM 640 C LEU A 40 -0.514 -8.778 -6.585 1.00 74.10 C ATOM 641 O LEU A 40 -0.614 -9.987 -6.792 1.00 45.40 O ATOM 642 CB LEU A 40 -2.484 -7.350 -6.000 1.00 30.10 C ATOM 643 CG LEU A 40 -3.711 -7.323 -5.087 1.00 45.50 C ATOM 644 CD1 LEU A 40 -4.691 -6.253 -5.542 1.00 31.30 C ATOM 645 CD2 LEU A 40 -4.384 -8.686 -5.058 1.00 31.10 C ATOM 0 H LEU A 40 -0.688 -6.234 -4.732 1.00 52.30 H new ATOM 0 HA LEU A 40 -1.634 -8.893 -4.769 1.00 22.20 H new ATOM 0 HB2 LEU A 40 -2.180 -6.324 -6.205 1.00 30.10 H new ATOM 0 HB3 LEU A 40 -2.769 -7.795 -6.953 1.00 30.10 H new ATOM 0 HG LEU A 40 -3.383 -7.080 -4.076 1.00 45.50 H new ATOM 0 HD11 LEU A 40 -5.558 -6.248 -4.881 1.00 31.30 H new ATOM 0 HD12 LEU A 40 -4.205 -5.278 -5.510 1.00 31.30 H new ATOM 0 HD13 LEU A 40 -5.014 -6.465 -6.561 1.00 31.30 H new ATOM 0 HD21 LEU A 40 -5.255 -8.648 -4.404 1.00 31.10 H new ATOM 0 HD22 LEU A 40 -4.699 -8.958 -6.066 1.00 31.10 H new ATOM 0 HD23 LEU A 40 -3.681 -9.431 -4.684 1.00 31.10 H new ATOM 657 N HIS A 41 0.249 -7.979 -7.322 1.00 23.30 N ATOM 658 CA HIS A 41 1.031 -8.489 -8.442 1.00 2.20 C ATOM 659 C HIS A 41 2.064 -9.509 -7.970 1.00 41.30 C ATOM 660 O HIS A 41 2.421 -10.430 -8.703 1.00 1.31 O ATOM 661 CB HIS A 41 1.731 -7.339 -9.170 1.00 74.00 C ATOM 662 CG HIS A 41 2.292 -7.728 -10.500 1.00 71.30 C ATOM 663 ND1 HIS A 41 1.905 -7.133 -11.680 1.00 43.20 N ATOM 664 CD2 HIS A 41 3.220 -8.657 -10.830 1.00 33.30 C ATOM 665 CE1 HIS A 41 2.568 -7.681 -12.680 1.00 0.24 C ATOM 666 NE2 HIS A 41 3.372 -8.606 -12.200 1.00 1.33 N ATOM 0 H HIS A 41 0.343 -6.976 -7.164 1.00 23.30 H new ATOM 0 HA HIS A 41 0.347 -8.985 -9.131 1.00 2.20 H new ATOM 0 HB2 HIS A 41 1.022 -6.522 -9.308 1.00 74.00 H new ATOM 0 HB3 HIS A 41 2.537 -6.959 -8.542 1.00 74.00 H new ATOM 0 HD2 HIS A 41 3.742 -9.313 -10.150 1.00 33.30 H new ATOM 0 HE1 HIS A 41 2.468 -7.414 -13.722 1.00 0.24 H new ATOM 0 HE2 HIS A 41 4.003 -9.189 -12.750 1.00 1.33 H new ATOM 675 N ALA A 42 2.541 -9.335 -6.742 1.00 1.13 N ATOM 676 CA ALA A 42 3.534 -10.240 -6.175 1.00 20.10 C ATOM 677 C ALA A 42 2.941 -11.620 -5.927 1.00 14.20 C ATOM 678 O ALA A 42 3.598 -12.630 -6.153 1.00 13.00 O ATOM 679 CB ALA A 42 4.093 -9.665 -4.882 1.00 30.50 C ATOM 0 H ALA A 42 2.257 -8.577 -6.121 1.00 1.13 H new ATOM 0 HA ALA A 42 4.345 -10.346 -6.895 1.00 20.10 H new ATOM 0 HB1 ALA A 42 4.833 -10.350 -4.469 1.00 30.50 H new ATOM 0 HB2 ALA A 42 4.563 -8.703 -5.085 1.00 30.50 H new ATOM 0 HB3 ALA A 42 3.284 -9.529 -4.164 1.00 30.50 H new ATOM 685 N ILE A 43 1.697 -11.650 -5.459 1.00 13.10 N ATOM 686 CA ILE A 43 1.018 -12.910 -5.178 1.00 44.10 C ATOM 687 C ILE A 43 0.620 -13.620 -6.468 1.00 73.10 C ATOM 688 O ILE A 43 0.769 -14.840 -6.591 1.00 34.00 O ATOM 689 CB ILE A 43 -0.241 -12.690 -4.317 1.00 13.20 C ATOM 690 CG1 ILE A 43 0.095 -11.850 -3.086 1.00 31.40 C ATOM 691 CG2 ILE A 43 -0.838 -14.030 -3.900 1.00 41.00 C ATOM 692 CD1 ILE A 43 -1.014 -10.900 -2.682 1.00 34.30 C ATOM 0 H ILE A 43 1.140 -10.818 -5.267 1.00 13.10 H new ATOM 0 HA ILE A 43 1.722 -13.532 -4.626 1.00 44.10 H new ATOM 0 HB ILE A 43 -0.979 -12.151 -4.912 1.00 13.20 H new ATOM 0 HG12 ILE A 43 0.315 -12.515 -2.251 1.00 31.40 H new ATOM 0 HG13 ILE A 43 1.000 -11.276 -3.284 1.00 31.40 H new ATOM 0 HG21 ILE A 43 -1.727 -13.859 -3.292 1.00 41.00 H new ATOM 0 HG22 ILE A 43 -1.110 -14.599 -4.789 1.00 41.00 H new ATOM 0 HG23 ILE A 43 -0.104 -14.591 -3.320 1.00 41.00 H new ATOM 0 HD11 ILE A 43 -0.707 -10.336 -1.801 1.00 34.30 H new ATOM 0 HD12 ILE A 43 -1.219 -10.211 -3.501 1.00 34.30 H new ATOM 0 HD13 ILE A 43 -1.915 -11.469 -2.453 1.00 34.30 H new ATOM 704 N LYS A 44 0.112 -12.850 -7.429 1.00 1.21 N ATOM 705 CA LYS A 44 -0.310 -13.410 -8.709 1.00 72.00 C ATOM 706 C LYS A 44 0.855 -14.090 -9.418 1.00 31.30 C ATOM 707 O LYS A 44 0.709 -15.190 -9.955 1.00 12.40 O ATOM 708 CB LYS A 44 -0.889 -12.310 -9.601 1.00 52.30 C ATOM 709 CG LYS A 44 -2.037 -12.780 -10.480 1.00 24.10 C ATOM 710 CD LYS A 44 -1.589 -12.990 -11.910 1.00 43.10 C ATOM 711 CE LYS A 44 -2.281 -14.180 -12.550 1.00 1.25 C ATOM 712 NZ LYS A 44 -1.441 -14.820 -13.600 1.00 30.20 N ATOM 0 H LYS A 44 -0.016 -11.842 -7.345 1.00 1.21 H new ATOM 0 HA LYS A 44 -1.079 -14.158 -8.514 1.00 72.00 H new ATOM 0 HB2 LYS A 44 -1.236 -11.490 -8.973 1.00 52.30 H new ATOM 0 HB3 LYS A 44 -0.096 -11.913 -10.235 1.00 52.30 H new ATOM 0 HG2 LYS A 44 -2.443 -13.711 -10.084 1.00 24.10 H