USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 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: B 27 THR OG1 : rot 180:sc= -0.0104 USER MOD Set 1.2: B 29 LYS NZ :NH3+ -156:sc= 0.49 (180deg=-0.0117) USER MOD Set 2.1: B 4 GLN : amide:sc= 0.798 K(o=1.7,f=-1.3) USER MOD Set 2.2: B 10 HIS : no HE2:sc= 0.935 K(o=1.7,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ -165:sc= 0.296 (180deg=0.243) USER MOD Single : A 5 GLN : amide:sc= -0.026 K(o=-0.026,f=-1.7!) USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.109 USER MOD Single : A 9 SER OG : rot -44:sc= 1.26 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.24) USER MOD Single : A 18 ASN : amide:sc= 0.0336 X(o=0.034,f=0) USER MOD Single : A 19 TYR OH : rot 16:sc= -0.0716 USER MOD Single : A 21 ASN : amide:sc= -0.021 K(o=-0.021,f=-0.74) USER MOD Single : B 1 PHE N :NH3+ 132:sc= 0.11 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.1) USER MOD Single : B 5 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-6.7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.146 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0599 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.509 -1.132 -0.762 1.00 25.00 N ATOM 2 CA GLY A 1 2.376 0.327 -1.075 1.00 25.00 C ATOM 3 C GLY A 1 1.830 0.549 -2.464 1.00 25.00 C ATOM 4 O GLY A 1 1.893 -0.356 -3.276 1.00 25.00 O ATOM 0 H1 GLY A 1 2.639 -1.257 0.262 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.649 -1.632 -1.066 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.332 -1.521 -1.265 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.718 0.798 -0.345 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.349 0.809 -0.984 1.00 25.00 H new ATOM 10 N ILE A 2 1.291 1.727 -2.756 1.00 25.00 N ATOM 11 CA ILE A 2 0.610 1.956 -4.039 1.00 25.00 C ATOM 12 C ILE A 2 1.515 1.777 -5.273 1.00 25.00 C ATOM 13 O ILE A 2 1.106 1.174 -6.263 1.00 25.00 O ATOM 14 CB ILE A 2 -0.108 3.352 -4.037 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.139 3.403 -5.179 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.916 4.532 -4.104 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.045 4.638 -5.167 1.00 25.00 C ATOM 0 H ILE A 2 1.308 2.535 -2.134 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.142 1.173 -4.131 1.00 25.00 H new ATOM 0 HB ILE A 2 -0.639 3.474 -3.093 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.609 3.367 -6.131 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -1.763 2.511 -5.127 1.00 25.00 H new ATOM 0 HG21 ILE A 2 0.379 5.480 -4.101 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.579 4.488 -3.240 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.504 4.452 -5.018 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.738 4.589 -6.007 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -2.607 4.668 -4.233 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.435 5.537 -5.252 1.00 25.00 H new ATOM 29 N VAL A 3 2.760 2.228 -5.196 1.00 25.00 N ATOM 30 CA VAL A 3 3.693 2.080 -6.317 1.00 25.00 C ATOM 31 C VAL A 3 4.030 0.604 -6.527 1.00 25.00 C ATOM 32 O VAL A 3 4.150 0.141 -7.648 1.00 25.00 O ATOM 33 CB VAL A 3 4.972 2.964 -6.107 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.738 2.571 -4.823 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.891 2.896 -7.327 1.00 25.00 C ATOM 0 H VAL A 3 3.150 2.696 -4.378 1.00 25.00 H new ATOM 0 HA VAL A 3 3.215 2.441 -7.228 1.00 25.00 H new ATOM 0 HB VAL A 3 4.636 3.994 -5.986 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.617 3.207 -4.715 1.00 25.00 H new ATOM 0 HG12 VAL A 3 5.088 2.700 -3.958 1.00 25.00 H new ATOM 0 HG13 VAL A 3 6.050 1.529 -4.890 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.770 3.517 -7.156 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.202 1.864 -7.491 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.357 3.258 -8.206 1.00 25.00 H new ATOM 45 N GLU A 4 4.104 -0.151 -5.442 1.00 25.00 N ATOM 46 CA GLU A 4 4.384 -1.581 -5.508 1.00 25.00 C ATOM 47 C GLU A 4 3.234 -2.300 -6.202 1.00 25.00 C ATOM 48 O GLU A 4 3.451 -3.159 -7.049 1.00 25.00 O ATOM 49 CB GLU A 4 4.551 -2.106 -4.080 1.00 25.00 C ATOM 50 CG GLU A 4 4.928 -3.568 -3.926 1.00 25.00 C ATOM 51 CD GLU A 4 4.834 -4.017 -2.494 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.386 -3.311 -1.610 1.00 25.00 O ATOM 53 OE2 GLU A 4 5.253 -5.222 -2.292 1.00 25.00 O ATOM 0 H GLU A 4 3.973 0.205 -4.495 1.00 25.00 H new ATOM 0 HA GLU A 4 5.296 -1.761 -6.077 1.00 25.00 H new ATOM 0 HB2 GLU A 4 5.313 -1.505 -3.585 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.616 -1.939 -3.545 1.00 25.00 H new ATOM 0 HG2 GLU A 4 4.271 -4.181 -4.544 1.00 25.00 H new ATOM 0 HG3 GLU A 4 5.944 -3.723 -4.290 1.00 25.00 H new ATOM 61 N GLN A 5 2.011 -1.928 -5.853 1.00 25.00 N ATOM 62 CA GLN A 5 0.826 -2.544 -6.442 1.00 25.00 C ATOM 63 C GLN A 5 0.761 -2.254 -7.940 1.00 25.00 C ATOM 64 O GLN A 5 0.459 -3.140 -8.729 1.00 25.00 O ATOM 65 CB GLN A 5 -0.433 -2.022 -5.739 1.00 25.00 C ATOM 66 CG GLN A 5 -0.571 -2.527 -4.299 1.00 25.00 C ATOM 67 CD GLN A 5 -1.531 -1.694 -3.475 1.00 25.00 C ATOM 68 OE1 GLN A 5 -1.129 -0.741 -2.821 1.00 25.00 O ATOM 69 NE2 GLN A 5 -2.786 -2.056 -3.483 1.00 25.00 N ATOM 0 H GLN A 5 1.811 -1.202 -5.165 1.00 25.00 H new ATOM 0 HA GLN A 5 0.885 -3.624 -6.307 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.414 -0.932 -5.735 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.312 -2.324 -6.309 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.914 -3.561 -4.313 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.409 -2.523 -3.822 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.082 -2.856 -4.041 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -3.470 -1.538 -2.931 1.00 25.00 H new ATOM 78 N CYS A 6 1.082 -1.032 -8.336 1.00 25.00 N ATOM 79 CA CYS A 6 1.056 -0.663 -9.753 1.00 25.00 C ATOM 80 C CYS A 6 2.208 -1.282 -10.538 1.00 25.00 C ATOM 81 O CYS A 6 2.087 -1.543 -11.738 1.00 25.00 O ATOM 82 CB CYS A 6 1.082 0.856 -9.894 1.00 25.00 C ATOM 83 SG CYS A 6 -0.581 1.564 -9.661 1.00 25.00 S ATOM 0 H CYS A 6 1.362 -0.280 -7.706 1.00 25.00 H new ATOM 0 HA CYS A 6 0.132 -1.058 -10.175 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.768 1.281 -9.161 