USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= -0.973 (180deg=-1.06) USER MOD Single : A 11 SER OG : rot 120:sc= -0.655 USER MOD Single : A 12 ASN : amide:sc= -0.0444 X(o=-0.044,f=-0.099) USER MOD Single : A 16 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.003) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -150:sc= -0.118 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 71:sc= 0.533 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.0101 (180deg=-0.171) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= 0.268 (180deg=0.0604) USER MOD Single : A 33 THR OG1 : rot -90:sc= -2.28! USER MOD Single : A 46 ASN : amide:sc= -0.893 X(o=-0.89,f=-0.66) USER MOD Single : A 50 ASN : amide:sc= -0.061 K(o=-0.061,f=-0.99) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -2.93! C(o=-6.5!,f=-2.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -133:sc= -0.76 (180deg=-2.95!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -107:sc= 1.19 USER MOD Single : A 72 THR OG1 : rot 154:sc= -0.0656! USER MOD Single : A 76 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 80 SER OG : rot 101:sc= 1.13 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 101.151 113.849 -41.623 1.00 0.00 N ATOM 54 CA VAL A 4 102.351 113.595 -40.840 1.00 0.00 C ATOM 55 C VAL A 4 103.199 114.863 -40.625 1.00 0.00 C ATOM 56 O VAL A 4 103.761 115.072 -39.560 1.00 0.00 O ATOM 57 CB VAL A 4 103.182 112.504 -41.506 1.00 0.00 C ATOM 58 CG1 VAL A 4 102.359 111.229 -41.703 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.789 112.995 -42.813 1.00 0.00 C ATOM 0 HA VAL A 4 102.031 113.262 -39.853 1.00 0.00 H new ATOM 0 HB VAL A 4 104.009 112.256 -40.841 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.976 110.468 -42.180 1.00 0.00 H new ATOM 0 HG12 VAL A 4 102.016 110.864 -40.735 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.498 111.446 -42.335 1.00 0.00 H new ATOM 0 HG21 VAL A 4 104.376 112.195 -43.265 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.992 113.291 -43.496 1.00 0.00 H new ATOM 0 HG23 VAL A 4 104.434 113.851 -42.616 1.00 0.00 H new ATOM 69 N THR A 5 103.270 115.692 -41.680 1.00 0.00 N ATOM 70 CA THR A 5 104.033 116.924 -41.562 1.00 0.00 C ATOM 71 C THR A 5 103.507 117.819 -40.414 1.00 0.00 C ATOM 72 O THR A 5 104.282 118.442 -39.698 1.00 0.00 O ATOM 73 CB THR A 5 103.885 117.681 -42.892 1.00 0.00 C ATOM 74 OG1 THR A 5 104.338 116.918 -43.994 1.00 0.00 O ATOM 75 CG2 THR A 5 104.480 119.095 -42.841 1.00 0.00 C ATOM 0 H THR A 5 102.825 115.534 -42.584 1.00 0.00 H new ATOM 0 HA THR A 5 105.073 116.682 -41.341 1.00 0.00 H new ATOM 0 HB THR A 5 102.817 117.828 -43.051 1.00 0.00 H new ATOM 0 HG1 THR A 5 104.225 117.435 -44.819 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.346 119.581 -43.807 1.00 0.00 H new ATOM 0 HG22 THR A 5 103.973 119.675 -42.070 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.543 119.034 -42.609 1.00 0.00 H new ATOM 83 N TYR A 6 102.165 117.849 -40.277 1.00 0.00 N ATOM 84 CA TYR A 6 101.584 118.505 -39.114 1.00 0.00 C ATOM 85 C TYR A 6 101.969 117.807 -37.794 1.00 0.00 C ATOM 86 O TYR A 6 102.183 118.464 -36.785 1.00 0.00 O ATOM 87 CB TYR A 6 100.057 118.565 -39.242 1.00 0.00 C ATOM 88 CG TYR A 6 99.604 119.551 -40.290 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.039 120.900 -40.234 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.737 119.154 -41.341 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.627 121.835 -41.215 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.328 120.083 -42.330 1.00 0.00 C ATOM 93 CZ TYR A 6 98.776 121.423 -42.269 1.00 0.00 C ATOM 94 OH TYR A 6 98.385 122.327 -43.236 1.00 0.00 O ATOM 0 H TYR A 6 101.498 117.442 -40.932 1.00 0.00 H new ATOM 0 HA TYR A 6 101.990 119.516 -39.083 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.677 117.574 -39.491 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.625 118.839 -38.279 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.692 121.218 -39.434 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.385 118.134 -41.388 1.00 0.00 H new ATOM 0 HE1 TYR A 6 99.961 122.860 -41.159 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.674 119.768 -43.130 1.00 0.00 H new ATOM 0 HH TYR A 6 97.803 121.880 -43.886 1.00 0.00 H new ATOM 104 N ILE A 7 102.026 116.458 -37.838 1.00 0.00 N ATOM 105 CA ILE A 7 102.452 115.721 -36.655 1.00 0.00 C ATOM 106 C ILE A 7 103.872 116.125 -36.213 1.00 0.00 C ATOM 107 O ILE A 7 104.130 116.369 -35.041 1.00 0.00 O ATOM 108 CB ILE A 7 102.385 114.219 -36.939 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.002 113.822 -37.454 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.760 113.411 -35.696 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.900 114.325 -36.525 1.00 0.00 C ATOM 0 H ILE A 7 101.791 115.887 -38.650 1.00 0.00 H new ATOM 0 HA ILE A 7 101.777 115.968 -35.836 1.00 0.00 H new ATOM 0 HB ILE A 7 103.111 113.991 -37.719 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.853 114.230 -38.454 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.941 112.737 -37.540 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.705 112.346 -35.924 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.775 113.664 -35.390 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.068 113.645 -34.887 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.928 114.027 -36.918 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.037 113.896 -35.532 1.00 0.00 H new ATOM 0 HD13 ILE A 7 99.947 115.412 -36.460 1.00 0.00 H new ATOM 123 N ILE A 8 104.767 116.173 -37.219 1.00 0.00 N ATOM 124 CA ILE A 8 106.116 116.670 -36.996 1.00 0.00 C ATOM 125 C ILE A 8 106.102 118.092 -36.404 1.00 0.00 C ATOM 126 O ILE A 8 106.760 118.375 -35.411 1.00 0.00 O ATOM 127 CB ILE A 8 106.871 116.668 -38.329 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.911 115.270 -38.954 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.287 117.217 -38.154 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.369 115.301 -40.412 1.00 0.00 C ATOM 0 H ILE A 8 104.574 115.876 -38.176 1.00 0.00 H new ATOM 0 HA ILE A 8 106.614 116.018 -36.278 1.00 0.00 H new ATOM 0 HB ILE A 8 106.327 117.321 -39.011 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.584 114.635 -38.377 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.920 114.820 -38.896 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.803 117.205 -39.114 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.237 118.240 -37.781 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.832 116.597 -37.442 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.381 114.287 -40.811 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.682 115.913 -40.996 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.371 115.726 -40.470 1.00 0.00 H new ATOM 142 N LYS A 9 105.315 118.960 -37.074 1.00 0.00 N ATOM 143 CA LYS A 9 105.182 120.334 -36.616 1.00 0.00 C ATOM 144 C LYS A 9 104.729 120.406 -35.144 1.00 0.00 C ATOM 145 O LYS A 9 105.330 121.088 -34.324 1.00 0.00 O ATOM 146 CB LYS A 9 104.140 121.027 -37.494 1.00 0.00 C ATOM 147 CG LYS A 9 104.255 122.550 -37.428 1.00 0.00 C ATOM 148 CD LYS A 9 105.014 123.118 -38.628 1.00 0.00 C ATOM 149 CE LYS A 9 106.500 122.761 -38.585 1.00 0.00 C ATOM 150 NZ LYS A 9 107.130 123.156 -37.331 1.00 0.00 N ATOM 0 H LYS A 9 104.780 118.730 -37.911 1.00 0.00 H new ATOM 0 HA LYS A 9 106.154 120.823 -36.688 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.260 120.699 -38.526 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.141 120.725 -37.178 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.258 122.988 -37.389 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.765 122.836 -36.508 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.575 122.735 -39.549 1.00 0.00 H new ATOM 0 HD3 LYS A 9 104.902 124.202 -38.648 1.00 0.00 H new ATOM 0 HE2 LYS A 9 106.617 121.686 -38.725 1.00 0.00 H new ATOM 0 HE3 LYS A 9 107.012 123.248 -39.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 108.158 123.018 -37.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 106.927 124.158 -37.