new ATOM 0 HG3 LYS A 44 -2.842 -12.045 -10.454 1.00 24.10 H new ATOM 0 HD2 LYS A 44 -1.798 -12.092 -12.492 1.00 43.10 H new ATOM 0 HD3 LYS A 44 -0.510 -13.141 -11.934 1.00 43.10 H new ATOM 0 HE2 LYS A 44 -2.522 -14.915 -11.782 1.00 1.25 H new ATOM 0 HE3 LYS A 44 -3.225 -13.857 -12.989 1.00 1.25 H new ATOM 0 HZ1 LYS A 44 -1.953 -15.627 -14.010 1.00 30.20 H new ATOM 0 HZ2 LYS A 44 -1.232 -14.127 -14.347 1.00 30.20 H new ATOM 0 HZ3 LYS A 44 -0.551 -15.153 -13.177 1.00 30.20 H new ATOM 726 N TYR A 45 2.010 -13.440 -9.417 1.00 75.30 N ATOM 727 CA TYR A 45 3.200 -13.980 -10.060 1.00 5.34 C ATOM 728 C TYR A 45 4.017 -14.820 -9.080 1.00 13.10 C ATOM 729 O TYR A 45 4.175 -16.030 -9.259 1.00 2.34 O ATOM 730 CB TYR A 45 4.061 -12.850 -10.620 1.00 52.20 C ATOM 731 CG TYR A 45 3.576 -12.330 -11.960 1.00 34.10 C ATOM 732 CD1 TYR A 45 2.317 -11.760 -12.090 1.00 34.10 C ATOM 733 CD2 TYR A 45 4.379 -12.410 -13.090 1.00 62.50 C ATOM 734 CE1 TYR A 45 1.871 -11.290 -13.310 1.00 62.20 C ATOM 735 CE2 TYR A 45 3.940 -11.940 -14.310 1.00 51.50 C ATOM 736 CZ TYR A 45 2.686 -11.380 -14.410 1.00 12.40 C ATOM 737 OH TYR A 45 2.246 -10.900 -15.630 1.00 52.10 O ATOM 0 H TYR A 45 2.149 -12.531 -8.975 1.00 75.30 H new ATOM 0 HA TYR A 45 2.878 -14.622 -10.880 1.00 5.34 H new ATOM 0 HB2 TYR A 45 4.079 -12.028 -9.904 1.00 52.20 H new ATOM 0 HB3 TYR A 45 5.087 -13.203 -10.725 1.00 52.20 H new ATOM 0 HD1 TYR A 45 1.676 -11.683 -11.224 1.00 34.10 H new ATOM 0 HD2 TYR A 45 5.363 -12.847 -13.012 1.00 62.50 H new ATOM 0 HE1 TYR A 45 0.887 -10.854 -13.397 1.00 62.20 H new ATOM 0 HE2 TYR A 45 4.575 -12.011 -15.181 1.00 51.50 H new ATOM 0 HH TYR A 45 2.942 -11.038 -16.306 1.00 52.10 H new ATOM 747 N GLU A 46 4.536 -14.160 -8.045 1.00 61.50 N ATOM 748 CA GLU A 46 5.339 -14.850 -7.036 1.00 32.30 C ATOM 749 C GLU A 46 4.457 -15.420 -5.934 1.00 21.50 C ATOM 750 O GLU A 46 4.143 -14.740 -4.957 1.00 23.50 O ATOM 751 CB GLU A 46 6.364 -13.880 -6.434 1.00 13.10 C ATOM 752 CG GLU A 46 7.654 -13.790 -7.233 1.00 72.20 C ATOM 753 CD GLU A 46 8.742 -14.700 -6.692 1.00 72.30 C ATOM 754 OE1 GLU A 46 8.646 -15.930 -6.896 1.00 53.30 O ATOM 755 OE2 GLU A 46 9.688 -14.180 -6.064 1.00 54.30 O ATOM 0 H GLU A 46 4.417 -13.160 -7.884 1.00 61.50 H new ATOM 0 HA GLU A 46 5.860 -15.676 -7.519 1.00 32.30 H new ATOM 0 HB2 GLU A 46 5.918 -12.888 -6.366 1.00 13.10 H new ATOM 0 HB3 GLU A 46 6.597 -14.195 -5.417 1.00 13.10 H new ATOM 0 HG2 GLU A 46 7.452 -14.050 -8.272 1.00 72.20 H new ATOM 0 HG3 GLU A 46 8.010 -12.760 -7.225 1.00 72.20 H new ATOM 762 N ALA A 47 4.060 -16.680 -6.097 1.00 25.30 N ATOM 763 CA ALA A 47 3.214 -17.350 -5.115 1.00 2.45 C ATOM 764 C ALA A 47 4.048 -18.180 -4.144 1.00 55.50 C ATOM 765 O ALA A 47 4.954 -18.900 -4.551 1.00 41.50 O ATOM 766 CB ALA A 47 2.187 -18.230 -5.814 1.00 52.20 C ATOM 0 H ALA A 47 4.311 -17.257 -6.900 1.00 25.30 H new ATOM 0 HA ALA A 47 2.692 -16.584 -4.542 1.00 2.45 H new ATOM 0 HB1 ALA A 47 1.563 -18.723 -5.069 1.00 52.20 H new ATOM 0 HB2 ALA A 47 1.562 -17.615 -6.461 1.00 52.20 H new ATOM 0 HB3 ALA A 47 2.700 -18.982 -6.413 1.00 52.20 H new ATOM 772 N HIS A 48 3.734 -18.060 -2.858 1.00 40.00 N ATOM 773 CA HIS A 48 4.453 -18.800 -1.826 1.00 4.02 C ATOM 774 C HIS A 48 3.503 -19.700 -1.042 1.00 43.20 C ATOM 775 O HIS A 48 2.355 -19.900 -1.436 1.00 12.40 O ATOM 776 CB HIS A 48 5.162 -17.830 -0.878 1.00 73.20 C ATOM 777 CG HIS A 48 6.654 -17.860 -1.000 1.00 64.20 C ATOM 778 ND1 HIS A 48 7.365 -16.950 -1.755 1.00 74.10 N ATOM 779 CD2 HIS A 48 7.572 -18.690 -0.455 1.00 53.40 C ATOM 780 CE1 HIS A 48 8.655 -17.230 -1.672 1.00 44.30 C ATOM 781 NE2 HIS A 48 8.807 -18.280 -0.888 1.00 42.30 N ATOM 0 H HIS A 48 2.989 -17.459 -2.506 1.00 40.00 H new ATOM 0 HA HIS A 48 5.198 -19.429 -2.313 1.00 4.02 H new ATOM 0 HB2 HIS A 48 4.809 -16.818 -1.076 1.00 73.20 H new ATOM 0 HB3 HIS A 48 4.884 -18.069 0.149 1.00 73.20 H new ATOM 0 HD2 HIS A 48 7.370 -19.523 0.201 1.00 53.40 H new ATOM 0 HE1 HIS A 48 9.450 -16.690 -2.164 1.00 44.30 H new ATOM 0 HE2 HIS A 48 9.697 -18.715 -0.644 1.00 42.30 H new ATOM 790 N SER A 49 3.990 -20.240 0.071 1.00 2.33 N ATOM 791 CA SER A 49 3.183 -21.120 0.909 1.00 13.10 C ATOM 792 C SER A 49 1.979 -20.380 1.477 1.00 71.50 C ATOM 793 O SER A 49 1.882 -19.160 1.362 1.00 54.20 O ATOM 794 CB SER A 49 4.030 -21.690 2.048 1.00 53.10 C ATOM 795 OG SER A 49 5.239 -22.250 1.559 1.00 24.10 O