USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 374 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 180:sc= 0.00596 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.0333 K(o=0.039,f=-5.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 74:sc= 0.123 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.468 K(o=-0.47,f=-3.6!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.382 K(o=-0.38,f=-2.4!) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.239 (180deg=0.0466) USER MOD Single : B 3 ASN : amide:sc= -4.46! C(o=-4.5!,f=-7.2!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -4.81! C(o=-7.5!,f=-4.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0157 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 27 THR OG1 : rot 180:sc= 0.479 USER MOD Single : B 28 LYS NZ :NH3+ -157:sc= -0.195 (180deg=-1.16) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.928 8.767 0.948 1.00 0.00 N ATOM 2 CA GLY A 1 -5.416 7.681 0.000 1.00 0.00 C ATOM 3 C GLY A 1 -3.970 7.316 0.009 1.00 0.00 C ATOM 4 O GLY A 1 -3.166 7.933 0.680 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.951 8.894 0.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.743 8.485 1.932 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.438 9.662 0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.983 6.773 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.668 7.989 -1.015 1.00 0.00 H new ATOM 10 N ILE A 2 -3.601 6.312 -0.741 1.00 0.00 N ATOM 11 CA ILE A 2 -2.173 5.898 -0.791 1.00 0.00 C ATOM 12 C ILE A 2 -1.587 6.350 -2.124 1.00 0.00 C ATOM 13 O ILE A 2 -0.456 6.781 -2.212 1.00 0.00 O ATOM 14 CB ILE A 2 -2.079 4.375 -0.681 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.610 3.954 -0.557 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.688 3.742 -1.931 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.489 2.444 -0.766 1.00 0.00 C ATOM 0 H ILE A 2 -4.231 5.760 -1.323 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.621 6.349 0.034 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.623 4.040 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.006 4.483 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.225 4.227 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.623 2.656 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.733 4.038 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.142 4.079 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.556 2.147 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.079 1.924 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.857 2.183 -1.758 1.00 0.00 H new ATOM 29 N VAL A 3 -2.366 6.252 -3.162 1.00 0.00 N ATOM 30 CA VAL A 3 -1.891 6.667 -4.508 1.00 0.00 C ATOM 31 C VAL A 3 -1.312 8.081 -4.444 1.00 0.00 C ATOM 32 O VAL A 3 -0.322 8.384 -5.080 1.00 0.00 O ATOM 33 CB VAL A 3 -3.071 6.644 -5.478 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.553 6.759 -6.907 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.839 5.329 -5.320 1.00 0.00 C ATOM 0 H VAL A 3 -3.322 5.898 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.115 5.981 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.736 7.480 -5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.393 6.743 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.006 7.695 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.889 5.922 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.681 5.314 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.175 4.492 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.208 5.244 -4.298 1.00 0.00 H new ATOM 45 N GLU A 4 -1.922 8.953 -3.688 1.00 0.00 N ATOM 46 CA GLU A 4 -1.406 10.350 -3.595 1.00 0.00 C ATOM 47 C GLU A 4 -0.349 10.438 -2.493 1.00 0.00 C ATOM 48 O GLU A 4 0.620 11.162 -2.605 1.00 0.00 O ATOM 49 CB GLU A 4 -2.562 11.297 -3.265 1.00 0.00 C ATOM 50 CG GLU A 4 -2.011 12.694 -2.969 1.00 0.00 C ATOM 51 CD GLU A 4 -2.519 13.676 -4.026 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.574 14.251 -3.814 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.844 13.837 -5.030 1.00 0.00 O ATOM 0 H GLU A 4 -2.754 8.759 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.959 10.633 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.261 11.340 -4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.117 10.924 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.324 13.017 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.921 12.674 -2.969 1.00 0.00 H new ATOM 60 N GLN A 5 -0.534 9.712 -1.427 1.00 0.00 N ATOM 61 CA GLN A 5 0.454 9.756 -0.311 1.00 0.00 C ATOM 62 C GLN A 5 1.721 8.993 -0.707 1.00 0.00 C ATOM 63 O GLN A 5 2.821 9.386 -0.373 1.00 0.00 O ATOM 64 CB GLN A 5 -0.161 9.114 0.934 1.00 0.00 C ATOM 65 CG GLN A 5 -0.093 10.093 2.108 1.00 0.00 C ATOM 66 CD GLN A 5 0.190 9.322 3.400 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.241 9.469 3.990 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.709 8.499 3.865 1.00 0.00 N ATOM 0 H GLN A 5 -1.328 9.089 -1.279 1.00 0.00 H new ATOM 0 HA GLN A 5 0.714 10.793 -0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.197 8.838 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.372 8.196 1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.689 10.832 1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.033 10.638 2.196 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.592 8.375 3.370 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.529 7.979 4.724 1.00 0.00 H new ATOM 77 N CYS A 6 1.580 7.905 -1.418 1.00 0.00 N ATOM 78 CA CYS A 6 2.785 7.129 -1.829 1.00 0.00 C ATOM 79 C CYS A 6 3.448 7.820 -3.020 1.00 0.00 C ATOM 80 O CYS A 6 4.600 7.585 -3.325 1.00 0.00 O ATOM 81 CB CYS A 6 2.375 5.709 -2.231 1.00 0.00 C ATOM 82 SG CYS A 6 2.867 4.547 -0.931 1.00 0.00 S ATOM 0 H CYS A 6 0.687 7.523 -1.730 1.00 0.00 H new ATOM 0 HA CYS A 6 3.484 7.079 