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 106.755 122.574 -36.555 1.00 0.00 H new ATOM 164 N ALA A 10 103.637 119.664 -34.872 1.00 0.00 N ATOM 165 CA ALA A 10 102.994 119.785 -33.572 1.00 0.00 C ATOM 166 C ALA A 10 103.880 119.206 -32.456 1.00 0.00 C ATOM 167 O ALA A 10 104.057 119.820 -31.411 1.00 0.00 O ATOM 168 CB ALA A 10 101.639 119.070 -33.581 1.00 0.00 C ATOM 0 H ALA A 10 103.203 119.002 -35.515 1.00 0.00 H new ATOM 0 HA ALA A 10 102.841 120.846 -33.373 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.169 119.168 -32.602 1.00 0.00 H new ATOM 0 HB2 ALA A 10 100.996 119.518 -34.339 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.786 118.014 -33.808 1.00 0.00 H new ATOM 174 N SER A 11 104.425 118.000 -32.730 1.00 0.00 N ATOM 175 CA SER A 11 105.392 117.450 -31.793 1.00 0.00 C ATOM 176 C SER A 11 106.548 118.429 -31.498 1.00 0.00 C ATOM 177 O SER A 11 106.947 118.622 -30.355 1.00 0.00 O ATOM 178 CB SER A 11 105.971 116.140 -32.355 1.00 0.00 C ATOM 179 OG SER A 11 107.054 115.592 -31.611 1.00 0.00 O ATOM 0 H SER A 11 104.219 117.426 -33.548 1.00 0.00 H new ATOM 0 HA SER A 11 104.865 117.266 -30.857 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.173 115.400 -32.405 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.305 116.317 -33.377 1.00 0.00 H new ATOM 0 HG SER A 11 106.813 114.697 -31.294 1.00 0.00 H new ATOM 185 N ASN A 12 107.044 119.012 -32.612 1.00 0.00 N ATOM 186 CA ASN A 12 108.076 120.044 -32.628 1.00 0.00 C ATOM 187 C ASN A 12 109.398 119.455 -33.122 1.00 0.00 C ATOM 188 O ASN A 12 110.392 119.402 -32.408 1.00 0.00 O ATOM 189 CB ASN A 12 108.274 120.717 -31.267 1.00 0.00 C ATOM 190 CG ASN A 12 109.150 121.960 -31.424 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.333 121.964 -31.109 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.481 123.011 -31.932 1.00 0.00 N ATOM 0 H ASN A 12 106.720 118.762 -33.546 1.00 0.00 H new ATOM 0 HA ASN A 12 107.735 120.820 -33.314 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.308 120.993 -30.844 1.00 0.00 H new ATOM 0 HB3 ASN A 12 108.739 120.019 -30.571 1.00 0.00 H new ATOM 0 HD21 ASN A 12 108.962 123.898 -32.081 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.493 122.921 -32.168 1.00 0.00 H new ATOM 199 N ASP A 13 109.333 119.017 -34.396 1.00 0.00 N ATOM 200 CA ASP A 13 110.530 118.492 -35.041 1.00 0.00 C ATOM 201 C ASP A 13 111.206 117.394 -34.198 1.00 0.00 C ATOM 202 O ASP A 13 112.408 117.418 -33.961 1.00 0.00 O ATOM 203 CB ASP A 13 111.514 119.632 -35.296 1.00 0.00 C ATOM 204 CG ASP A 13 112.561 119.196 -36.321 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.181 118.627 -37.343 1.00 0.00 O ATOM 206 OD2 ASP A 13 113.747 119.430 -36.086 1.00 0.00 O ATOM 0 H ASP A 13 108.492 119.019 -34.973 1.00 0.00 H new ATOM 0 HA ASP A 13 110.229 118.040 -35.986 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.980 120.510 -35.659 1.00 0.00 H new ATOM 0 HB3 ASP A 13 112.002 119.918 -34.364 1.00 0.00 H new ATOM 211 N VAL A 14 110.357 116.439 -33.767 1.00 0.00 N ATOM 212 CA VAL A 14 110.853 115.126 -33.390 1.00 0.00 C ATOM 213 C VAL A 14 110.693 114.154 -34.563 1.00 0.00 C ATOM 214 O VAL A 14 111.659 113.611 -35.084 1.00 0.00 O ATOM 215 CB VAL A 14 110.064 114.638 -32.175 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.397 113.186 -31.826 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.318 115.551 -30.975 1.00 0.00 C ATOM 0 H VAL A 14 109.348 116.560 -33.677 1.00 0.00 H new ATOM 0 HA VAL A 14 111.912 115.181 -33.136 1.00 0.00 H new ATOM 0 HB VAL A 14 109.005 114.676 -32.432 1.00 0.00 H new ATOM 0 HG11 VAL A 14 109.815 112.878 -30.957 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.153 112.543 -32.672 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.460 113.101 -31.600 1.00 0.00 H new ATOM 0 HG21 VAL A 14 109.750 115.191 -30.117 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.381 115.547 -30.733 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.005 116.566 -31.218 1.00 0.00 H new ATOM 227 N LEU A 15 109.411 113.972 -34.940 1.00 0.00 N ATOM 228 CA LEU A 15 109.114 112.915 -35.888 1.00 0.00 C ATOM 229 C LEU A 15 109.782 113.231 -37.229 1.00 0.00 C ATOM 230 O LEU A 15 110.273 114.327 -37.471 1.00 0.00 O ATOM 231 CB LEU A 15 107.602 112.780 -36.111 1.00 0.00 C ATOM 232 CG LEU A 15 106.778 112.391 -34.876 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.159 111.020 -34.311 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.828 113.464 -33.790 1.00 0.00 C ATOM 0 H LEU A 15 108.613 114.518 -34.615 1.00 0.00 H new ATOM 0 HA LEU A 15 109.495 111.978 -35.481 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.224 113.728 -36.493 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.433 112.034 -36.887 1.00 0.00 H new ATOM 0 HG LEU A 15 105.747 112.315 -35.223 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.542 110.801 -33.439 1.00 0.00 H new ATOM 0 HD12 LEU A 15 106.997 110.256 -35.071 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.209 111.026 -34.020 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.231 113.145 -32.936 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.860 113.615 -33.475 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.428 114.399 -34.183 1.00 0.00 H new ATOM 246 N ASN A 16 109.763 112.187 -38.078 1.00 0.00 N ATOM 247 CA ASN A 16 109.803 112.418 -39.515 1.00 0.00 C ATOM 248 C ASN A 16 108.364 112.377 -40.060 1.00 0.00 C ATOM 249 O ASN A 16 107.403 112.565 -39.325 1.00 0.00 O ATOM 250 CB ASN A 16 110.707 111.359 -40.162 1.00 0.00 C ATOM 251 CG ASN A 16 112.148 111.517 -39.670 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.989 112.133 -40.315 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.369 110.917 -38.486 1.00 0.00 N ATOM 0 H ASN A 16 109.721 111.208 -37.796 1.00 0.00 H new ATOM 0 HA ASN A 16 110.221 113.397 -39.752 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.340 110.361 -39.920 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.673 111.456 -41.247 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.295 110.956 -38.060 1.00 0.00 H new ATOM 0 HD22 ASN A 16 111.611 110.424 -38.015 1.00 0.00 H new ATOM 260 N GLU A 17 108.272 112.120 -41.381 1.00 0.00 N ATOM 261 CA GLU A 17 107.158 111.326 -41.885 1.00 0.00 C ATOM 262 C GLU A 17 106.997 110.006 -41.105 1.00 0.00 C ATOM 263 O GLU A 17 105.932 109.694 -40.586 1.00 0.00 O ATOM 264 CB GLU A 17 107.383 111.023 -43.367 1.00 0.00 C ATOM 265 CG GLU A 17 107.011 112.208 -44.259 1.00 0.00 C ATOM 266 CD GLU A 17 108.013 113.348 -44.060 1.00 0.00 C ATOM 267 OE1 GLU A 17 109.121 113.253 -44.586 1.00 0.00 O ATOM 268 OE2 GLU A 17 107.673 114.316 -43.382 1.00 0.00 O ATOM 0 H GLU A 17 108.934 112.442 -42.087 1.00 0.00 H new ATOM 0 HA GLU A 17 106.243 111.904 -41.752 1.00 0.00 H new ATOM 0 HB2 GLU A 17 108.429 110.762 -43.529 1.00 0.00 H new ATOM 0 HB3 GLU A 17 106.790 110.154 -43.653 1.00 0.00 H new ATOM 0 HG2 GLU A 17 107.003 111.899 -45.304 1.00 0.00 H new ATOM 0 HG3 GLU A 17 106.005 112.552 -44.020 1.00 0.00 H new ATOM 275 N LYS A 18 108.120 109.263 -41.065 1.00 0.00 N ATOM 276 CA LYS A 18 108.005 107.837 -40.810 1.00 0.00 C ATOM 277 C LYS A 18 107.435 107.555 -39.409 1.00 0.00 C ATOM 278 O LYS A 18 106.496 106.788 -39.249 1.00 0.00 O ATOM 279 CB LYS A 18 109.384 107.198 -40.950 1.00 0.00 C ATOM 280 CG LYS A 18 109.995 107.450 -42.324 1.00 0.00 C ATOM 281 CD LYS A 18 111.230 106.582 -42.550 1.00 0.00 C ATOM 282 CE LYS A 18 112.322 107.318 -43.329 1.00 0.00 C ATOM 283 NZ LYS A 18 112.271 107.037 -44.758 1.00 0.00 N ATOM 0 H LYS A 18 109.068 109.615 -41.200 1.00 0.00 H new ATOM 0 HA LYS A 18 107.314 107.409 -41.536 1.00 0.00 H new ATOM 0 HB2 LYS A 18 110.047 107.594 -40.181 1.00 0.00 H new ATOM 0 HB3 LYS A 18 109.305 106.124 -40.780 1.00 0.00 H new ATOM 0 HG2 LYS A 18 109.255 107.242 -43.097 1.00 0.00 H new ATOM 0 HG3 LYS A 18 110.265 108.502 -42.417 1.00 0.00 H new ATOM 0 HD2 LYS A 18 111.627 106.261 -41.587 1.00 0.00 H new ATOM 0 HD3 LYS A 18 110.944 105.681 -43.093 1.00 0.00 H new ATOM 0 HE2 LYS A 18 112.218 108.391 -43.169 1.00 0.00 H new ATOM 0 HE3 LYS A 18 113.299 107.031 -42.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 113.030 107.558 -45.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.397 106.017 -44.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 111.350 107.335 -45.138 1.00 0.00 H new ATOM 297 N THR A 19 108.045 108.229 -38.415 1.00 0.00 N ATOM 298 CA THR A 19 107.525 108.114 -37.060 1.00 0.00 C ATOM 299 C THR A 19 106.187 108.850 -36.849 1.00 0.00 C ATOM 300 O THR A 19 105.387 108.457 -36.012 1.00 0.00 O ATOM 301 CB THR A 19 108.572 108.605 -36.062 1.00 0.00 C ATOM 302 OG1 THR A 19 109.053 109.882 -36.420 1.00 0.00 O ATOM 303 CG2 THR A 19 109.724 107.606 -35.939 1.00 0.00 C ATOM 0 H THR A 19 108.861 108.830 -38.525 1.00 0.00 H new ATOM 0 HA THR A 19 107.315 107.058 -36.891 1.00 0.00 H new ATOM 0 HB THR A 19 108.090 108.687 -35.088 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.980 109.980 -36.116 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.455 107.980 -35.222 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.338 106.646 -35.596 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.201 107.479 -36.911 1.00 0.00 H new ATOM 311 N ALA A 20 105.987 109.936 -37.613 1.00 0.00 N ATOM 312 CA ALA A 20 104.734 110.654 -37.471 1.00 0.00 C ATOM 313 C ALA A 20 103.519 109.776 -37.834 1.00 0.00 C ATOM 314 O ALA A 20 102.533 109.745 -37.108 1.00 0.00 O ATOM 315 CB ALA A 20 104.780 111.876 -38.389 1.00 0.00 C ATOM 0 H ALA A 20 106.644 110.312 -38.297 1.00 0.00 H new ATOM 0 HA ALA A 20 104.616 110.950 -36.429 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.847 112.433 -38.300 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.614 112.516 -38.101 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.911 