ATOM 0 H SER A 49 4.938 -20.084 0.413 1.00 2.33 H new ATOM 0 HA SER A 49 2.821 -21.939 0.288 1.00 13.10 H new ATOM 0 HB2 SER A 49 4.256 -20.902 2.766 1.00 53.10 H new ATOM 0 HB3 SER A 49 3.462 -22.453 2.580 1.00 53.10 H new ATOM 0 HG SER A 49 5.761 -22.605 2.308 1.00 24.10 H new ATOM 801 N ASP A 50 1.063 -21.120 2.089 1.00 0.44 N ATOM 802 CA ASP A 50 -0.136 -20.530 2.675 1.00 3.32 C ATOM 803 C ASP A 50 0.225 -19.480 3.722 1.00 73.30 C ATOM 804 O ASP A 50 -0.432 -18.450 3.829 1.00 31.20 O ATOM 805 CB ASP A 50 -1.008 -21.620 3.304 1.00 3.13 C ATOM 806 CG ASP A 50 -2.146 -22.050 2.397 1.00 30.00 C ATOM 807 OD1 ASP A 50 -1.884 -22.770 1.413 1.00 11.10 O ATOM 808 OD2 ASP A 50 -3.301 -21.660 2.671 1.00 3.22 O ATOM 0 H ASP A 50 1.127 -22.133 2.193 1.00 0.44 H new ATOM 0 HA ASP A 50 -0.696 -20.039 1.879 1.00 3.32 H new ATOM 0 HB2 ASP A 50 -0.389 -22.485 3.539 1.00 3.13 H new ATOM 0 HB3 ASP A 50 -1.417 -21.255 4.246 1.00 3.13 H new ATOM 813 N LYS A 51 1.272 -19.760 4.491 1.00 32.20 N ATOM 814 CA LYS A 51 1.721 -18.840 5.529 1.00 65.10 C ATOM 815 C LYS A 51 2.107 -17.490 4.931 1.00 52.00 C ATOM 816 O LYS A 51 1.668 -16.440 5.403 1.00 51.10 O ATOM 817 CB LYS A 51 2.907 -19.430 6.291 1.00 24.00 C ATOM 818 CG LYS A 51 2.849 -19.190 7.791 1.00 34.20 C ATOM 819 CD LYS A 51 4.167 -19.550 8.463 1.00 24.40 C ATOM 820 CE LYS A 51 3.945 -20.240 9.799 1.00 1.31 C ATOM 821 NZ LYS A 51 4.098 -21.710 9.696 1.00 1.34 N ATOM 0 H LYS A 51 1.824 -20.614 4.415 1.00 32.20 H new ATOM 0 HA LYS A 51 0.894 -18.688 6.223 1.00 65.10 H new ATOM 0 HB2 LYS A 51 2.950 -20.503 6.105 1.00 24.00 H new ATOM 0 HB3 LYS A 51 3.829 -19.002 5.899 1.00 24.00 H new ATOM 0 HG2 LYS A 51 2.614 -18.143 7.985 1.00 34.20 H new ATOM 0 HG3 LYS A 51 2.044 -19.783 8.225 1.00 34.20 H new ATOM 0 HD2 LYS A 51 4.744 -20.203 7.807 1.00 24.40 H new ATOM 0 HD3 LYS A 51 4.758 -18.646 8.613 1.00 24.40 H new ATOM 0 HE2 LYS A 51 4.654 -19.852 10.530 1.00 1.31 H new ATOM 0 HE3 LYS A 51 2.947 -20.004 10.167 1.00 1.31 H new ATOM 0 HZ1 LYS A 51 3.939 -22.142 10.629 1.00 1.34 H new ATOM 0 HZ2 LYS A 51 3.404 -22.085 9.018 1.00 1.34 H new ATOM 0 HZ3 LYS A 51 5.059 -21.937 9.369 1.00 1.34 H new ATOM 835 N ALA A 52 2.934 -17.520 3.891 1.00 70.40 N ATOM 836 CA ALA A 52 3.382 -16.300 3.229 1.00 10.00 C ATOM 837 C ALA A 52 2.270 -15.700 2.379 1.00 63.20 C ATOM 838 O ALA A 52 2.155 -14.480 2.271 1.00 65.20 O ATOM 839 CB ALA A 52 4.606 -16.590 2.372 1.00 14.30 C ATOM 0 H ALA A 52 3.308 -18.379 3.487 1.00 70.40 H new ATOM 0 HA ALA A 52 3.650 -15.573 3.996 1.00 10.00 H new ATOM 0 HB1 ALA A 52 4.933 -15.673 1.882 1.00 14.30 H new ATOM 0 HB2 ALA A 52 5.410 -16.971 3.002 1.00 14.30 H new ATOM 0 HB3 ALA A 52 4.353 -17.335 1.617 1.00 14.30 H new ATOM 845 N LYS A 53 1.455 -16.560 1.775 1.00 3.32 N ATOM 846 CA LYS A 53 0.353 -16.100 0.934 1.00 3.31 C ATOM 847 C LYS A 53 -0.713 -15.390 1.764 1.00 44.40 C ATOM 848 O LYS A 53 -1.291 -14.400 1.331 1.00 32.00 O ATOM 849 CB LYS A 53 -0.267 -17.280 0.185 1.00 25.10 C ATOM 850 CG LYS A 53 -0.878 -16.900 -1.153 1.00 52.20 C ATOM 851 CD LYS A 53 -1.786 -18.000 -1.683 1.00 53.00 C ATOM 852 CE LYS A 53 -2.479 -17.580 -2.969 1.00 22.10 C ATOM 853 NZ LYS A 53 -1.793 -18.120 -4.174 1.00 63.30 N ATOM 0 H LYS A 53 1.535 -17.574 1.851 1.00 3.32 H new ATOM 0 HA LYS A 53 0.753 -15.388 0.212 1.00 3.31 H new ATOM 0 HB2 LYS A 53 0.499 -18.039 0.023 1.00 25.10 H new ATOM 0 HB3 LYS A 53 -1.036 -17.732 0.811 1.00 25.10 H new ATOM 0 HG2 LYS A 53 -1.448 -15.977 -1.045 1.00 52.20 H new ATOM 0 HG3 LYS A 53 -0.085 -16.703 -1.874 1.00 52.20 H new ATOM 0 HD2 LYS A 53 -1.200 -18.902 -1.862 1.00 53.00 H new ATOM 0 HD3 LYS A 53 -2.534 -18.250 -0.930 1.00 53.00 H new ATOM 0 HE2 LYS A 53 -3.512 -17.927 -2.954 1.00 22.10 H new ATOM 0 HE3 LYS A 53 -2.509 -16.492 -3.026 1.00 22.10 H new ATOM 0 HZ1 LYS A 53 -2.298 -17.810 -5.029 1.00 63.30 H new ATOM 0 HZ2 LYS A 53 -0.815 -17.769 -4.203 1.00 63.30 H new ATOM 0 HZ3 LYS A 53 -1.787 -19.159 -4.133 1.00 63.30 H new ATOM 867 N GLU A 54 -0.971 -15.920 2.958 1.00 51.40 N ATOM 868 CA GLU A 54 -1.970 -15.340 3.848 1.00 12.00 C ATOM 869 C GLU A 54 -1.502 -13.990 4.390 1.00 23.20 C ATOM 870 O GLU A 54 -2.290 -13.050 4.514 1.00 42.20 O ATOM 871 CB GLU A 54 -2.267 -16.290 5.006 1.00 5.01 C ATOM 872 CG GLU A 54 -3.461 -17.200 4.758 1.00 75.50 C ATOM 873 CD GLU A 54 -4.345 -17.350 5.980 1.00 13.20 C ATOM 874 