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.297 5.661 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.847 5.436 -3.175 1.00 0.00 H new ATOM 87 N CYS A 7 2.728 8.673 -3.698 1.00 0.00 N ATOM 88 CA CYS A 7 3.318 9.378 -4.869 1.00 0.00 C ATOM 89 C CYS A 7 4.002 10.661 -4.400 1.00 0.00 C ATOM 90 O CYS A 7 5.106 10.971 -4.803 1.00 0.00 O ATOM 91 CB CYS A 7 2.211 9.736 -5.865 1.00 0.00 C ATOM 92 SG CYS A 7 2.185 8.544 -7.227 1.00 0.00 S ATOM 0 H CYS A 7 1.758 8.911 -3.491 1.00 0.00 H new ATOM 0 HA CYS A 7 4.047 8.726 -5.350 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.245 9.743 -5.360 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.374 10.741 -6.255 1.00 0.00 H new ATOM 97 N THR A 8 3.354 11.413 -3.552 1.00 0.00 N ATOM 98 CA THR A 8 3.969 12.676 -3.059 1.00 0.00 C ATOM 99 C THR A 8 4.808 12.376 -1.814 1.00 0.00 C ATOM 100 O THR A 8 5.721 13.103 -1.476 1.00 0.00 O ATOM 101 CB THR A 8 2.865 13.686 -2.721 1.00 0.00 C ATOM 102 OG1 THR A 8 3.415 14.995 -2.698 1.00 0.00 O ATOM 103 CG2 THR A 8 2.255 13.365 -1.353 1.00 0.00 C ATOM 0 H THR A 8 2.427 11.207 -3.180 1.00 0.00 H new ATOM 0 HA THR A 8 4.611 13.100 -3.831 1.00 0.00 H new ATOM 0 HB THR A 8 2.085 13.627 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.711 15.642 -2.484 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.473 14.089 -1.125 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.828 12.362 -1.371 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.030 13.415 -0.588 1.00 0.00 H new ATOM 111 N SER A 9 4.506 11.304 -1.133 1.00 0.00 N ATOM 112 CA SER A 9 5.285 10.950 0.086 1.00 0.00 C ATOM 113 C SER A 9 5.973 9.602 -0.132 1.00 0.00 C ATOM 114 O SER A 9 5.474 8.746 -0.835 1.00 0.00 O ATOM 115 CB SER A 9 4.342 10.852 1.285 1.00 0.00 C ATOM 116 OG SER A 9 3.181 11.632 1.034 1.00 0.00 O ATOM 0 H SER A 9 3.753 10.658 -1.369 1.00 0.00 H new ATOM 0 HA SER A 9 6.034 11.718 0.278 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.065 9.812 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.843 11.205 2.186 1.00 0.00 H new ATOM 0 HG SER A 9 2.614 11.174 0.379 1.00 0.00 H new ATOM 122 N ILE A 10 7.118 9.405 0.462 1.00 0.00 N ATOM 123 CA ILE A 10 7.836 8.113 0.283 1.00 0.00 C ATOM 124 C ILE A 10 7.221 7.052 1.195 1.00 0.00 C ATOM 125 O ILE A 10 6.852 7.325 2.320 1.00 0.00 O ATOM 126 CB ILE A 10 9.309 8.300 0.641 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.928 9.323 -0.332 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.023 6.945 0.547 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.350 8.914 -0.735 1.00 0.00 C ATOM 0 H ILE A 10 7.587 10.083 1.063 1.00 0.00 H new ATOM 0 HA ILE A 10 7.749 7.790 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 10 9.416 8.675 1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.304 9.406 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.948 10.307 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.076 7.070 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.563 6.242 1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.938 6.559 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.761 9.654 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.978 8.856 0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.324 7.940 -1.225 1.00 0.00 H new ATOM 141 N CYS A 11 7.115 5.842 0.720 1.00 0.00 N ATOM 142 CA CYS A 11 6.530 4.759 1.564 1.00 0.00 C ATOM 143 C CYS A 11 7.386 3.499 1.427 1.00 0.00 C ATOM 144 O CYS A 11 7.698 3.066 0.337 1.00 0.00 O ATOM 145 CB CYS A 11 5.087 4.453 1.126 1.00 0.00 C ATOM 146 SG CYS A 11 4.817 4.960 -0.594 1.00 0.00 S ATOM 0 H CYS A 11 7.407 5.555 -0.214 1.00 0.00 H new ATOM 0 HA CYS A 11 6.515 5.088 2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.888 3.386 1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.386 4.974 1.778 1.00 0.00 H new ATOM 151 N SER A 12 7.777 2.912 2.526 1.00 0.00 N ATOM 152 CA SER A 12 8.623 1.687 2.456 1.00 0.00 C ATOM 153 C SER A 12 7.743 0.437 2.529 1.00 0.00 C ATOM 154 O SER A 12 6.567 0.508 2.834 1.00 0.00 O ATOM 155 CB SER A 12 9.610 1.682 3.624 1.00 0.00 C ATOM 156 OG SER A 12 8.920 2.007 4.824 1.00 0.00 O ATOM 0 H SER A 12 7.547 3.228 3.468 1.00 0.00 H new ATOM 0 HA SER A 12 9.169 1.685 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.079 0.702 3.715 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.408 2.402 3.444 1.00 0.00 H new ATOM 0 HG SER A 12 9.550 2.003 5.575 1.00 0.00 H new ATOM 162 N LEU A 13 8.312 -0.705 2.234 1.00 0.00 N ATOM 163 CA LEU A 13 7.540 -1.979 2.263 1.00 0.00 C ATOM 164 C LEU A 13 6.496 -1.956 3.380 1.00 0.00 C ATOM 165 O LEU A 13 5.373 -2.383 3.199 1.00 0.00 O ATOM 166 CB LEU A 13 8.494 -3.152 2.488 1.00 0.00 C ATOM 167 CG LEU A 13 7.700 -4.459 2.529 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.362 -5.490 1.612 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.678 -4.993 3.961 1.00 0.00 C ATOM 0 H LEU A 13 9.292 -0.807 1.971 1.00 0.00 H new ATOM 0 HA LEU A 13 7.028 -2.093 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.235 -3.190 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.039 -3.016 3.422 1.00 0.00 H new ATOM 0 HG LEU A 13 6.680 -4.275 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.795 -6.421 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.381 -5.110 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.382 -5.675 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.113 -5.924 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.699 -5.176 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.207 -4.260 4.616 1.00 0.00 H new ATOM 181 N TYR A 14 6.854 -1.466 4.530 1.00 0.00 N ATOM 182 CA TYR A 14 5.875 -1.424 5.651 1.00 0.00 C ATOM 183 C TYR A 14 4.532 -0.900 5.138 1.00 0.00 C ATOM 184 O TYR A 14 3.540 -1.601 5.144 1.00 0.00 O ATOM 185 CB TYR A 14 6.398 -0.505 6.756 1.00 0.00 C ATOM 186 CG TYR A 14 7.222 -1.315 7.727 