USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 364 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 3 ASN : amide:sc= -6.02! C(o=-5.4!,f=-12!) USER MOD Set 1.2: B 5 HIS : no HD1:sc= 0.618 K(o=-5.4,f=-9.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.701 K(o=-0.7,f=-1.5!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.666! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.346 K(o=-0.35,f=-2!) USER MOD Single : A 18 ASN : amide:sc= -0.328 K(o=-0.33,f=-3.8!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0451 X(o=-0.045,f=-0.24) USER MOD Single : B 1 PHE N :NH3+ 151:sc= 0.778 (180deg=0.216) USER MOD Single : B 4 GLN :FLIP amide:sc= -3.85! C(o=-5.8!,f=-3.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 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= -0.0475 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 50:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.196 6.290 -1.628 1.00 0.00 N ATOM 2 CA GLY A 1 -15.137 5.115 -1.370 1.00 0.00 C ATOM 3 C GLY A 1 -14.594 3.853 -0.790 1.00 0.00 C ATOM 4 O GLY A 1 -15.007 2.767 -1.148 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.734 7.084 -2.031 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.759 6.588 -0.733 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.454 6.000 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.925 5.468 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.610 4.861 -2.318 1.00 0.00 H new ATOM 10 N GLY A 2 -13.661 3.959 0.116 1.00 0.00 N ATOM 11 CA GLY A 2 -13.078 2.734 0.735 1.00 0.00 C ATOM 12 C GLY A 2 -11.668 3.042 1.242 1.00 0.00 C ATOM 13 O GLY A 2 -11.281 2.633 2.318 1.00 0.00 O ATOM 0 H GLY A 2 -13.277 4.841 0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.706 2.395 1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.045 1.925 0.005 1.00 0.00 H new ATOM 17 N GLY A 3 -10.898 3.766 0.475 1.00 0.00 N ATOM 18 CA GLY A 3 -9.514 4.103 0.913 1.00 0.00 C ATOM 19 C GLY A 3 -8.687 2.821 1.038 1.00 0.00 C ATOM 20 O GLY A 3 -9.217 1.729 1.065 1.00 0.00 O ATOM 0 H GLY A 3 -11.168 4.138 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.049 4.779 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.542 4.624 1.870 1.00 0.00 H new ATOM 24 N GLU A 4 -7.391 2.948 1.119 1.00 0.00 N ATOM 25 CA GLU A 4 -6.528 1.743 1.249 1.00 0.00 C ATOM 26 C GLU A 4 -5.509 1.979 2.362 1.00 0.00 C ATOM 27 O GLU A 4 -5.747 2.738 3.281 1.00 0.00 O ATOM 28 CB GLU A 4 -5.795 1.492 -0.070 1.00 0.00 C ATOM 29 CG GLU A 4 -5.616 -0.014 -0.277 1.00 0.00 C ATOM 30 CD GLU A 4 -6.299 -0.435 -1.580 1.00 0.00 C ATOM 31 OE1 GLU A 4 -6.413 0.399 -2.462 1.00 0.00 O ATOM 32 OE2 GLU A 4 -6.696 -1.585 -1.673 1.00 0.00 O ATOM 0 H GLU A 4 -6.892 3.838 1.101 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.142 0.875 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.360 1.919 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.823 1.986 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.556 -0.263 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.044 -0.561 0.563 1.00 0.00 H new ATOM 39 N GLN A 5 -4.377 1.336 2.293 1.00 0.00 N ATOM 40 CA GLN A 5 -3.354 1.531 3.359 1.00 0.00 C ATOM 41 C GLN A 5 -1.945 1.535 2.753 1.00 0.00 C ATOM 42 O GLN A 5 -0.961 1.636 3.459 1.00 0.00 O ATOM 43 CB GLN A 5 -3.468 0.396 4.377 1.00 0.00 C ATOM 44 CG GLN A 5 -2.802 0.815 5.689 1.00 0.00 C ATOM 45 CD GLN A 5 -3.414 2.130 6.176 1.00 0.00 C ATOM 46 OE1 GLN A 5 -2.900 3.194 5.895 1.00 0.00 O ATOM 47 NE2 GLN A 5 -4.500 2.102 6.899 1.00 0.00 N ATOM 0 H GLN A 5 -4.116 0.688 1.550 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.528 2.489 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.516 0.154 4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.993 -0.504 3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.937 0.038 6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.728 0.934 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.932 1.209 7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.917 2.973 7.228 1.00 0.00 H new ATOM 56 N CYS A 6 -1.831 1.425 1.455 1.00 0.00 N ATOM 57 CA CYS A 6 -0.475 1.424 0.831 1.00 0.00 C ATOM 58 C CYS A 6 -0.462 2.325 -0.409 1.00 0.00 C ATOM 59 O CYS A 6 0.562 2.516 -1.033 1.00 0.00 O ATOM 60 CB CYS A 6 -0.102 -0.002 0.424 1.00 0.00 C ATOM 61 SG CYS A 6 0.578 -0.880 1.853 1.00 0.00 S ATOM 0 H CYS A 6 -2.612 1.336 0.805 1.00 0.00 H new ATOM 0 HA CYS A 6 0.247 1.803 1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.981 -0.525 0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.628 0.019 -0.385 1.00 0.00 H new ATOM 66 N CYS A 7 -1.587 2.877 -0.778 1.00 0.00 N ATOM 67 CA CYS A 7 -1.623 3.753 -1.981 1.00 0.00 C ATOM 68 C CYS A 7 -1.015 5.120 -1.651 1.00 0.00 C ATOM 69 O CYS A 7 0.088 5.433 -2.054 1.00 0.00 O ATOM 70 CB CYS A 7 -3.073 3.934 -2.433 1.00 0.00 C ATOM 71 SG CYS A 7 -3.100 4.786 -4.029 1.00 0.00 S ATOM 0 H CYS A 7 -2.480 2.759 -0.299 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.045 3.290 -2.780 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.563 2.964 -2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.628 4.509 -1.692 1.00 0.00 H new ATOM 76 N THR A 8 -1.728 5.941 -0.926 1.00 0.00 N ATOM 77 CA THR A 8 -1.190 7.287 -0.579 1.00 0.00 C ATOM 78 C THR A 8 -0.166 7.155 0.551 1.00 0.00 C ATOM 79 O THR A 8 0.757 7.937 0.658 1.00 0.00 O ATOM 80 CB THR A 8 -2.340 8.192 -0.127 1.00 0.00 C ATOM 81 OG1 THR A 8 -1.813 9.433 0.322 1.00 0.00 O ATOM 82 CG2 THR A 8 -3.104 7.517 1.014 1.00 0.00 C ATOM 0 H THR A 8 -2.658 5.737 -0.560 1.00 0.00 H new ATOM 0 HA THR A 8 -0.706 7.722 -1.453 1.00 0.00 H new ATOM 0 HB THR A 8 -3.018 8.365 -0.962 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.547 10.015 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.922 8.161 1.335 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.506 6.564 0.669 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.428 7.344 1.852 1.00 0.00 H new ATOM 90 N SER A 9 -0.321 6.172 1.394 1.00 0.00 N ATOM 91 CA SER A 9 0.644 5.991 2.516 1.00 0.00 C ATOM 92 C SER A 9 1.680 4.933 2.134 1.00 0.00 C ATOM 93 O SER A 9 1.539 4.241 1.146 1.00 0.00 O ATOM 94 CB SER A 9 -0.109 5.538 3.766 1.00 0.00 C ATOM 95 OG SER A 9 0.602 5.962 4.922 1.00 0.00 O ATOM 0 H SER A 9 -1.074 5.486 1.355 1.00 0.00 H new ATOM 0 HA SER A 9 1.148 6.936 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.115 5.957 3.770 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.215 4.453 3.768 1.00 0.00 H new ATOM 0 HG SER A 9 0.121 5.675 5.726 1.00 0.00 H new ATOM 101 N ILE A 10 2.722 4.805 2.909 1.00 0.00 N ATOM 102 CA ILE A 10 3.768 3.792 2.588 1.00 0.00 C ATOM 103 C ILE A 10 3.588 2.570 3.490 1.00 0.00 C ATOM 104 O ILE A 10 2.784 2.569 4.401 1.00 0.00 O ATOM 105 CB ILE A 10 5.160 4.392 2.812 1.00 0.00 C ATOM 106 CG1 ILE A 10 5.106 5.914 2.641 1.00 0.00 C ATOM 107 CG2 ILE A 10 6.132 3.804 1.788 1.00 0.00 C ATOM 108 CD1 ILE A 10 6.521 6.489 2.739 1.00 0.00 C ATOM 0 H ILE A 10 2.895 5.357 3.749 1.00 0.00 H new ATOM 0 HA ILE A 10 3.670 3.494 1.544 1.00 0.00 H new ATOM 0 HB ILE A 10 5.496 4.156 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.665 6.167 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.469 6.354 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.124 4.228 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.177 2.722 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.789 4.043 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.483 