OE1 GLU A 54 -5.134 -16.420 6.259 1.00 11.30 O ATOM 875 OE2 GLU A 54 -4.249 -18.390 6.659 1.00 10.00 O ATOM 0 H GLU A 54 -0.503 -16.747 3.329 1.00 51.40 H new ATOM 0 HA GLU A 54 -2.882 -15.184 3.272 1.00 12.00 H new ATOM 0 HB2 GLU A 54 -1.387 -16.904 5.196 1.00 5.01 H new ATOM 0 HB3 GLU A 54 -2.448 -15.705 5.908 1.00 5.01 H new ATOM 0 HG2 GLU A 54 -4.052 -16.801 3.934 1.00 75.50 H new ATOM 0 HG3 GLU A 54 -3.106 -18.183 4.449 1.00 75.50 H new ATOM 882 N SER A 55 -0.216 -13.900 4.715 1.00 24.00 N ATOM 883 CA SER A 55 0.356 -12.670 5.246 1.00 62.00 C ATOM 884 C SER A 55 0.188 -11.520 4.260 1.00 73.10 C ATOM 885 O SER A 55 -0.227 -10.420 4.634 1.00 12.20 O ATOM 886 CB SER A 55 1.840 -12.870 5.565 1.00 33.20 C ATOM 887 OG SER A 55 2.018 -13.330 6.893 1.00 61.20 O ATOM 0 H SER A 55 0.450 -14.667 4.619 1.00 24.00 H new ATOM 0 HA SER A 55 -0.177 -12.418 6.163 1.00 62.00 H new ATOM 0 HB2 SER A 55 2.272 -13.587 4.867 1.00 33.20 H new ATOM 0 HB3 SER A 55 2.375 -11.930 5.427 1.00 33.20 H new ATOM 0 HG SER A 55 2.974 -13.452 7.072 1.00 61.20 H new ATOM 893 N ILE A 56 0.514 -11.780 2.997 1.00 44.30 N ATOM 894 CA ILE A 56 0.401 -10.760 1.956 1.00 14.10 C ATOM 895 C ILE A 56 -1.060 -10.470 1.628 1.00 34.30 C ATOM 896 O ILE A 56 -1.420 -9.335 1.322 1.00 34.40 O ATOM 897 CB ILE A 56 1.127 -11.200 0.668 1.00 64.10 C ATOM 898 CG1 ILE A 56 2.554 -11.650 0.986 1.00 34.10 C ATOM 899 CG2 ILE A 56 1.142 -10.060 -0.343 1.00 33.30 C ATOM 900 CD1 ILE A 56 3.077 -12.710 0.041 1.00 54.30 C ATOM 0 H ILE A 56 0.857 -12.683 2.670 1.00 44.30 H new ATOM 0 HA ILE A 56 0.869 -9.854 2.342 1.00 14.10 H new ATOM 0 HB ILE A 56 0.589 -12.043 0.235 1.00 64.10 H new ATOM 0 HG12 ILE A 56 3.216 -10.785 0.951 1.00 34.10 H new ATOM 0 HG13 ILE A 56 2.587 -12.035 2.005 1.00 34.10 H new ATOM 0 HG21 ILE A 56 1.657 -10.383 -1.248 1.00 33.30 H new ATOM 0 HG22 ILE A 56 0.118 -9.779 -0.589 1.00 33.30 H new ATOM 0 HG23 ILE A 56 1.661 -9.202 0.084 1.00 33.30 H new ATOM 0 HD11 ILE A 56 4.094 -12.982 0.326 1.00 54.30 H new ATOM 0 HD12 ILE A 56 2.438 -13.591 0.093 1.00 54.30 H new ATOM 0 HD13 ILE A 56 3.077 -12.322 -0.977 1.00 54.30 H new ATOM 912 N ARG A 57 -1.895 -11.500 1.691 1.00 22.30 N ATOM 913 CA ARG A 57 -3.316 -11.350 1.397 1.00 64.10 C ATOM 914 C ARG A 57 -3.997 -10.450 2.425 1.00 33.10 C ATOM 915 O ARG A 57 -4.837 -9.625 2.077 1.00 5.14 O ATOM 916 CB ARG A 57 -3.998 -12.720 1.372 1.00 63.40 C ATOM 917 CG ARG A 57 -5.340 -12.720 0.657 1.00 44.30 C ATOM 918 CD ARG A 57 -5.208 -13.200 -0.778 1.00 65.40 C ATOM 919 NE ARG A 57 -6.316 -12.750 -1.614 1.00 11.20 N ATOM 920 CZ ARG A 57 -6.640 -13.300 -2.781 1.00 51.40 C ATOM 921 NH1 ARG A 57 -5.941 -14.330 -3.253 1.00 74.00 N ATOM 922 NH2 ARG A 57 -7.665 -12.830 -3.477 1.00 32.00 N ATOM 0 H ARG A 57 -1.614 -12.448 1.943 1.00 22.30 H new ATOM 0 HA ARG A 57 -3.410 -10.884 0.416 1.00 64.10 H new ATOM 0 HB2 ARG A 57 -3.337 -13.437 0.885 1.00 63.40 H new ATOM 0 HB3 ARG A 57 -4.142 -13.064 2.396 1.00 63.40 H new ATOM 0 HG2 ARG A 57 -6.039 -13.362 1.193 1.00 44.30 H new ATOM 0 HG3 ARG A 57 -5.759 -11.714 0.668 1.00 44.30 H new ATOM 0 HD2 ARG A 57 -4.269 -12.837 -1.196 1.00 65.40 H new ATOM 0 HD3 ARG A 57 -5.163 -14.289 -0.792 1.00 65.40 H new ATOM 0 HE ARG A 57 -6.877 -11.965 -1.283 1.00 11.20 H new ATOM 0 HH11 ARG A 57 -5.154 -14.700 -2.719 1.00 74.00 H new ATOM 0 HH12 ARG A 57 -6.192 -14.749 -4.148 1.00 74.00 H new ATOM 0 HH21 ARG A 57 -8.208 -12.044 -3.118 1.00 32.00 H new ATOM 0 HH22 ARG A 57 -7.911 -13.254 -4.372 1.00 32.00 H new ATOM 936 N ALA A 58 -3.633 -10.620 3.690 1.00 42.20 N ATOM 937 CA ALA A 58 -4.211 -9.833 4.767 1.00 52.30 C ATOM 938 C ALA A 58 -3.594 -8.438 4.820 1.00 5.11 C ATOM 939 O ALA A 58 -4.231 -7.483 5.264 1.00 11.20 O ATOM 940 CB ALA A 58 -4.029 -10.540 6.100 1.00 62.00 C ATOM 0 H ALA A 58 -2.936 -11.300 3.994 1.00 42.20 H new ATOM 0 HA ALA A 58 -5.278 -9.726 4.569 1.00 52.30 H new ATOM 0 HB1 ALA A 58 -4.468 -9.937 6.895 1.00 62.00 H new ATOM 0 HB2 ALA A 58 -4.523 -11.511 6.067 1.00 62.00 H new ATOM 0 HB3 ALA A 58 -2.966 -10.680 6.295 1.00 62.00 H new ATOM 946 N LYS A 59 -2.349 -8.327 4.368 1.00 75.20 N ATOM 947 CA LYS A 59 -1.646 -7.049 4.370 1.00 63.10 C ATOM 948 C LYS A 59 -2.298 -6.061 3.408 1.00 41.20 C ATOM 949 O LYS A 59 -2.600 -4.926 3.778 1.00 35.30 O ATOM 950 CB LYS A 59 -0.177 -7.252 3.991 1.00 34.30 C ATOM 951 CG LYS A 59 0.733 -7.480 