111.551 -39.421 1.00 0.00 H new ATOM 321 N THR A 21 103.632 109.070 -38.978 1.00 0.00 N ATOM 322 CA THR A 21 102.549 108.156 -39.333 1.00 0.00 C ATOM 323 C THR A 21 102.434 106.959 -38.365 1.00 0.00 C ATOM 324 O THR A 21 101.348 106.574 -37.952 1.00 0.00 O ATOM 325 CB THR A 21 102.699 107.709 -40.795 1.00 0.00 C ATOM 326 OG1 THR A 21 101.498 107.182 -41.322 1.00 0.00 O ATOM 327 CG2 THR A 21 103.879 106.760 -41.028 1.00 0.00 C ATOM 0 H THR A 21 104.415 109.113 -39.631 1.00 0.00 H new ATOM 0 HA THR A 21 101.609 108.698 -39.233 1.00 0.00 H new ATOM 0 HB THR A 21 102.929 108.619 -41.349 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.640 106.913 -42.254 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.923 106.486 -42.082 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.807 107.256 -40.743 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.748 105.861 -40.425 1.00 0.00 H new ATOM 335 N ILE A 22 103.613 106.398 -38.044 1.00 0.00 N ATOM 336 CA ILE A 22 103.667 105.216 -37.192 1.00 0.00 C ATOM 337 C ILE A 22 103.093 105.499 -35.791 1.00 0.00 C ATOM 338 O ILE A 22 102.238 104.780 -35.288 1.00 0.00 O ATOM 339 CB ILE A 22 105.131 104.790 -37.074 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.694 104.365 -38.435 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.353 103.715 -36.002 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.601 102.859 -38.688 1.00 0.00 C ATOM 0 H ILE A 22 104.520 106.742 -38.359 1.00 0.00 H new ATOM 0 HA ILE A 22 103.062 104.425 -37.636 1.00 0.00 H new ATOM 0 HB ILE A 22 105.688 105.665 -36.741 1.00 0.00 H new ATOM 0 HG12 ILE A 22 105.156 104.892 -39.223 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.738 104.673 -38.500 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.410 103.452 -35.964 1.00 0.00 H new ATOM 0 HG22 ILE A 22 105.039 104.099 -35.031 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.768 102.829 -36.248 1.00 0.00 H new ATOM 0 HD11 ILE A 22 106.017 102.628 -39.669 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.163 102.326 -37.921 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.557 102.548 -38.655 1.00 0.00 H new ATOM 354 N LEU A 23 103.623 106.593 -35.205 1.00 0.00 N ATOM 355 CA LEU A 23 103.108 107.089 -33.936 1.00 0.00 C ATOM 356 C LEU A 23 101.580 107.268 -33.983 1.00 0.00 C ATOM 357 O LEU A 23 100.872 106.906 -33.055 1.00 0.00 O ATOM 358 CB LEU A 23 103.746 108.451 -33.635 1.00 0.00 C ATOM 359 CG LEU A 23 103.086 109.220 -32.483 1.00 0.00 C ATOM 360 CD1 LEU A 23 103.088 108.392 -31.197 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.770 110.572 -32.269 1.00 0.00 C ATOM 0 H LEU A 23 104.396 107.135 -35.592 1.00 0.00 H new ATOM 0 HA LEU A 23 103.353 106.361 -33.162 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.799 108.301 -33.399 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.706 109.064 -34.535 1.00 0.00 H new ATOM 0 HG LEU A 23 102.047 109.408 -32.755 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.614 108.961 -30.397 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.536 107.466 -31.360 1.00 0.00 H new ATOM 0 HD13 LEU A 23 104.115 108.158 -30.917 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.285 111.099 -31.447 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.821 110.414 -32.028 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.692 111.167 -33.179 1.00 0.00 H new ATOM 373 N ILE A 24 101.134 107.866 -35.104 1.00 0.00 N ATOM 374 CA ILE A 24 99.714 108.082 -35.290 1.00 0.00 C ATOM 375 C ILE A 24 98.941 106.756 -35.295 1.00 0.00 C ATOM 376 O ILE A 24 97.956 106.593 -34.590 1.00 0.00 O ATOM 377 CB ILE A 24 99.529 108.868 -36.585 1.00 0.00 C ATOM 378 CG1 ILE A 24 100.024 110.290 -36.350 1.00 0.00 C ATOM 379 CG2 ILE A 24 98.088 108.831 -37.108 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.925 111.190 -35.789 1.00 0.00 C ATOM 0 H ILE A 24 101.728 108.194 -35.866 1.00 0.00 H new ATOM 0 HA ILE A 24 99.305 108.655 -34.458 1.00 0.00 H new ATOM 0 HB ILE A 24 100.117 108.399 -37.373 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.866 110.272 -35.659 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.391 110.706 -37.288 1.00 0.00 H new ATOM 0 HG21 ILE A 24 98.021 109.408 -38.030 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.798 107.799 -37.304 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.419 109.260 -36.362 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.320 112.194 -35.636 1.00 0.00 H new ATOM 0 HD12 ILE A 24 98.093 111.230 -36.492 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.576 110.789 -34.837 1.00 0.00 H new ATOM 392 N THR A 25 99.441 105.827 -36.129 1.00 0.00 N ATOM 393 CA THR A 25 98.687 104.600 -36.332 1.00 0.00 C ATOM 394 C THR A 25 98.464 103.838 -35.008 1.00 0.00 C ATOM 395 O THR A 25 97.377 103.341 -34.744 1.00 0.00 O ATOM 396 CB THR A 25 99.419 103.702 -37.336 1.00 0.00 C ATOM 397 OG1 THR A 25 100.136 104.439 -38.304 1.00 0.00 O ATOM 398 CG2 THR A 25 98.457 102.725 -38.010 1.00 0.00 C ATOM 0 H THR A 25 100.318 105.902 -36.644 1.00 0.00 H new ATOM 0 HA THR A 25 97.707 104.871 -36.726 1.00 0.00 H new ATOM 0 HB THR A 25 100.149 103.132 -36.762 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.915 104.860 -37.884 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.006 102.102 -38.716 1.00 0.00 H new ATOM 0 HG22 THR A 25 97.992 102.092 -37.254 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.686 103.282 -38.541 1.00 0.00 H new ATOM 406 N ILE A 26 99.543 103.775 -34.200 1.00 0.00 N ATOM 407 CA ILE A 26 99.353 103.356 -32.818 1.00 0.00 C ATOM 408 C ILE A 26 98.388 104.292 -32.066 1.00 0.00 C ATOM 409 O ILE A 26 97.441 103.856 -31.424 1.00 0.00 O ATOM 410 CB ILE A 26 100.696 103.350 -32.083 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.764 102.510 -32.793 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.501 102.892 -30.636 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.132 103.191 -32.735 1.00 0.00 C ATOM 0 H ILE A 26 100.501 103.998 -34.471 1.00 0.00 H new ATOM 0 HA ILE A 26 98.924 102.354 -32.840 1.00 0.00 H new ATOM 0 HB ILE A 26 101.070 104.374 -32.086 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.825 101.526 -32.328 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.476 102.354 -33.833 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.462 102.891 -30.122 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.818 103.573 -30.128 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.084 101.885 -30.626 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.869 102.572 -33.247 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.075 104.164 -33.222 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.429 103.323 -31.695 1.00 0.00 H new ATOM 425 N ALA A 27 98.698 105.597 -32.193 1.00 0.00 N ATOM 426 CA ALA A 27 98.029 106.589 -31.354 1.00 0.00 C ATOM 427 C ALA A 27 96.493 106.479 -31.421 1.00 0.00 C ATOM 428 O ALA A 27 95.813 106.495 -30.402 1.00 0.00 O ATOM 429 CB ALA A 27 98.450 107.993 -31.795 1.00 0.00 C ATOM 0 H ALA A 27 99.385 105.972 -32.847 1.00 0.00 H new ATOM 0 HA ALA A 27 98.329 106.399 -30.323 1.00 0.00 H new ATOM 0 HB1 ALA A 27 97.952 108.735 -31.171 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.530 108.098 -31.692 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.168 108.147 -32.837 1.00 0.00 H new ATOM 435 N LYS A 28 95.991 106.366 -32.667 1.00 0.00 N ATOM 436 CA LYS A 28 94.573 106.122 -32.872 1.00 0.00 C ATOM 437 C LYS A 28 94.121 104.861 -32.120 1.00 0.00 C ATOM 438 O LYS A 28 93.263 104.901 -31.248 1.00 0.00 O ATOM 439 CB LYS A 28 94.304 105.986 -34.378 1.00 0.00 C ATOM 440 CG LYS A 28 93.866 107.310 -35.008 1.00 0.00 C ATOM 441 CD LYS A 28 92.603 107.147 -35.853 1.00 0.00 C ATOM 442 CE LYS A 28 91.850 108.468 -36.017 1.00 0.00 C ATOM 443 NZ LYS A 28 91.200 108.893 -34.783 1.00 0.00 N ATOM 0 H LYS A 28 96.543 106.440 -33.522 1.00 0.00 H new ATOM 0 HA LYS A 28 94.000 106.961 -32.476 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.206 105.629 -34.876 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.531 105.235 -34.541 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.685 108.044 -34.223 1.00 0.00 H new ATOM 0 HG3 LYS A 28 94.671 107.700 -35.630 1.00 0.00 H new ATOM 0 HD2 LYS A 28 92.871 106.758 -36.835 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.947 106.411 -35.387 1.00 0.00 H new ATOM 0 HE2 LYS A 28 92.545 109.241 -36.344 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.101 108.361 -36.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.494 109.626 -34.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 90.730 108.078 -34.