7.572 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.945 6.248 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.144 6.058 1.956 1.00 0.00 H new ATOM 120 N CYS A 11 4.329 1.525 3.240 1.00 0.00 N ATOM 121 CA CYS A 11 4.201 0.299 4.079 1.00 0.00 C ATOM 122 C CYS A 11 5.378 -0.637 3.797 1.00 0.00 C ATOM 123 O CYS A 11 6.340 -0.265 3.154 1.00 0.00 O ATOM 124 CB CYS A 11 2.885 -0.418 3.754 1.00 0.00 C ATOM 125 SG CYS A 11 2.473 -0.195 2.004 1.00 0.00 S ATOM 0 H CYS A 11 5.018 1.467 2.490 1.00 0.00 H new ATOM 0 HA CYS A 11 4.204 0.581 5.132 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.974 -1.480 3.983 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.083 -0.024 4.378 1.00 0.00 H new ATOM 130 N SER A 12 5.309 -1.850 4.272 1.00 0.00 N ATOM 131 CA SER A 12 6.420 -2.808 4.030 1.00 0.00 C ATOM 132 C SER A 12 5.838 -4.196 3.797 1.00 0.00 C ATOM 133 O SER A 12 4.638 -4.396 3.838 1.00 0.00 O ATOM 134 CB SER A 12 7.346 -2.849 5.242 1.00 0.00 C ATOM 135 OG SER A 12 8.147 -4.022 5.182 1.00 0.00 O ATOM 0 H SER A 12 4.530 -2.218 4.818 1.00 0.00 H new ATOM 0 HA SER A 12 6.988 -2.489 3.156 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.980 -1.962 5.260 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.761 -2.841 6.162 1.00 0.00 H new ATOM 0 HG SER A 12 8.744 -4.050 5.958 1.00 0.00 H new ATOM 141 N LEU A 13 6.679 -5.156 3.557 1.00 0.00 N ATOM 142 CA LEU A 13 6.177 -6.536 3.316 1.00 0.00 C ATOM 143 C LEU A 13 5.317 -6.978 4.493 1.00 0.00 C ATOM 144 O LEU A 13 4.525 -7.893 4.388 1.00 0.00 O ATOM 145 CB LEU A 13 7.357 -7.493 3.147 1.00 0.00 C ATOM 146 CG LEU A 13 8.334 -6.921 2.120 1.00 0.00 C ATOM 147 CD1 LEU A 13 9.539 -6.315 2.844 1.00 0.00 C ATOM 148 CD2 LEU A 13 8.809 -8.042 1.192 1.00 0.00 C ATOM 0 H LEU A 13 7.692 -5.048 3.517 1.00 0.00 H new ATOM 0 HA LEU A 13 5.576 -6.548 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.861 -7.638 4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.002 -8.471 2.822 1.00 0.00 H new ATOM 0 HG LEU A 13 7.836 -6.148 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.236 -5.907 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.202 -5.518 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.038 -7.087 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.506 -7.636 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.308 -8.813 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.952 -8.476 0.677 1.00 0.00 H new ATOM 160 N TYR A 14 5.458 -6.328 5.606 1.00 0.00 N ATOM 161 CA TYR A 14 4.642 -6.698 6.789 1.00 0.00 C ATOM 162 C TYR A 14 3.208 -6.257 6.555 1.00 0.00 C ATOM 163 O TYR A 14 2.291 -7.055 6.530 1.00 0.00 O ATOM 164 CB TYR A 14 5.199 -5.992 8.015 1.00 0.00 C ATOM 165 CG TYR A 14 6.208 -6.889 8.689 1.00 0.00 C ATOM 166 CD1 TYR A 14 7.324 -7.346 7.976 1.00 0.00 C ATOM 167 CD2 TYR A 14 6.028 -7.266 10.025 1.00 0.00 C ATOM 168 CE1 TYR A 14 8.261 -8.179 8.601 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.964 -8.100 10.650 1.00 0.00 C ATOM 170 CZ TYR A 14 8.081 -8.556 9.938 1.00 0.00 C ATOM 171 OH TYR A 14 9.004 -9.378 10.553 1.00 0.00 O ATOM 0 H TYR A 14 6.105 -5.553 5.750 1.00 0.00 H new ATOM 0 HA TYR A 14 4.672 -7.776 6.945 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.667 -5.051 7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.393 -5.748 8.706 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.462 -7.056 6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.167 -6.914 10.574 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.122 -8.530 8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.825 -8.391 11.681 1.00 0.00 H new ATOM 0 HH TYR A 14 8.730 -9.542 11.480 1.00 0.00 H new ATOM 181 N GLN A 15 3.010 -4.990 