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.589 -2.175 8.633 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.618 -1.209 7.717 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.354 -2.931 9.532 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.383 -1.964 8.615 1.00 0.00 C ATOM 191 CZ TYR A 14 8.750 -2.825 9.523 1.00 0.00 C ATOM 192 OH TYR A 14 9.504 -3.570 10.407 1.00 0.00 O ATOM 0 H TYR A 14 7.779 -1.093 4.744 1.00 0.00 H new ATOM 0 HA TYR A 14 5.741 -2.429 6.052 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.002 0.294 6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.565 -0.030 7.275 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.512 -2.256 8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.105 -0.546 7.017 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.867 -3.595 10.231 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.460 -1.883 8.608 1.00 0.00 H new ATOM 0 HH TYR A 14 10.455 -3.379 10.268 1.00 0.00 H new ATOM 202 N GLN A 15 4.494 0.323 4.686 1.00 0.00 N ATOM 203 CA GLN A 15 3.219 0.886 4.169 1.00 0.00 C ATOM 204 C GLN A 15 2.631 -0.085 3.150 1.00 0.00 C ATOM 205 O GLN A 15 1.441 -0.327 3.115 1.00 0.00 O ATOM 206 CB GLN A 15 3.492 2.233 3.495 1.00 0.00 C ATOM 207 CG GLN A 15 3.507 3.339 4.551 1.00 0.00 C ATOM 208 CD GLN A 15 4.710 3.147 5.475 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.715 2.590 5.077 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.654 3.587 6.702 1.00 0.00 N ATOM 0 H GLN A 15 5.293 0.956 4.653 1.00 0.00 H new ATOM 0 HA GLN A 15 2.517 1.032 4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.448 2.203 2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.726 2.440 2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.557 4.315 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.584 3.316 5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.812 4.055 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.452 3.463 7.325 1.00 0.00 H new ATOM 219 N LEU A 16 3.465 -0.645 2.322 1.00 0.00 N ATOM 220 CA LEU A 16 2.971 -1.608 1.301 1.00 0.00 C ATOM 221 C LEU A 16 2.301 -2.793 1.994 1.00 0.00 C ATOM 222 O LEU A 16 1.158 -3.115 1.738 1.00 0.00 O ATOM 223 CB LEU A 16 4.144 -2.115 0.483 1.00 0.00 C ATOM 224 CG LEU A 16 4.613 -1.002 -0.446 1.00 0.00 C ATOM 225 CD1 LEU A 16 6.040 -0.599 -0.096 1.00 0.00 C ATOM 226 CD2 LEU A 16 4.571 -1.505 -1.881 1.00 0.00 C ATOM 0 H LEU A 16 4.471 -0.477 2.308 1.00 0.00 H new ATOM 0 HA LEU A 16 2.251 -1.108 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.956 -2.425 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.850 -2.991 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 16 3.960 -0.137 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.368 0.197 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.076 -0.245 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.699 -1.460 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.905 -0.715 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.227 -2.370 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.551 -1.791 -2.136 1.00 0.00 H new ATOM 238 N GLU A 17 3.015 -3.445 2.871 1.00 0.00 N ATOM 239 CA GLU A 17 2.435 -4.615 3.587 1.00 0.00 C ATOM 240 C GLU A 17 1.137 -4.204 4.284 1.00 0.00 C ATOM 241 O GLU A 17 0.346 -5.037 4.683 1.00 0.00 O ATOM 242 CB GLU A 17 3.436 -5.121 4.630 1.00 0.00 C ATOM 243 CG GLU A 17 3.379 -6.649 4.698 1.00 0.00 C ATOM 244 CD GLU A 17 4.149 -7.136 5.927 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.701 -6.302 6.626 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.174 -8.336 6.148 1.00 0.00 O ATOM 0 H GLU A 17 3.977 -3.217 3.122 1.00 0.00 H new ATOM 0 HA GLU A 17 2.222 -5.407 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.443 -4.796 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.206 -4.695 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.343 -6.983 4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.808 -7.080 3.793 1.00 0.00 H new ATOM 253 N ASN A 18 0.910 -2.930 4.438 1.00 0.00 N ATOM 254 CA ASN A 18 -0.335 -2.474 5.111 1.00 0.00 C ATOM 255 C ASN A 18 -1.456 -2.326 4.081 1.00 0.00 C ATOM 256 O ASN A 18 -2.524 -1.833 4.384 1.00 0.00 O ATOM 257 CB ASN A 18 -0.081 -1.127 5.788 1.00 0.00 C ATOM 258 CG ASN A 18 -0.617 -1.168 7.220 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.888 -2.228 7.749 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.782 -0.052 7.874 1.00 0.00 N ATOM 0 H ASN A 18 1.534 -2.185 4.127 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.631 -3.209 5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.986 -0.906 5.794 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.569 -0.329 5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.138 -0.069 8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.555 0.838 7.430 1.00 0.00 H new ATOM 267 N TYR A 19 -1.227 -2.747 2.865 1.00 0.00 N ATOM 268 CA TYR A 19 -2.294 -2.622 1.830 1.00 0.00 C ATOM 269 C TYR A 19 -2.420 -3.940 1.063 1.00 0.00 C ATOM 270 O TYR A 19 -2.613 -3.956 -0.137 1.00 0.00 O ATOM 271 CB TYR A 19 -1.940 -1.494 0.859 1.00 0.00 C ATOM 272 CG TYR A 19 -1.795 -0.201 1.625 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.856 0.273 2.408 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.596 0.522 1.559 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.719 1.470 3.124 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.458 1.718 2.276 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.520 2.192 3.059 1.00 0.00 C ATOM 278 OH TYR A 19 -1.385 3.370 3.767 1.00 0.00 O ATOM 0 H TYR A 19 -0.355 -3.169 2.546 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.243 -2.394 2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.012 -1.726 0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.716 -1.395 0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.780 -0.284 