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.912 109.279 -34.131 1.00 0.00 H new ATOM 457 N LYS A 29 94.761 103.749 -32.527 1.00 0.00 N ATOM 458 CA LYS A 29 94.254 102.444 -32.150 1.00 0.00 C ATOM 459 C LYS A 29 94.908 102.002 -30.835 1.00 0.00 C ATOM 460 O LYS A 29 96.120 101.847 -30.734 1.00 0.00 O ATOM 461 CB LYS A 29 94.582 101.432 -33.241 1.00 0.00 C ATOM 462 CG LYS A 29 93.816 100.134 -33.036 1.00 0.00 C ATOM 463 CD LYS A 29 94.204 99.091 -34.078 1.00 0.00 C ATOM 464 CE LYS A 29 93.126 98.912 -35.150 1.00 0.00 C ATOM 465 NZ LYS A 29 92.310 97.724 -34.932 1.00 0.00 N ATOM 0 H LYS A 29 95.605 103.739 -33.100 1.00 0.00 H new ATOM 0 HA LYS A 29 93.173 102.501 -32.021 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.336 101.852 -34.216 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.653 101.229 -33.242 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.016 99.745 -32.037 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.745 100.328 -33.094 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.140 99.386 -34.553 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.384 98.136 -33.584 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.483 99.792 -35.164 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.600 98.848 -36.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.369 97.867 -35.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.767 96.903 -35.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 92.211 97.554 -33.911 1.00 0.00 H new ATOM 479 N ASP A 30 94.020 101.814 -29.844 1.00 0.00 N ATOM 480 CA ASP A 30 94.449 101.422 -28.519 1.00 0.00 C ATOM 481 C ASP A 30 94.471 99.891 -28.415 1.00 0.00 C ATOM 482 O ASP A 30 93.440 99.231 -28.475 1.00 0.00 O ATOM 483 CB ASP A 30 93.470 101.990 -27.498 1.00 0.00 C ATOM 484 CG ASP A 30 93.760 103.475 -27.264 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.060 104.173 -28.231 1.00 0.00 O ATOM 486 OD2 ASP A 30 93.682 103.914 -26.118 1.00 0.00 O ATOM 0 H ASP A 30 93.012 101.930 -29.948 1.00 0.00 H new ATOM 0 HA ASP A 30 95.451 101.806 -28.326 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.447 101.862 -27.853 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.553 101.443 -26.559 1.00 0.00 H new ATOM 491 N PHE A 31 95.708 99.382 -28.260 1.00 0.00 N ATOM 492 CA PHE A 31 95.998 98.005 -28.643 1.00 0.00 C ATOM 493 C PHE A 31 95.689 97.803 -30.136 1.00 0.00 C ATOM 494 O PHE A 31 94.861 96.987 -30.523 1.00 0.00 O ATOM 495 CB PHE A 31 95.214 96.984 -27.802 1.00 0.00 C ATOM 496 CG PHE A 31 95.528 97.053 -26.327 1.00 0.00 C ATOM 497 CD1 PHE A 31 94.889 98.027 -25.516 1.00 0.00 C ATOM 498 CD2 PHE A 31 96.441 96.147 -25.726 1.00 0.00 C ATOM 499 CE1 PHE A 31 95.132 98.076 -24.122 1.00 0.00 C ATOM 500 CE2 PHE A 31 96.685 96.193 -24.331 1.00 0.00 C ATOM 501 CZ PHE A 31 96.024 97.153 -23.528 1.00 0.00 C ATOM 0 H PHE A 31 96.501 99.898 -27.880 1.00 0.00 H new ATOM 0 HA PHE A 31 97.058 97.832 -28.455 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.146 97.149 -27.946 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.433 95.980 -28.166 1.00 0.00 H new ATOM 0 HD1 PHE A 31 94.211 98.737 -25.966 1.00 0.00 H new ATOM 0 HD2 PHE A 31 96.953 95.418 -26.336 1.00 0.00 H new ATOM 0 HE1 PHE A 31 94.637 98.818 -23.513 1.00 0.00 H new ATOM 0 HE2 PHE A 31 97.375 95.495 -23.880 1.00 0.00 H new ATOM 0 HZ PHE A 31 96.201 97.181 -22.463 1.00 0.00 H new ATOM 511 N ILE A 32 96.417 98.608 -30.937 1.00 0.00 N ATOM 512 CA ILE A 32 97.107 98.119 -32.117 1.00 0.00 C ATOM 513 C ILE A 32 97.976 96.896 -31.772 1.00 0.00 C ATOM 514 O ILE A 32 97.772 96.224 -30.769 1.00 0.00 O ATOM 515 CB ILE A 32 97.905 99.287 -32.732 1.00 0.00 C ATOM 516 CG1 ILE A 32 98.050 99.100 -34.238 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.267 99.501 -32.068 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.329 100.423 -34.948 1.00 0.00 C ATOM 0 H ILE A 32 96.534 99.608 -30.773 1.00 0.00 H new ATOM 0 HA ILE A 32 96.396 97.768 -32.865 1.00 0.00 H new ATOM 0 HB ILE A 32 97.332 100.194 -32.542 1.00 0.00 H new ATOM 0 HG12 ILE A 32 98.861 98.400 -34.441 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.138 98.657 -34.639 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.778 100.337 -32.546 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.125 99.720 -31.010 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.869 98.599 -32.174 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.426 100.248 -36.019 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.506 101.114 -34.766 1.00 0.00 H new ATOM 0 HD13 ILE A 32 99.255 100.853 -34.566 1.00 0.00 H new ATOM 530 N THR A 33 98.941 96.644 -32.671 1.00 0.00 N ATOM 531 CA THR A 33 100.271 96.275 -32.206 1.00 0.00 C ATOM 532 C THR A 33 101.307 96.878 -33.162 1.00 0.00 C ATOM 533 O THR A 33 100.982 97.589 -34.106 1.00 0.00 O ATOM 534 CB THR A 33 100.407 94.740 -32.125 1.00 0.00 C ATOM 535 OG1 THR A 33 100.658 94.142 -33.376 1.00 0.00 O ATOM 536 CG2 THR A 33 99.195 94.069 -31.464 1.00 0.00 C ATOM 0 H THR A 33 98.826 96.688 -33.684 1.00 0.00 H new ATOM 0 HA THR A 33 100.439 96.667 -31.203 1.00 0.00 H new ATOM 0 HB THR A 33 101.278 94.574 -31.491 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.807 93.914 -33.806 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.347 92.990 -31.435 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.079 94.447 -30.448 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.297 94.293 -32.039 1.00 0.00 H new ATOM 544 N ALA A 34 102.577 96.547 -32.863 1.00 0.00 N ATOM 545 CA ALA A 34 103.588 96.667 -33.910 1.00 0.00 C ATOM 546 C ALA A 34 103.190 95.920 -35.200 1.00 0.00 C ATOM 547 O ALA A 34 103.314 96.441 -36.301 1.00 0.00 O ATOM 548 CB ALA A 34 104.924 96.137 -33.390 1.00 0.00 C ATOM 0 H ALA A 34 102.908 96.214 -31.957 1.00 0.00 H new ATOM 0 HA ALA A 34 103.676 97.723 -34.166 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.679 96.226 -34.171 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.231 96.717 -32.520 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.815 95.090 -33.108 1.00 0.00 H new ATOM 554 N ALA A 35 102.709 94.680 -34.988 1.00 0.00 N ATOM 555 CA ALA A 35 102.294 93.832 -36.097 1.00 0.00 C ATOM 556 C ALA A 35 101.280 94.541 -37.018 1.00 0.00 C ATOM 557 O ALA A 35 101.439 94.564 -38.232 1.00 0.00 O ATOM 558 CB ALA A 35 101.710 92.518 -35.555 1.00 0.00 C ATOM 0 H ALA A 35 102.603 94.256 -34.066 1.00 0.00 H new ATOM 0 HA ALA A 35 103.174 93.613 -36.702 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.401 91.886 -36.388 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.467 91.999 -34.967 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.848 92.736 -34.925 1.00 0.00 H new ATOM 564 N GLU A 36 100.232 95.108 -36.385 1.00 0.00 N ATOM 565 CA GLU A 36 99.270 95.843 -37.193 1.00 0.00 C ATOM 566 C GLU A 36 99.913 97.049 -37.905 1.00 0.00 C ATOM 567 O GLU A 36 99.631 97.309 -39.068 1.00 0.00 O ATOM 568 CB GLU A 36 98.076 96.297 -36.344 1.00 0.00 C ATOM 569 CG GLU A 36 96.758 95.953 -37.029 1.00 0.00 C ATOM 570 CD GLU A 36 95.593 96.155 -36.057 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.734 95.798 -34.889 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.557 96.666 -36.482 1.00 0.00 O ATOM 0 H GLU A 36 100.046 95.071 -35.383 1.00 0.00 H new ATOM 0 HA GLU A 36 98.913 95.160 -37.963 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.118 95.818 -35.366 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.133 97.372 -36.175 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.621 96.582 -37.909 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.778 94.920 -37.376 1.00 0.00 H new ATOM 579 N VAL A 37 100.781 97.768 -37.161 1.00 0.00 N ATOM 580 CA VAL A 37 101.414 98.923 -37.783 1.00 0.00 C ATOM 581 C VAL A 37 102.234 98.527 -39.034 1.00 0.00 C ATOM 582 O VAL A 37 102.209 99.223 -40.042 1.00 0.00 O ATOM 583 CB VAL A 37 102.310 99.631 -36.762 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.063 100.793 -37.415 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.514 100.125 -35.549 1.00 0.00 C ATOM 0 H VAL A 37 101.040 97.578 -36.193 1.00 0.00 H new ATOM 0 HA VAL A 37 100.627 99.602 -38.113 1.00 0.00 H new ATOM 0 HB VAL A 37 103.034 98.899 -36.405 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.693 101.282 -36.672 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.685 100.414 -38.226 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.347 101.512 -37.813 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.187 100.621 -34.850 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.749 100.829 -35.878 1.00 0.00 H new ATOM 0 HG23 VAL A 37 101.039 99.277 -35.056 1.00 0.00 H new ATOM 595 N ARG A 38 102.954 97.389 -38.922 1.00 0.00 N ATOM 596 CA ARG A 38 103.509 96.771 -40.117 1.00 0.00 C ATOM 597 C ARG A 38 102.443 96.532 -41.208 1.00 0.00 C ATOM 598 O ARG A 38 102.659 96.806 -42.381 1.00 0.00 O ATOM 599 CB ARG A 38 104.172 95.450 -39.741 1.00 0.00 C ATOM 600 CG ARG A 38 105.298 95.637 -38.725 1.00 0.00 C ATOM 601 CD ARG A 38 106.411 94.600 -38.909 1.00 0.00 C ATOM 602 NE ARG A 38 106.232 93.485 -37.994 1.00 0.00 N ATOM 603 CZ ARG A 38 106.737 93.574 -36.750 1.00 0.00 C ATOM 604 NH1 ARG A 38 106.496 94.651 -36.007 1.00 0.00 N ATOM 605 NH2 ARG