6.366 1.00 0.00 N ATOM 182 CA GLN A 15 1.635 -4.488 6.116 1.00 0.00 C ATOM 183 C GLN A 15 1.043 -5.300 4.969 1.00 0.00 C ATOM 184 O GLN A 15 -0.140 -5.573 4.923 1.00 0.00 O ATOM 185 CB GLN A 15 1.684 -3.006 5.739 1.00 0.00 C ATOM 186 CG GLN A 15 2.505 -2.240 6.779 1.00 0.00 C ATOM 187 CD GLN A 15 1.863 -0.874 7.033 1.00 0.00 C ATOM 188 OE1 GLN A 15 0.659 -0.731 6.946 1.00 0.00 O ATOM 189 NE2 GLN A 15 2.620 0.144 7.345 1.00 0.00 N ATOM 0 H GLN A 15 3.740 -4.277 6.373 1.00 0.00 H new ATOM 0 HA GLN A 15 1.021 -4.594 7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.127 -2.886 4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.674 -2.600 5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.555 -2.808 7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.529 -2.113 6.427 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.630 0.025 7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.201 1.058 7.515 1.00 0.00 H new ATOM 198 N LEU A 16 1.876 -5.706 4.054 1.00 0.00 N ATOM 199 CA LEU A 16 1.396 -6.526 2.910 1.00 0.00 C ATOM 200 C LEU A 16 1.143 -7.948 3.407 1.00 0.00 C ATOM 201 O LEU A 16 0.243 -8.625 2.953 1.00 0.00 O ATOM 202 CB LEU A 16 2.463 -6.550 1.814 1.00 0.00 C ATOM 203 CG LEU A 16 2.869 -5.119 1.461 1.00 0.00 C ATOM 204 CD1 LEU A 16 4.273 -5.124 0.854 1.00 0.00 C ATOM 205 CD2 LEU A 16 1.878 -4.544 0.448 1.00 0.00 C ATOM 0 H LEU A 16 2.876 -5.503 4.050 1.00 0.00 H new ATOM 0 HA LEU A 16 0.478 -6.101 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.333 -7.113 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.079 -7.058 0.930 1.00 0.00 H new ATOM 0 HG LEU A 16 2.864 -4.506 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.564 -4.104 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.980 -5.535 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.277 -5.736 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.167 -3.524 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.883 -5.156 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.877 -4.542 0.879 1.00 0.00 H new ATOM 217 N GLU A 17 1.928 -8.401 4.351 1.00 0.00 N ATOM 218 CA GLU A 17 1.721 -9.773 4.888 1.00 0.00 C ATOM 219 C GLU A 17 0.517 -9.749 5.824 1.00 0.00 C ATOM 220 O GLU A 17 -0.081 -10.763 6.117 1.00 0.00 O ATOM 221 CB GLU A 17 2.966 -10.223 5.655 1.00 0.00 C ATOM 222 CG GLU A 17 3.692 -11.309 4.857 1.00 0.00 C ATOM 223 CD GLU A 17 2.874 -12.601 4.893 1.00 0.00 C ATOM 224 OE1 GLU A 17 1.722 -12.539 5.291 1.00 0.00 O ATOM 225 OE2 GLU A 17 3.413 -13.631 4.521 1.00 0.00 O ATOM 0 H GLU A 17 2.699 -7.880 4.769 1.00 0.00 H new ATOM 0 HA GLU A 17 1.544 -10.471 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.630 -9.375 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.684 -10.605 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.834 -10.984 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.683 -11.482 5.276 1.00 0.00 H new ATOM 232 N ASN A 18 0.152 -8.584 6.285 1.00 0.00 N ATOM 233 CA ASN A 18 -1.021 -8.477 7.191 1.00 0.00 C ATOM 234 C ASN A 18 -2.301 -8.540 6.354 1.00 0.00 C ATOM 235 O ASN A 18 -3.399 -8.508 6.875 1.00 0.00 O ATOM 236 CB ASN A 18 -0.967 -7.145 7.943 1.00 0.00 C ATOM 237 CG ASN A 18 -1.092 -7.398 9.446 1.00 0.00 C ATOM 238 OD1 ASN A 18 -1.011 -8.524 9.894 1.00 0.00 O ATOM 239 ND2 ASN A 18 -1.287 -6.390 10.252 1.00 0.00 N ATOM 0 H ASN A 18 0.618 -7.702 6.072 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.008 -9.296 7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.030 -6.632 7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.772 -6.493 7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.371 -6.549 11.256 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.355 -5.444 9.878 1.00 