USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 Set 1.1: A 12 SER OG : rot 154:sc= -3.43! USER MOD Set 1.2: A 15 GLN : amide:sc= -8.46! C(o=-12!,f=-24!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0 (180deg=-1.53) USER MOD Single : A 5 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0352! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.48! C(o=-1.5!,f=-9.8!) USER MOD Single : B 1 PHE N :NH3+ 145:sc= 0.0121 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.48! C(o=-1.5!,f=-6.3!) USER MOD Single : B 4 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.1) USER MOD Single : B 5 HIS : no HE2:sc= -16.6! C(o=-17!,f=-20!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -4.15! C(o=-5.2!,f=-4.2!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 77:sc= 0.255 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 67:sc= -0.419! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.938 5.554 5.166 1.00 0.00 N ATOM 2 CA GLY A 1 -6.663 4.370 4.238 1.00 0.00 C ATOM 3 C GLY A 1 -5.422 4.361 3.412 1.00 0.00 C ATOM 4 O GLY A 1 -4.781 5.376 3.226 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.021 5.215 6.146 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.155 6.235 5.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.825 6.018 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.654 3.469 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.510 4.284 3.557 1.00 0.00 H new ATOM 10 N ILE A 2 -5.050 3.222 2.895 1.00 0.00 N ATOM 11 CA ILE A 2 -3.819 3.149 2.059 1.00 0.00 C ATOM 12 C ILE A 2 -3.993 4.032 0.824 1.00 0.00 C ATOM 13 O ILE A 2 -3.037 4.424 0.186 1.00 0.00 O ATOM 14 CB ILE A 2 -3.581 1.700 1.629 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.155 1.553 1.093 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.578 1.318 0.536 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.918 0.104 0.659 1.00 0.00 C ATOM 0 H ILE A 2 -5.546 2.339 3.016 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.962 3.499 2.635 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.716 1.042 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.001 2.226 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.436 1.836 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.406 0.286 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.594 1.419 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.446 1.976 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.902 -0.000 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.054 -0.559 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.629 -0.162 -0.123 1.00 0.00 H new ATOM 29 N VAL A 3 -5.211 4.349 0.485 1.00 0.00 N ATOM 30 CA VAL A 3 -5.454 5.208 -0.706 1.00 0.00 C ATOM 31 C VAL A 3 -5.178 6.668 -0.341 1.00 0.00 C ATOM 32 O VAL A 3 -4.306 7.304 -0.901 1.00 0.00 O ATOM 33 CB VAL A 3 -6.909 5.062 -1.162 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.988 5.235 -2.679 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.431 3.672 -0.787 1.00 0.00 C ATOM 0 H VAL A 3 -6.050 4.050 0.982 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.792 4.900 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.516 5.823 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.023 5.131 -3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.620 6.224 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.377 4.474 -3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.466 3.572 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.822 2.911 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.377 3.542 0.294 1.00 0.00 H new ATOM 45 N GLU A 4 -5.910 7.203 0.598 1.00 0.00 N ATOM 46 CA GLU A 4 -5.682 8.621 0.999 1.00 0.00 C ATOM 47 C GLU A 4 -4.366 8.725 1.771 1.00 0.00 C ATOM 48 O GLU A 4 -3.796 9.789 1.912 1.00 0.00 O ATOM 49 CB GLU A 4 -6.832 9.109 1.881 1.00 0.00 C ATOM 50 CG GLU A 4 -7.252 7.988 2.823 1.00 0.00 C ATOM 51 CD GLU A 4 -7.970 8.579 4.038 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.066 9.088 3.864 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.414 8.511 5.121 1.00 0.00 O ATOM 0 H GLU A 4 -6.654 6.722 1.104 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.633 9.242 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.522 9.983 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.676 9.416 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.909 7.290 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.377 7.423 3.145 1.00 0.00 H new ATOM 60 N GLN A 5 -3.877 7.624 2.270 1.00 0.00 N ATOM 61 CA GLN A 5 -2.596 7.652 3.029 1.00 0.00 C ATOM 62 C GLN A 5 -1.428 7.669 2.047 1.00 0.00 C ATOM 63 O GLN A 5 -0.384 8.230 2.313 1.00 0.00 O ATOM 64 CB GLN A 5 -2.500 6.411 3.919 1.00 0.00 C ATOM 65 CG GLN A 5 -1.266 6.520 4.817 1.00 0.00 C ATOM 66 CD GLN A 5 -1.163 5.271 5.695 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.163 4.580 5.674 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.161 4.951 6.471 1.00 0.00 N ATOM 0 H GLN A 5 -4.310 6.704 2.185 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.561 8.545 3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.399 6.317 4.528 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.437 5.513 3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.368 6.625 4.208 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.334 7.411 5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.000 5.531 6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.103 4.121 7.061 1.00 0.00 H new ATOM 77 N CYS A 6 -1.602 7.062 0.910 1.00 0.00 N ATOM 78 CA CYS A 6 -0.510 7.040 -0.103 1.00 0.00 C ATOM 79 C CYS A 6 -0.858 8.009 -1.230 1.00 0.00 C ATOM 80 O CYS A 6 0.005 8.555 -1.887 1.00 0.00 O ATOM 81 CB CYS A 6 -0.363 5.626 -0.667 1.00 0.00 C ATOM 82 SG CYS A 6 -0.225 4.450 0.701 1.00 0.00 S ATOM 0 H CYS A 6 -2.457 6.577 0.635 1.00 0.00 H new ATOM 0 HA CYS A 6 0.430 7.339 0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.223 5.379 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.519 5.566 -1.304 1.00 0.00 H new ATOM 87 N CYS A 7 -2.120 8.227 -1.446 1.00 0.00 N ATOM 88 CA CYS A 7 -2.546 9.164 -2.518 1.00 0.00 C ATOM 89 C CYS A 7 -2.722 10.555 -1.911 1.00 0.00 C ATOM 90 O CYS A 7 -2.103 11.510 -2.337 1.00 0.00 O ATOM 91 CB CYS A 7 -3.863 8.670 -3.118 1.00 0.00 C ATOM 92 SG CYS A 7 -4.138 9.474 -4.715 1.00 0.00 S ATOM 0 H CYS A 7 -2.881 7.794 -0.923 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.796 9.211 -3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.834 7.588 -3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.688 8.890 -2.441 1.00 0.00 H new ATOM 97 N THR A 8 -3.538 10.673 -0.900 1.00 0.00 N ATOM 98 CA THR A 8 -3.721 11.998 -0.249 1.00 0.00 C ATOM 99 C THR A 8 -2.442 12.310 0.543 1.00 0.00 C ATOM 100 O THR A 8 -2.144 13.448 0.848 1.00 0.00 O ATOM 101 CB THR A 8 -4.959 11.939 0.673 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.049 12.578 0.025 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.690 12.642 2.011 1.00 0.00 C ATOM 0 H THR A 8 -4.084 9.911 -0.498 1.00 0.00 H new ATOM 0 HA THR A 8 -3.888 12.787 -0.982 1.00 0.00 H new ATOM 0 HB THR A 8 -5.190 10.893 0.874 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.839 12.543 0.603 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.580 12.584 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.857 12.154 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.442 13.688 1.829 1.00 0.00 H new ATOM 111 N SER A 9 -1.683 11.294 0.855 1.00 0.00 N ATOM 112 CA SER A 9 -0.411 11.491 1.605 1.00 0.00 C ATOM 113 C SER A 9 0.629 10.515 1.047 1.00 0.00 C ATOM 114 O SER A 9 0.657 10.244 -0.138 1.00 0.00 O ATOM 115 CB SER A 9 -0.640 11.207 3.091 1.00 0.00 C ATOM 116 OG SER A 9 0.609 11.231 3.770 1.00 0.00 O ATOM 0 H SER A 9 -1.894 10.324 0.619 1.00 0.00 H new ATOM 0 HA SER A 9 -0.062 12.518 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.313 11.952 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.118 10.236 3.218 1.00 0.00 H new ATOM 0 HG SER A 9 0.467 11.051 4.723 1.00 0.00 H new ATOM 122 N ILE A 10 1.475 9.968 1.878 1.00 0.00 N ATOM 123 CA ILE A 10 2.487 9.001 1.361 1.00 0.00 C ATOM 124 C ILE A 10 2.593 7.801 2.295 1.00 0.00 C ATOM 125 O ILE A 10 2.180 7.845 3.437 1.00 0.00 O ATOM 126 CB ILE A 10 3.867 9.648 1.285 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.837 10.866 0.371 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.860 8.636 0.739 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.816 12.121 1.233 1.00 0.00 C ATOM 0 H ILE A 10 1.510 10.146 2.882 1.00 0.00 H new ATOM 0 HA ILE A 10 2.164 8.690 0.368 1.00 0.00 H new ATOM 0 HB ILE A 10 4.164 9.967 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.710 10.870 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.958 10.834 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.849 9.091 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.897 7.770 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.548 8.320 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.794 13.002 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.930 12.112 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.709 12.148 1.858 1.00 0.00 H new ATOM 141 N CYS A 11 3.179 6.737 1.822 1.00 0.00 N ATOM 142 CA CYS A 11 3.352 5.539 2.689 1.00 0.00 C ATOM 143 C CYS A 11 4.628 4.802 2.287 1.00 0.00 C ATOM 144 O CYS A 11 5.164 5.000 1.215 1.00 0.00 O ATOM 145 CB CYS A 11 2.167 4.583 2.541 1.00 0.00 C ATOM 146 SG CYS A 11 0.659 5.513 2.174 1.00 0.00 S ATOM 0 H CYS A 11 3.545 6.645 0.874 1.00 0.00 H new ATOM 0 HA CYS A 11 3.413 5.872 3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.365 3.867 1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.036 4.010 3.459 1.00 0.00 H new ATOM 151 N SER A 12 5.107 3.945 3.138 1.00 0.00 N ATOM 152 CA SER A 12 6.340 3.176 2.814 1.00 0.00 C ATOM 153 C SER A 12 5.968 1.713 2.594 1.00 0.00 C ATOM 154 O SER A 12 5.066 1.193 3.221 1.00 0.00 O ATOM 155 CB SER A 12 7.335 3.276 3.971 1.00 0.00 C ATOM 156 OG SER A 12 7.124 2.193 4.866 1.00 0.00 O ATOM 0 H SER A 12 4.697 3.741 4.050 1.00 0.00 H new ATOM 0 HA SER A 12 6.797 3.585 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.356 3.255 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.209 4.224 4.493 1.00 0.00 H new ATOM 0 HG SER A 12 7.956 1.998 5.346 1.00 0.00 H new ATOM 162 N LEU A 13 6.650 1.041 1.709 1.00 0.00 N ATOM 163 CA LEU A 13 6.319 -0.388 1.459 1.00 0.00 C ATOM 164 C LEU A 13 6.157 -1.091 2.800 1.00 0.00 C ATOM 165 O LEU A 13 5.324 -1.959 2.965 1.00 0.00 O ATOM 166 CB LEU A 13 7.421 -1.045 0.607 1.00 0.00 C ATOM 167 CG LEU A 13 8.439 -1.795 1.477 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.345 -2.645 0.583 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.293 -0.789 2.246 1.00 0.00 C ATOM 0 H LEU A 13 7.417 1.417 1.152 1.00 0.00 H new ATOM 0 HA LEU A 13 5.385 -0.469 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.968 -1.738 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.934 -0.281 0.023 1.00 0.00 H new ATOM 0 HG LEU A 13 7.909 -2.438 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.068 -3.178 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.740 -3.364 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.873 -1.999 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.016 -1.322 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.822 -0.147 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.652 -0.179 2.882 1.00 0.00 H new ATOM 181 N TYR A 14 6.932 -0.701 3.766 1.00 0.00 N ATOM 182 CA TYR A 14 6.801 -1.326 5.107 1.00 0.00 C ATOM 183 C TYR A 14 5.336 -1.225 5.510 1.00 0.00 C ATOM 184 O TYR A 14 4.736 -2.167 5.987 1.00 0.00 O ATOM 185 CB TYR A 14 7.671 -0.576 6.117 1.00 0.00 C ATOM 186 CG TYR A 14 8.230 -1.555 7.118 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.003 -2.640 6.681 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.975 -1.383 8.485 1.00 0.00 C ATOM 189 CE1 TYR A 14 9.520 -3.552 7.610 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.493 -2.295 9.415 1.00 0.00 C ATOM 191 CZ TYR A 14 9.265 -3.379 8.978 1.00 0.00 C ATOM 192 OH TYR A 