A 38 107.479 92.584 -36.262 1.00 0.00 N ATOM 0 H ARG A 38 103.152 96.905 -38.046 1.00 0.00 H new ATOM 0 HA ARG A 38 104.244 97.459 -40.534 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.423 94.774 -39.330 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.570 94.977 -40.639 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.715 96.639 -38.826 1.00 0.00 H new ATOM 0 HG3 ARG A 38 104.893 95.560 -37.716 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.410 94.237 -39.937 1.00 0.00 H new ATOM 0 HD3 ARG A 38 107.381 95.066 -38.736 1.00 0.00 H new ATOM 0 HE ARG A 38 105.731 92.647 -38.290 1.00 0.00 H new ATOM 0 HH11 ARG A 38 105.927 95.411 -36.380 1.00 0.00 H new ATOM 0 HH12 ARG A 38 106.880 94.716 -35.064 1.00 0.00 H new ATOM 0 HH21 ARG A 38 107.665 91.758 -36.831 1.00 0.00 H new ATOM 0 HH22 ARG A 38 107.862 92.651 -35.319 1.00 0.00 H new ATOM 619 N GLU A 39 101.290 96.003 -40.751 1.00 0.00 N ATOM 620 CA GLU A 39 100.314 95.498 -41.705 1.00 0.00 C ATOM 621 C GLU A 39 99.623 96.635 -42.487 1.00 0.00 C ATOM 622 O GLU A 39 99.400 96.537 -43.687 1.00 0.00 O ATOM 623 CB GLU A 39 99.267 94.687 -40.948 1.00 0.00 C ATOM 624 CG GLU A 39 99.877 93.432 -40.330 1.00 0.00 C ATOM 625 CD GLU A 39 99.532 92.183 -41.147 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.390 91.730 -41.073 1.00 0.00 O ATOM 627 OE2 GLU A 39 100.408 91.680 -41.848 1.00 0.00 O ATOM 0 H GLU A 39 101.029 95.921 -39.768 1.00 0.00 H new ATOM 0 HA GLU A 39 100.836 94.876 -42.432 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.824 95.302 -40.165 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.461 94.406 -41.626 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.960 93.543 -40.271 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.513 93.313 -39.309 1.00 0.00 H new ATOM 719 N ASN A 46 108.795 98.422 -44.165 1.00 0.00 N ATOM 720 CA ASN A 46 108.868 97.461 -43.067 1.00 0.00 C ATOM 721 C ASN A 46 110.095 97.677 -42.155 1.00 0.00 C ATOM 722 O ASN A 46 109.982 97.667 -40.935 1.00 0.00 O ATOM 723 CB ASN A 46 108.876 96.035 -43.613 1.00 0.00 C ATOM 724 CG ASN A 46 110.069 95.806 -44.553 1.00 0.00 C ATOM 725 OD1 ASN A 46 110.039 96.163 -45.725 1.00 0.00 O ATOM 726 ND2 ASN A 46 111.113 95.192 -43.964 1.00 0.00 N ATOM 0 HA ASN A 46 107.981 97.622 -42.454 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.920 95.326 -42.786 1.00 0.00 H new ATOM 0 HB3 ASN A 46 107.946 95.843 -44.148 1.00 0.00 H new ATOM 0 HD21 ASN A 46 111.957 94.993 -44.501 1.00 0.00 H new ATOM 0 HD22 ASN A 46 111.060 94.926 -42.981 1.00 0.00 H new ATOM 733 N ALA A 47 111.259 97.871 -42.805 1.00 0.00 N ATOM 734 CA ALA A 47 112.447 98.140 -42.008 1.00 0.00 C ATOM 735 C ALA A 47 112.304 99.424 -41.167 1.00 0.00 C ATOM 736 O ALA A 47 112.616 99.439 -39.982 1.00 0.00 O ATOM 737 CB ALA A 47 113.663 98.255 -42.929 1.00 0.00 C ATOM 0 H ALA A 47 111.391 97.847 -43.816 1.00 0.00 H new ATOM 0 HA ALA A 47 112.578 97.309 -41.314 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.553 98.456 -42.333 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.796 97.321 -43.475 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.508 99.070 -43.636 1.00 0.00 H new ATOM 743 N VAL A 48 111.813 100.493 -41.830 1.00 0.00 N ATOM 744 CA VAL A 48 111.645 101.720 -41.056 1.00 0.00 C ATOM 745 C VAL A 48 110.600 101.549 -39.933 1.00 0.00 C ATOM 746 O VAL A 48 110.754 102.087 -38.848 1.00 0.00 O ATOM 747 CB VAL A 48 111.334 102.935 -41.950 1.00 0.00 C ATOM 748 CG1 VAL A 48 112.284 103.004 -43.144 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.882 103.016 -42.427 1.00 0.00 C ATOM 0 H VAL A 48 111.548 100.529 -42.814 1.00 0.00 H new ATOM 0 HA VAL A 48 112.602 101.923 -40.576 1.00 0.00 H new ATOM 0 HB VAL A 48 111.490 103.801 -41.307 1.00 0.00 H new ATOM 0 HG11 VAL A 48 112.038 103.872 -43.755 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.311 103.090 -42.788 1.00 0.00 H new ATOM 0 HG13 VAL A 48 112.182 102.099 -43.743 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.752 103.901 -43.050 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.639 102.125 -43.007 1.00 0.00 H new ATOM 0 HG23 VAL A 48 109.219 103.079 -41.564 1.00 0.00 H new ATOM 759 N VAL A 49 109.546 100.777 -40.258 1.00 0.00 N ATOM 760 CA VAL A 49 108.395 100.621 -39.382 1.00 0.00 C ATOM 761 C VAL A 49 108.788 100.021 -38.018 1.00 0.00 C ATOM 762 O VAL A 49 108.338 100.476 -36.973 1.00 0.00 O ATOM 763 CB VAL A 49 107.367 99.734 -40.090 1.00 0.00 C ATOM 764 CG1 VAL A 49 106.160 99.457 -39.196 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.924 100.348 -41.416 1.00 0.00 C ATOM 0 H VAL A 49 109.479 100.252 -41.130 1.00 0.00 H new ATOM 0 HA VAL A 49 107.968 101.603 -39.178 1.00 0.00 H new ATOM 0 HB VAL A 49 107.854 98.782 -40.303 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.450 98.825 -39.729 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.488 98.949 -38.289 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.680 100.399 -38.931 1.00 0.00 H new ATOM 0 HG21 VAL A 49 106.194 99.694 -41.894 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.473 101.323 -41.233 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.789 100.466 -42.069 1.00 0.00 H new ATOM 775 N ASN A 50 109.646 98.981 -38.088 1.00 0.00 N ATOM 776 CA ASN A 50 110.287 98.491 -36.874 1.00 0.00 C ATOM 777 C ASN A 50 111.013 99.617 -36.109 1.00 0.00 C ATOM 778 O ASN A 50 110.872 99.755 -34.899 1.00 0.00 O ATOM 779 CB ASN A 50 111.295 97.394 -37.237 1.00 0.00 C ATOM 780 CG ASN A 50 111.316 96.319 -36.148 1.00 0.00 C ATOM 781 OD1 ASN A 50 110.897 96.536 -35.018 1.00 0.00 O ATOM 782 ND2 ASN A 50 111.831 95.151 -36.572 1.00 0.00 N ATOM 0 H ASN A 50 109.897 98.487 -38.944 1.00 0.00 H new ATOM 0 HA ASN A 50 109.507 98.094 -36.224 1.00 0.00 H new ATOM 0 HB2 ASN A 50 111.029 96.947 -38.195 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.289 97.826 -37.352 1.00 0.00 H new ATOM 0 HD21 ASN A 50 111.895 94.359 -35.932 1.00 0.00 H new ATOM 0 HD22 ASN A 50 112.158 95.057 -37.534 1.00 0.00 H new ATOM 789 N SER A 51 111.787 100.405 -36.880 1.00 0.00 N ATOM 790 CA SER A 51 112.532 101.475 -36.233 1.00 0.00 C ATOM 791 C SER A 51 111.603 102.521 -35.575 1.00 0.00 C ATOM 792 O SER A 51 111.853 102.970 -34.465 1.00 0.00 O ATOM 793 CB SER A 51 113.454 102.156 -37.257 1.00 0.00 C ATOM 794 OG SER A 51 113.891 103.460 -36.898 1.00 0.00 O ATOM 0 H SER A 51 111.903 100.323 -37.890 1.00 0.00 H new ATOM 0 HA SER A 51 113.128 101.028 -35.437 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.330 101.525 -37.411 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.931 102.214 -38.212 1.00 0.00 H new ATOM 0 HG SER A 51 114.472 103.816 -37.603 1.00 0.00 H new ATOM 800 N ASN A 52 110.535 102.883 -36.315 1.00 0.00 N ATOM 801 CA ASN A 52 109.715 104.023 -35.945 1.00 0.00 C ATOM 802 C ASN A 52 108.920 103.782 -34.645 1.00 0.00 C ATOM 803 O ASN A 52 108.821 104.640 -33.778 1.00 0.00 O ATOM 804 CB ASN A 52 108.718 104.272 -37.073 1.00 0.00 C ATOM 805 CG ASN A 52 109.438 104.648 -38.376 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.961 104.001 -39.456 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.356 105.460 -38.395 1.00 0.00 N flip ATOM 0 H ASN A 52 110.234 102.400 -37.161 1.00 0.00 H new ATOM 0 HA ASN A 52 110.376 104.874 -35.779 1.00 0.00 H new ATOM 0 HB2 ASN A 52 108.114 103.378 -37.233 1.00 0.00 H new ATOM 0 HB3 ASN A 52 108.034 105.072 -36.788 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.659 105.908 -37.530 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.817 105.688 -39.276 1.00 0.00 H new ATOM 814 N ILE A 53 108.333 102.574 -34.574 1.00 0.00 N ATOM 815 CA ILE A 53 107.656 102.185 -33.352 1.00 0.00 C ATOM 816 C ILE A 53 108.621 102.195 -32.151 1.00 0.00 C ATOM 817 O ILE A 53 108.335 102.765 -31.106 1.00 0.00 O ATOM 818 CB ILE A 53 107.090 100.780 -33.542 1.00 0.00 C ATOM 819 CG1 ILE A 53 106.083 100.729 -34.694 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.435 100.273 -32.262 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.876 99.300 -35.190 1.00 0.00 C ATOM 0 H ILE A 53 108.319 101.883 -35.324 1.00 0.00 H new ATOM 0 HA ILE A 53 106.858 102.898 -33.145 1.00 0.00 H new ATOM 0 HB ILE A 53 107.929 100.130 -33.790 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.130 101.143 -34.365 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.435 101.353 -35.515 1.00 0.00 H new ATOM 0 HG21 ILE A 53 106.041 99.270 -32.427 1.00 0.00 H new ATOM 0 HG22 ILE A 53 107.174 100.245 -31.461 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.621 100.941 -31.981 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.155 99.300 -36.008 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.825 98.896 -35.542 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.500 98.683 -34.374 1.00 0.00 H new ATOM 833 N GLY A 54 109.773 101.536 -32.374 1.00 0.00 N ATOM 834 CA GLY A 54 110.781 101.490 -31.333 1.00 0.00 C ATOM 835 C GLY A 54 111.267 102.877 -30.900 1.00 0.00 C ATOM 836 O GLY A 54 111.409 103.165 -29.721 1.00 0.00 O ATOM 0 H GLY A 54 110.012 101.049 -33.238 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.375 100.968 -30.467 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.632 100.908 -31.686 1.00 0.00 H new ATOM 840 N VAL A 55 111.532 103.709 -31.916 1.00 0.00 N ATOM 841 CA VAL A 55 112.183 104.969 -31.607 1.00 0.00 C ATOM 842 C VAL A 55 111.254 105.913 -30.805 1.00 0.00 C ATOM 843 O VAL A 55 111.694 106.655 -29.935 1.00 0.00 O ATOM 844 CB VAL A 55 112.686 105.615 -32.898 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.550 106.253 -33.677 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.793 106.627 -32.613 1.00 0.00 C ATOM 0 H VAL A 55 111.318 103.541 -32.899 1.00 0.00 H new ATOM 0 HA VAL A 55 113.041 104.773 -30.964 1.00 0.00 H new ATOM 0 HB VAL A 55 113.108 104.824 -33.518 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.942 106.703 -34.589 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.814 105.492 -33.935 1.00 0.00 H new ATOM 0 HG13 VAL A 55 111.078 107.023 -33.067 1.00 0.00 H new ATOM 0 HG21 VAL A 55 114.131 107.070 -33.550 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.410 107.410 -31.958 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.629 106.124 -32.127 1.00 0.00 H new ATOM 856 N LEU A 56 109.951 105.848 -31.152 1.00 0.00 N ATOM 857 CA LEU A 56 108.931 106.385 -30.275 1.00 0.00 C ATOM 858 C LEU A 56 109.015 105.778 -28.859 1.00 0.00 C ATOM 859 O LEU A 56 109.018 106.480 -27.858 1.00 0.00 O ATOM 860 CB LEU A 56 107.615 105.996 -30.946 1.00 0.00 C ATOM 861 CG LEU A 56 107.433 106.781 -32.245 1.00 0.00 C ATOM 862 CD1 LEU A 56 106.601 106.041 -33.287 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.807 108.114 -31.911 1.00 0.00 C ATOM 0 H LEU A 56 109.602 105.435 -32.017 1.00 0.00 H new ATOM 0 HA LEU A 56 109.040 107.461 -30.141 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.607 104.926 -31.155 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.782 106.195 -30.272 1.00 0.00 H new ATOM 0 HG LEU A 56 108.415 106.917 -32.698 1.00 0.00 H new ATOM 0 HD11 LEU A 56 106.511 106.654 -34.184 1.00 0.00 H new ATOM 0 HD12 LEU A 56 107.088 105.099 -33.539 1.00 0.00 H new ATOM 0 HD13 LEU A 56 105.608 105.840 -32.884 1.00 0.00 H new ATOM 0 HD21 LEU A 56 106.669 108.690 -32.826 1.00 0.00 H new ATOM 0 HD22 LEU A 56 105.840 107.953 -31.434 1.00 0.00 H new ATOM 0 HD23 LEU A 56 107.460 108.663 -31.232 1.00 0.00 H new ATOM 875 N ILE A 57 109.125 104.440 -28.833 1.00 0.00 N ATOM 876 CA ILE A 57 109.149 103.779 -27.533 1.00 0.00 C ATOM 877 C ILE A 57 110.339 104.239 -26.664 1.00 0.00 C ATOM 878 O ILE A 57 110.201 104.470 -25.468 1.00 0.00 O ATOM 879 CB ILE A 57 109.196 102.262 -27.722 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.012 101.772 -28.571 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.316 101.541 -26.374 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.000 100.900 -27.828 1.00 0.00 C ATOM 0 H ILE A 57 109.195 103.831 -29.648 1.00 0.00 H new ATOM 0 HA ILE A 57 108.236 104.059 -27.008 1.00 0.00 H new ATOM 0 HB ILE A 57 110.096 102.009 -28.283 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.492 102.640 -28.977 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.401 101.208 -29.419 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.347 100.464 -26.539 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.230 101.858 -25.872 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.456 101.788 -25.752 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.203 100.605 -28.511 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.499 100.009 -27.446 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.575 101.463 -26.997 1.00 0.00 H new ATOM 894 N LYS A 58 111.501 104.356 -27.333 1.00 0.00 N ATOM 895 CA LYS A 58 112.734 104.631 -26.610 1.00 0.00 C ATOM 896 C LYS A 58 112.779 106.074 -26.050 1.00 0.00 C ATOM 897 O LYS A 58 113.439 106.348 -25.054 1.00 0.00 O ATOM 898 CB LYS A 58 113.924 104.319 -27.521 1.00 0.00 C ATOM 899 CG LYS A 58 114.329 105.464 -28.443 1.00 0.00 C ATOM 900 CD LYS A 58 115.654 105.140 -29.121 1.00 0.00 C ATOM 901 CE LYS A 58 116.006 106.143 -30.221 1.00 0.00 C ATOM 902 NZ LYS A 58 117.428 106.466 -30.251 1.00 0.00 N ATOM 0 H LYS A 58 111.602 104.266 -28.344 1.00 0.00 H new ATOM 0 HA LYS A 58 112.783 103.984 -25.734 1.00 0.00 H new ATOM 0 HB2 LYS A 58 114.779 104.048 -26.902 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.682 103.447 -28.129 1.00 0.00 H new ATOM 0 HG2 LYS A 58 113.557 105.628 -29.194 1.00 0.00 H new ATOM 0 HG3 LYS A 58 114.419 106.388 -27.872 1.00 0.00 H new ATOM 0 HD2 LYS A 58 116.448 105.130 -28.375 1.00 0.00 H new ATOM 0 HD3 LYS A 58 115.605 104.138 -29.548 1.00 0.00 H new ATOM 0 HE2 LYS A 58 115.709 105.736 -31.188 1.00 0.00 H new ATOM 0 HE3 LYS A 58 115.432 107.058 -30.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 117.613 107.149 -31.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 117.709 106.880 -29.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 117.977 105.600 -30.422 1.00 0.00 H new ATOM 916 N LYS A 59 112.044 106.967 -26.745 1.00 0.00 N ATOM 917 CA LYS A 59 111.829 108.306 -26.230 1.00 0.00 C ATOM 918 C LYS A 59 110.827 108.290 -25.057 1.00 0.00 C ATOM 919 O LYS A 59 111.063 108.882 -24.010 1.00 0.00 O ATOM 920 CB LYS A 59 111.256 109.148 -27.369 1.00 0.00 C ATOM 921 CG LYS A 59 112.241 109.324 -28.522 1.00 0.00 C ATOM 922 CD LYS A 59 111.535 109.818 -29.785 1.00 0.00 C ATOM 923 CE LYS A 59 112.487 110.565 -30.719 1.00 0.00 C ATOM 924 NZ LYS A 59 113.613 109.741 -31.139 1.00 0.00 N ATOM 0 H LYS A 59 111.603 106.777 -27.645 1.00 0.00 H new ATOM 0 HA LYS A 59 112.770 108.717 -25.865 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.346 108.677 -27.742 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.973 110.128 -26.985 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.017 110.034 -28.235 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.737 108.375 -28.727 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.101 108.969 -30.313 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.711 110.475 -29.506 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.939 110.902 -31.599 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.861 111.457 -30.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 114.496 110.281 -31.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 113.658 108.887 -30.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.490 109.466 -32.134 1.00 0.00 H new ATOM 938 N GLY A 60 109.707 107.580 -25.299 1.00 0.00 N ATOM 939 CA GLY A 60 108.413 108.208 -25.208 1.00 0.00 C ATOM 940 C GLY A 60 108.219 109.109 -26.425 1.00 0.00 C ATOM 941 O GLY A 60 108.725 110.223 -26.486 1.00 0.00 O ATOM 0 H GLY A 60 109.690 106.592 -25.553 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.628 107.452 -25.168 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.340 108.792 -24.290 1.00 0.00 H new ATOM 945 N LEU A 61 107.471 108.540 -27.386 1.00 0.00 N ATOM 946 CA LEU A 61 106.076 108.248 -27.163 1.00 0.00 C ATOM 947 C LEU A 61 105.641 107.245 -28.226 1.00 0.00 C ATOM 948 O LEU A 61 105.282 107.587 -29.345 1.00 0.00 O ATOM 949 CB LEU A 61 105.309 109.553 -27.381 1.00 0.00 C ATOM 950 CG LEU A 61 105.728 110.358 -28.631 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.614 111.298 -29.052 1.00 0.00 C ATOM 952 CD2 LEU A 61 107.003 111.169 -28.412 1.00 0.00 C ATOM 0 H LEU A 61 107.819 108.282 -28.309 1.00 0.00 H new ATOM 0 HA LEU A 61 105.895 107.849 -26.165 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.246 109.324 -27.455 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.438 110.184 -26.501 1.00 0.00 H new ATOM 0 HG LEU A 61 105.926 109.627 -29.415 1.00 0.00 H new ATOM 0 HD11 LEU A 61 104.924 111.858 -29.934 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.719 110.721 -29.285 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.397 111.992 -28.240 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.249 111.714 -29.324 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.849 111.876 -27.597 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.823 110.497 -28.159 1.00 0.00 H new ATOM 964 N VAL A 62 105.651 105.982 -27.785 1.00 0.00 N ATOM 965 CA VAL A 62 104.504 105.187 -27.427 1.00 0.00 C ATOM 966 C VAL A 62 104.926 104.240 -26.294 1.00 0.00 C ATOM 967 O VAL A 62 106.081 103.842 -26.201 1.00 0.00 O ATOM 968 CB VAL A 62 104.061 104.410 -28.660 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.161 103.472 -29.139 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.766 103.645 -28.411 1.00 0.00 C ATOM 0 H VAL A 62 106.524 105.468 -27.666 1.00 0.00 H new ATOM 0 HA VAL A 62 103.671 105.801 -27.085 1.00 0.00 H new ATOM 0 HB VAL A 62 103.865 105.137 -29.448 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.818 102.930 -30.020 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.049 