0.00 H new ATOM 246 N TYR A 19 -2.168 -8.623 5.056 1.00 0.00 N ATOM 247 CA TYR A 19 -3.371 -8.682 4.181 1.00 0.00 C ATOM 248 C TYR A 19 -3.709 -10.139 3.864 1.00 0.00 C ATOM 249 O TYR A 19 -4.819 -10.461 3.493 1.00 0.00 O ATOM 250 CB TYR A 19 -3.085 -7.934 2.876 1.00 0.00 C ATOM 251 CG TYR A 19 -3.503 -6.489 3.014 1.00 0.00 C ATOM 252 CD1 TYR A 19 -2.999 -5.710 4.064 1.00 0.00 C ATOM 253 CD2 TYR A 19 -4.394 -5.927 2.090 1.00 0.00 C ATOM 254 CE1 TYR A 19 -3.385 -4.369 4.189 1.00 0.00 C ATOM 255 CE2 TYR A 19 -4.780 -4.587 2.215 1.00 0.00 C ATOM 256 CZ TYR A 19 -4.275 -3.807 3.265 1.00 0.00 C ATOM 257 OH TYR A 19 -4.656 -2.487 3.387 1.00 0.00 O ATOM 0 H TYR A 19 -1.274 -8.652 4.565 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.214 -8.219 4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.023 -7.994 2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.624 -8.401 2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.313 -6.143 4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.783 -6.528 1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.996 -3.768 4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.467 -4.154 1.503 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.276 -2.257 2.664 1.00 0.00 H new ATOM 267 N CYS A 20 -2.759 -11.022 3.999 1.00 0.00 N ATOM 268 CA CYS A 20 -3.035 -12.455 3.695 1.00 0.00 C ATOM 269 C CYS A 20 -3.461 -13.186 4.966 1.00 0.00 C ATOM 270 O CYS A 20 -3.653 -12.589 6.007 1.00 0.00 O ATOM 271 CB CYS A 20 -1.778 -13.127 3.131 1.00 0.00 C ATOM 272 SG CYS A 20 -0.829 -11.939 2.148 1.00 0.00 S ATOM 0 H CYS A 20 -1.808 -10.816 4.305 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.836 -12.504 2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.164 -13.510 3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.058 -13.981 2.514 1.00 0.00 H new ATOM 277 N ASN A 21 -3.610 -14.478 4.883 1.00 0.00 N ATOM 278 CA ASN A 21 -4.024 -15.263 6.078 1.00 0.00 C ATOM 279 C ASN A 21 -3.196 -16.550 6.149 1.00 0.00 C ATOM 280 O ASN A 21 -2.257 -16.585 6.927 1.00 0.00 O ATOM 281 CB ASN A 21 -5.511 -15.609 5.964 1.00 0.00 C ATOM 282 CG ASN A 21 -5.861 -16.725 6.953 1.00 0.00 C ATOM 283 OD1 ASN A 21 -6.026 -17.865 6.565 1.00 0.00 O ATOM 284 ND2 ASN A 21 -5.981 -16.443 8.221 1.00 0.00 N ATOM 285 OXT ASN A 21 -3.515 -17.478 5.424 1.00 0.00 O ATOM 0 H ASN A 21 -3.462 -15.026 4.036 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.858 -14.677 6.982 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.116 -14.726 6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.743 -15.926 4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.213 -17.179 8.887 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.842 -15.486 8.546 1.00 0.00 H new TER 292 ASN A 21 ATOM 293 N PHE B 1 10.503 -2.044 2.540 1.00 0.00 N ATOM 294 CA PHE B 1 11.596 -1.268 1.891 1.00 0.00 C ATOM 295 C PHE B 1 11.341 0.230 2.076 1.00 0.00 C ATOM 296 O PHE B 1 10.483 0.636 2.835 1.00 0.00 O ATOM 297 CB PHE B 1 11.635 -1.594 0.396 1.00 0.00 C ATOM 298 CG PHE B 1 11.595 -3.089 0.199 1.00 0.00 C ATOM 299 CD1 PHE B 1 12.673 -3.880 0.614 1.00 0.00 C ATOM 300 CD2 PHE B 1 10.480 -3.685 -0.404 1.00 0.00 C ATOM 301 CE1 PHE B 1 12.637 -5.267 0.428 1.00 0.00 C ATOM 302 CE2 PHE B 1 10.443 -5.073 -0.590 1.00 0.00 C ATOM 303 CZ PHE B 1 11.521 -5.864 -0.174 1.00 0.00 C ATOM 0 H1 PHE B 1 10.377 -2.948 2.042 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.750 -2.227 3.534 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.618 -1.499 2.498 1.00 0.00 H new ATOM 0 HA PHE B 1 12.549 -1.534 2.348 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.789 -1.128 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.540 -1.183 