5.186 1.00 11.40 C ATOM 952 CD LYS A 59 2.114 -7.946 4.754 1.00 42.50 C ATOM 953 CE LYS A 59 3.192 -7.456 5.708 1.00 0.10 C ATOM 954 NZ LYS A 59 4.497 -8.127 5.463 1.00 30.30 N ATOM 0 H LYS A 59 -1.806 -9.106 3.996 1.00 75.20 H new ATOM 0 HA LYS A 59 -1.704 -6.636 5.377 1.00 63.10 H new ATOM 0 HB2 LYS A 59 -0.099 -8.105 3.317 1.00 34.30 H new ATOM 0 HB3 LYS A 59 0.172 -6.378 3.441 1.00 34.30 H new ATOM 0 HG2 LYS A 59 0.822 -6.557 5.758 1.00 11.40 H new ATOM 0 HG3 LYS A 59 0.287 -8.223 5.847 1.00 11.40 H new ATOM 0 HD2 LYS A 59 2.134 -9.035 4.709 1.00 42.50 H new ATOM 0 HD3 LYS A 59 2.324 -7.582 3.748 1.00 42.50 H new ATOM 0 HE2 LYS A 59 3.312 -6.378 5.598 1.00 0.10 H new ATOM 0 HE3 LYS A 59 2.877 -7.638 6.736 1.00 0.10 H new ATOM 0 HZ1 LYS A 59 5.205 -7.765 6.134 1.00 30.30 H new ATOM 0 HZ2 LYS A 59 4.390 -9.153 5.593 1.00 30.30 H new ATOM 0 HZ3 LYS A 59 4.810 -7.932 4.491 1.00 30.30 H new ATOM 968 N CYS A 60 -2.513 -6.497 2.170 1.00 2.04 N ATOM 969 CA CYS A 60 -3.127 -5.648 1.155 1.00 21.30 C ATOM 970 C CYS A 60 -4.524 -5.206 1.580 1.00 2.41 C ATOM 971 O CYS A 60 -4.952 -4.093 1.274 1.00 43.40 O ATOM 972 CB CYS A 60 -3.197 -6.386 -0.183 1.00 3.44 C ATOM 973 SG CYS A 60 -4.262 -7.847 -0.167 1.00 44.20 S ATOM 0 H CYS A 60 -2.271 -7.433 1.846 1.00 2.04 H new ATOM 0 HA CYS A 60 -2.507 -4.759 1.041 1.00 21.30 H new ATOM 0 HB2 CYS A 60 -3.556 -5.697 -0.947 1.00 3.44 H new ATOM 0 HB3 CYS A 60 -2.190 -6.687 -0.473 1.00 3.44 H new ATOM 0 HG CYS A 60 -4.344 -8.311 1.045 1.00 44.20 H new ATOM 979 N VAL A 61 -5.231 -6.084 2.283 1.00 75.40 N ATOM 980 CA VAL A 61 -6.580 -5.783 2.746 1.00 32.20 C ATOM 981 C VAL A 61 -6.570 -4.674 3.794 1.00 5.52 C ATOM 982 O VAL A 61 -7.479 -3.845 3.843 1.00 21.50 O ATOM 983 CB VAL A 61 -7.263 -7.031 3.341 1.00 23.40 C ATOM 984 CG1 VAL A 61 -8.715 -6.734 3.685 1.00 24.10 C ATOM 985 CG2 VAL A 61 -7.165 -8.204 2.377 1.00 1.40 C ATOM 0 H VAL A 61 -4.892 -7.010 2.545 1.00 75.40 H new ATOM 0 HA VAL A 61 -7.144 -5.450 1.875 1.00 32.20 H new ATOM 0 HB VAL A 61 -6.745 -7.302 4.261 1.00 23.40 H new ATOM 0 HG11 VAL A 61 -9.180 -7.627 4.103 1.00 24.10 H new ATOM 0 HG12 VAL A 61 -8.758 -5.926 4.416 1.00 24.10 H new ATOM 0 HG13 VAL A 61 -9.249 -6.436 2.783 1.00 24.10 H new ATOM 0 HG21 VAL A 61 -7.652 -9.076 2.814 1.00 1.40 H new ATOM 0 HG22 VAL A 61 -7.656 -7.946 1.439 1.00 1.40 H new ATOM 0 HG23 VAL A 61 -6.116 -8.432 2.187 1.00 1.40 H new ATOM 995 N GLN A 62 -5.540 -4.668 4.634 1.00 4.32 N ATOM 996 CA GLN A 62 -5.416 -3.663 5.683 1.00 41.10 C ATOM 997 C GLN A 62 -5.034 -2.305 5.101 1.00 15.30 C ATOM 998 O GLN A 62 -5.485 -1.265 5.581 1.00 62.30 O ATOM 999 CB GLN A 62 -4.373 -4.099 6.715 1.00 15.10 C ATOM 1000 CG GLN A 62 -4.471 -3.348 8.033 1.00 61.30 C ATOM 1001 CD GLN A 62 -4.620 -4.274 9.224 1.00 72.30 C ATOM 1002 OE1 GLN A 62 -3.736 -5.081 9.513 1.00 50.10 O ATOM 1003 NE2 GLN A 62 -5.744 -4.163 9.923 1.00 51.00 N ATOM 0 H GLN A 62 -4.780 -5.347 4.609 1.00 4.32 H new ATOM 0 HA GLN A 62 -6.386 -3.567 6.172 1.00 41.10 H new ATOM 0 HB2 GLN A 62 -4.486 -5.166 6.905 1.00 15.10 H new ATOM 0 HB3 GLN A 62 -3.377 -3.954 6.297 1.00 15.10 H new ATOM 0 HG2 GLN A 62 -3.580 -2.735 8.164 1.00 61.30 H new ATOM 0 HG3 GLN A 62 -5.323 -2.669 7.997 1.00 61.30 H new ATOM 0 HE21 GLN A 62 -6.450 -3.480 9.648 1.00 51.00 H new ATOM 0 HE22 GLN A 62 -5.901 -4.760 10.735 1.00 51.00 H new ATOM 1012 N TYR A 63 -4.199 -2.323 4.068 1.00 14.40 N ATOM 1013 CA TYR A 63 -3.756 -1.091 3.424 1.00 12.30 C ATOM 1014 C TYR A 63 -4.895 -0.437 2.648 1.00 74.30 C ATOM 1015 O TYR A 63 -4.998 0.789 2.594 1.00 11.30 O ATOM 1016 CB TYR A 63 -2.582 -1.377 2.485 1.00 34.30 C ATOM 1017 CG TYR A 63 -1.328 -1.824 3.201 1.00 62.10 C ATOM 1018 CD1 TYR A 63 -0.720 -1.013 4.151 1.00 33.40 C ATOM 1019 CD2 TYR A 63 -0.752 -3.058 2.929 1.00 40.40 C ATOM 1020 CE1 TYR A 63 0.425 -1.418 4.809 1.00 10.20 C ATOM 1021 CE2 TYR A 63 0.394 -3.472 3.582 1.00 51.30 C ATOM 1022 CZ TYR A 63 0.979 -2.648 4.520 1.00 42.40 C ATOM 1023 OH TYR A 63 2.119 -3.055 5.173 1.00 24.50 O ATOM 0 H TYR A 63 -3.816 -3.175 3.659 1.00 14.40 H new ATOM 0 HA TYR A 63 -3.432 -0.401 4.203 1.00 12.30 H new ATOM 0 HB2 TYR A 63 -2.877 -2.147 1.772 1.00 34.30 H new ATOM 0 HB3 TYR A 63 -2.361 -0.478 1.910 1.00 34.30 H new ATOM 0 HD1 TYR A 63 -1.150 -0.049 4.379 1.00 33.40 H new ATOM 0 HD2 TYR A 63 -1.207 -3.706 2.194 1.00 40.40 H new ATOM 0 HE1 TYR