2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.222 0.157 0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.538 1.836 3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.466 2.275 2.225 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.492 3.744 3.613 1.00 0.00 H new ATOM 288 N CYS A 20 -2.319 -5.047 1.748 1.00 0.00 N ATOM 289 CA CYS A 20 -2.438 -6.362 1.057 1.00 0.00 C ATOM 290 C CYS A 20 -2.773 -7.450 2.081 1.00 0.00 C ATOM 291 O CYS A 20 -2.563 -7.288 3.266 1.00 0.00 O ATOM 292 CB CYS A 20 -1.114 -6.702 0.369 1.00 0.00 C ATOM 293 SG CYS A 20 -1.292 -8.262 -0.534 1.00 0.00 S ATOM 0 H CYS A 20 -2.160 -5.097 2.754 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.231 -6.307 0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.831 -5.902 -0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.318 -6.785 1.108 1.00 0.00 H new ATOM 298 N ASN A 21 -3.295 -8.559 1.631 1.00 0.00 N ATOM 299 CA ASN A 21 -3.642 -9.656 2.577 1.00 0.00 C ATOM 300 C ASN A 21 -2.436 -9.962 3.467 1.00 0.00 C ATOM 301 O ASN A 21 -2.601 -10.703 4.422 1.00 0.00 O ATOM 302 CB ASN A 21 -4.022 -10.911 1.787 1.00 0.00 C ATOM 303 CG ASN A 21 -5.536 -11.120 1.856 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.175 -10.714 2.807 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.139 -11.741 0.882 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.366 -9.450 3.176 1.00 0.00 O ATOM 0 H ASN A 21 -3.496 -8.752 0.650 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.484 -9.347 3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.705 -10.810 0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.505 -11.780 2.194 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.148 -11.887 0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.602 -12.081 0.084 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.705 -0.722 -0.947 1.00 0.00 N ATOM 315 CA PHE B 1 10.706 -1.720 -0.475 1.00 0.00 C ATOM 316 C PHE B 1 11.573 -1.095 0.621 1.00 0.00 C ATOM 317 O PHE B 1 11.360 -1.320 1.796 1.00 0.00 O ATOM 318 CB PHE B 1 11.590 -2.149 -1.648 1.00 0.00 C ATOM 319 CG PHE B 1 10.750 -2.869 -2.676 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.230 -4.140 -2.395 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.492 -2.267 -3.915 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.452 -4.807 -3.351 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.715 -2.933 -4.871 1.00 0.00 C ATOM 324 CZ PHE B 1 9.195 -4.204 -4.590 1.00 0.00 C ATOM 0 H1 PHE B 1 9.531 -0.859 -1.963 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.815 -0.848 -0.423 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.069 0.239 -0.785 1.00 0.00 H new ATOM 0 HA PHE B 1 10.190 -2.592 -0.073 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.065 -1.277 -2.097 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.389 -2.801 -1.295 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.429 -4.606 -1.441 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.893 -1.288 -4.133 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.050 -5.786 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.516 -2.467 -5.825 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.597 -4.718 -5.328 1.00 0.00 H new ATOM 336 N VAL B 2 12.547 -0.307 0.249 1.00 0.00 N ATOM 337 CA VAL B 2 13.420 0.332 1.278 1.00 0.00 C ATOM 338 C VAL B 2 12.835 1.692 1.661 1.00 0.00 C ATOM 339 O VAL B 2 12.420 1.909 2.782 1.00 0.00 O ATOM 340 CB VAL B 2 14.834 0.530 0.720 1.00 0.00 C ATOM 341 CG1 VAL B 2 15.852 0.386 1.853 1.00 0.00 C ATOM 342 CG2 VAL B 2 15.121 -0.522 -0.355 1.00 0.00 C ATOM 0 H VAL B 2 12.775 -0.079 -0.719 1.00 0.00 H new ATOM 0 HA VAL B 2 13.469 -0.313 2.155 1.00 0.00 H new ATOM 0 HB VAL B 2 14.910 1.524 0.280 1.00 0.00 H new ATOM 0 HG11 VAL B 2 16.858 0.526 1.458 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.654 1.137 2.618 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.770 -0.608 2.292 1.00 0.00 H new ATOM 0 HG21 VAL B 2 16.127 -0.376 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL B 2 15.042 -1.518 0.081 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.398 -0.422 -1.164 1.00 0.00 H new ATOM 352 N ASN B 3 12.804 2.609 0.735 1.00 0.00 N ATOM 353 CA ASN B 3 12.253 3.962 1.036 1.00 0.00 C ATOM 354 C ASN B 3 12.183 4.767 -0.261 1.00 0.00 C ATOM 355 O ASN B 3 12.673 5.876 -0.346 1.00 0.00 O ATOM 356 CB ASN B 3 13.161 4.690 2.040 1.00 0.00 C ATOM 357 CG ASN B 3 14.522 3.990 2.133 1.00 0.00 C ATOM 358 OD1 ASN B 3 14.683 3.049 2.884 1.00 0.00 O ATOM 359 ND2 ASN B 3 15.511 4.411 1.393 1.00 0.00 N ATOM 0 H ASN B 3 13.137 2.481 -0.220 1.00 0.00 H new ATOM 0 HA ASN B 3 11.258 3.860 1.469 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.298 5.726 1.731 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.687 4.710 3.021 1.00 0.00 H new ATOM 0 HD21 ASN B 3 16.419 3.950 1.445 1.00 0.00 H new ATOM 0 HD22 ASN B 3 15.376 5.201 0.762 1.00 0.00 H new ATOM 366 N GLN B 4 11.589 4.206 -1.279 1.00 0.00 N ATOM 367 CA GLN B 4 11.493 4.925 -2.581 1.00 0.00 C ATOM 368 C GLN B 4 10.095 5.523 -2.757 1.00 0.00 C ATOM 369 O GLN B 4 9.291 5.547 -1.841 1.00 0.00 O ATOM 370 CB GLN B 4 11.768 3.942 -3.720 1.00 0.00 C ATOM 371 CG GLN B 4 12.486 4.667 -4.860 1.00 0.00 C ATOM 372 CD GLN B 4 13.669 3.822 -5.335 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.531 2.638 -5.569 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.837 4.385 -5.486 1.00 0.00 N ATOM 0 H GLN B 4 11.165 3.278 -1.265 1.00 0.00 H new ATOM 0 HA GLN B 4 12.227 5.731 -2.596 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.379 3.114 -3.360 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.832 3.515 -4.079 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.796 4.843 -5.685 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.835 5.643 -4.522 1.00 0.00 H new ATOM 0 HE21 GLN B 4 14.953 