14 9.775 -4.277 9.894 1.00 0.00 O ATOM 0 H TYR A 14 7.648 0.021 3.687 1.00 0.00 H new ATOM 0 HA TYR A 14 7.126 -2.366 5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.482 -0.061 5.603 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.082 0.186 6.627 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.200 -2.773 5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.379 -0.548 8.822 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.115 -4.388 7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.297 -2.162 10.469 1.00 0.00 H new ATOM 0 HH TYR A 14 9.506 -4.011 10.798 1.00 0.00 H new ATOM 202 N GLN A 15 4.751 -0.082 5.283 1.00 0.00 N ATOM 203 CA GLN A 15 3.314 0.108 5.605 1.00 0.00 C ATOM 204 C GLN A 15 2.496 -0.675 4.589 1.00 0.00 C ATOM 205 O GLN A 15 1.394 -1.114 4.853 1.00 0.00 O ATOM 206 CB GLN A 15 2.971 1.594 5.496 1.00 0.00 C ATOM 207 CG GLN A 15 3.546 2.351 6.695 1.00 0.00 C ATOM 208 CD GLN A 15 5.006 2.712 6.419 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.293 3.480 5.523 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.946 2.190 7.159 1.00 0.00 N ATOM 0 H GLN A 15 5.214 0.735 4.884 1.00 0.00 H new ATOM 0 HA GLN A 15 3.097 -0.240 6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.375 2.002 4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.890 1.725 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.966 3.255 6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.476 1.738 7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.704 1.545 7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.923 2.427 6.985 1.00 0.00 H new ATOM 219 N LEU A 16 3.044 -0.855 3.425 1.00 0.00 N ATOM 220 CA LEU A 16 2.342 -1.610 2.366 1.00 0.00 C ATOM 221 C LEU A 16 2.421 -3.095 2.696 1.00 0.00 C ATOM 222 O LEU A 16 1.511 -3.854 2.427 1.00 0.00 O ATOM 223 CB LEU A 16 3.023 -1.321 1.026 1.00 0.00 C ATOM 224 CG LEU A 16 2.989 0.189 0.728 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.891 0.396 -0.779 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.774 0.850 1.393 1.00 0.00 C ATOM 0 H LEU A 16 3.965 -0.504 3.161 1.00 0.00 H new ATOM 0 HA LEU A 16 1.295 -1.313 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.055 -1.671 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.520 -1.868 0.229 1.00 0.00 H new ATOM 0 HG LEU A 16 3.899 0.641 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.866 1.463 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.756 -0.055 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.980 -0.072 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.772 1.917 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.859 0.397 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.827 0.707 2.472 1.00 0.00 H new ATOM 238 N GLU A 17 3.500 -3.512 3.298 1.00 0.00 N ATOM 239 CA GLU A 17 3.631 -4.941 3.670 1.00 0.00 C ATOM 240 C GLU A 17 2.553 -5.259 4.699 1.00 0.00 C ATOM 241 O GLU A 17 2.168 -6.396 4.888 1.00 0.00 O ATOM 242 CB GLU A 17 5.017 -5.193 4.268 1.00 0.00 C ATOM 243 CG GLU A 17 6.086 -4.863 3.224 1.00 0.00 C ATOM 244 CD GLU A 17 7.305 -5.763 3.441 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.111 -6.940 3.693 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.412 -5.258 3.349 1.00 0.00 O ATOM 0 H GLU A 17 4.294 -2.922 3.547 1.00 0.00 H new ATOM 0 HA GLU A 17 3.513 -5.577 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.159 -4.579 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.107 -6.233 4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.687 -5.009 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.375 -3.815 3.303 1.00 0.00 H new ATOM 253 N ASN A 18 2.051 -4.249 5.359 1.00 0.00 N ATOM 254 CA ASN A 18 0.981 -4.477 6.368 1.00 0.00 C ATOM 255 C ASN A 18 -0.333 -4.782 5.640 1.00 0.00 C ATOM 256 O ASN A 18 -1.322 -5.139 6.248 1.00 0.00 O ATOM 257 CB ASN A 18 0.810 -3.219 7.223 1.00 0.00 C ATOM 258 CG ASN A 18 0.689 -3.614 8.696 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.445 -3.148 9.526 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.236 -4.459 9.058 1.00 0.00 N ATOM 0 H ASN A 18 2.337 -3.277 5.242 1.00 0.00 H new ATOM 0 HA ASN A 18 1.251 -5.315 7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.662 -2.553 7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.078 -2.671 6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.325 -4.729 10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.870 -4.850 8.362 1.00 0.00 H new ATOM 267 N TYR A 19 -0.346 -4.641 4.341 1.00 0.00 N ATOM 268 CA TYR A 19 -1.589 -4.919 3.568 1.00 0.00 C ATOM 269 C TYR A 19 -1.485 -6.296 2.907 1.00 0.00 C ATOM 270 O TYR A 19 -2.319 -6.677 2.111 1.00 0.00 O ATOM 271 CB TYR A 19 -1.759 -3.850 2.486 1.00 0.00 C ATOM 272 CG TYR A 19 -1.993 -2.508 3.135 1.00 0.00 C ATOM 273 CD1 TYR A 19 -0.903 -1.741 3.568 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.297 -2.026 3.297 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.118 -0.492 4.164 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.512 -0.778 3.895 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.422 -0.010 4.328 1.00 0.00 C ATOM 278 OH TYR A 19 -2.635 1.220 4.915 1.00 0.00 O ATOM 0 H TYR A 19 0.454 -4.344 3.782 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.447 -4.903 4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.870 -3.811 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.598 -4.104 1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.103 -2.113 3.442 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.137 -2.616 2.961 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.278 0.099 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.518 -0.407 4.023 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.597 1.403 4.951 1.00 0.00 H new ATOM 288 N CYS A 20 -0.464 -7.044 3.228 1.00 0.00 N ATOM 289 CA CYS A 20 -0.307 -8.393 2.614 1.00 0.00 C ATOM 290 C CYS A 20 -1.429 -9.311 3.097 1.00 0.00 C ATOM 291 O CYS A 20 -2.011 -9.101 4.143 1.00 0.00 O ATOM 292 CB CYS A 20 1.045 -8.983 3.017 1.00 0.00 C ATOM 293 SG CYS A 20 