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.533 -3.420 1.078 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.649 -3.075 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.469 -5.877 0.748 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.583 -5.533 -1.054 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.492 -6.934 -0.317 1.00 0.00 H new ATOM 315 N VAL B 2 12.080 1.053 1.382 1.00 0.00 N ATOM 316 CA VAL B 2 11.888 2.527 1.507 1.00 0.00 C ATOM 317 C VAL B 2 10.690 2.957 0.659 1.00 0.00 C ATOM 318 O VAL B 2 9.772 2.192 0.440 1.00 0.00 O ATOM 319 CB VAL B 2 13.176 3.239 1.053 1.00 0.00 C ATOM 320 CG1 VAL B 2 13.175 3.459 -0.463 1.00 0.00 C ATOM 321 CG2 VAL B 2 13.291 4.590 1.767 1.00 0.00 C ATOM 0 H VAL B 2 12.811 0.767 0.731 1.00 0.00 H new ATOM 0 HA VAL B 2 11.686 2.799 2.543 1.00 0.00 H new ATOM 0 HB VAL B 2 14.028 2.609 1.309 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.095 3.963 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.110 2.496 -0.970 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.319 4.074 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.202 5.095 1.446 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.428 5.207 1.519 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.325 4.430 2.845 1.00 0.00 H new ATOM 331 N ASN B 3 10.698 4.179 0.205 1.00 0.00 N ATOM 332 CA ASN B 3 9.570 4.708 -0.627 1.00 0.00 C ATOM 333 C ASN B 3 8.935 3.579 -1.447 1.00 0.00 C ATOM 334 O ASN B 3 9.562 2.993 -2.307 1.00 0.00 O ATOM 335 CB ASN B 3 10.098 5.789 -1.574 1.00 0.00 C ATOM 336 CG ASN B 3 10.906 5.142 -2.703 1.00 0.00 C ATOM 337 OD1 ASN B 3 11.955 4.578 -2.470 1.00 0.00 O ATOM 338 ND2 ASN B 3 10.458 5.201 -3.926 1.00 0.00 N ATOM 0 H ASN B 3 11.449 4.848 0.376 1.00 0.00 H new ATOM 0 HA ASN B 3 8.814 5.132 0.034 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.267 6.358 -1.990 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.723 6.493 -1.024 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.989 4.774 -4.685 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.577 5.675 -4.124 1.00 0.00 H new ATOM 345 N GLN B 4 7.697 3.268 -1.179 1.00 0.00 N ATOM 346 CA GLN B 4 7.020 2.177 -1.936 1.00 0.00 C ATOM 347 C GLN B 4 5.520 2.467 -2.018 1.00 0.00 C ATOM 348 O GLN B 4 4.755 2.078 -1.157 1.00 0.00 O ATOM 349 CB GLN B 4 7.238 0.844 -1.217 1.00 0.00 C ATOM 350 CG GLN B 4 7.973 -0.124 -2.146 1.00 0.00 C ATOM 351 CD GLN B 4 7.153 -1.406 -2.304 1.00 0.00 C ATOM 352 OE1 GLN B 4 6.439 -1.581 -3.383 1.00 0.00 O flip ATOM 353 NE2 GLN B 4 7.161 -2.259 -1.438 1.00 0.00 N flip ATOM 0 H GLN B 4 7.124 3.722 -0.468 1.00 0.00 H new ATOM 0 HA GLN B 4 7.437 2.122 -2.941 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.816 1.000 -0.306 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.280 0.420 -0.917 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.132 0.340 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.957 -0.357 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.718 -2.124 -0.594 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.611 -3.110 -1.555 1.00 0.00 H new ATOM 362 N HIS B 5 5.094 3.147 -3.044 1.00 0.00 N ATOM 363 CA HIS B 5 3.641 3.457 -3.176 1.00 0.00 C ATOM 364 C HIS B 5 3.034 2.565 -4.260 1.00 0.00 C ATOM 365 O HIS B 5 3.549 2.465 -5.356 1.00 0.00 O ATOM 366 CB HIS B 5 3.440 4.931 -3.563 1.00 0.00 C ATOM 367 CG HIS B 5 4.739 5.685 -3.459 1.00 0.00 C ATOM 368 ND1 HIS B 5 5.778 5.448 -4.334 1.00 0.00 N ATOM 369 CD2 HIS B 5 5.150 6.657 -2.589 1.00 0.00 C ATOM 370 CE1 HIS B 5 6.776 6.269 -3.977 1.00 0.00 C ATOM 371 NE2 HIS B 5 6.438 7.028 -2.914 1.00 0.00 N ATOM 0 H HIS B 5 5.685 3.501 -3.796 1.00 0.00 H new ATOM 0 HA HIS B 5 3.151 3.273 -2.220 