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.461 1.127 -10.879 1.00 25.00 H new ATOM 88 N CYS A 7 3.313 -1.534 -9.855 1.00 25.00 N ATOM 89 CA CYS A 7 4.473 -2.156 -10.475 1.00 25.00 C ATOM 90 C CYS A 7 4.199 -3.635 -10.758 1.00 25.00 C ATOM 91 O CYS A 7 4.518 -4.140 -11.828 1.00 25.00 O ATOM 92 CB CYS A 7 5.683 -2.021 -9.543 1.00 25.00 C ATOM 93 SG CYS A 7 7.291 -2.374 -10.324 1.00 25.00 S ATOM 0 H CYS A 7 3.432 -1.316 -8.866 1.00 25.00 H new ATOM 0 HA CYS A 7 4.681 -1.654 -11.420 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.704 -1.008 -9.142 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.550 -2.696 -8.697 1.00 25.00 H new ATOM 98 N THR A 8 3.621 -4.330 -9.785 1.00 25.00 N ATOM 99 CA THR A 8 3.407 -5.777 -9.902 1.00 25.00 C ATOM 100 C THR A 8 2.092 -6.176 -10.577 1.00 25.00 C ATOM 101 O THR A 8 1.956 -7.305 -11.044 1.00 25.00 O ATOM 102 CB THR A 8 3.488 -6.468 -8.506 1.00 25.00 C ATOM 103 OG1 THR A 8 3.662 -7.874 -8.678 1.00 25.00 O ATOM 104 CG2 THR A 8 2.232 -6.243 -7.672 1.00 25.00 C ATOM 0 H THR A 8 3.292 -3.923 -8.910 1.00 25.00 H new ATOM 0 HA THR A 8 4.212 -6.121 -10.552 1.00 25.00 H new ATOM 0 HB THR A 8 4.334 -6.025 -7.980 1.00 25.00 H new ATOM 0 HG1 THR A 8 3.292 -8.146 -9.544 1.00 25.00 H new ATOM 0 HG21 THR A 8 2.339 -6.744 -6.710 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.089 -5.175 -7.510 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.368 -6.649 -8.198 1.00 25.00 H new ATOM 112 N SER A 9 1.117 -5.278 -10.629 1.00 25.00 N ATOM 113 CA SER A 9 -0.180 -5.611 -11.216 1.00 25.00 C ATOM 114 C SER A 9 -0.677 -4.474 -12.093 1.00 25.00 C ATOM 115 O SER A 9 0.054 -3.527 -12.341 1.00 25.00 O ATOM 116 CB SER A 9 -1.202 -5.945 -10.125 1.00 25.00 C ATOM 117 OG SER A 9 -1.582 -4.782 -9.411 1.00 25.00 O ATOM 0 H SER A 9 1.194 -4.324 -10.277 1.00 25.00 H new ATOM 0 HA SER A 9 -0.055 -6.495 -11.842 1.00 25.00 H new ATOM 0 HB2 SER A 9 -2.083 -6.404 -10.575 1.00 25.00 H new ATOM 0 HB3 SER A 9 -0.778 -6.676 -9.437 1.00 25.00 H new ATOM 0 HG SER A 9 -0.785 -4.250 -9.205 1.00 25.00 H new ATOM 123 N ILE A 10 -1.833 -4.639 -12.710 1.00 25.00 N ATOM 124 CA ILE A 10 -2.273 -3.681 -13.722 1.00 25.00 C ATOM 125 C ILE A 10 -2.741 -2.404 -13.036 1.00 25.00 C ATOM 126 O ILE A 10 -3.706 -2.393 -12.277 1.00 25.00 O ATOM 127 CB ILE A 10 -3.389 -4.272 -14.626 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.876 -5.537 -15.363 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.902 -3.209 -15.627 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.776 -5.297 -16.407 1.00 25.00 C ATOM 0 H ILE A 10 -2.477 -5.410 -12.537 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.430 -3.451 -14.374 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.228 -4.566 -13.995 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.500 -6.241 -14.620 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.722 -6.016 -15.856 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.683 -3.644 -16.251 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.307 -2.358 -15.079 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.078 -2.875 -16.258 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.492 -6.246 -16.861 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.148 -4.623 -17.179 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.907 -4.851 -15.924 1.00 25.00 H new ATOM 142 N CYS A 11 -2.018 -1.331 -13.301 1.00 25.00 N ATOM 143 CA CYS A 11 -2.311 -0.034 -12.717 1.00 25.00 C ATOM 144 C CYS A 11 -3.307 0.688 -13.626 1.00 25.00 C ATOM 145 O CYS A 11 -2.942 1.559 -14.411 1.00 25.00 O ATOM 146 CB CYS A 11 -1.012 0.750 -12.580 1.00 25.00 C ATOM 147 SG CYS A 11 -1.093 2.229 -11.513 1.00 25.00 S ATOM 0 H CYS A 11 -1.212 -1.334 -13.926 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.752 -0.136 -11.726 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -0.245 0.082 -12.187 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -0.688 1.058 -13.574 1.00 25.00 H new ATOM 152 N SER A 12 -4.559 0.262 -13.556 1.00 25.00 N ATOM 153 CA SER A 12 -5.624 0.839 -14.371 1.00 25.00 C ATOM 154 C SER A 12 -5.856 2.298 -13.991 1.00 25.00 C ATOM 155 O SER A 12 -5.387 2.756 -12.953 1.00 25.00 O ATOM 156 CB SER A 12 -6.912 0.045 -14.162 1.00 25.00 C ATOM 157 OG SER A 12 -6.691 -1.329 -14.427 1.00 25.00 O ATOM 0 H SER A 12 -4.867 -0.488 -12.938 1.00 25.00 H new ATOM 0 HA SER A 12 -5.329 0.793 -15.419 1.00 25.00 H new ATOM 0 HB2 SER A 12 -7.264 0.173 -13.138 1.00 25.00 H new ATOM 0 HB3 SER A 12 -7.694 0.428 -14.818 1.00 25.00 H new ATOM 0 HG SER A 12 -7.523 -1.827 -14.288 1.00 25.00 H new ATOM 163 N LEU A 13 -6.624 3.013 -14.804 1.00 25.00 N ATOM 164 CA LEU A 13 -6.913 4.430 -14.556 1.00 25.00 C ATOM 165 C LEU A 13 -7.507 4.703 -13.168 1.00 25.00 C ATOM 166 O LEU A 13 -7.298 5.765 -12.605 1.00 25.00 O ATOM 167 CB LEU A 13 -7.838 4.976 -15.656 1.00 25.00 C ATOM 168 CG LEU A 13 -9.274 4.426 -15.702 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.250 5.393 -15.033 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.694 4.187 -17.148 1.00 25.00 C ATOM 0 H LEU A 13 -7.062 2.638 -15.645 1.00 25.00 H new ATOM 0 HA LEU A 13 -5.957 4.953 -14.580 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.894 6.059 -15.544 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.369 4.779 -16.620 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.296 3.482 -15.158 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.258 4.982 -15.078 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -9.963 5.537 -13.991 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.225 6.351 -15.551 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.712 3.798 -17.172 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.652 5.126 -17.699 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.019 3.466 -17.609 1.00 25.00 H new ATOM 182 N TYR A 14 -8.203 3.730 -12.598 1.00 25.00 N ATOM 183 CA TYR A 14 -8.777 3.877 -11.263 1.00 25.00 C ATOM 184 C TYR A 14 -7.677 3.951 -10.201 1.00 25.00 C ATOM 185 O TYR A 14 -7.753 4.735 -9.262 1.00 25.00 O ATOM 186 CB TYR A 14 -9.696 2.691 -10.977 1.00 25.00 C ATOM 187 CG TYR A 14 -10.647 2.407 -12.119 1.00 25.00 C ATOM 188 CD1 TYR A 14 -11.717 3.279 -12.404 1.00 25.00 C ATOM 189 CD2 TYR A 14 -10.479 1.264 -12.933 1.00 25.00 C ATOM 190 CE1 TYR A 14 -12.601 3.020 -13.487 1.00 25.00 C ATOM 191 CE2 TYR A 14 -11.360 1.006 -14.017 1.00 25.00 C ATOM 192 CZ TYR A 14 -12.409 1.891 -14.283 1.00 25.00 C ATOM 193 OH TYR A 14 -13.258 1.653 -15.333 1.00 25.00 O ATOM 0 H TYR A 14 -8.386 2.828 -13.038 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.348 4.805 -11.226 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -9.091 1.805 -10.783 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.269 2.890 -10.072 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -11.867 4.156 -11.791 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -9.670 0.578 -12.728 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.418 3.695 -13.693 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.220 0.130 -14.633 1.00 25.00 H new ATOM 0 HH TYR A 14 -12.990 0.828 -15.790 1.00 25.00 H new ATOM 203 N GLN A 15 -6.625 3.167 -10.388 1.00 25.00 N ATOM 204 CA GLN A 15 -5.495 3.170 -9.464 1.00 25.00 C ATOM 205 C GLN A 15 -4.733 4.476 -9.642 1.00 25.00 C ATOM 206 O GLN A 15 -4.288 5.087 -8.684 1.00 25.00 O ATOM 207 CB GLN A 15 -4.561 1.983 -9.742 1.00 25.00 C ATOM 208 CG GLN A 15 -5.268 0.624 -9.825 1.00 25.00 C ATOM 209 CD GLN A 15 -6.183 0.360 -8.650 1.00 25.00 C ATOM 210 OE1 GLN A 15 -7.387 0.503 -8.756 1.00 25.00 O ATOM 211 NE2 GLN A 15 -5.622 -0.031 -7.536 1.00 25.00 N ATOM 0 H GLN A 15 -6.528 2.520 -11.171 1.00 25.00 H new ATOM 0 HA GLN A 15 -5.862 3.079 -8.442 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -4.035 2.163 -10.680 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -3.807 1.939 -8.957 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -5.848 0.578 -10.747 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -4.519 -0.166 -9.880 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -4.609 -0.139 -7.486 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.197 -0.228 -6.717 1.00 25.00 H new ATOM 220 N LEU A 16 -4.624 4.910 -10.888 1.00 25.00 N ATOM 221 CA LEU A 16 -3.932 6.152 -11.225 1.00 25.00 C ATOM 222 C LEU A 16 -4.641 7.381 -10.648 1.00 25.00 C ATOM 223 O LEU A 16 -3.987 8.319 -10.221 1.00 25.00 O ATOM 224 CB LEU A 16 -3.777 6.264 -12.741 1.00 25.00 C ATOM 225 CG LEU A 16 -2.807 5.227 -13.339 1.00 25.00 C ATOM 226 CD1 LEU A 16 -2.921 5.184 -14.844 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.362 5.537 -12.972 1.00 25.00 C ATOM 0 H LEU A 16 -5.009 4.417 -11.693 1.00 25.00 H new ATOM 0 HA LEU A 16 -2.942 6.122 -10.769 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.755 6.146 -13.208 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.424 7.265 -12.989 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.085 4.260 -12.920 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.226 4.444 -15.241 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -3.939 4.912 -15.124 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.681 6.164 -15.255 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.706 4.785 -13.411 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.093 6.521 -13.355 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.252 5.527 -11.888 1.00 25.00 H new ATOM 239 N GLU A 17 -5.965 7.358 -10.582 1.00 25.00 N ATOM 240 CA GLU A 17 -6.723 8.463 -9.975 1.00 25.00 C ATOM 241 C GLU A 17 -6.334 8.687 -8.509 1.00 25.00 C ATOM 242 O GLU A 17 -6.434 9.793 -8.012 1.00 25.00 O ATOM 243 CB GLU A 17 -8.230 8.187 -10.042 1.00 25.00 C ATOM 244 CG GLU A 17 -8.882 8.541 -11.374 1.00 25.00 C ATOM 245 CD GLU A 17 -9.162 10.015 -11.509 1.00 25.00 C ATOM 246 OE1 GLU A 17 -8.378 10.810 -11.951 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.348 10.354 -11.115 1.00 25.00 O ATOM 0 H GLU A 17 -6.541 6.595 -10.937 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.479 9.359 -10.546 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.402 7.130 -9.838 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.724 8.749 -9.250 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.231 8.223 -12.189 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -9.815 7.987 -11.476 1.00 25.00 H new ATOM 255 N ASN A 18 -5.860 7.651 -7.830 1.00 25.00 N ATOM 256 CA ASN A 18 -5.439 7.787 -6.426 1.00 25.00 C ATOM 257 C ASN A 18 -4.130 8.583 -6.302 1.00 25.00 C ATOM 258 O ASN A 18 -3.872 9.199 -5.277 1.00 25.00 O ATOM 259 CB ASN A 18 -5.279 6.419 -5.755 1.00 25.00 C ATOM 260 CG ASN A 18 -6.600 5.805 -5.363 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.055 5.973 -4.250 1.00 25.00 O ATOM 262 ND2 ASN A 18 -7.210 5.082 -6.263 1.00 25.00 N ATOM 0 H ASN A 18 -5.755 6.713 -8.216 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.228 8.337 -5.914 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.757 5.745 -6.434 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.655 6.525 -4.868 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -8.100 4.636 -6.041 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.797 4.964 -7.188 1.00 25.00 H new ATOM 269 N TYR A 19 -3.303 8.553 -7.338 1.00 25.00 N ATOM 270 CA TYR A 19 -2.067 9.349 -7.361 1.00 25.00 C ATOM 271 C TYR A 19 -2.417 10.793 -7.714 1.00 25.00 C ATOM 272 O TYR A 19 -1.668 11.724 -7.431 1.00 25.00 O ATOM 273 CB TYR A 19 -1.132 8.873 -8.464 1.00 25.00 C ATOM 274 CG TYR A 19 -0.491 7.534 -8.241 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.171 6.349 -8.572 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.815 7.440 -7.731 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.556 5.094 -8.411 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.436 6.186 -7.566 1.00 25.00 C ATOM 279 CZ TYR A 19 0.747 5.023 -7.917 1.00 25.00 C ATOM 280 OH TYR A 19 1.347 3.806 -7.773 1.00 25.00 O ATOM 0 H TYR A 19 -3.458 7.990 -8.175 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.593 9.254 -6.384 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.692 8.836 -9.399 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.344 9.615 -8.593 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.179 6.403 -8.955 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.349 8.339 -7.462 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.089 4.191 -8.668 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.439 6.125 -7.170 1.00 25.00 