A 63 0.884 -0.775 5.546 1.00 10.20 H new ATOM 0 HE2 TYR A 63 0.829 -4.435 3.359 1.00 51.30 H new ATOM 0 HH TYR A 63 2.378 -3.945 4.855 1.00 24.50 H new ATOM 1033 N LEU A 64 -5.744 -1.261 2.045 1.00 23.00 N ATOM 1034 CA LEU A 64 -6.874 -0.761 1.270 1.00 24.20 C ATOM 1035 C LEU A 64 -7.881 -0.045 2.165 1.00 33.40 C ATOM 1036 O LEU A 64 -8.587 0.861 1.720 1.00 62.20 O ATOM 1037 CB LEU A 64 -7.560 -1.913 0.530 1.00 40.40 C ATOM 1038 CG LEU A 64 -7.034 -2.180 -0.881 1.00 33.20 C ATOM 1039 CD1 LEU A 64 -7.023 -3.672 -1.176 1.00 41.20 C ATOM 1040 CD2 LEU A 64 -7.873 -1.438 -1.911 1.00 44.30 C ATOM 0 H LEU A 64 -5.672 -2.278 2.078 1.00 23.00 H new ATOM 0 HA LEU A 64 -6.492 -0.044 0.543 1.00 24.20 H new ATOM 0 HB2 LEU A 64 -7.448 -2.822 1.121 1.00 40.40 H new ATOM 0 HB3 LEU A 64 -8.628 -1.701 0.469 1.00 40.40 H new ATOM 0 HG LEU A 64 -6.010 -1.812 -0.941 1.00 33.20 H new ATOM 0 HD11 LEU A 64 -6.646 -3.841 -2.185 1.00 41.20 H new ATOM 0 HD12 LEU A 64 -6.379 -4.180 -0.458 1.00 41.20 H new ATOM 0 HD13 LEU A 64 -8.036 -4.066 -1.097 1.00 41.20 H new ATOM 0 HD21 LEU A 64 -7.485 -1.639 -2.910 1.00 44.30 H new ATOM 0 HD22 LEU A 64 -8.908 -1.776 -1.849 1.00 44.30 H new ATOM 0 HD23 LEU A 64 -7.828 -0.367 -1.713 1.00 44.30 H new ATOM 1052 N ASP A 65 -7.947 -0.458 3.427 1.00 52.20 N ATOM 1053 CA ASP A 65 -8.871 0.144 4.381 1.00 64.10 C ATOM 1054 C ASP A 65 -8.406 1.539 4.791 1.00 3.04 C ATOM 1055 O ASP A 65 -9.221 2.409 5.097 1.00 0.41 O ATOM 1056 CB ASP A 65 -9.010 -0.747 5.619 1.00 10.20 C ATOM 1057 CG ASP A 65 -10.430 -1.238 5.822 1.00 40.10 C ATOM 1058 OD1 ASP A 65 -11.240 -0.479 6.387 1.00 12.00 O ATOM 1059 OD2 ASP A 65 -10.720 -2.382 5.417 1.00 42.30 O ATOM 0 H ASP A 65 -7.372 -1.207 3.812 1.00 52.20 H new ATOM 0 HA ASP A 65 -9.843 0.237 3.896 1.00 64.10 H new ATOM 0 HB2 ASP A 65 -8.343 -1.603 5.523 1.00 10.20 H new ATOM 0 HB3 ASP A 65 -8.691 -0.191 6.501 1.00 10.20 H new ATOM 1064 N ARG A 66 -7.093 1.744 4.794 1.00 3.10 N ATOM 1065 CA ARG A 66 -6.522 3.033 5.169 1.00 44.40 C ATOM 1066 C ARG A 66 -6.614 4.029 4.016 1.00 11.30 C ATOM 1067 O ARG A 66 -6.785 5.228 4.232 1.00 32.40 O ATOM 1068 CB ARG A 66 -5.063 2.863 5.596 1.00 1.24 C ATOM 1069 CG ARG A 66 -4.901 2.249 6.977 1.00 51.10 C ATOM 1070 CD ARG A 66 -4.792 3.317 8.052 1.00 53.50 C ATOM 1071 NE ARG A 66 -6.102 3.816 8.464 1.00 13.30 N ATOM 1072 CZ ARG A 66 -6.919 3.164 9.286 1.00 13.40 C ATOM 1073 NH1 ARG A 66 -6.567 1.985 9.785 1.00 41.20 N ATOM 1074 NH2 ARG A 66 -8.092 3.689 9.610 1.00 44.40 N ATOM 0 H ARG A 66 -6.405 1.035 4.541 1.00 3.10 H new ATOM 0 HA ARG A 66 -7.097 3.425 6.008 1.00 44.40 H new ATOM 0 HB2 ARG A 66 -4.550 2.236 4.866 1.00 1.24 H new ATOM 0 HB3 ARG A 66 -4.573 3.836 5.580 1.00 1.24 H new ATOM 0 HG2 ARG A 66 -5.752 1.602 7.191 1.00 51.10 H new ATOM 0 HG3 ARG A 66 -4.010 1.621 6.995 1.00 51.10 H new ATOM 0 HD2 ARG A 66 -4.271 2.908 8.918 1.00 53.50 H new ATOM 0 HD3 ARG A 66 -4.189 4.145 7.680 1.00 53.50 H new ATOM 0 HE ARG A 66 -6.408 4.718 8.099 1.00 13.30 H new ATOM 0 HH11 ARG A 66 -5.666 1.575 9.538 1.00 41.20 H new ATOM 0 HH12 ARG A 66 -7.197 1.489 10.415 1.00 41.20 H new ATOM 0 HH21 ARG A 66 -8.369 4.594 9.229 1.00 44.40 H new ATOM 0 HH22 ARG A 66 -8.718 3.188 10.241 1.00 44.40 H new ATOM 1088 N ALA A 67 -6.497 3.523 2.793 1.00 61.40 N ATOM 1089 CA ALA A 67 -6.565 4.369 1.607 1.00 72.30 C ATOM 1090 C ALA A 67 -7.969 4.929 1.406 1.00 5.21 C ATOM 1091 O ALA A 67 -8.142 6.009 0.841 1.00 22.00 O ATOM 1092 CB ALA A 67 -6.125 3.588 0.379 1.00 13.50 C ATOM 0 H ALA A 67 -6.355 2.532 2.597 1.00 61.40 H new ATOM 0 HA ALA A 67 -5.888 5.210 1.753 1.00 72.30 H new ATOM 0 HB1 ALA A 67 -6.180 4.230 -0.500 1.00 13.50 H new ATOM 0 HB2 ALA A 67 -5.099 3.245 0.514 1.00 13.50 H new ATOM 0 HB3 ALA A 67 -6.780 2.728 0.241 1.00 13.50 H new ATOM 1098 N GLU A 68 -8.971 4.186 1.867 1.00 11.40 N ATOM 1099 CA GLU A 68 -10.360 4.610 1.734 1.00 50.50 C ATOM 1100 C GLU A 68 -10.650 5.814 2.623 1.00 14.40 C ATOM 1101 O GLU A 68 -11.180 6.823 2.161 1.00 32.20 O ATOM 1102 CB GLU A 68 -11.300 3.458 2.089 1.00 43.00 C ATOM 1103 CG GLU A 68 -11.640 2.562 0.909 1.00 61.20 C ATOM 1104 CD GLU A 68 -12.680 3.169 -0.002 1.00 31.40 C ATOM 1105 OE1 GLU A 68 -12.380 4.185 -0.663 1.00 34.00 O ATOM 1106 OE2 GLU A 68 -13.810 2.630 -0.054 1.00 53.00 O ATOM 0 H GLU A 68 -8.847 3.288 2.335 1.00 11.40 H new ATOM 0 HA GLU A 68 -10.528 4.901 0.697 