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.055 4.997 -4.581 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.695 5.386 -2.910 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.563 7.067 -1.781 1.00 0.00 H new ATOM 0 HE1 HIS B 5 7.732 6.317 -4.478 1.00 0.00 H new ATOM 0 HE2 HIS B 5 7.014 7.729 -2.448 1.00 0.00 H new ATOM 379 N LEU B 6 1.942 1.919 -3.963 1.00 0.00 N ATOM 380 CA LEU B 6 1.297 1.036 -4.974 1.00 0.00 C ATOM 381 C LEU B 6 -0.223 1.194 -4.881 1.00 0.00 C ATOM 382 O LEU B 6 -0.766 1.417 -3.818 1.00 0.00 O ATOM 383 CB LEU B 6 1.681 -0.420 -4.700 1.00 0.00 C ATOM 384 CG LEU B 6 3.109 -0.480 -4.154 1.00 0.00 C ATOM 385 CD1 LEU B 6 3.086 -0.300 -2.635 1.00 0.00 C ATOM 386 CD2 LEU B 6 3.727 -1.839 -4.493 1.00 0.00 C ATOM 0 H LEU B 6 1.467 1.964 -3.062 1.00 0.00 H new ATOM 0 HA LEU B 6 1.633 1.314 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.988 -0.861 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.606 -1.005 -5.617 1.00 0.00 H new ATOM 0 HG LEU B 6 3.702 0.316 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.104 -0.343 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.645 0.666 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.492 -1.095 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.744 -1.883 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.131 -2.632 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.746 -1.971 -5.575 1.00 0.00 H new ATOM 398 N CYS B 7 -0.915 1.087 -5.983 1.00 0.00 N ATOM 399 CA CYS B 7 -2.396 1.240 -5.943 1.00 0.00 C ATOM 400 C CYS B 7 -3.040 0.372 -7.026 1.00 0.00 C ATOM 401 O CYS B 7 -2.778 0.533 -8.202 1.00 0.00 O ATOM 402 CB CYS B 7 -2.765 2.705 -6.193 1.00 0.00 C ATOM 403 SG CYS B 7 -1.753 3.775 -5.143 1.00 0.00 S ATOM 0 H CYS B 7 -0.520 0.901 -6.905 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.759 0.927 -4.964 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.609 2.956 -7.242 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.822 2.865 -5.981 1.00 0.00 H new ATOM 408 N GLY B 8 -3.893 -0.537 -6.640 1.00 0.00 N ATOM 409 CA GLY B 8 -4.571 -1.405 -7.646 1.00 0.00 C ATOM 410 C GLY B 8 -3.571 -2.383 -8.266 1.00 0.00 C ATOM 411 O GLY B 8 -2.820 -3.043 -7.577 1.00 0.00 O ATOM 0 H GLY B 8 -4.151 -0.717 -5.670 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.383 -1.957 -7.172 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.018 -0.788 -8.426 1.00 0.00 H new ATOM 415 N SER B 9 -3.573 -2.488 -9.569 1.00 0.00 N ATOM 416 CA SER B 9 -2.642 -3.430 -10.259 1.00 0.00 C ATOM 417 C SER B 9 -1.270 -3.423 -9.577 1.00 0.00 C ATOM 418 O SER B 9 -0.613 -4.440 -9.485 1.00 0.00 O ATOM 419 CB SER B 9 -2.482 -3.004 -11.718 1.00 0.00 C ATOM 420 OG SER B 9 -1.645 -3.938 -12.390 1.00 0.00 O ATOM 0 H SER B 9 -4.184 -1.958 -10.190 1.00 0.00 H new ATOM 0 HA SER B 9 -3.057 -4.437 -10.207 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.456 -2.956 -12.204 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.049 -2.005 -11.772 1.00 0.00 H new ATOM 0 HG SER B 9 -1.541 -3.669 -13.327 1.00 0.00 H new ATOM 426 N ASP B 10 -0.826 -2.290 -9.106 1.00 0.00 N ATOM 427 CA ASP B 10 0.509 -2.239 -8.443 1.00 0.00 C ATOM 428 C ASP B 10 0.394 -2.760 -7.012 1.00 0.00 C ATOM 429 O ASP B 10 1.328 -3.312 -6.462 1.00 0.00 O ATOM 430 CB ASP B 10 1.020 -0.796 -8.419 1.00 0.00 C ATOM 431 CG ASP B 10 2.210 -0.661 -9.369 1.00 0.00 C ATOM 432 OD1 ASP B 10 2.277 -1.426 -10.318 1.00 0.00 O ATOM 433 OD2 ASP B 10 3.037 0.206 -9.132 1.00 0.00 O ATOM 0 H ASP B 10 -1.326 -1.402 -9.151 1.00 0.00 H new ATOM 0 HA ASP B 10 1.208 -2.862 -9.001 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.225 -0.112 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.316 -0.520 -7.407 1.00 0.00 H new ATOM 