2.368 -7.876 2.477 1.00 0.00 S ATOM 0 H CYS A 20 0.267 -6.779 3.888 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.356 -8.304 1.529 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.088 -9.118 4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.173 -9.968 2.567 1.00 0.00 H new ATOM 298 N ASN A 21 -1.736 -10.332 2.345 1.00 0.00 N ATOM 299 CA ASN A 21 -2.821 -11.264 2.760 1.00 0.00 C ATOM 300 C ASN A 21 -2.232 -12.376 3.630 1.00 0.00 C ATOM 301 O ASN A 21 -1.505 -13.198 3.095 1.00 0.00 O ATOM 302 CB ASN A 21 -3.471 -11.877 1.519 1.00 0.00 C ATOM 303 CG ASN A 21 -2.401 -12.565 0.670 1.00 0.00 C ATOM 304 OD1 ASN A 21 -1.221 -12.358 0.873 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.766 -13.381 -0.280 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.517 -12.388 4.817 1.00 0.00 O ATOM 0 H ASN A 21 -1.282 -10.561 1.461 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.572 -10.716 3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.235 -12.597 1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.970 -11.102 0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.061 -13.845 -0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.757 -13.555 -0.450 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.674 1.380 0.021 1.00 0.00 N ATOM 315 CA PHE B 1 12.280 1.851 -0.211 1.00 0.00 C ATOM 316 C PHE B 1 11.968 3.013 0.726 1.00 0.00 C ATOM 317 O PHE B 1 12.361 3.020 1.876 1.00 0.00 O ATOM 318 CB PHE B 1 11.301 0.715 0.075 1.00 0.00 C ATOM 319 CG PHE B 1 10.756 0.177 -1.226 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.096 1.036 -2.116 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.905 -1.179 -1.543 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.587 0.538 -3.323 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.396 -1.677 -2.750 1.00 0.00 C ATOM 324 CZ PHE B 1 9.737 -0.818 -3.640 1.00 0.00 C ATOM 0 H1 PHE B 1 13.718 0.349 -0.106 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.313 1.840 -0.658 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.965 1.622 0.990 1.00 0.00 H new ATOM 0 HA PHE B 1 12.183 2.174 -1.248 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.802 -0.080 0.628 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.485 1.074 0.702 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.980 2.082 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.412 -1.841 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.079 1.200 -4.009 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.512 -2.723 -2.994 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.345 -1.202 -4.570 1.00 0.00 H new ATOM 336 N VAL B 2 11.264 3.999 0.245 1.00 0.00 N ATOM 337 CA VAL B 2 10.930 5.153 1.102 1.00 0.00 C ATOM 338 C VAL B 2 9.450 5.502 0.950 1.00 0.00 C ATOM 339 O VAL B 2 8.645 4.698 0.526 1.00 0.00 O ATOM 340 CB VAL B 2 11.810 6.337 0.695 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.124 7.201 -0.370 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.090 7.170 1.932 1.00 0.00 C ATOM 0 H VAL B 2 10.907 4.049 -0.709 1.00 0.00 H new ATOM 0 HA VAL B 2 11.115 4.910 2.148 1.00 0.00 H new ATOM 0 HB VAL B 2 12.739 5.961 0.266 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.775 8.033 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.925 6.597 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.184 7.587 0.025 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.717 8.020 1.664 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.149 7.530 2.349 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.605 6.559 2.673 1.00 0.00 H new ATOM 352 N ASN B 3 9.099 6.703 1.291 1.00 0.00 N ATOM 353 CA ASN B 3 7.673 7.129 1.168 1.00 0.00 C ATOM 354 C ASN B 3 7.385 7.460 -0.300 1.00 0.00 C ATOM 355 O ASN B 3 8.181 8.087 -0.971 1.00 0.00 O ATOM 356 CB ASN B 3 7.399 8.364 2.048 1.00 0.00 C ATOM 357 CG ASN B 3 8.492 8.512 3.112 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.623 8.830 2.799 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.199 8.293 4.364 1.00 0.00 N ATOM 0 H ASN B 3 9.735 7.415 1.651 1.00 0.00 H new ATOM 0 HA ASN B 3 7.023 6.321 1.504 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.362 9.260 1.428 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.425 8.268 2.528 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.919 8.389 5.080 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.250 8.026 4.627 1.00 0.00 H new ATOM 366 N GLN B 4 6.256 7.041 -0.807 1.00 0.00 N ATOM 367 CA GLN B 4 5.921 7.328 -2.231 1.00 0.00 C ATOM 368 C GLN B 4 4.419 7.593 -2.362 1.00 0.00 C ATOM 369 O GLN B 4 3.605 6.899 -1.784 1.00 0.00 O ATOM 370 CB GLN B 4 6.300 6.125 -3.097 1.00 0.00 C ATOM 371 CG GLN B 4 6.895 6.615 -4.420 1.00 0.00 C ATOM 372 CD GLN B 4 8.410 6.402 -4.410 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.163 7.291 -4.756 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.893 5.252 -4.028 1.00 0.00 N ATOM 0 H GLN B 4 5.551 6.511 -0.295 1.00 0.00 H new ATOM 0 HA GLN B 4 6.475 8.206 -2.562 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.021 5.498 -2.572 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.421 5.509 -3.287 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.447 6.075 -5.254 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.667 7.671 -4.564 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.262 4.505 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.902 5.100 -4.020 1.00 0.00 H new ATOM 383 N HIS B 5 4.047 8.596 -3.110 1.00 0.00 N ATOM 384 CA HIS B 5 2.599 8.908 -3.275 1.00 0.00 C ATOM 385 C HIS B 5 1.970 7.902 -4.242 1.00 0.00 C ATOM 386 O HIS B 5 2.399 7.759 -5.368 1.00 0.00 O ATOM 387 CB HIS B 5 2.447 10.316 -3.846 1.00 0.00 C ATOM 388 CG HIS B 5 2.480 11.326 -2.734 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.336 11.686 -2.055 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.514 12.048 -2.207 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.701 12.605 -1.148 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.024 12.858 -1.204 1.00 0.00 N ATOM 