5.379 -5.290 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.633 3.831 -5.800 1.00 0.00 H new ATOM 383 N HIS B 5 9.804 6.000 -3.937 1.00 0.00 N ATOM 384 CA HIS B 5 8.466 6.594 -4.202 1.00 0.00 C ATOM 385 C HIS B 5 7.586 5.558 -4.907 1.00 0.00 C ATOM 386 O HIS B 5 7.963 4.995 -5.915 1.00 0.00 O ATOM 387 CB HIS B 5 8.624 7.818 -5.107 1.00 0.00 C ATOM 388 CG HIS B 5 9.009 9.013 -4.280 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.279 10.092 -3.866 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 10.291 9.171 -3.797 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 9.094 10.922 -3.126 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 10.302 10.323 -3.112 1.00 0.00 N flip ATOM 0 H HIS B 5 10.442 6.003 -4.733 1.00 0.00 H new ATOM 0 HA HIS B 5 8.005 6.892 -3.260 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.385 7.627 -5.864 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.691 8.015 -5.635 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.293 10.256 -4.071 1.00 0.00 H new ATOM 0 HD2 HIS B 5 11.123 8.498 -3.942 1.00 0.00 H new ATOM 0 HE1 HIS B 5 8.822 11.856 -2.656 1.00 0.00 H new ATOM 400 N LEU B 6 6.417 5.305 -4.390 1.00 0.00 N ATOM 401 CA LEU B 6 5.513 4.312 -5.033 1.00 0.00 C ATOM 402 C LEU B 6 4.447 5.063 -5.834 1.00 0.00 C ATOM 403 O LEU B 6 3.608 5.742 -5.277 1.00 0.00 O ATOM 404 CB LEU B 6 4.860 3.454 -3.948 1.00 0.00 C ATOM 405 CG LEU B 6 5.925 3.009 -2.943 1.00 0.00 C ATOM 406 CD1 LEU B 6 5.260 2.263 -1.785 1.00 0.00 C ATOM 407 CD2 LEU B 6 6.922 2.081 -3.641 1.00 0.00 C ATOM 0 H LEU B 6 6.047 5.745 -3.547 1.00 0.00 H new ATOM 0 HA LEU B 6 6.075 3.663 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.080 4.021 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.381 2.584 -4.396 1.00 0.00 H new ATOM 0 HG LEU B 6 6.447 3.884 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.021 1.947 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.548 2.922 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.737 1.387 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU B 6 7.682 1.762 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU B 6 6.397 1.207 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU B 6 7.398 2.612 -4.465 1.00 0.00 H new ATOM 419 N CYS B 7 4.481 4.967 -7.140 1.00 0.00 N ATOM 420 CA CYS B 7 3.473 5.704 -7.955 1.00 0.00 C ATOM 421 C CYS B 7 2.782 4.764 -8.951 1.00 0.00 C ATOM 422 O CYS B 7 3.419 4.136 -9.772 1.00 0.00 O ATOM 423 CB CYS B 7 4.172 6.822 -8.736 1.00 0.00 C ATOM 424 SG CYS B 7 4.117 8.366 -7.790 1.00 0.00 S ATOM 0 H CYS B 7 5.156 4.416 -7.670 1.00 0.00 H new ATOM 0 HA CYS B 7 2.723 6.119 -7.281 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.207 6.545 -8.936 1.00 0.00 H new ATOM 0 HB3 CYS B 7 3.687 6.960 -9.702 1.00 0.00 H new ATOM 429 N GLY B 8 1.476 4.696 -8.892 1.00 0.00 N ATOM 430 CA GLY B 8 0.697 3.834 -9.837 1.00 0.00 C ATOM 431 C GLY B 8 1.472 2.564 -10.202 1.00 0.00 C ATOM 432 O GLY B 8 1.658 1.685 -9.385 1.00 0.00 O ATOM 0 H GLY B 8 0.907 5.209 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.256 3.563 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY B 8 0.470 4.397 -10.743 1.00 0.00 H new ATOM 436 N SER B 9 1.903 2.463 -11.437 1.00 0.00 N ATOM 437 CA SER B 9 2.652 1.251 -11.891 1.00 0.00 C ATOM 438 C SER B 9 3.547 0.737 -10.765 1.00 0.00 C ATOM 439 O SER B 9 3.298 -0.303 -10.189 1.00 0.00 O ATOM 440 CB SER B 9 3.515 1.612 -13.102 1.00 0.00 C ATOM 441 OG SER B 9 3.982 2.948 -12.965 1.00 0.00 O ATOM 0 H SER B 9 1.766 3.175 -12.155 1.00 0.00 H new ATOM 0 HA SER B 9 1.940 0.472 -12.165 1.00 0.00 H new ATOM 0 HB2 SER B 9 4.358 0.926 -13.179 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.936 1.509 -14.019 1.00 0.00 H new ATOM 0 HG SER B 9 4.537 3.182 -13.738 1.00 0.00 H new ATOM 447 N ASP B 10 4.578 1.460 -10.437 1.00 0.00 N ATOM 448 CA ASP B 10 5.474 1.015 -9.338 1.00 0.00 C ATOM 449 C ASP B 10 4.619 0.657 -8.131 1.00 0.00 C ATOM 450 O ASP B 10 4.829 -0.341 -7.474 1.00 0.00 O ATOM 451 CB ASP B 10 6.419 2.154 -8.964 1.00 0.00 C ATOM 452 CG ASP B 10 7.254 2.544 -10.186 1.00 0.00 C ATOM 453 OD1 ASP B 10 6.705 3.165 -11.081 1.00 0.00 O ATOM 454 OD2 ASP B 10 8.427 2.212 -10.208 1.00 0.00 O ATOM 0 H ASP B 10 4.839 2.340 -10.882 1.00 0.00 H new ATOM 0 HA ASP B 10 6.056 0.150 -9.657 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.849 3.013 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP B 10 7.072 1.846 -8.147 1.00 0.00 H new ATOM 459 N LEU B 11 3.649 1.471 -7.841 1.00 0.00 N ATOM 460 CA LEU B 11 2.763 1.192 -6.685 1.00 0.00 C ATOM 461 C LEU B 11 2.278 -0.252 -6.779 1.00 0.00 C ATOM 462 O LEU B 11 2.400 -1.023 -5.849 1.00 0.00 O ATOM 463 CB LEU B 11 1.569 2.143 -6.757 1.00 0.00 C ATOM 464 CG LEU B 11 0.888 2.336 -5.391 1.00 0.00 C ATOM 465 CD1 LEU B 11 1.900 2.308 -4.244 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.200 3.695 -5.394 1.00 0.00 C ATOM 0 H LEU B 11 3.431 2.323 -8.358 1.00 0.00 H new ATOM 0 HA LEU B 11 3.294 1.336 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.901 3.110 -7.134 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.842 1.755 -7.471 1.00 0.00 H new ATOM 0 HG LEU B 11 0.179 1.522 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.380 2.448 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.415 1.348 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.627 3.109 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.291 3.856 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.941 4.477 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.542 3.725 -6.191 1.00 0.00 H new ATOM 478 N ALA B 12 1.743 -0.624 -7.908 1.00 0.00 N ATOM 479 CA ALA B 12 1.264 -2.020 -8.077 1.00 0.00 C ATOM 480 C ALA B 12 2.473 -2.933 -8.260 1.00 0.00 C ATOM 481 O ALA B 12 2.639 -3.895 -7.547 1.00 0.00 O ATOM 482 CB ALA B 12 0.360 -2.114 -9.308 1.00 0.00 C ATOM 0 H