1.00 50.50 H new ATOM 0 HB2 GLU A 68 -10.841 2.854 2.872 1.00 43.00 H new ATOM 0 HB3 GLU A 68 -12.222 3.867 2.501 1.00 43.00 H new ATOM 0 HG2 GLU A 68 -10.734 2.362 0.337 1.00 61.20 H new ATOM 0 HG3 GLU A 68 -12.002 1.603 1.279 1.00 61.20 H new ATOM 1113 N LYS A 69 -10.300 5.700 3.901 1.00 5.32 N ATOM 1114 CA LYS A 69 -10.530 6.779 4.855 1.00 13.40 C ATOM 1115 C LYS A 69 -9.828 8.059 4.421 1.00 13.10 C ATOM 1116 O LYS A 69 -10.340 9.161 4.603 1.00 14.40 O ATOM 1117 CB LYS A 69 -10.060 6.366 6.248 1.00 24.10 C ATOM 1118 CG LYS A 69 -10.900 6.932 7.376 1.00 43.00 C ATOM 1119 CD LYS A 69 -10.050 7.311 8.578 1.00 64.40 C ATOM 1120 CE LYS A 69 -9.769 8.802 8.607 1.00 30.40 C ATOM 1121 NZ LYS A 69 -8.918 9.180 9.769 1.00 24.10 N ATOM 0 H LYS A 69 -9.857 4.872 4.299 1.00 5.32 H new ATOM 0 HA LYS A 69 -11.602 6.975 4.886 1.00 13.40 H new ATOM 0 HB2 LYS A 69 -10.067 5.278 6.315 1.00 24.10 H new ATOM 0 HB3 LYS A 69 -9.027 6.687 6.382 1.00 24.10 H new ATOM 0 HG2 LYS A 69 -11.440 7.810 7.022 1.00 43.00 H new ATOM 0 HG3 LYS A 69 -11.647 6.198 7.676 1.00 43.00 H new ATOM 0 HD2 LYS A 69 -10.561 7.017 9.495 1.00 64.40 H new ATOM 0 HD3 LYS A 69 -9.109 6.762 8.548 1.00 64.40 H new ATOM 0 HE2 LYS A 69 -9.274 9.097 7.682 1.00 30.40 H new ATOM 0 HE3 LYS A 69 -10.711 9.349 8.653 1.00 30.40 H new ATOM 0 HZ1 LYS A 69 -8.747 10.206 9.755 1.00 24.10 H new ATOM 0 HZ2 LYS A 69 -9.402 8.921 10.652 1.00 24.10 H new ATOM 0 HZ3 LYS A 69 -8.009 8.677 9.712 1.00 24.10 H new ATOM 1135 N LEU A 70 -8.640 7.905 3.847 1.00 53.40 N ATOM 1136 CA LEU A 70 -7.859 9.048 3.390 1.00 61.30 C ATOM 1137 C LEU A 70 -8.620 9.845 2.335 1.00 1.04 C ATOM 1138 O LEU A 70 -8.667 11.074 2.385 1.00 34.40 O ATOM 1139 CB LEU A 70 -6.517 8.581 2.822 1.00 73.20 C ATOM 1140 CG LEU A 70 -5.518 8.067 3.860 1.00 72.10 C ATOM 1141 CD1 LEU A 70 -4.540 7.092 3.222 1.00 4.24 C ATOM 1142 CD2 LEU A 70 -4.774 9.228 4.503 1.00 22.30 C ATOM 0 H LEU A 70 -8.197 7.000 3.687 1.00 53.40 H new ATOM 0 HA LEU A 70 -7.679 9.697 4.247 1.00 61.30 H new ATOM 0 HB2 LEU A 70 -6.703 7.790 2.096 1.00 73.20 H new ATOM 0 HB3 LEU A 70 -6.061 9.410 2.280 1.00 73.20 H new ATOM 0 HG LEU A 70 -6.070 7.539 4.638 1.00 72.10 H new ATOM 0 HD11 LEU A 70 -3.837 6.737 3.975 1.00 4.24 H new ATOM 0 HD12 LEU A 70 -5.088 6.245 2.809 1.00 4.24 H new ATOM 0 HD13 LEU A 70 -3.994 7.595 2.424 1.00 4.24 H new ATOM 0 HD21 LEU A 70 -4.067 8.844 5.239 1.00 22.30 H new ATOM 0 HD22 LEU A 70 -4.234 9.783 3.736 1.00 22.30 H new ATOM 0 HD23 LEU A 70 -5.487 9.889 4.995 1.00 22.30 H new ATOM 1154 N LYS A 71 -9.213 9.138 1.378 1.00 31.30 N ATOM 1155 CA LYS A 71 -9.970 9.780 0.310 1.00 42.40 C ATOM 1156 C LYS A 71 -11.220 10.449 0.857 1.00 3.10 C ATOM 1157 O LYS A 71 -11.520 11.597 0.527 1.00 53.10 O ATOM 1158 CB LYS A 71 -10.340 8.757 -0.763 1.00 55.50 C ATOM 1159 CG LYS A 71 -10.240 9.298 -2.180 1.00 10.20 C ATOM 1160 CD LYS A 71 -11.380 8.786 -3.055 1.00 44.30 C ATOM 1161 CE LYS A 71 -10.870 8.349 -4.421 1.00 31.00 C ATOM 1162 NZ LYS A 71 -11.610 7.157 -4.930 1.00 33.10 N ATOM 0 H LYS A 71 -9.184 8.120 1.321 1.00 31.30 H new ATOM 0 HA LYS A 71 -9.343 10.550 -0.139 1.00 42.40 H new ATOM 0 HB2 LYS A 71 -9.687 7.890 -0.667 1.00 55.50 H new ATOM 0 HB3 LYS A 71 -11.358 8.410 -0.587 1.00 55.50 H new ATOM 0 HG2 LYS A 71 -10.259 10.388 -2.157 1.00 10.20 H new ATOM 0 HG3 LYS A 71 -9.285 9.005 -2.616 1.00 10.20 H new ATOM 0 HD2 LYS A 71 -11.872 7.948 -2.562 1.00 44.30 H new ATOM 0 HD3 LYS A 71 -12.129 9.569 -3.176 1.00 44.30 H new ATOM 0 HE2 LYS A 71 -10.974 9.172 -5.129 1.00 31.00 H new ATOM 0 HE3 LYS A 71 -9.807 8.117 -4.356 1.00 31.00 H new ATOM 0 HZ1 LYS A 71 -11.236 6.888 -5.862 1.00 33.10 H new ATOM 0 HZ2 LYS A 71 -11.490 6.365 -4.267 1.00 33.10 H new ATOM 0 HZ3 LYS A 71 -12.621 7.387 -5.016 1.00 33.10 H new ATOM 1176 N ASP A 72 -11.960 9.723 1.692 1.00 34.30 N ATOM 1177 CA ASP A 72 -13.190 10.245 2.282 1.00 73.00 C ATOM 1178 C ASP A 72 -12.910 11.481 3.130 1.00 62.20 C ATOM 1179 O ASP A 72 -13.760 12.356 3.272 1.00 64.50 O ATOM 1180 CB ASP A 72 -13.860 9.171 3.136 1.00 63.20 C ATOM 1181 CG ASP A 72 -14.870 8.352 2.347 1.00 3.13 C ATOM 1182 OD1 ASP A 72 -14.440 7.510 1.532 1.00 42.40 O ATOM 1183 OD2 ASP A 72 -16.080 8.554 2.544 1.00 22.40 O ATOM 0 H ASP A 72 -11.729 8.771 1.975 1.00 34.30 H new ATOM 0 HA ASP A 72 -13.859 10.530 1.471 1.00 73.00 H new ATOM 0 HB2 ASP A 72 -13.098 8.508 