H new ATOM 0 HH TYR A 19 0.848 3.133 -8.282 1.00 25.00 H new ATOM 290 N CYS A 20 -3.503 10.936 -8.459 1.00 25.00 N ATOM 291 CA CYS A 20 -3.886 12.206 -9.059 1.00 25.00 C ATOM 292 C CYS A 20 -4.473 13.178 -8.036 1.00 25.00 C ATOM 293 O CYS A 20 -5.663 13.153 -7.723 1.00 25.00 O ATOM 294 CB CYS A 20 -4.902 11.950 -10.174 1.00 25.00 C ATOM 295 SG CYS A 20 -5.028 13.321 -11.357 1.00 25.00 S ATOM 0 H CYS A 20 -4.146 10.172 -8.665 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.986 12.669 -9.463 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -4.623 11.042 -10.709 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.881 11.771 -9.730 1.00 25.00 H new ATOM 300 N ASN A 21 -3.621 14.058 -7.512 1.00 25.00 N ATOM 301 CA ASN A 21 -4.020 15.058 -6.519 1.00 25.00 C ATOM 302 C ASN A 21 -3.377 16.411 -6.802 1.00 25.00 C ATOM 303 O ASN A 21 -2.195 16.579 -7.016 1.00 25.00 O ATOM 304 CB ASN A 21 -3.697 14.552 -5.102 1.00 25.00 C ATOM 305 CG ASN A 21 -4.436 15.352 -4.071 1.00 25.00 C ATOM 306 OD1 ASN A 21 -4.267 16.528 -3.877 1.00 25.00 O ATOM 307 ND2 ASN A 21 -5.314 14.676 -3.344 1.00 25.00 N ATOM 308 OXT ASN A 21 -4.229 17.380 -6.884 1.00 25.00 O ATOM 0 H ASN A 21 -2.633 14.099 -7.763 1.00 25.00 H new ATOM 0 HA ASN A 21 -5.098 15.206 -6.587 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -3.968 13.500 -5.016 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -2.624 14.620 -4.922 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -5.849 15.152 -2.618 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -5.455 13.680 -3.511 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -7.726 3.340 -22.688 1.00 25.00 N ATOM 318 CA PHE B 1 -6.575 2.960 -21.819 1.00 25.00 C ATOM 319 C PHE B 1 -6.005 1.630 -22.275 1.00 25.00 C ATOM 320 O PHE B 1 -6.729 0.848 -22.865 1.00 25.00 O ATOM 321 CB PHE B 1 -7.045 2.861 -20.359 1.00 25.00 C ATOM 322 CG PHE B 1 -5.920 2.849 -19.359 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.314 4.054 -18.955 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.455 1.634 -18.812 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.249 4.053 -18.026 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.389 1.621 -17.879 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.782 2.834 -17.492 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.529 3.630 -22.094 1.00 25.00 H new ATOM 0 H2 PHE B 1 -7.449 4.130 -23.306 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.004 2.525 -23.271 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.797 3.720 -21.893 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -7.704 3.702 -20.141 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.636 1.953 -20.238 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.667 4.991 -19.360 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.917 0.704 -19.108 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.793 4.985 -17.725 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.042 0.685 -17.465 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.962 2.829 -16.789 1.00 25.00 H new ATOM 339 N VAL B 2 -4.724 1.377 -22.030 1.00 25.00 N ATOM 340 CA VAL B 2 -4.093 0.112 -22.421 1.00 25.00 C ATOM 341 C VAL B 2 -3.564 -0.526 -21.148 1.00 25.00 C ATOM 342 O VAL B 2 -2.859 0.126 -20.382 1.00 25.00 O ATOM 343 CB VAL B 2 -2.912 0.344 -23.417 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.254 -0.994 -23.809 1.00 25.00 C ATOM 345 CG2 VAL B 2 -3.412 1.064 -24.683 1.00 25.00 C ATOM 0 H VAL B 2 -4.097 2.031 -21.561 1.00 25.00 H new ATOM 0 HA VAL B 2 -4.820 -0.525 -22.925 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.169 0.967 -22.919 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -1.435 -0.807 -24.503 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -1.868 -1.485 -22.916 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -2.994 -1.637 -24.286 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -2.578 1.219 -25.367 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.173 0.456 -25.171 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -3.839 2.028 -24.408 1.00 25.00 H new ATOM 355 N ASN B 3 -3.926 -1.773 -20.894 1.00 25.00 N ATOM 356 CA ASN B 3 -3.478 -2.431 -19.673 1.00 25.00 C ATOM 357 C ASN B 3 -2.032 -2.832 -19.778 1.00 25.00 C ATOM 358 O ASN B 3 -1.643 -3.566 -20.678 1.00 25.00 O ATOM 359 CB ASN B 3 -4.271 -3.698 -19.378 1.00 25.00 C ATOM 360 CG ASN B 3 -5.684 -3.410 -18.941 1.00 25.00 C ATOM 361 OD1 ASN B 3 -5.962 -2.376 -18.351 1.00 25.00 O ATOM 362 ND2 ASN B 3 -6.582 -4.309 -19.236 1.00 25.00 N ATOM 0 H ASN B 3 -4.516 -2.342 -21.501 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.628 -1.706 -18.873 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -4.291 -4.325 -20.269 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -3.763 -4.267 -18.599 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -7.557 -4.162 -18.973 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.310 -5.159 -19.729 1.00 25.00 H new ATOM 369 N GLN B 4 -1.253 -2.393 -18.812 1.00 25.00 N ATOM 370 CA GLN B 4 0.124 -2.797 -18.676 1.00 25.00 C ATOM 371 C GLN B 4 0.464 -2.485 -17.235 1.00 25.00 C ATOM 372 O GLN B 4 -0.149 -1.612 -16.616 1.00 25.00 O ATOM 373 CB GLN B 4 1.030 -2.023 -19.653 1.00 25.00 C ATOM 374 CG GLN B 4 0.915 -0.504 -19.549 1.00 25.00 C ATOM 375 CD GLN B 4 1.716 0.217 -20.612 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.802 0.730 -20.357 1.00 25.00 O ATOM 377 NE2 GLN B 4 1.178 0.279 -21.803 1.00 25.00 N ATOM 0 H GLN B 4 -1.564 -1.739 -18.094 1.00 25.00 H new ATOM 0 HA GLN B 4 0.276 -3.850 -18.914 1.00 25.00 H new ATOM 0 HB2 GLN B 4 2.066 -2.310 -19.474 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.787 -2.325 -20.672 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.133 -0.217 -19.632 1.00 25.00 H new ATOM 0 HG3 GLN B 4 1.256 -0.185 -18.564 1.00 25.00 H new ATOM 0 HE21 GLN B 4 0.274 -0.159 -21.978 1.00 25.00 H new ATOM 0 HE22 GLN B 4 1.663 0.766 -22.557 1.00 25.00 H new ATOM 386 N HIS B 5 1.423 -3.207 -16.696 1.00 25.00 N ATOM 387 CA HIS B 5 1.966 -2.881 -15.378 1.00 25.00 C ATOM 388 C HIS B 5 2.727 -1.559 -15.533 1.00 25.00 C ATOM 389 O HIS B 5 3.306 -1.308 -16.590 1.00 25.00 O ATOM 390 CB HIS B 5 2.894 -3.994 -14.894 1.00 