ALA B 12 1.618 -0.020 -8.720 1.00 0.00 H new ATOM 0 HA ALA B 12 0.696 -2.324 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA B 12 0.012 -3.140 -9.426 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -0.497 -1.453 -9.181 1.00 0.00 H new ATOM 0 HB3 ALA B 12 0.920 -1.816 -10.194 1.00 0.00 H new ATOM 488 N GLU B 13 3.328 -2.631 -9.203 1.00 0.00 N ATOM 489 CA GLU B 13 4.528 -3.488 -9.409 1.00 0.00 C ATOM 490 C GLU B 13 5.226 -3.687 -8.068 1.00 0.00 C ATOM 491 O GLU B 13 5.819 -4.716 -7.812 1.00 0.00 O ATOM 492 CB GLU B 13 5.486 -2.812 -10.392 1.00 0.00 C ATOM 493 CG GLU B 13 5.301 -3.419 -11.784 1.00 0.00 C ATOM 494 CD GLU B 13 6.423 -2.939 -12.706 1.00 0.00 C ATOM 495 OE1 GLU B 13 7.292 -2.228 -12.230 1.00 0.00 O ATOM 496 OE2 GLU B 13 6.396 -3.294 -13.873 1.00 0.00 O ATOM 0 H GLU B 13 3.246 -1.834 -9.834 1.00 0.00 H new ATOM 0 HA GLU B 13 4.226 -4.452 -9.817 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.295 -1.739 -10.423 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.516 -2.943 -10.061 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.309 -4.507 -11.721 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.332 -3.130 -12.192 1.00 0.00 H new ATOM 503 N ALA B 14 5.147 -2.718 -7.198 1.00 0.00 N ATOM 504 CA ALA B 14 5.793 -2.874 -5.870 1.00 0.00 C ATOM 505 C ALA B 14 4.959 -3.848 -5.045 1.00 0.00 C ATOM 506 O ALA B 14 5.458 -4.833 -4.541 1.00 0.00 O ATOM 507 CB ALA B 14 5.857 -1.520 -5.163 1.00 0.00 C ATOM 0 H ALA B 14 4.666 -1.832 -7.350 1.00 0.00 H new ATOM 0 HA ALA B 14 6.808 -3.254 -5.988 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.332 -1.640 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA B 14 6.437 -0.822 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.847 -1.131 -5.029 1.00 0.00 H new ATOM 513 N LEU B 15 3.683 -3.596 -4.925 1.00 0.00 N ATOM 514 CA LEU B 15 2.819 -4.527 -4.151 1.00 0.00 C ATOM 515 C LEU B 15 2.754 -5.862 -4.899 1.00 0.00 C ATOM 516 O LEU B 15 2.474 -6.899 -4.330 1.00 0.00 O ATOM 517 CB LEU B 15 1.409 -3.943 -4.036 1.00 0.00 C ATOM 518 CG LEU B 15 1.428 -2.742 -3.093 1.00 0.00 C ATOM 519 CD1 LEU B 15 0.160 -1.911 -3.296 1.00 0.00 C ATOM 520 CD2 LEU B 15 1.487 -3.235 -1.647 1.00 0.00 C ATOM 0 H LEU B 15 3.206 -2.790 -5.328 1.00 0.00 H new ATOM 0 HA LEU B 15 3.229 -4.672 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.048 -3.641 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.720 -4.701 -3.663 1.00 0.00 H new ATOM 0 HG LEU B 15 2.302 -2.126 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.175 -1.054 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.116 -1.561 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.715 -2.525 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.501 -2.380 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.612 -3.850 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.390 -3.827 -1.501 1.00 0.00 H new ATOM 532 N TYR B 16 3.017 -5.832 -6.178 1.00 0.00 N ATOM 533 CA TYR B 16 2.983 -7.078 -6.995 1.00 0.00 C ATOM 534 C TYR B 16 4.199 -7.931 -6.660 1.00 0.00 C ATOM 535 O TYR B 16 4.200 -9.135 -6.828 1.00 0.00 O ATOM 536 CB TYR B 16 3.046 -6.708 -8.480 1.00 0.00 C ATOM 537 CG TYR B 16 1.908 -7.360 -9.220 1.00 0.00 C ATOM 538 CD1 TYR B 16 1.884 -8.751 -9.386 1.00 0.00 C ATOM 539 CD2 TYR B 16 0.878 -6.571 -9.740 1.00 0.00 C ATOM 540 CE1 TYR B 16 0.822 -9.353 -10.077 1.00 0.00 C ATOM 541 CE2 TYR B 16 -0.183 -7.171 -10.430 1.00 0.00 C ATOM 542 CZ TYR B 16 -0.212 -8.561 -10.598 1.00 0.00 C ATOM 543 OH TYR B 16 -1.258 -9.153 -11.276 1.00 0.00 O ATOM 0 H TYR B 16 3.257 -4.987 -6.697 1.00 0.00 H new ATOM 0 HA TYR B 16 2.066 -7.628 -6.781 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.994 -5.625 -8.596 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.998 -7.029 -8.903 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.681 -9.358 -8.983 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.900 -5.499 -9.610 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.800 -10.425 -10.208 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.979 -6.562 -10.832 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.889 -8.463 -11.570 1.00 0.00 H new ATOM 553 N LEU B 17 5.249 -7.306 -6.213 1.00 0.00 N ATOM 554 CA LEU B 17 6.482 -8.049 -5.897 1.00 0.00 C ATOM 555 C LEU B 17 6.585 -8.259 -4.379 1.00 0.00 C ATOM 556 O LEU B 17 7.488 -8.905 -3.889 1.00 0.00 O ATOM 557 CB LEU B 17 7.647 -7.222 -6.413 1.00 0.00 C ATOM 558 CG LEU B 17 8.962 -7.936 -6.160 1.00 0.00 C ATOM 559 CD1 LEU B 17 8.798 -9.455 -6.321 1.00 0.00 C ATOM 560 CD2 LEU B 17 9.976 -7.440 -7.180 1.00 0.00 C ATOM 0 H LEU B 17 5.299 -6.300 -6.053 1.00 0.00 H new ATOM 0 HA LEU B 17 6.485 -9.033 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.526 -7.039 -7.481 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.655 -6.249 -5.922 1.00 0.00 H new ATOM 0 HG LEU B 17 9.293 -7.728 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.753 -9.946 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.058 -9.819 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.466 -9.680 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.931 -7.940 -7.017 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.618 -7.660 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.107 -6.364 -7.069 1.00 0.00 H new ATOM 572 N VAL B 18 5.652 -7.730 -3.633 1.00 0.00 N ATOM 573 CA VAL B 18 5.682 -7.919 -2.155 1.00 0.00 C ATOM 574 C VAL B 18 4.614 -8.938 -1.782 1.00 0.00 C ATOM 575 O VAL B 18 4.763 -9.709 -0.854 1.00 0.00 O ATOM 576 CB VAL B 18 5.387 -6.590 -1.455 1.00 0.00 C ATOM 577 CG1 VAL B 18 6.155 -5.479 -2.150 1.00 0.00 C ATOM 578 CG2 VAL B 18 3.889 -6.275 -1.521 1.00 0.00 C ATOM 0 H VAL B 18 4.871 -7.176 -3.984 1.00 0.00 H new ATOM 0 HA VAL B 18 6.666 -8.270 -1.843 1.00 0.00 H new ATOM 0 HB VAL B 18 5.691 -6.665 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.949 -4.530 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.223 -5.689 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.845 -5.420 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.694 -5.327 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.578 -6.205 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.328 -7.069 -1.028 1.00 0.00 H new ATOM 588 N CYS B 19 3.533 -8.944 -2.507 1.00 0.00 N ATOM 589 CA CYS B 19 2.448 -9.907 -2.210 1.00 0.00 C ATOM 590 C CYS B 19 2.414 -10.968 -3.314 1.00 0.00 C ATOM 591 O CYS B 19 2.216 -12.138 -3.061 1.00 0.00 O ATOM 592 CB CYS B 19 1.111 -9.162 -2.145 1.00 0.00 C ATOM 593 SG CYS B 19 0.537 -9.114 -0.428 1.00 0.00 S ATOM 0 H CYS B 19 3.357 -8.320 -3.294 1.00 0.00 H new ATOM 0 HA CYS B 19 2.625 -10.392 -1.250 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.227 -8.149 -2.531 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.373 -9.660 -2.774 1.00 0.00 H new ATOM 598 N GLY B 20 2.628 -10.561 -4.537 1.00 0.00 N ATOM 599 CA GLY B 20 2.634 -11.534 -5.669 1.00 0.00 C ATOM 600 C GLY B 20 1.355 -12.375 -5.660 1.00 0.00 C ATOM 601 O GLY B 20 1.181 -13.246 -4.832 1.00 0.00 O ATOM 0 H GLY B 20 2.800 -9.591 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.718 -11.000 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.505 -12.185 -5.592 1.00 0.00 H new ATOM 605 N GLU B 21 0.470 -12.122 -6.589 1.00 0.00 N ATOM 606 CA GLU B 21 -0.803 -12.901 -6.668 1.00 0.00 C ATOM 607 C GLU B 21 -1.323 -13.215 -5.263 1.00 0.00 C ATOM 608 O GLU B 21 -1.992 -14.205 -5.046 1.00 0.00 O ATOM 609 CB GLU B 21 -0.559 -14.206 -7.424 1.00 0.00 C ATOM 610 CG GLU B 21 0.495 -15.037 -6.690 1.00 0.00 C ATOM 611 CD GLU B 21 0.405 -16.494 -7.146 1.00 0.00 C ATOM 612 OE1 GLU B 21 -0.090 -16.723 -8.237 1.00 0.00 O ATOM 613 OE2 GLU B 21 0.831 -17.356 -6.396 1.00 0.00 O ATOM 0 H GLU B 21 0.576 -11.402 -7.304 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.548 -12.305 -7.195 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.488 -14.770 -7.506 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.225 -13.992 -8.439 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.491 -14.642 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.340 -14.972 -5.613 1.00 0.00 H new ATOM 620 N ARG B 22 -1.027 -12.380 -4.310 1.00 0.00 N ATOM 621 CA ARG B 22 -1.507 -12.628 -2.925 1.00 0.00 C ATOM 622 C ARG B 22 -2.770 -11.802 -2.677 1.00 0.00 C ATOM 623 O ARG B 22 -3.462 -11.984 -1.696 1.00 0.00 O ATOM 624 CB ARG B 22 -0.416 -12.226 -1.933 1.00 0.00 C ATOM 625 CG ARG B 22 0.464 -13.438 -1.624 1.00 0.00 C ATOM 626 CD ARG B 22 -0.413 -14.587 -1.133 1.00 0.00 C ATOM 627 NE ARG B 22 0.267 -15.294 -0.012 1.00 0.00 N ATOM 628 CZ ARG B 22 0.101 -14.884 1.217 1.00 0.00 C ATOM 629 NH1 ARG B 22 0.138 -13.609 1.492 1.00 0.00 N ATOM 630 NH2 ARG B 22 -0.105 -15.751 2.171 1.00 0.00 N ATOM 0 H ARG B 22 -0.471 -11.533 -4.431 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.737 -13.685 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.189 -11.420 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.866 -11.846 -1.016 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.013 -13.740 -2.516 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.204 -13.181 -0.866 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.379 -14.205 -0.802 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.608 -15.283 -1.949 1.00 0.00 H new ATOM 0 HE ARG B 22 0.863 -16.099 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.297 -12.931 0.747 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.008 -13.290 2.452 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.136 -16.748 1.956 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.235 -15.432 3.131 1.00 0.00 H new ATOM 644 N GLY B 23 -3.077 -10.896 -3.566 1.00 0.00 N ATOM 645 CA GLY B 23 -4.299 -10.063 -3.391 1.00 0.00 C ATOM 646 C GLY B 23 -3.943 -8.766 -2.663 1.00 0.00 C ATOM 647 O GLY B 23 -4.228 -8.604 -1.493 1.00 0.00 O ATOM 0 H GLY B 23 -2.533 -10.698 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.738 -9.837 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.048 -10.615 -2.824 1.00 0.00 H new ATOM 651 N PHE B 24 -3.327 -7.836 -3.342 1.00 0.00 N ATOM 652 CA PHE B 24 -2.967 -6.554 -2.673 1.00 0.00 C ATOM 653 C PHE B 24 -3.887 -5.443 -3.176 1.00 0.00 C ATOM 654 O PHE B 24 -3.937 -5.148 -4.353 1.00 0.00 O ATOM 655 CB PHE B 24 -1.511 -6.191 -2.981 1.00 0.00 C ATOM 656 CG PHE B 24 -1.326 -6.013 -4.469 1.00 0.00 C ATOM 657 CD1 PHE B 24 -1.058 -7.124 -5.280 1.00 0.00 C ATOM 658 CD2 PHE B 24 -1.409 -4.735 -5.035 1.00 0.00 C ATOM 659 CE1 PHE B 24 -0.875 -6.956 -6.659 1.00 0.00 C ATOM 660 CE2 PHE B 24 -1.222 -4.566 -6.413 1.00 0.00 C ATOM 661 CZ PHE B 24 -0.955 -5.676 -7.226 1.00 0.00 C ATOM 0 H PHE B 24 -3.059 -7.908 -4.324 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.084 -6.668 -1.595 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.239 -5.273 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.847 -6.974 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.993 -8.109 -4.842 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.617 -3.880 -4.409 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.672 -7.812 -7.285 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.284 -3.580 -6.849 1.00 0.00 H new ATOM 0 HZ PHE B 24 -0.811 -5.546 -8.288 1.00 0.00 H new ATOM 671 N PHE B 25 -4.623 -4.830 -2.290 1.00 0.00 N ATOM 672 CA PHE B 25 -5.546 -3.744 -2.715 1.00 0.00 C ATOM 673 C PHE B 25 -4.912 -2.382 -2.425 1.00 0.00 C ATOM 674 O PHE B 25 -4.369 -2.153 -1.363 1.00 0.00 O ATOM 675 CB PHE B 25 -6.863 -3.867 -1.946 1.00 0.00 C ATOM 676 CG PHE B 25 -6.594 -3.743 -0.464 1.00 0.00 C ATOM 677 CD1 PHE B 25 -6.250 -4.876 0.286 1.00 0.00 C ATOM 678 CD2 PHE B 25 -6.684 -2.492 0.159 1.00 0.00 C ATOM 679 CE1 PHE B 25 -5.997 -4.756 1.659 1.00 0.00 C ATOM 