0 H HIS B 5 4.684 9.213 -3.614 1.00 0.00 H new ATOM 0 HA HIS B 5 2.101 8.848 -2.307 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.249 10.518 -4.556 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.508 10.396 -4.394 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.395 11.324 -2.211 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.545 11.993 -2.524 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.020 13.082 -0.459 1.00 0.00 H new ATOM 400 N LEU B 6 0.959 7.203 -3.805 1.00 0.00 N ATOM 401 CA LEU B 6 0.300 6.198 -4.690 1.00 0.00 C ATOM 402 C LEU B 6 -1.219 6.393 -4.654 1.00 0.00 C ATOM 403 O LEU B 6 -1.723 7.194 -3.899 1.00 0.00 O ATOM 404 CB LEU B 6 0.643 4.802 -4.185 1.00 0.00 C ATOM 405 CG LEU B 6 1.748 4.185 -5.040 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.809 5.223 -5.391 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.402 3.053 -4.261 1.00 0.00 C ATOM 0 H LEU B 6 0.559 7.284 -2.870 1.00 0.00 H new ATOM 0 HA LEU B 6 0.651 6.323 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.965 4.853 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.244 4.169 -4.214 1.00 0.00 H new ATOM 0 HG LEU B 6 1.307 3.811 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.585 4.759 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.349 6.039 -5.949 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.252 5.614 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.193 2.606 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.827 3.445 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.655 2.296 -4.023 1.00 0.00 H new ATOM 419 N CYS B 7 -1.956 5.668 -5.460 1.00 0.00 N ATOM 420 CA CYS B 7 -3.443 5.843 -5.448 1.00 0.00 C ATOM 421 C CYS B 7 -4.162 4.559 -5.883 1.00 0.00 C ATOM 422 O CYS B 7 -4.777 3.881 -5.086 1.00 0.00 O ATOM 423 CB CYS B 7 -3.834 6.977 -6.400 1.00 0.00 C ATOM 424 SG CYS B 7 -2.917 8.481 -5.981 1.00 0.00 S ATOM 0 H CYS B 7 -1.600 4.973 -6.116 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.744 6.081 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.623 6.688 -7.430 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.906 7.165 -6.335 1.00 0.00 H new ATOM 429 N GLY B 8 -4.129 4.247 -7.145 1.00 0.00 N ATOM 430 CA GLY B 8 -4.849 3.031 -7.636 1.00 0.00 C ATOM 431 C GLY B 8 -3.868 1.956 -8.122 1.00 0.00 C ATOM 432 O GLY B 8 -3.269 1.249 -7.336 1.00 0.00 O ATOM 0 H GLY B 8 -3.636 4.778 -7.863 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.468 2.625 -6.836 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.520 3.307 -8.449 1.00 0.00 H new ATOM 436 N SER B 9 -3.711 1.814 -9.414 1.00 0.00 N ATOM 437 CA SER B 9 -2.785 0.773 -9.947 1.00 0.00 C ATOM 438 C SER B 9 -1.479 0.847 -9.181 1.00 0.00 C ATOM 439 O SER B 9 -1.041 -0.099 -8.561 1.00 0.00 O ATOM 440 CB SER B 9 -2.526 1.027 -11.433 1.00 0.00 C ATOM 441 OG SER B 9 -3.680 0.663 -12.179 1.00 0.00 O ATOM 0 H SER B 9 -4.185 2.375 -10.122 1.00 0.00 H new ATOM 0 HA SER B 9 -3.229 -0.215 -9.829 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.288 2.078 -11.598 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.665 0.449 -11.768 1.00 0.00 H new ATOM 0 HG SER B 9 -3.518 0.826 -13.132 1.00 0.00 H new ATOM 447 N HIS B 10 -0.861 1.980 -9.212 1.00 0.00 N ATOM 448 CA HIS B 10 0.426 2.152 -8.480 1.00 0.00 C ATOM 449 C HIS B 10 0.259 1.831 -6.978 1.00 0.00 C ATOM 450 O HIS B 10 1.226 1.803 -6.245 1.00 0.00 O ATOM 451 CB HIS B 10 0.958 3.584 -8.651 1.00 0.00 C ATOM 452 CG HIS B 10 -0.157 4.556 -8.940 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.466 4.589 -8.538 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.053 5.656 -9.747 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -2.069 5.701 -9.092 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -1.110 6.314 -9.813 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.187 2.806 -9.714 1.00 0.00 H new ATOM 0 HA HIS B 10 1.145 1.452 -8.905 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.483 3.889 -7.746 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.684 3.609 -9.464 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.978 5.932 -10.232 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -3.096 6.014 -8.972 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.253 7.173 -10.343 1.00 0.00 H new ATOM 464 N LEU B 11 -0.934 1.534 -6.516 1.00 0.00 N ATOM 465 CA LEU B 11 -1.109 1.173 -5.081 1.00 0.00 C ATOM 466 C LEU B 11 -1.128 -0.329 -5.025 1.00 0.00 C ATOM 467 O LEU B 11 -0.375 -0.965 -4.316 1.00 0.00 O ATOM 468 CB LEU B 11 -2.443 1.705 -4.540 1.00 0.00 C ATOM 469 CG LEU B 11 -2.217 2.958 -3.693 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.507 3.303 -2.952 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.119 2.693 -2.663 1.00 0.00 C ATOM 0 H LEU B 11 -1.789 1.527 -7.073 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.308 1.603 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.112 1.935 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.931 0.937 -3.940 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.922 3.782 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.351 4.196 -2.346 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.303 3.488 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.789 2.471 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.961 3.588 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.419 1.869 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.193 2.433 -3.177 1.00 0.00 H new ATOM 483 N VAL B 12 -1.965 -0.893 -5.825 1.00 0.00 N ATOM 484 CA VAL B 12 -2.034 -2.355 -5.901 1.00 0.00 C ATOM 485 C VAL B 12 -0.695 -2.814 -6.445 1.00 0.00 C ATOM 486 O VAL B 12 -0.216 -3.893 -6.156 1.00 0.00 O ATOM 487 CB VAL B 12 -3.166 -2.752 -6.851 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.339 -1.790 -6.672 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.679 -2.689 -8.306 1.00 0.00 C ATOM 0 H VAL B 12 -2.612 -0.395 -6.437 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.233 -2.810 -4.931 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.482 -3.770 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.147 -2.071 -7.348 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.694 -1.837 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.014 -0.774 -6.897 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.492 -2.973 -8.974 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.356 -1.674 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.843 -3.375 -8.440 1.00 0.00 H new ATOM 499 N GLU B 13 -0.081 -1.967 -7.219 1.00 0.00 N ATOM 500 CA GLU B 13 1.235 -2.306 -7.775 1.00 0.00 C ATOM 501 C GLU B 13 2.234 -2.213 -6.631 1.00 0.00 C ATOM 502 O GLU B 13 3.033 -3.100 -6.406 1.00 0.00 O ATOM 503 CB GLU B 13 1.608 -1.323 -8.885 1.00 0.00 C ATOM 504 CG GLU B 13 0.815 -1.657 -10.151 1.00 0.00 C ATOM 505 CD GLU B 13 1.636 -1.273 -11.384 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.451 -2.078 -11.802 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.433 -0.181 -11.890 1.00 0.00 O ATOM 0 H GLU B 13 -0.444 -1.052 -7.486 1.00 0.00 H new ATOM 0 HA GLU B 13 1.230 -3.306 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.394 -0.302 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.678 -1.376 -9.088 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.579 -2.721 -10.175 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.134 -1.120 -10.151 1.00 0.00 H new ATOM 514 N ALA B 14 2.161 -1.147 -5.880 1.00 0.00 N ATOM 515 CA ALA B 14 3.064 -0.988 -4.718 1.00 0.00 C ATOM 516 C ALA B 14 2.844 -2.168 -3.778 1.00 0.00 C ATOM 517 O ALA B 14 3.768 -2.856 -3.395 1.00 0.00 O ATOM 518 CB ALA B 14 2.701 0.300 -3.991 1.00 0.00 C ATOM 0 H ALA B 14 1.508 -0.378 -6.028 1.00 0.00 H new ATOM 0 HA ALA B 14 4.104 -0.951 -5.042 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.359 0.431 -3.132 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.817 1.146 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.667 0.247 -3.651 1.00 0.00 H new ATOM 524 N LEU B 15 1.613 -2.410 -3.413 1.00 0.00 N ATOM 525 CA LEU B 15 1.323 -3.551 -2.505 1.00 0.00 C ATOM 526 C LEU B 15 1.792 -4.834 -3.176 1.00 0.00 C ATOM 527 O LEU B 15 2.440 -5.668 -2.580 1.00 0.00 O ATOM 528 CB LEU B 15 -0.185 -3.646 -2.241 1.00 0.00 C ATOM 529 CG LEU B 15 -0.711 -2.448 -1.420 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.598 -2.976 -0.296 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.423 -1.643 -0.779 1.00 0.00 C ATOM 0 H LEU B 15 0.800 -1.867 -3.705 1.00 0.00 H new ATOM 0 HA LEU B 15 1.840 -3.403 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.716 -3.694 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.401 -4.572 -1.708 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.258 -1.796 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.976 -2.140 0.292 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.435 -3.528 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.016 -3.637 0.346 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.004 -0.811 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.993 -2.287 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.080 -1.256 -1.558 1.00 0.00 H new ATOM 543 N TYR B 16 1.469 -4.995 -4.422 1.00 0.00 N ATOM 544 CA TYR B 16 1.900 -6.222 -5.141 1.00 0.00 C ATOM 545 C TYR B 16 3.427 -6.291 -5.139 1.00 0.00 C ATOM 546 O TYR B 16 4.012 -7.334 -5.357 1.00 0.00 O ATOM 547 CB TYR B 16 1.392 -6.186 -6.584 1.00 0.00 C ATOM 548 CG TYR B 16 2.072 -7.275 -7.377 1.00 0.00 C ATOM 549 CD1 TYR B 16 2.206 -8.556 -6.827 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.576 -7.002 -8.656 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.843 -9.566 -7.556 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.214 -8.014 -9.384 1.00 0.00 C ATOM 553 CZ TYR B 16 3.348 -9.297 -8.835 1.00 0.00 C ATOM 554 OH TYR B 16 3.977 -10.294 -9.552 1.00 0.00 O ATOM 0 H TYR B 16 0.926 -4.332 -4.976 1.00 0.00 H new ATOM 0 HA TYR B 16 1.489 -7.099 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.311 -6.325 -6.605 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.597 -5.213 -7.030 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.818 -8.764 -5.841 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.473 -6.014 -9.079 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.946 -10.554 -7.132 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.603 -7.806 -10.370 1.00 0.00 H new ATOM 0 HH TYR B 16 4.267 -9.941 -10.419 1.00 0.00 H new ATOM 564 N LEU B 17 4.076 -5.189 -4.894 1.00 0.00 N ATOM 565 CA LEU B 17 5.564 -5.195 -4.876 1.00 0.00 C ATOM 566 C LEU B 17 6.046 -5.305 -3.430 1.00 0.00 C ATOM 567 O LEU B 17 7.108 -5.828 -3.156 1.00 0.00 O ATOM 568 CB LEU B 17 6.092 -3.902 -5.506 1.00 0.00 C ATOM 569 CG LEU B 17 7.305 -4.214 -6.387 1.00 0.00 C ATOM 570 CD1 LEU B 17 6.958 -5.333 -7.370 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.696 -2.961 -7.172 1.00 0.00 C ATOM 0 H LEU B 17 3.642 -4.286 -4.706 1.00 0.00 H new ATOM 0 HA LEU B 17 5.936 -6.045 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.310 -3.431 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.370 -3.193 -4.726 1.00 0.00 H new ATOM 0 HG LEU B 17 8.135 -4.531 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.825 -5.551 -7.994 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.675 -6.229 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.127 -5.018 -8.001 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.559 -3.180 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.861 -2.649 -7.799 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.947 -2.160 -6.477 1.00 0.00 H new ATOM 583 N VAL B 18 5.264 -4.834 -2.499 1.00 0.00 N ATOM 584 CA VAL B 18 5.671 -4.932 -1.072 1.00 0.00 C ATOM 585 C VAL B 18 5.360 -6.343 -0.576 1.00 0.00 C ATOM 586 O VAL B 18 6.111 -6.936 0.172 1.00 0.00 O ATOM 587 CB VAL B 18 4.903 -3.900 -0.241 1.00 0.00 C ATOM 588 CG1 VAL B 18 4.777 -2.600 -1.036 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.503 -4.426 0.095 1.00 0.00 C ATOM 0 H VAL B 18 4.363 -4.386 -2.665 1.00 0.00 H new ATOM 0 HA VAL B 18 6.738 -4.732 -0.971 1.00 0.00 H new ATOM 0 HB VAL B 18 5.446 -3.717 0.686 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.231 -1.864 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.771 -2.216 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.239 -2.792 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.967 -3.683 0.686 1.00 0.00 H new ATOM 0 HG22 VAL B 18 2.956 -4.619 -0.828 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.589 -5.350 0.666 1.00 0.00 H new ATOM 599 N CYS B 19 4.252 -6.880 -1.000 1.00 0.00 N ATOM 600 CA CYS B 19 3.874 -8.254 -0.572 1.00 0.00 C ATOM 601 C CYS B 19 4.417 -9.261 -1.586 1.00 0.00 C ATOM 602 O CYS B 19 4.496 -10.444 -1.322 1.00 0.00 O ATOM 603 CB CYS B 19 2.349 -8.361 -0.505 1.00 0.00 C ATOM 604 SG CYS B 19 1.720 -7.167 0.700 1.00 0.00 S ATOM 0 H CYS B 19 3.589 -6.425 -1.627 1.00 0.00 H new ATOM 0 HA CYS B 19 4.294 -8.465 0.411 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.916 -8.168 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.056 -9.372 -0.220 1.00 0.00 H new ATOM 609 N GLY B 20 4.797 -8.795 -2.744 1.00 0.00 N ATOM 610 CA GLY B 20 5.341 -9.718 -3.780 1.00 0.00 C ATOM 611 C GLY B 20 4.229 -10.635 -4.290 1.00 0.00 C ATOM 612 O GLY B 20 3.099 -10.223 -4.463 1.00 0.00 O ATOM 0 H GLY B 20 4.754 -7.813 -3.018 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.761 -9.145 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.152 -10.313 -3.361 1.00 0.00 H new ATOM 616 N GLU B 21 4.543 -11.878 -4.536 1.00 0.00 N ATOM 617 CA GLU B 21 3.507 -12.825 -5.038 1.00 0.00 C ATOM 618 C GLU B 21 2.426 -13.014 -3.972 1.00 0.00 C ATOM 619 O GLU B 21 1.283 -13.294 -4.276 1.00 0.00 O ATOM 620 CB GLU B 21 4.160 -14.174 -5.347 1.00 0.00 C ATOM 621 CG GLU B 21 4.668 -14.803 -4.048 1.00 0.00 C ATOM 622 CD GLU B 21 5.209 -16.205 -4.336 1.00 0.00 C ATOM 623 OE1 GLU B 21 4.650 -16.870 -5.194 1.00 0.00 O ATOM 624 OE2 GLU B 21 6.172 -16.590 -3.694 1.00 0.00 O ATOM 0 H GLU B 21 5.473 -12.279 -4.411 1.00 0.00 H new ATOM 0 HA GLU B 21 3.055 -12.422 -5.944 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.441 -14.837 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.986 -14.039 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.451 -14.182 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.861 -14.856 -3.318 1.00 0.00 H new ATOM 631 N ARG B 22 2.777 -12.866 -2.724 1.00 0.00 N ATOM 632 CA ARG B 22 1.766 -13.040 -1.643 1.00 0.00 C ATOM 633 C ARG B 22 0.503 -12.257 -1.995 1.00 0.00 C ATOM 634 O ARG B 22 -0.604 -12.723 -1.819 1.00 0.00 O ATOM 635 CB ARG B 22 2.338 -12.526 -0.319 1.00 0.00 C ATOM 636 CG ARG B 22 3.565 -13.356 0.064 1.00 0.00 C ATOM 637 CD ARG B 22 4.168 -12.812 1.360 1.00 0.00 C ATOM 638 NE ARG B 22 3.074 -12.488 2.319 1.00 0.00 N ATOM 639 CZ ARG B 22 2.665 -13.389 3.171 1.00 0.00 C ATOM 640 NH1 ARG B 22 1.755 -14.254 2.818 1.00 0.00 N ATOM 641 NH2 ARG B 22 3.168 -13.425 4.374 1.00 0.00 N ATOM 0 H ARG B 22 3.718 -12.633 -2.407 1.00 0.00 H new ATOM 0 HA ARG B 22 1.520 -14.097 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.612 -11.475 -0.413 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.583 -12.590 0.465 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.284 -14.401 0.192 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.305 -13.321 -0.736 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.843 -13.548 1.797 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.760 -11.921 1.152 1.00 0.00 H new ATOM 0 HE ARG B 22 2.645 -11.563 2.310 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.363 -14.227 1.877 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.435 -14.958 3.483 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.881 -12.749 4.649 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.848 -14.129 5.040 1.00 0.00 H new ATOM 655 N GLY B 23 0.669 -11.070 -2.498 1.00 0.00 N ATOM 656 CA GLY B 23 -0.512 -10.242 -2.874 1.00 0.00 C ATOM 657 C GLY B 23 -1.036 -9.501 -1.640 1.00 0.00 C ATOM 658 O GLY B 23 -0.429 -9.519 -0.588 1.00 0.00 O ATOM 0 H GLY B 23 1.575 -10.633 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.235 -9.527 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.295 -10.876 -3.290 1.00 0.00 H new ATOM 662 N PHE B 24 -2.157 -8.844 -1.765 1.00 0.00 N ATOM 663 CA PHE B 24 -2.718 -8.095 -0.603 1.00 0.00 C ATOM 664 C PHE B 24 -4.235 -7.974 -0.755 1.00 0.00 C ATOM 665 O PHE B 24 -4.840 -8.604 -1.599 1.00 0.00 O ATOM 666 CB PHE B 24 -2.106 -6.697 -0.567 1.00 0.00 C ATOM 667 CG PHE B 24 -2.096 -6.128 -1.963 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.158 -6.585 -2.896 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.029 -5.148 -2.329 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.152 -6.062 -4.196 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.023 -4.624 -3.629 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.084 -5.083 -4.563 1.00 0.00 C ATOM 0 H PHE B 24 -2.709 -8.793 -2.621 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.486 -8.627 0.320 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.680 -6.052 0.098 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.091 -6.741 -0.171 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.439 -7.340 -2.614 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.753 -4.796 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.428 -6.414 -4.916 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.741 -3.868 -3.911 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.079 -4.682 -5.566 1.00 0.00 H new ATOM 682 N PHE B 25 -4.852 -7.162 0.059 1.00 0.00 N ATOM 683 CA PHE B 25 -6.329 -6.990 -0.034 1.00 0.00 C ATOM 684 C PHE B 25 -6.645 -5.606 -0.600 1.00 0.00 C ATOM 685 O PHE B 25 -7.566 -5.432 -1.373 1.00 0.00 O ATOM 686 CB PHE B 25 -6.947 -7.129 1.360 1.00 0.00 C ATOM 687 CG PHE B 25 -8.451 -7.048 1.256 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.072 -5.812 1.034 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.225 -8.209 1.383 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.467 -5.737 0.941 