25.00 C ATOM 391 CG HIS B 5 2.228 -5.335 -14.825 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.016 -5.550 -14.197 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.580 -6.551 -15.301 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.691 -6.834 -14.300 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.623 -7.452 -14.958 1.00 25.00 N ATOM 0 H HIS B 5 1.847 -4.021 -17.141 1.00 25.00 H new ATOM 0 HA HIS B 5 1.173 -2.784 -14.636 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.753 -4.057 -15.562 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.276 -3.735 -13.907 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.476 -6.770 -15.862 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -0.203 -7.289 -13.901 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.635 -8.447 -15.180 1.00 25.00 H new ATOM 404 N LEU B 6 2.700 -0.703 -14.519 1.00 25.00 N ATOM 405 CA LEU B 6 3.326 0.621 -14.610 1.00 25.00 C ATOM 406 C LEU B 6 4.229 0.842 -13.404 1.00 25.00 C ATOM 407 O LEU B 6 3.764 0.830 -12.275 1.00 25.00 O ATOM 408 CB LEU B 6 2.253 1.720 -14.647 1.00 25.00 C ATOM 409 CG LEU B 6 1.271 1.746 -15.832 1.00 25.00 C ATOM 410 CD1 LEU B 6 0.231 2.824 -15.596 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.969 2.038 -17.151 1.00 25.00 C ATOM 0 H LEU B 6 2.253 -0.897 -13.623 1.00 25.00 H new ATOM 0 HA LEU B 6 3.914 0.667 -15.527 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.666 1.642 -13.732 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.763 2.683 -14.618 1.00 25.00 H new ATOM 0 HG LEU B 6 0.813 0.759 -15.897 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.467 2.846 -16.433 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.313 2.610 -14.676 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.724 3.792 -15.509 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.235 2.046 -17.957 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.458 3.010 -17.096 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.714 1.267 -17.347 1.00 25.00 H new ATOM 423 N CYS B 7 5.524 1.007 -13.648 1.00 25.00 N ATOM 424 CA CYS B 7 6.491 1.103 -12.548 1.00 25.00 C ATOM 425 C CYS B 7 7.476 2.266 -12.706 1.00 25.00 C ATOM 426 O CYS B 7 7.576 3.124 -11.841 1.00 25.00 O ATOM 427 CB CYS B 7 7.249 -0.228 -12.448 1.00 25.00 C ATOM 428 SG CYS B 7 7.994 -0.534 -10.820 1.00 25.00 S ATOM 0 H CYS B 7 5.930 1.077 -14.581 1.00 25.00 H new ATOM 0 HA CYS B 7 5.935 1.305 -11.632 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.564 -1.043 -12.681 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.034 -0.245 -13.204 1.00 25.00 H new ATOM 433 N GLY B 8 8.179 2.298 -13.833 1.00 25.00 N ATOM 434 CA GLY B 8 9.116 3.382 -14.112 1.00 25.00 C ATOM 435 C GLY B 8 8.410 4.598 -14.677 1.00 25.00 C ATOM 436 O GLY B 8 7.253 4.847 -14.360 1.00 25.00 O ATOM 0 H GLY B 8 8.119 1.590 -14.565 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.638 3.657 -13.196 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.871 3.038 -14.819 1.00 25.00 H new ATOM 440 N SER B 9 9.068 5.319 -15.579 1.00 25.00 N ATOM 441 CA SER B 9 8.499 6.514 -16.220 1.00 25.00 C ATOM 442 C SER B 9 7.139 6.284 -16.887 1.00 25.00 C ATOM 443 O SER B 9 6.348 7.207 -17.021 1.00 25.00 O ATOM 444 CB SER B 9 9.492 7.021 -17.259 1.00 25.00 C ATOM 445 OG SER B 9 10.740 6.366 -17.071 1.00 25.00 O ATOM 0 H SER B 9 10.013 5.096 -15.891 1.00 25.00 H new ATOM 0 HA SER B 9 8.324 7.245 -15.430 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.115 6.830 -18.264 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.616 8.100 -17.165 1.00 25.00 H new ATOM 0 HG SER B 9 11.382 6.687 -17.738 1.00 25.00 H new ATOM 451 N HIS B 10 6.830 5.031 -17.200 1.00 25.00 N ATOM 452 CA HIS B 10 5.511 4.659 -17.719 1.00 25.00 C ATOM 453 C HIS B 10 4.384 5.095 -16.780 1.00 25.00 C ATOM 454 O HIS B 10 3.310 5.461 -17.235 1.00 25.00 O ATOM 455 CB HIS B 10 5.422 3.140 -17.880 1.00 25.00 C ATOM 456 CG HIS B 10 6.058 2.621 -19.127 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.343 1.952 -20.123 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.341 2.630 -19.570 1.00 25.00 C ATOM 459 CE1 HIS B 10 6.177 1.608 -21.089 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.383 2.008 -20.780 1.00 25.00 N ATOM 0 H HIS B 10 7.477 4.248 -17.104 1.00 25.00 H new ATOM 0 HA HIS B 10 5.394 5.164 -18.678 1.00 25.00 H new ATOM 0 HB2 HIS B 10 5.894 2.666 -17.020 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.373 2.845 -17.870 1.00 25.00 H new ATOM 0 HD1 HIS B 10 4.341 1.760 -20.107 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.185 3.058 -19.050 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.905 1.080 -21.991 1.00 25.00 H new ATOM 469 N LEU B 11 4.629 5.042 -15.480 1.00 25.00 N ATOM 470 CA LEU B 11 3.619 5.403 -14.486 1.00 25.00 C ATOM 471 C LEU B 11 3.298 6.891 -14.592 1.00 25.00 C ATOM 472 O LEU B 11 2.144 7.291 -14.584 1.00 25.00 O ATOM 473 CB LEU B 11 4.150 5.053 -13.085 1.00 25.00 C ATOM 474 CG LEU B 11 3.217 5.214 -11.872 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.984 4.333 -11.976 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.989 4.840 -10.607 1.00 25.00 C ATOM 0 H LEU B 11 5.522 4.751 -15.083 1.00 25.00 H new ATOM 0 HA LEU B 11 2.700 4.845 -14.666 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.483 4.015 -13.109 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.033 5.667 -12.905 1.00 25.00 H new ATOM 0 HG LEU B 11 2.883 6.251 -11.840 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.356 4.481 -11.098 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.423 4.597 -12.872 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.287 3.288 -12.033 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.339 4.950 -9.739 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.327 3.806 -10.679 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.852 5.497 -10.500 1.00 25.00 H new ATOM 488 N VAL B 12 4.338 7.695 -14.755 1.00 25.00 N ATOM 489 CA VAL B 12 4.197 9.144 -14.888 1.00 25.00 C ATOM 490 C VAL B 12 3.518 9.495 -16.213 1.00 25.00 C ATOM 491 O VAL B 12 2.631 10.338 -16.267 1.00 25.00 O ATOM 492 CB VAL B 12 5.600 9.822 -14.817 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.493 11.339 -14.938 