104.052 -29.392 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.404 102.762 -28.348 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.484 103.104 -29.314 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.913 102.937 -27.595 1.00 0.00 H new ATOM 0 HG23 VAL A 62 101.975 104.346 -28.146 1.00 0.00 H new ATOM 980 N GLU A 63 103.938 103.900 -25.446 1.00 0.00 N ATOM 981 CA GLU A 63 104.174 102.856 -24.455 1.00 0.00 C ATOM 982 C GLU A 63 103.483 101.552 -24.887 1.00 0.00 C ATOM 983 O GLU A 63 102.290 101.505 -25.156 1.00 0.00 O ATOM 984 CB GLU A 63 103.630 103.293 -23.095 1.00 0.00 C ATOM 985 CG GLU A 63 104.613 104.194 -22.348 1.00 0.00 C ATOM 986 CD GLU A 63 104.137 104.403 -20.909 1.00 0.00 C ATOM 987 OE1 GLU A 63 102.935 104.574 -20.708 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.973 104.389 -20.007 1.00 0.00 O ATOM 0 H GLU A 63 103.008 104.318 -25.431 1.00 0.00 H new ATOM 0 HA GLU A 63 105.248 102.685 -24.377 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.687 103.822 -23.235 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.414 102.412 -22.491 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.606 103.744 -22.350 1.00 0.00 H new ATOM 0 HG3 GLU A 63 104.697 105.155 -22.856 1.00 0.00 H new ATOM 995 N LYS A 64 104.309 100.491 -24.919 1.00 0.00 N ATOM 996 CA LYS A 64 103.784 99.202 -25.310 1.00 0.00 C ATOM 997 C LYS A 64 103.077 98.555 -24.114 1.00 0.00 C ATOM 998 O LYS A 64 103.669 98.287 -23.075 1.00 0.00 O ATOM 999 CB LYS A 64 104.934 98.324 -25.801 1.00 0.00 C ATOM 1000 CG LYS A 64 104.499 96.877 -26.021 1.00 0.00 C ATOM 1001 CD LYS A 64 105.448 96.118 -26.948 1.00 0.00 C ATOM 1002 CE LYS A 64 106.338 95.141 -26.180 1.00 0.00 C ATOM 1003 NZ LYS A 64 105.703 93.842 -25.990 1.00 0.00 N ATOM 0 H LYS A 64 105.302 100.511 -24.686 1.00 0.00 H new ATOM 0 HA LYS A 64 103.060 99.318 -26.117 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.327 98.730 -26.733 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.746 98.351 -25.074 1.00 0.00 H new ATOM 0 HG2 LYS A 64 104.448 96.366 -25.060 1.00 0.00 H new ATOM 0 HG3 LYS A 64 103.494 96.863 -26.443 1.00 0.00 H new ATOM 0 HD2 LYS A 64 104.868 95.572 -27.692 1.00 0.00 H new ATOM 0 HD3 LYS A 64 106.072 96.829 -27.489 1.00 0.00 H new ATOM 0 HE2 LYS A 64 107.276 95.008 -26.718 1.00 0.00 H new ATOM 0 HE3 LYS A 64 106.586 95.567 -25.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 106.345 93.215 -25.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 104.821 93.962 -25.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 105.490 93.421 -26.917 1.00 0.00 H new ATOM 1017 N SER A 65 101.770 98.331 -24.345 1.00 0.00 N ATOM 1018 CA SER A 65 100.933 97.707 -23.327 1.00 0.00 C ATOM 1019 C SER A 65 100.438 96.355 -23.846 1.00 0.00 C ATOM 1020 O SER A 65 99.565 96.286 -24.700 1.00 0.00 O ATOM 1021 CB SER A 65 99.696 98.593 -23.090 1.00 0.00 C ATOM 1022 OG SER A 65 98.725 98.080 -22.184 1.00 0.00 O ATOM 0 H SER A 65 101.287 98.570 -25.211 1.00 0.00 H new ATOM 0 HA SER A 65 101.507 97.582 -22.409 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.033 99.561 -22.720 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.211 98.769 -24.050 1.00 0.00 H new ATOM 0 HG SER A 65 97.934 97.788 -22.683 1.00 0.00 H new ATOM 1028 N GLY A 66 101.033 95.291 -23.272 1.00 0.00 N ATOM 1029 CA GLY A 66 101.673 94.305 -24.128 1.00 0.00 C ATOM 1030 C GLY A 66 100.801 93.056 -24.258 1.00 0.00 C ATOM 1031 O GLY A 66 100.931 92.094 -23.510 1.00 0.00 O ATOM 0 H GLY A 66 101.078 95.107 -22.270 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.852 94.734 -25.114 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.645 94.035 -23.716 1.00 0.00 H new ATOM 1035 N ASP A 67 99.906 93.145 -25.259 1.00 0.00 N ATOM 1036 CA ASP A 67 100.355 93.046 -26.637 1.00 0.00 C ATOM 1037 C ASP A 67 99.432 93.866 -27.546 1.00 0.00 C ATOM 1038 O ASP A 67 98.770 93.336 -28.430 1.00 0.00 O ATOM 1039 CB ASP A 67 100.356 91.581 -27.072 1.00 0.00 C ATOM 1040 CG ASP A 67 101.501 90.836 -26.382 1.00 0.00 C ATOM 1041 OD1 ASP A 67 102.657 91.141 -26.670 1.00 0.00 O ATOM 1042 OD2 ASP A 67 101.222 89.960 -25.565 1.00 0.00 O ATOM 0 H ASP A 67 98.903 93.281 -25.135 1.00 0.00 H new ATOM 0 HA ASP A 67 101.368 93.442 -26.716 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.403 91.116 -26.819 1.00 0.00 H new ATOM 0 HB3 ASP A 67 100.466 91.514 -28.154 1.00 0.00 H new ATOM 1047 N GLY A 68 99.425 95.184 -27.263 1.00 0.00 N ATOM 1048 CA GLY A 68 99.525 96.165 -28.321 1.00 0.00 C ATOM 1049 C GLY A 68 100.216 97.431 -27.813 1.00 0.00 C ATOM 1050 O GLY A 68 100.509 97.581 -26.634 1.00 0.00 O ATOM 0 H GLY A 68 99.352 95.572 -26.323 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.085 95.749 -29.159 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.530 96.411 -28.693 1.00 0.00 H new ATOM 1054 N LEU A 69 100.450 98.324 -28.793 1.00 0.00 N ATOM 1055 CA LEU A 69 101.193 99.540 -28.526 1.00 0.00 C ATOM 1056 C LEU A 69 100.197 100.686 -28.366 1.00 0.00 C ATOM 1057 O LEU A 69 99.227 100.789 -29.107 1.00 0.00 O ATOM 1058 CB LEU A 69 102.153 99.808 -29.691 1.00 0.00 C ATOM 1059 CG LEU A 69 103.076 98.622 -29.990 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.350 99.109 -30.664 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.423 97.785 -28.760 1.00 0.00 C ATOM 0 H LEU A 69 100.135 98.217 -29.757 1.00 0.00 H new ATOM 0 HA LEU A 69 101.780 99.446 -27.612 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.575 100.046 -30.584 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.759 100.684 -29.461 1.00 0.00 H new ATOM 0 HG LEU A 69 102.521 97.965 -30.660 1.00 0.00 H new ATOM 0 HD11 LEU A 69 104.999 98.259 -30.872 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.098 99.611 -31.598 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.866 99.807 -30.005 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.079 96.965 -29.051 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.929 98.411 -28.025 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.509 97.381 -28.325 1.00 0.00 H new ATOM 1073 N ILE A 70 100.487 101.536 -27.360 1.00 0.00 N ATOM 1074 CA ILE A 70 99.567 102.629 -27.112 1.00 0.00 C ATOM 1075 C ILE A 70 100.316 103.787 -26.472 1.00 0.00 C ATOM 1076 O ILE A 70 101.281 103.615 -25.743 1.00 0.00 O ATOM 1077 CB ILE A 70 98.468 102.194 -26.147 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.041 101.625 -24.856 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.550 101.169 -26.789 1.00 0.00 C ATOM 1080 CD1 ILE A 70 97.962 101.552 -23.775 1.00 0.00 C ATOM 0 H ILE A 70 101.302 101.484 -26.748 1.00 0.00 H new ATOM 0 HA ILE A 70 99.128 102.928 -28.064 1.00 0.00 H new ATOM 0 HB ILE A 70 97.893 103.087 -25.904 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.448 100.630 -25.039 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.866 102.248 -24.512 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.777 100.877 -26.078 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.084 101.602 -27.675 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.129 100.291 -27.076 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.391 101.143 -22.860 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.575 102.552 -23.579 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.150 100.909 -24.114 1.00 0.00 H new ATOM 1092 N ILE A 71 99.799 104.984 -26.781 1.00 0.00 N ATOM 1093 CA ILE A 71 100.666 106.137 -26.688 1.00 0.00 C ATOM 1094 C ILE A 71 100.500 106.799 -25.321 1.00 0.00 C ATOM 1095 O ILE A 71 99.458 106.717 -24.682 1.00 0.00 O ATOM 1096 CB ILE A 71 100.319 107.104 -27.810 1.00 0.00 C ATOM 1097 CG1 ILE A 71 98.887 107.621 -27.631 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.561 106.441 -29.170 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.429 108.577 -28.731 1.00 0.00 C ATOM 0 H ILE A 71 98.840 105.163 -27.079 1.00 0.00 H new ATOM 0 HA ILE A 71 101.708 105.835 -26.791 1.00 0.00 H new ATOM 0 HB ILE A 71 100.972 107.976 -27.770 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.206 106.770 -27.597 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.812 108.128 -26.669 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.310 107.142 -29.966 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.610 106.157 -29.255 1.00 0.00 H new ATOM 0 HG23 ILE A 71 99.936 105.552 -29.258 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.406 108.898 -28.532 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.084 109.448 -28.753 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.469 108.069 -29.695 1.00 0.00 H new ATOM 1111 N THR A 72 101.603 107.458 -24.924 1.00 0.00 N ATOM 1112 CA THR A 72 101.570 108.181 -23.662 1.00 0.00 C ATOM 1113 C THR A 72 100.822 109.506 -23.861 1.00 0.00 C ATOM 1114 O THR A 72 100.413 109.866 -24.958 1.00 0.00 O ATOM 1115 CB THR A 72 102.988 108.427 -23.080 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.333 109.791 -22.961 