3.545 1.00 63.20 H new ATOM 0 HB3 ASP A 72 -14.360 9.642 3.982 1.00 63.20 H new ATOM 1188 N TYR A 73 -11.700 11.547 3.696 1.00 11.10 N ATOM 1189 CA TYR A 73 -11.320 12.677 4.533 1.00 3.42 C ATOM 1190 C TYR A 73 -11.060 13.922 3.689 1.00 44.40 C ATOM 1191 O TYR A 73 -11.590 14.998 3.982 1.00 1.24 O ATOM 1192 CB TYR A 73 -10.060 12.333 5.340 1.00 41.40 C ATOM 1193 CG TYR A 73 -9.616 13.445 6.261 1.00 45.20 C ATOM 1194 CD1 TYR A 73 -10.190 13.612 7.513 1.00 64.10 C ATOM 1195 CD2 TYR A 73 -8.614 14.327 5.878 1.00 72.30 C ATOM 1196 CE1 TYR A 73 -9.786 14.628 8.357 1.00 10.00 C ATOM 1197 CE2 TYR A 73 -8.200 15.344 6.716 1.00 12.50 C ATOM 1198 CZ TYR A 73 -8.789 15.491 7.955 1.00 70.30 C ATOM 1199 OH TYR A 73 -8.380 16.503 8.792 1.00 14.10 O ATOM 0 H TYR A 73 -10.977 10.836 3.588 1.00 11.10 H new ATOM 0 HA TYR A 73 -12.146 12.885 5.214 1.00 3.42 H new ATOM 0 HB2 TYR A 73 -10.249 11.436 5.930 1.00 41.40 H new ATOM 0 HB3 TYR A 73 -9.249 12.096 4.651 1.00 41.40 H new ATOM 0 HD1 TYR A 73 -10.968 12.935 7.834 1.00 64.10 H new ATOM 0 HD2 TYR A 73 -8.151 14.216 4.909 1.00 72.30 H new ATOM 0 HE1 TYR A 73 -10.248 14.746 9.326 1.00 10.00 H new ATOM 0 HE2 TYR A 73 -7.419 16.021 6.403 1.00 12.50 H new ATOM 0 HH TYR A 73 -7.669 17.019 8.358 1.00 14.10 H new ATOM 1209 N LEU A 74 -10.260 13.771 2.641 1.00 54.30 N ATOM 1210 CA LEU A 74 -9.944 14.887 1.757 1.00 21.10 C ATOM 1211 C LEU A 74 -11.140 15.259 0.888 1.00 63.40 C ATOM 1212 O LEU A 74 -11.290 16.415 0.494 1.00 61.30 O ATOM 1213 CB LEU A 74 -8.744 14.537 0.873 1.00 12.40 C ATOM 1214 CG LEU A 74 -8.928 13.302 -0.013 1.00 32.40 C ATOM 1215 CD1 LEU A 74 -9.674 13.666 -1.286 1.00 41.20 C ATOM 1216 CD2 LEU A 74 -7.579 12.680 -0.341 1.00 4.33 C ATOM 0 H LEU A 74 -9.819 12.889 2.382 1.00 54.30 H new ATOM 0 HA LEU A 74 -9.695 15.747 2.378 1.00 21.10 H new ATOM 0 HB2 LEU A 74 -8.521 15.392 0.235 1.00 12.40 H new ATOM 0 HB3 LEU A 74 -7.875 14.380 1.512 1.00 12.40 H new ATOM 0 HG LEU A 74 -9.522 12.569 0.533 1.00 32.40 H new ATOM 0 HD11 LEU A 74 -9.796 12.776 -1.904 1.00 41.20 H new ATOM 0 HD12 LEU A 74 -10.655 14.067 -1.031 1.00 41.20 H new ATOM 0 HD13 LEU A 74 -9.107 14.416 -1.838 1.00 41.20 H new ATOM 0 HD21 LEU A 74 -7.726 11.803 -0.971 1.00 4.33 H new ATOM 0 HD22 LEU A 74 -6.962 13.407 -0.869 1.00 4.33 H new ATOM 0 HD23 LEU A 74 -7.081 12.384 0.582 1.00 4.33 H new ATOM 1228 N ARG A 75 -11.980 14.274 0.591 1.00 24.40 N ATOM 1229 CA ARG A 75 -13.160 14.504 -0.233 1.00 42.20 C ATOM 1230 C ARG A 75 -14.230 15.269 0.545 1.00 15.30 C ATOM 1231 O ARG A 75 -14.930 16.115 -0.012 1.00 74.10 O ATOM 1232 CB ARG A 75 -13.730 13.174 -0.728 1.00 65.40 C ATOM 1233 CG ARG A 75 -13.130 12.711 -2.047 1.00 64.00 C ATOM 1234 CD ARG A 75 -14.210 12.242 -3.014 1.00 74.20 C ATOM 1235 NE ARG A 75 -13.690 11.295 -3.997 1.00 34.20 N ATOM 1236 CZ ARG A 75 -14.450 10.494 -4.733 1.00 21.20 C ATOM 1237 NH1 ARG A 75 -15.770 10.518 -4.598 1.00 64.20 N ATOM 1238 NH2 ARG A 75 -13.900 9.666 -5.607 1.00 21.10 N ATOM 0 H ARG A 75 -11.866 13.311 0.908 1.00 24.40 H new ATOM 0 HA ARG A 75 -12.859 15.106 -1.091 1.00 42.20 H new ATOM 0 HB2 ARG A 75 -13.557 12.409 0.029 1.00 65.40 H new ATOM 0 HB3 ARG A 75 -14.810 13.271 -0.843 1.00 65.40 H new ATOM 0 HG2 ARG A 75 -12.565 13.527 -2.498 1.00 64.00 H new ATOM 0 HG3 ARG A 75 -12.426 11.899 -1.863 1.00 64.00 H new ATOM 0 HD2 ARG A 75 -15.020 11.775 -2.454 1.00 74.20 H new ATOM 0 HD3 ARG A 75 -14.634 13.104 -3.530 1.00 74.20 H new ATOM 0 HE ARG A 75 -12.679 11.246 -4.126 1.00 34.20 H new ATOM 0 HH11 ARG A 75 -16.203 11.153 -3.927 1.00 64.20 H new ATOM 0 HH12 ARG A 75 -16.352 9.901 -5.165 1.00 64.20 H new ATOM 0 HH21 ARG A 75 -12.886 9.641 -5.718 1.00 21.10 H new ATOM 0 HH22 ARG A 75 -14.490 9.053 -6.170 1.00 21.10 H new ATOM 1252 N SER A 76 -14.340 14.965 1.832 1.00 53.40 N ATOM 1253 CA SER A 76 -15.330 15.625 2.686 1.00 42.30 C ATOM 1254 C SER A 76 -14.990 17.103 2.859 1.00 72.00 C ATOM 1255 O SER A 76 -15.800 17.973 2.519 1.00 25.40 O ATOM 1256 CB SER A 76 -15.380 14.940 4.054 1.00 51.00 C ATOM 1257 OG SER A 76 -16.380 13.929 4.078 1.00 52.20 O ATOM 0 H SER A 76 -13.763 14.272 2.308 1.00 53.40 H new ATOM 0 HA SER A 76 -16.306 15.546 2.208 1.00 42.30 H new ATOM 0 HB2 SER A 76 -14.408 14.502 4.282 1.00 51.00 H new ATOM 0 HB3 SER A 76 -15.586 15.679 4.828 1.00 51.00 H new ATOM 0 HG SER A 76 -16.394 13.503 4.961 1.00 52.20 H new