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.301 9.450 -13.495 1.00 25.00 C ATOM 0 H VAL B 12 5.303 7.366 -14.799 1.00 25.00 H new ATOM 0 HA VAL B 12 3.578 9.511 -14.069 1.00 25.00 H new ATOM 0 HB VAL B 12 6.191 9.457 -15.657 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.489 11.779 -14.885 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.033 11.596 -15.892 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.881 11.727 -14.124 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.280 9.928 -13.455 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.696 9.790 -12.654 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.423 8.368 -13.440 1.00 25.00 H new ATOM 504 N GLU B 13 3.906 8.807 -17.276 1.00 25.00 N ATOM 505 CA GLU B 13 3.328 9.047 -18.601 1.00 25.00 C ATOM 506 C GLU B 13 1.834 8.729 -18.612 1.00 25.00 C ATOM 507 O GLU B 13 1.055 9.394 -19.285 1.00 25.00 O ATOM 508 CB GLU B 13 4.043 8.182 -19.641 1.00 25.00 C ATOM 509 CG GLU B 13 5.472 8.634 -19.933 1.00 25.00 C ATOM 510 CD GLU B 13 6.220 7.657 -20.795 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.506 6.534 -20.454 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.543 8.133 -21.945 1.00 25.00 O ATOM 0 H GLU B 13 4.618 8.077 -17.253 1.00 25.00 H new ATOM 0 HA GLU B 13 3.459 10.101 -18.845 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.061 7.150 -19.292 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.470 8.195 -20.568 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.449 9.605 -20.427 1.00 25.00 H new ATOM 0 HG3 GLU B 13 6.007 8.767 -18.993 1.00 25.00 H new ATOM 520 N ALA B 14 1.435 7.729 -17.846 1.00 25.00 N ATOM 521 CA ALA B 14 0.035 7.348 -17.774 1.00 25.00 C ATOM 522 C ALA B 14 -0.758 8.360 -16.949 1.00 25.00 C ATOM 523 O ALA B 14 -1.922 8.620 -17.232 1.00 25.00 O ATOM 524 CB ALA B 14 -0.083 5.972 -17.171 1.00 25.00 C ATOM 0 H ALA B 14 2.059 7.167 -17.266 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.380 7.335 -18.782 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.134 5.687 -17.117 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.456 5.256 -17.791 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.343 5.977 -16.168 1.00 25.00 H new ATOM 530 N LEU B 15 -0.125 8.935 -15.938 1.00 25.00 N ATOM 531 CA LEU B 15 -0.788 9.925 -15.095 1.00 25.00 C ATOM 532 C LEU B 15 -1.145 11.174 -15.879 1.00 25.00 C ATOM 533 O LEU B 15 -2.194 11.755 -15.645 1.00 25.00 O ATOM 534 CB LEU B 15 0.087 10.294 -13.893 1.00 25.00 C ATOM 535 CG LEU B 15 0.072 9.266 -12.754 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.176 9.552 -11.735 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.281 9.264 -12.056 1.00 25.00 C ATOM 0 H LEU B 15 0.842 8.736 -15.680 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.712 9.474 -14.733 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.114 10.424 -14.234 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.243 11.256 -13.501 1.00 25.00 H new ATOM 0 HG LEU B 15 0.252 8.285 -13.193 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.140 8.807 -10.940 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.147 9.509 -12.229 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.029 10.544 -11.309 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.274 8.529 -11.251 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.479 10.253 -11.643 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.060 9.008 -12.774 1.00 25.00 H new ATOM 549 N TYR B 16 -0.338 11.538 -16.867 1.00 25.00 N ATOM 550 CA TYR B 16 -0.670 12.679 -17.728 1.00 25.00 C ATOM 551 C TYR B 16 -2.008 12.454 -18.422 1.00 25.00 C ATOM 552 O TYR B 16 -2.795 13.376 -18.576 1.00 25.00 O ATOM 553 CB TYR B 16 0.399 12.902 -18.802 1.00 25.00 C ATOM 554 CG TYR B 16 1.593 13.698 -18.325 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.509 15.100 -18.183 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.815 13.067 -18.025 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.627 15.855 -17.736 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.938 13.822 -17.589 1.00 25.00 C ATOM 559 CZ TYR B 16 3.829 15.206 -17.444 1.00 25.00 C ATOM 560 OH TYR B 16 4.915 15.928 -17.022 1.00 25.00 O ATOM 0 H TYR B 16 0.540 11.071 -17.095 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.722 13.558 -17.085 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.743 11.933 -19.165 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -0.054 13.417 -19.649 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.584 15.605 -18.417 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.901 11.995 -18.127 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.548 16.926 -17.623 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.872 13.326 -17.371 1.00 25.00 H new ATOM 0 HH TYR B 16 5.668 15.322 -16.862 1.00 25.00 H new ATOM 570 N LEU B 17 -2.273 11.224 -18.831 1.00 25.00 N ATOM 571 CA LEU B 17 -3.523 10.913 -19.517 1.00 25.00 C ATOM 572 C LEU B 17 -4.722 10.942 -18.583 1.00 25.00 C ATOM 573 O LEU B 17 -5.794 11.404 -18.949 1.00 25.00 O ATOM 574 CB LEU B 17 -3.465 9.518 -20.125 1.00 25.00 C ATOM 575 CG LEU B 17 -2.344 9.214 -21.132 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.349 7.711 -21.445 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.507 10.018 -22.421 1.00 25.00 C ATOM 0 H LEU B 17 -1.647 10.429 -18.703 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.641 11.678 -20.284 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.383 8.801 -19.308 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.418 9.330 -20.620 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.392 9.503 -20.687 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.557 7.485 -22.159 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.181 7.148 -20.527 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.312 7.431 -21.872 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.695 9.775 -23.107 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.461 9.770 -22.886 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.481 11.083 -22.191 1.00 25.00 H new ATOM 589 N VAL B 18 -4.551 10.380 -17.396 1.00 25.00 N ATOM 590 CA VAL B 18 -5.658 10.232 -16.451 1.00 25.00 C ATOM 591 C VAL B 18 -5.999 11.574 -15.826 1.00 25.00 C ATOM 592 O VAL B 18 -7.167 11.932 -15.699 1.00 25.00 O ATOM 593 CB VAL B 18 -5.299 9.185 -15.355 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.403 9.068 -14.289 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.082 7.822 -16.019 1.00 25.00 C ATOM 0 H VAL B 18 -3.659 10.018 -17.060 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.535 9.873 -16.990 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.390 9.516 -14.854 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.112 8.327 -13.544 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.545 10.034 -13.804 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.335 8.760 -14.763 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.830 7.083 -15.259 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.994 7.518 -16.532 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.267 7.894 -16.739 1.00 25.00 H new ATOM 605 N CYS B 19 -4.980 12.332 -15.463 1.00 25.00 N ATOM 606 CA CYS B 19 -5.190 13.632 -14.851 1.00 25.00 C ATOM 607 C CYS B 19 -5.545 14.688 -15.889 1.00 25.00 C ATOM 608 O CYS B 19 -6.208 15.687 -15.569 1.00 25.00 O ATOM 609 CB CYS B 19 -3.938 14.047 -14.085 1.00 25.00 C ATOM 610 SG CYS B 19 -3.579 12.907 -12.713 1.00 25.00 S ATOM 0 H CYS B 19 -4.001 12.071 -15.581 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.030 13.551 -14.161 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.088 14.076 -14.766 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.068 15.056 -13.695 1.00 25.00 H new ATOM 615 N GLY B 20 -5.126 14.479 -17.130 1.00 25.00 N ATOM 616 CA GLY B 20 -5.377 15.469 -18.158 1.00 25.00 C ATOM 617 C GLY B 20 -4.764 16.806 -17.785 1.00 25.00 C ATOM 618 O GLY B 20 -3.690 16.879 -17.189 1.00 25.00 O ATOM 0 H GLY B 20 -4.621 13.649 -17.441 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.963 15.127 -19.107 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.451 15.585 -18.302 1.00 25.00 H new ATOM 622 N GLU B 21 -5.473 17.876 -18.107 1.00 25.00 N ATOM 623 CA GLU B 21 -4.996 19.235 -17.844 1.00 25.00 C ATOM 624 C GLU B 21 -4.955 19.637 -16.362 1.00 25.00 C ATOM 625 O GLU B 21 -4.423 20.692 -16.044 1.00 25.00 O ATOM 626 CB GLU B 21 -5.882 20.244 -18.590 1.00 25.00 C ATOM 627 CG GLU B 21 -5.841 20.118 -20.115 1.00 25.00 C ATOM 628 CD GLU B 21 -4.466 20.344 -20.678 1.00 25.00 C ATOM 629 OE1 GLU B 21 -3.749 21.244 -20.355 1.00 25.00 O ATOM 630 OE2 GLU B 21 -4.124 19.475 -21.560 1.00 25.00 O ATOM 0 H GLU B 21 -6.389 17.834 -18.555 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.965 19.246 -18.197 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.912 20.121 -18.255 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.575 21.253 -18.313 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -6.189 19.126 -20.403 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -6.532 20.838 -20.554 1.00 25.00 H new ATOM 638 N ARG B 22 -5.512 18.839 -15.451 1.00 25.00 N ATOM 639 CA ARG B 22 -5.518 19.237 -14.039 1.00 25.00 C ATOM 640 C ARG B 22 -4.124 19.109 -13.415 1.00 25.00 C ATOM 641 O ARG B 22 -3.840 19.711 -12.385 1.00 25.00 O ATOM 642 CB ARG B 22 -6.561 18.436 -13.254 1.00 25.00 C ATOM 643 CG ARG B 22 -6.017 17.228 -12.519 1.00 25.00 C ATOM 644 CD ARG B 22 -7.131 16.373 -11.998 1.00 25.00 C ATOM 645 NE ARG B 22 -7.664 15.496 -13.047 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.308 14.351 -12.837 1.00 25.00 C ATOM 647 NH1 ARG B 22 -8.544 13.889 -11.635 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.703 13.645 -13.853 1.00 25.00 N ATOM 0 H ARG B 22 -5.952 17.941 -15.653 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.797 20.289 -13.988 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -7.038 19.098 -12.531 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -7.337 18.104 -13.943 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -5.387 16.643 -13.189 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -5.386 17.554 -11.692 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -6.770 15.770 -11.165 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -7.929 17.007 -11.611 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.530 15.788 -14.015 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -8.231 14.412 -10.817 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.041 13.006 -11.516 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.519 13.970 -14.802 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.197 12.766 -13.702 1.00 25.00 H new ATOM 662 N GLY B 23 -3.259 18.339 -14.064 1.00 25.00 N ATOM 663 CA GLY B 23 -1.907 18.140 -13.569 1.00 25.00 C ATOM 664 C GLY B 23 -1.837 17.148 -12.423 1.00 25.00 C ATOM 665 O GLY B 23 -2.856 16.643 -11.954 1.00 25.00 O ATOM 0 H GLY B 23 -3.471 17.845 -14.931 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.275 17.790 -14.385 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.502 19.097 -13.240 1.00 25.00 H new ATOM 669 N PHE B 24 -0.620 16.844 -11.998 1.00 25.00 N ATOM 670 CA PHE B 24 -0.358 15.904 -10.909 1.00 25.00 C ATOM 671 C PHE B 24 1.105 16.096 -10.557 1.00 25.00 C ATOM 672 O PHE B 24 1.818 16.807 -11.265 1.00 25.00 O ATOM 673 CB PHE B 24 -0.584 14.453 -11.355 1.00 25.00 C ATOM 674 CG PHE B 24 0.385 13.985 -12.402 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.183 14.303 -13.754 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.516 13.233 -12.038 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.103 13.888 -14.736 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.448 12.811 -13.011 1.00 25.00 C ATOM 679 CZ PHE B 24 2.241 13.145 -14.367 1.00 25.00 C ATOM 0 H PHE B 24 0.226 17.246 -12.402 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.026 16.088 -10.068 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.510 13.799 -10.486 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.598 14.355 -11.742 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.688 14.872 -14.044 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.674 12.975 -11.001 1.00 25.00 H new ATOM 0 HE1 PHE B 24 0.936 14.140 -15.773 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.314 12.236 -12.720 1.00 25.00 H new ATOM 0 HZ PHE B 24 2.952 12.832 -15.118 1.00 25.00 H