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.134 107.697 -23.796 1.00 0.00 C ATOM 0 H THR A 72 102.484 107.500 -25.437 1.00 0.00 H new ATOM 0 HA THR A 72 101.044 107.565 -22.932 1.00 0.00 H new ATOM 0 HB THR A 72 102.887 107.991 -22.086 1.00 0.00 H new ATOM 0 HG1 THR A 72 103.999 109.899 -22.250 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.079 107.938 -23.310 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.966 106.621 -23.749 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.172 108.013 -24.839 1.00 0.00 H new ATOM 1125 N GLY A 73 100.677 110.199 -22.717 1.00 0.00 N ATOM 1126 CA GLY A 73 100.165 111.561 -22.787 1.00 0.00 C ATOM 1127 C GLY A 73 100.956 112.470 -23.755 1.00 0.00 C ATOM 1128 O GLY A 73 100.388 113.364 -24.370 1.00 0.00 O ATOM 0 H GLY A 73 100.897 109.854 -21.783 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.121 111.532 -23.100 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.187 112.000 -21.790 1.00 0.00 H new ATOM 1132 N GLU A 74 102.279 112.207 -23.864 1.00 0.00 N ATOM 1133 CA GLU A 74 103.085 113.056 -24.734 1.00 0.00 C ATOM 1134 C GLU A 74 102.538 113.068 -26.172 1.00 0.00 C ATOM 1135 O GLU A 74 102.297 114.120 -26.750 1.00 0.00 O ATOM 1136 CB GLU A 74 104.544 112.599 -24.752 1.00 0.00 C ATOM 1137 CG GLU A 74 105.150 112.500 -23.350 1.00 0.00 C ATOM 1138 CD GLU A 74 105.723 111.103 -23.087 1.00 0.00 C ATOM 1139 OE1 GLU A 74 106.317 110.531 -24.000 1.00 0.00 O ATOM 1140 OE2 GLU A 74 105.569 110.605 -21.974 1.00 0.00 O ATOM 0 H GLU A 74 102.777 111.456 -23.386 1.00 0.00 H new ATOM 0 HA GLU A 74 103.032 114.067 -24.329 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.610 111.627 -25.241 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.132 113.297 -25.349 1.00 0.00 H new ATOM 0 HG2 GLU A 74 105.938 113.245 -23.239 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.388 112.729 -22.605 1.00 0.00 H new ATOM 1147 N ALA A 75 102.336 111.842 -26.701 1.00 0.00 N ATOM 1148 CA ALA A 75 101.693 111.732 -28.004 1.00 0.00 C ATOM 1149 C ALA A 75 100.313 112.400 -28.005 1.00 0.00 C ATOM 1150 O ALA A 75 99.998 113.181 -28.888 1.00 0.00 O ATOM 1151 CB ALA A 75 101.532 110.256 -28.384 1.00 0.00 C ATOM 0 H ALA A 75 102.599 110.960 -26.262 1.00 0.00 H new ATOM 0 HA ALA A 75 102.327 112.240 -28.730 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.051 110.182 -29.359 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.513 109.782 -28.426 1.00 0.00 H new ATOM 0 HB3 ALA A 75 100.918 109.753 -27.637 1.00 0.00 H new ATOM 1157 N GLN A 76 99.524 112.080 -26.965 1.00 0.00 N ATOM 1158 CA GLN A 76 98.141 112.533 -26.971 1.00 0.00 C ATOM 1159 C GLN A 76 98.009 114.065 -27.170 1.00 0.00 C ATOM 1160 O GLN A 76 97.084 114.532 -27.820 1.00 0.00 O ATOM 1161 CB GLN A 76 97.502 112.119 -25.648 1.00 0.00 C ATOM 1162 CG GLN A 76 97.022 110.667 -25.674 1.00 0.00 C ATOM 1163 CD GLN A 76 96.100 110.403 -24.483 1.00 0.00 C ATOM 1164 OE1 GLN A 76 94.880 110.466 -24.581 1.00 0.00 O ATOM 1165 NE2 GLN A 76 96.770 110.105 -23.354 1.00 0.00 N ATOM 0 H GLN A 76 99.810 111.536 -26.151 1.00 0.00 H new ATOM 0 HA GLN A 76 97.632 112.071 -27.817 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.223 112.248 -24.841 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.660 112.776 -25.431 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.493 110.466 -26.606 1.00 0.00 H new ATOM 0 HG3 GLN A 76 97.877 109.991 -25.640 1.00 0.00 H new ATOM 0 HE21 GLN A 76 97.790 110.074 -23.359 1.00 0.00 H new ATOM 0 HE22 GLN A 76 96.258 109.911 -22.493 1.00 0.00 H new ATOM 1174 N ASP A 77 98.970 114.811 -26.589 1.00 0.00 N ATOM 1175 CA ASP A 77 99.003 116.242 -26.840 1.00 0.00 C ATOM 1176 C ASP A 77 99.355 116.547 -28.308 1.00 0.00 C ATOM 1177 O ASP A 77 98.733 117.384 -28.951 1.00 0.00 O ATOM 1178 CB ASP A 77 100.037 116.890 -25.919 1.00 0.00 C ATOM 1179 CG ASP A 77 99.707 118.370 -25.725 1.00 0.00 C ATOM 1180 OD1 ASP A 77 99.337 119.023 -26.700 1.00 0.00 O ATOM 1181 OD2 ASP A 77 99.824 118.855 -24.600 1.00 0.00 O ATOM 0 H ASP A 77 99.699 114.455 -25.971 1.00 0.00 H new ATOM 0 HA ASP A 77 98.012 116.650 -26.640 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.047 116.381 -24.955 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.034 116.784 -26.346 1.00 0.00 H new ATOM 1186 N ILE A 78 100.385 115.823 -28.796 1.00 0.00 N ATOM 1187 CA ILE A 78 100.869 116.078 -30.138 1.00 0.00 C ATOM 1188 C ILE A 78 99.785 115.788 -31.194 1.00 0.00 C ATOM 1189 O ILE A 78 99.565 116.577 -32.102 1.00 0.00 O ATOM 1190 CB ILE A 78 102.096 115.182 -30.364 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.283 115.549 -29.459 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.532 115.133 -31.833 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.262 116.982 -28.919 1.00 0.00 C ATOM 0 H ILE A 78 100.873 115.085 -28.289 1.00 0.00 H new ATOM 0 HA ILE A 78 101.134 117.130 -30.242 1.00 0.00 H new ATOM 0 HB ILE A 78 101.769 114.181 -30.082 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.306 114.859 -28.616 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.207 115.400 -30.018 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.403 114.485 -31.933 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.717 114.741 -32.442 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.787 116.138 -32.171 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.138 117.147 -28.292 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.274 117.685 -29.752 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.359 117.135 -28.328 1.00 0.00 H new ATOM 1205 N ILE A 79 99.144 114.616 -31.032 1.00 0.00 N ATOM 1206 CA ILE A 79 98.124 114.206 -31.979 1.00 0.00 C ATOM 1207 C ILE A 79 96.921 115.161 -31.984 1.00 0.00 C ATOM 1208 O ILE A 79 96.430 115.551 -33.035 1.00 0.00 O ATOM 1209 CB ILE A 79 97.612 112.816 -31.601 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.724 111.793 -31.348 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.616 112.310 -32.644 1.00 0.00 C ATOM 1212 CD1 ILE A 79 99.985 112.037 -32.175 1.00 0.00 C ATOM 0 H ILE A 79 99.317 113.960 -30.271 1.00 0.00 H new ATOM 0 HA ILE A 79 98.582 114.211 -32.968 1.00 0.00 H new ATOM 0 HB ILE A 79 97.100 112.928 -30.645 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.986 111.809 -30.290 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.344 110.795 -31.568 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.262 111.319 -32.359 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.770 112.995 -32.702 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.105 112.254 -33.617 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.727 111.273 -31.942 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.739 111.992 -33.236 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.391 113.021 -31.939 1.00 0.00 H new ATOM 1224 N SER A 80 96.464 115.502 -30.763 1.00 0.00 N ATOM 1225 CA SER A 80 95.334 116.418 -30.689 1.00 0.00 C ATOM 1226 C SER A 80 95.638 117.764 -31.375 1.00 0.00 C ATOM 1227 O SER A 80 94.835 118.276 -32.146 1.00 0.00 O ATOM 1228 CB SER A 80 94.979 116.650 -29.214 1.00 0.00 C ATOM 1229 OG SER A 80 94.882 115.479 -28.412 1.00 0.00 O ATOM 0 H SER A 80 96.838 115.176 -29.872 1.00 0.00 H new ATOM 0 HA SER A 80 94.492 115.969 -31.217 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.732 117.306 -28.777 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.028 117.180 -29.167 1.00 0.00 H new ATOM 0 HG SER A 80 95.704 115.372 -27.888 1.00 0.00 H new ATOM 1235 N ASN A 81 96.832 118.301 -31.058 1.00 0.00 N ATOM 1236 CA ASN A 81 97.187 119.572 -31.671 1.00 0.00 C ATOM 1237 C ASN A 81 97.422 119.429 -33.189 1.00 0.00 C ATOM 1238 O ASN A 81 96.952 120.237 -33.982 1.00 0.00 O ATOM 1239 CB ASN A 81 98.447 120.133 -31.009 1.00 0.00 C ATOM 1240 CG ASN A 81 98.419 121.662 -31.056 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.992 122.294 -31.935 1.00 0.00 O ATOM 1242 ND2 ASN A 81 97.712 122.207 -30.049 1.00 0.00 N ATOM 0 H ASN A 81 97.520 117.898 -30.422 1.00 0.00 H new ATOM 0 HA ASN A 81 96.352 120.256 -31.523 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.508 119.793 -29.975 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.335 119.760 -31.520 1.00 0.00 H new ATOM 0 HD21 ASN A 81 97.623 123.221 -29.978 1.00 0.00 H new ATOM 0 HD22 ASN A 81 97.265 121.606 -29.357 1.00 0.00 H new ATOM 1249 N ALA A 82 98.172 118.369 -33.545 1.00 0.00 N ATOM 1250 CA ALA A 82 98.559 118.217 -34.939 1.00 0.00 C ATOM 1251 C ALA A 82 97.351 117.948 -35.845 1.00 0.00 C ATOM 1252 O ALA A 82 97.196 118.558 -36.893 1.00 0.00 O ATOM 1253 CB ALA A 82 99.543 117.066 -35.087 1.00 0.00 C ATOM 0 H ALA A 82 98.504 117.642 -32.912 1.00 0.00 H new ATOM 0 HA ALA A 82 99.021 119.156 -35.246 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.826 116.961 -36.134 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.432 117.268 -34.490 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.077 116.143 -34.743 1.00 0.00 H new