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.621 -8.134 1.289 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.242 -6.897 1.068 1.00 0.00 C ATOM 0 H PHE B 25 -4.396 -6.610 0.785 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.745 -7.753 -0.692 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.654 -8.079 1.806 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.574 -6.341 2.015 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.475 -4.918 0.935 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.746 -9.162 1.553 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.946 -4.784 0.771 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.218 -9.029 1.387 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.318 -6.838 0.996 1.00 0.00 H new ATOM 702 N TYR B 26 -5.882 -4.624 -0.221 1.00 0.00 N ATOM 703 CA TYR B 26 -6.122 -3.243 -0.733 1.00 0.00 C ATOM 704 C TYR B 26 -7.551 -2.807 -0.394 1.00 0.00 C ATOM 705 O TYR B 26 -8.513 -3.356 -0.892 1.00 0.00 O ATOM 706 CB TYR B 26 -5.927 -3.224 -2.250 1.00 0.00 C ATOM 707 CG TYR B 26 -5.994 -1.802 -2.754 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.169 -0.818 -2.192 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.880 -1.467 -3.787 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.232 0.501 -2.663 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.943 -0.148 -4.257 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.119 0.836 -3.695 1.00 0.00 C ATOM 713 OH TYR B 26 -6.180 2.134 -4.158 1.00 0.00 O ATOM 0 H TYR B 26 -5.098 -4.715 0.425 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.417 -2.556 -0.265 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.965 -3.667 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.695 -3.828 -2.733 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.485 -1.076 -1.397 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.515 -2.226 -4.221 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.597 1.259 -2.230 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.627 0.110 -5.052 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.411 2.311 -4.739 1.00 0.00 H new ATOM 723 N THR B 27 -7.696 -1.820 0.449 1.00 0.00 N ATOM 724 CA THR B 27 -9.061 -1.346 0.819 1.00 0.00 C ATOM 725 C THR B 27 -9.440 -0.154 -0.063 1.00 0.00 C ATOM 726 O THR B 27 -8.707 0.229 -0.953 1.00 0.00 O ATOM 727 CB THR B 27 -9.072 -0.917 2.289 1.00 0.00 C ATOM 728 OG1 THR B 27 -7.897 -0.168 2.570 1.00 0.00 O ATOM 729 CG2 THR B 27 -9.117 -2.156 3.184 1.00 0.00 C ATOM 0 H THR B 27 -6.928 -1.321 0.898 1.00 0.00 H new ATOM 0 HA THR B 27 -9.779 -2.152 0.671 1.00 0.00 H new ATOM 0 HB THR B 27 -9.951 -0.302 2.482 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.903 0.109 3.510 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.125 -1.849 4.230 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.019 -2.729 2.967 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.240 -2.774 2.994 1.00 0.00 H new ATOM 737 N LYS B 28 -10.581 0.437 0.175 1.00 0.00 N ATOM 738 CA LYS B 28 -11.001 1.603 -0.653 1.00 0.00 C ATOM 739 C LYS B 28 -12.285 2.208 -0.071 1.00 0.00 C ATOM 740 O LYS B 28 -13.247 1.503 0.155 1.00 0.00 O ATOM 741 CB LYS B 28 -11.266 1.133 -2.086 1.00 0.00 C ATOM 742 CG LYS B 28 -10.899 2.247 -3.068 1.00 0.00 C ATOM 743 CD LYS B 28 -12.106 2.566 -3.953 1.00 0.00 C ATOM 744 CE LYS B 28 -11.863 3.880 -4.699 1.00 0.00 C ATOM 745 NZ LYS B 28 -11.113 3.607 -5.957 1.00 0.00 N ATOM 0 H LYS B 28 -11.238 0.163 0.905 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.212 2.355 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.681 0.239 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.316 0.863 -2.203 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.588 3.139 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.054 1.939 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.272 1.757 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.006 2.643 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.814 4.362 -4.927 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.300 4.569 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.948 4.500 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.200 3.165 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.667 2.965 -6.559 1.00 0.00 H new ATOM 759 N PRO B 29 -12.268 3.501 0.153 1.00 0.00 N ATOM 760 CA PRO B 29 -13.425 4.223 0.708 1.00 0.00 C ATOM 761 C PRO B 29 -14.468 4.477 -0.384 1.00 0.00 C ATOM 762 O PRO B 29 -14.523 5.541 -0.969 1.00 0.00 O ATOM 763 CB PRO B 29 -12.825 5.541 1.202 1.00 0.00 C ATOM 764 CG PRO B 29 -11.511 5.744 0.412 1.00 0.00 C ATOM 765 CD PRO B 29 -11.097 4.359 -0.119 1.00 0.00 C ATOM 0 HA PRO B 29 -13.936 3.671 1.497 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -13.513 6.369 1.032 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.632 5.502 2.274 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.657 6.446 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.734 6.161 1.053 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.867 4.393 -1.184 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.206 3.989 0.387 1.00 0.00 H new ATOM 773 N THR B 30 -15.295 3.507 -0.664 1.00 0.00 N ATOM 774 CA THR B 30 -16.331 3.694 -1.718 1.00 0.00 C ATOM 775 C THR B 30 -15.674 4.227 -2.993 1.00 0.00 C ATOM 776 O THR B 30 -15.164 3.422 -3.754 1.00 0.00 O ATOM 777 CB THR B 30 -17.383 4.692 -1.230 1.00 0.00 C ATOM 778 OG1 THR B 30 -16.932 5.305 -0.031 1.00 0.00 O ATOM 779 CG2 THR B 30 -18.701 3.961 -0.968 1.00 0.00 C ATOM 780 OXT THR B 30 -15.693 5.431 -3.186 1.00 0.00 O ATOM 0 H THR B 30 -15.298 2.594 -0.209 1.00 0.00 H new ATOM 0 HA THR B 30 -16.809 2.737 -1.929 1.00 0.00 H new ATOM 0 HB THR B 30 -17.540 5.456 -1.992 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.147 5.860 -0.222 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.449 4.673 -0.620 1.00 0.00 H new ATOM 0 HG22 THR B 30 -19.047 3.492 -1.889 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.548 3.196 -0.207 1.00 0.00 H new TER 788 THR B 30