new ATOM 689 N PHE B 25 1.570 15.403 -9.533 1.00 25.00 N ATOM 690 CA PHE B 25 2.985 15.371 -9.199 1.00 25.00 C ATOM 691 C PHE B 25 3.303 13.926 -8.850 1.00 25.00 C ATOM 692 O PHE B 25 2.397 13.139 -8.583 1.00 25.00 O ATOM 693 CB PHE B 25 3.292 16.305 -8.022 1.00 25.00 C ATOM 694 CG PHE B 25 2.593 15.920 -6.744 1.00 25.00 C ATOM 695 CD1 PHE B 25 1.290 16.382 -6.471 1.00 25.00 C ATOM 696 CD2 PHE B 25 3.235 15.091 -5.802 1.00 25.00 C ATOM 697 CE1 PHE B 25 0.625 16.011 -5.278 1.00 25.00 C ATOM 698 CE2 PHE B 25 2.580 14.714 -4.603 1.00 25.00 C ATOM 699 CZ PHE B 25 1.272 15.178 -4.343 1.00 25.00 C ATOM 0 H PHE B 25 0.982 14.848 -8.911 1.00 25.00 H new ATOM 0 HA PHE B 25 3.597 15.718 -10.032 1.00 25.00 H new ATOM 0 HB2 PHE B 25 4.368 16.314 -7.848 1.00 25.00 H new ATOM 0 HB3 PHE B 25 3.004 17.321 -8.291 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.793 17.027 -7.181 1.00 25.00 H new ATOM 0 HD2 PHE B 25 4.237 14.739 -5.996 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -0.377 16.366 -5.084 1.00 25.00 H new ATOM 0 HE2 PHE B 25 3.080 14.074 -3.891 1.00 25.00 H new ATOM 0 HZ PHE B 25 0.769 14.895 -3.430 1.00 25.00 H new ATOM 709 N TYR B 26 4.577 13.574 -8.844 1.00 25.00 N ATOM 710 CA TYR B 26 4.993 12.228 -8.473 1.00 25.00 C ATOM 711 C TYR B 26 6.261 12.348 -7.654 1.00 25.00 C ATOM 712 O TYR B 26 7.108 13.187 -7.942 1.00 25.00 O ATOM 713 CB TYR B 26 5.247 11.369 -9.710 1.00 25.00 C ATOM 714 CG TYR B 26 5.657 9.962 -9.342 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.688 9.007 -8.973 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.016 9.582 -9.324 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.068 7.695 -8.594 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.398 8.266 -8.956 1.00 25.00 C ATOM 719 CZ TYR B 26 6.419 7.336 -8.595 1.00 25.00 C ATOM 720 OH TYR B 26 6.783 6.067 -8.228 1.00 25.00 O ATOM 0 H TYR B 26 5.343 14.200 -9.092 1.00 25.00 H new ATOM 0 HA TYR B 26 4.204 11.744 -7.898 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.345 11.337 -10.321 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.027 11.828 -10.317 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.643 9.278 -8.979 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.775 10.302 -9.594 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.316 6.975 -8.305 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.441 7.984 -8.955 1.00 25.00 H new ATOM 0 HH TYR B 26 7.757 5.977 -8.283 1.00 25.00 H new ATOM 730 N THR B 27 6.382 11.529 -6.624 1.00 25.00 N ATOM 731 CA THR B 27 7.528 11.585 -5.727 1.00 25.00 C ATOM 732 C THR B 27 8.400 10.331 -5.858 1.00 25.00 C ATOM 733 O THR B 27 7.983 9.229 -5.460 1.00 25.00 O ATOM 734 CB THR B 27 7.053 11.747 -4.271 1.00 25.00 C ATOM 735 OG1 THR B 27 5.968 10.848 -4.014 1.00 25.00 O ATOM 736 CG2 THR B 27 6.534 13.152 -4.038 1.00 25.00 C ATOM 0 H THR B 27 5.697 10.812 -6.385 1.00 25.00 H new ATOM 0 HA THR B 27 8.133 12.448 -6.007 1.00 25.00 H new ATOM 0 HB THR B 27 7.899 11.539 -3.616 1.00 25.00 H new ATOM 0 HG1 THR B 27 5.669 10.952 -3.086 1.00 25.00 H new ATOM 0 HG21 THR B 27 6.202 13.251 -3.004 1.00 25.00 H new ATOM 0 HG22 THR B 27 7.330 13.871 -4.234 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.697 13.346 -4.708 1.00 25.00 H new ATOM 744 N PRO B 28 9.623 10.470 -6.416 1.00 25.00 N ATOM 745 CA PRO B 28 10.497 9.293 -6.485 1.00 25.00 C ATOM 746 C PRO B 28 10.961 8.896 -5.089 1.00 25.00 C ATOM 747 O PRO B 28 10.891 9.695 -4.158 1.00 25.00 O ATOM 748 CB PRO B 28 11.661 9.779 -7.353 1.00 25.00 C ATOM 749 CG PRO B 28 11.736 11.228 -7.071 1.00 25.00 C ATOM 750 CD PRO B 28 10.299 11.665 -6.964 1.00 25.00 C ATOM 0 HA PRO B 28 10.013 8.406 -6.894 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.591 9.273 -7.093 1.00 25.00 H new ATOM 0 HB3 PRO B 28 11.478 9.587 -8.410 1.00 25.00 H new ATOM 0 HG2 PRO B 28 12.281 11.425 -6.148 1.00 25.00 H new ATOM 0 HG3 PRO B 28 12.255 11.761 -7.867 1.00 25.00 H new ATOM 0 HD2 PRO B 28 10.188 12.527 -6.307 1.00 25.00 H new ATOM 0 HD3 PRO B 28 9.891 11.949 -7.934 1.00 25.00 H new ATOM 758 N LYS B 29 11.369 7.642 -4.922 1.00 25.00 N ATOM 759 CA LYS B 29 11.693 7.121 -3.591 1.00 25.00 C ATOM 760 C LYS B 29 13.028 6.393 -3.577 1.00 25.00 C ATOM 761 O LYS B 29 13.110 5.179 -3.722 1.00 25.00 O ATOM 762 CB LYS B 29 10.558 6.203 -3.111 1.00 25.00 C ATOM 763 CG LYS B 29 9.200 6.887 -3.238 1.00 25.00 C ATOM 764 CD LYS B 29 8.073 6.157 -2.546 1.00 25.00 C ATOM 765 CE LYS B 29 6.730 6.765 -2.974 1.00 25.00 C ATOM 766 NZ LYS B 29 6.731 8.271 -2.871 1.00 25.00 N ATOM 0 H LYS B 29 11.484 6.970 -5.681 1.00 25.00 H new ATOM 0 HA LYS B 29 11.789 7.963 -2.906 1.00 25.00 H new ATOM 0 HB2 LYS B 29 10.560 5.283 -3.695 1.00 25.00 H new ATOM 0 HB3 LYS B 29 10.730 5.921 -2.072 1.00 25.00 H new ATOM 0 HG2 LYS B 29 9.273 7.894 -2.827 1.00 25.00 H new ATOM 0 HG3 LYS B 29 8.956 6.991 -4.295 1.00 25.00 H new ATOM 0 HD2 LYS B 29 8.102 5.097 -2.800 1.00 25.00 H new ATOM 0 HD3 LYS B 29 8.189 6.229 -1.465 1.00 25.00 H new ATOM 0 HE2 LYS B 29 6.511 6.472 -4.001 1.00 25.00 H new ATOM 0 HE3 LYS B 29 5.934 6.360 -2.350 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 5.754 8.612 -2.766 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 7.291 8.562 -2.044 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 7.149 8.678 -3.732 1.00 25.00 H new ATOM 780 N THR B 30 14.097 7.157 -3.413 1.00 25.00 N ATOM 781 CA THR B 30 15.454 6.613 -3.365 1.00 25.00 C ATOM 782 C THR B 30 15.755 5.999 -1.995 1.00 25.00 C ATOM 783 O THR B 30 16.396 6.540 -1.118 1.00 25.00 O ATOM 784 CB THR B 30 16.460 7.730 -3.711 1.00 25.00 C ATOM 785 OG1 THR B 30 16.055 8.899 -3.008 1.00 25.00 O ATOM 786 CG2 THR B 30 16.417 8.063 -5.211 1.00 25.00 C ATOM 787 OXT THR B 30 15.194 4.837 -1.830 1.00 25.00 O ATOM 0 H THR B 30 14.053 8.171 -3.309 1.00 25.00 H new ATOM 0 HA THR B 30 15.545 5.813 -4.099 1.00 25.00 H new ATOM 0 HB THR B 30 17.465 7.403 -3.443 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.676 9.631 -3.205 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.135 8.853 -5.429 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.670 7.174 -5.789 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.416 8.398 -5.481 1.00 25.00 H new TER 796 THR B 30