680 CE2 PHE B 25 -6.431 -2.371 1.531 1.00 0.00 C ATOM 681 CZ PHE B 25 -6.088 -3.503 2.281 1.00 0.00 C ATOM 0 H PHE B 25 -4.624 -5.035 -1.291 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.737 -3.831 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.558 -3.091 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.335 -4.826 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.180 -5.841 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.949 -1.619 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.732 -5.628 2.238 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -6.500 -1.406 2.010 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.893 -3.411 3.339 1.00 0.00 H new ATOM 691 N TYR B 26 -4.979 -1.472 -3.360 1.00 0.00 N ATOM 692 CA TYR B 26 -4.382 -0.127 -3.130 1.00 0.00 C ATOM 693 C TYR B 26 -5.470 0.943 -3.263 1.00 0.00 C ATOM 694 O TYR B 26 -5.195 2.086 -3.569 1.00 0.00 O ATOM 695 CB TYR B 26 -3.272 0.120 -4.161 1.00 0.00 C ATOM 696 CG TYR B 26 -3.873 0.567 -5.474 1.00 0.00 C ATOM 697 CD1 TYR B 26 -4.605 -0.337 -6.255 1.00 0.00 C ATOM 698 CD2 TYR B 26 -3.705 1.889 -5.906 1.00 0.00 C ATOM 699 CE1 TYR B 26 -5.169 0.081 -7.467 1.00 0.00 C ATOM 700 CE2 TYR B 26 -4.267 2.308 -7.119 1.00 0.00 C ATOM 701 CZ TYR B 26 -5.000 1.403 -7.900 1.00 0.00 C ATOM 702 OH TYR B 26 -5.556 1.816 -9.094 1.00 0.00 O ATOM 0 H TYR B 26 -5.420 -1.603 -4.270 1.00 0.00 H new ATOM 0 HA TYR B 26 -3.956 -0.079 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -2.583 0.879 -3.790 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -2.693 -0.791 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.734 -1.356 -5.922 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.142 2.586 -5.303 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.734 -0.616 -8.068 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.136 3.327 -7.452 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.345 2.761 -9.244 1.00 0.00 H new ATOM 712 N THR B 27 -6.703 0.579 -3.044 1.00 0.00 N ATOM 713 CA THR B 27 -7.804 1.574 -3.167 1.00 0.00 C ATOM 714 C THR B 27 -7.580 2.720 -2.179 1.00 0.00 C ATOM 715 O THR B 27 -6.474 2.979 -1.749 1.00 0.00 O ATOM 716 CB THR B 27 -9.142 0.898 -2.864 1.00 0.00 C ATOM 717 OG1 THR B 27 -10.201 1.795 -3.166 1.00 0.00 O ATOM 718 CG2 THR B 27 -9.198 0.522 -1.383 1.00 0.00 C ATOM 0 H THR B 27 -6.995 -0.363 -2.785 1.00 0.00 H new ATOM 0 HA THR B 27 -7.816 1.970 -4.183 1.00 0.00 H new ATOM 0 HB THR B 27 -9.243 -0.002 -3.471 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.060 1.364 -2.974 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.151 0.040 -1.166 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.383 -0.164 -1.151 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.099 1.421 -0.775 1.00 0.00 H new ATOM 726 N LYS B 28 -8.627 3.408 -1.818 1.00 0.00 N ATOM 727 CA LYS B 28 -8.487 4.540 -0.862 1.00 0.00 C ATOM 728 C LYS B 28 -9.331 4.263 0.386 1.00 0.00 C ATOM 729 O LYS B 28 -10.233 3.451 0.355 1.00 0.00 O ATOM 730 CB LYS B 28 -8.977 5.829 -1.529 1.00 0.00 C ATOM 731 CG LYS B 28 -8.003 6.246 -2.633 1.00 0.00 C ATOM 732 CD LYS B 28 -8.112 7.753 -2.861 1.00 0.00 C ATOM 733 CE LYS B 28 -9.492 8.082 -3.431 1.00 0.00 C ATOM 734 NZ LYS B 28 -9.747 7.241 -4.636 1.00 0.00 N ATOM 0 H LYS B 28 -9.577 3.234 -2.146 1.00 0.00 H new ATOM 0 HA LYS B 28 -7.441 4.648 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.972 5.677 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.062 6.623 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -6.983 5.982 -2.353 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.229 5.710 -3.555 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.957 8.286 -1.923 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.334 8.085 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.260 7.901 -2.679 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.546 9.138 -3.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.460 7.702 -5.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.864 7.126 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.096 6.307 -4.340 1.00 0.00 H new ATOM 748 N PRO B 29 -9.012 4.954 1.451 1.00 0.00 N ATOM 749 CA PRO B 29 -9.725 4.812 2.730 1.00 0.00 C ATOM 750 C PRO B 29 -11.063 5.555 2.676 1.00 0.00 C ATOM 751 O PRO B 29 -11.387 6.199 1.698 1.00 0.00 O ATOM 752 CB PRO B 29 -8.777 5.459 3.744 1.00 0.00 C ATOM 753 CG PRO B 29 -7.867 6.417 2.941 1.00 0.00 C ATOM 754 CD PRO B 29 -7.912 5.943 1.477 1.00 0.00 C ATOM 0 HA PRO B 29 -9.962 3.778 2.980 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.336 6.002 4.506 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -8.185 4.703 4.260 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -8.217 7.446 3.026 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -6.847 6.395 3.324 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.105 6.772 0.796 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -6.966 5.495 1.174 1.00 0.00 H new ATOM 762 N THR B 30 -11.841 5.470 3.720 1.00 0.00 N ATOM 763 CA THR B 30 -13.156 6.172 3.728 1.00 0.00 C ATOM 764 C THR B 30 -13.655 6.302 5.169 1.00 0.00 C ATOM 765 O THR B 30 -12.842 6.181 6.069 1.00 0.00 O ATOM 766 CB THR B 30 -14.167 5.368 2.904 1.00 0.00 C ATOM 767 OG1 THR B 30 -13.861 3.984 3.003 1.00 0.00 O ATOM 768 CG2 THR B 30 -14.098 5.805 1.440 1.00 0.00 C ATOM 769 OXT THR B 30 -14.843 6.518 5.346 1.00 0.00 O ATOM 0 H THR B 30 -11.623 4.945 4.567 1.00 0.00 H new ATOM 0 HA THR B 30 -13.043 7.165 3.294 1.00 0.00 H new ATOM 0 HB THR B 30 -15.172 5.547 3.286 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.508 3.468 2.478 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.818 5.232 0.855 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.333 6.867 1.366 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.094 5.628 1.054 1.00 0.00 H new TER 777 THR B 30