438 N LEU B 11 -0.743 -2.592 -6.406 1.00 0.00 N ATOM 439 CA LEU B 11 -0.919 -3.077 -5.009 1.00 0.00 C ATOM 440 C LEU B 11 -1.023 -4.599 -5.008 1.00 0.00 C ATOM 441 O LEU B 11 -0.470 -5.269 -4.159 1.00 0.00 O ATOM 442 CB LEU B 11 -2.188 -2.471 -4.406 1.00 0.00 C ATOM 443 CG LEU B 11 -1.805 -1.496 -3.290 1.00 0.00 C ATOM 444 CD1 LEU B 11 -3.072 -0.918 -2.656 1.00 0.00 C ATOM 445 CD2 LEU B 11 -0.997 -2.237 -2.223 1.00 0.00 C ATOM 0 H LEU B 11 -1.560 -2.140 -6.816 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.060 -2.773 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.759 -1.953 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.829 -3.259 -4.011 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.206 -0.686 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.797 -0.224 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.650 -0.391 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.672 -1.727 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.723 -1.544 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.598 -3.046 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.093 -2.649 -2.672 1.00 0.00 H new ATOM 457 N VAL B 12 -1.721 -5.151 -5.954 1.00 0.00 N ATOM 458 CA VAL B 12 -1.849 -6.634 -6.008 1.00 0.00 C ATOM 459 C VAL B 12 -0.512 -7.224 -6.430 1.00 0.00 C ATOM 460 O VAL B 12 -0.147 -8.316 -6.038 1.00 0.00 O ATOM 461 CB VAL B 12 -2.930 -7.034 -7.014 1.00 0.00 C ATOM 462 CG1 VAL B 12 -2.621 -6.405 -8.375 1.00 0.00 C ATOM 463 CG2 VAL B 12 -2.953 -8.558 -7.153 1.00 0.00 C ATOM 0 H VAL B 12 -2.209 -4.644 -6.692 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.131 -7.013 -5.026 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.901 -6.683 -6.664 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.392 -6.690 -9.091 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.600 -5.320 -8.278 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.651 -6.757 -8.726 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.722 -8.846 -7.869 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.982 -8.906 -7.504 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.172 -9.008 -6.185 1.00 0.00 H new ATOM 473 N GLU B 13 0.235 -6.497 -7.205 1.00 0.00 N ATOM 474 CA GLU B 13 1.564 -7.002 -7.628 1.00 0.00 C ATOM 475 C GLU B 13 2.415 -7.170 -6.373 1.00 0.00 C ATOM 476 O GLU B 13 3.255 -8.044 -6.284 1.00 0.00 O ATOM 477 CB GLU B 13 2.223 -5.992 -8.571 1.00 0.00 C ATOM 478 CG GLU B 13 3.413 -6.647 -9.272 1.00 0.00 C ATOM 479 CD GLU B 13 4.714 -6.128 -8.658 1.00 0.00 C ATOM 480 OE1 GLU B 13 4.730 -4.983 -8.233 1.00 0.00 O ATOM 481 OE2 GLU B 13 5.671 -6.882 -8.621 1.00 0.00 O ATOM 0 H GLU B 13 -0.017 -5.576 -7.564 1.00 0.00 H new ATOM 0 HA GLU B 13 1.465 -7.952 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.501 -5.643 -9.309 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.554 -5.118 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.357 -7.731 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.388 -6.425 -10.339 1.00 0.00 H new ATOM 488 N ALA B 14 2.186 -6.337 -5.392 1.00 0.00 N ATOM 489 CA ALA B 14 2.962 -6.440 -4.129 1.00 0.00 C ATOM 490 C ALA B 14 2.253 -7.407 -3.178 1.00 0.00 C ATOM 491 O ALA B 14 2.828 -7.880 -2.219 1.00 0.00 O ATOM 492 CB ALA B 14 3.062 -5.059 -3.479 1.00 0.00 C ATOM 0 H ALA B 14 1.493 -5.589 -5.415 1.00 0.00 H new ATOM 0 HA ALA B 14 3.964 -6.811 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.631 -5.133 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.565 -4.372 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.061 -4.686 -3.261 1.00 0.00 H new ATOM 498 N LEU B 15 1.009 -7.718 -3.440 1.00 0.00 N ATOM 499 CA LEU B 15 0.279 -8.667 -2.550 1.00 0.00 C ATOM 500 C LEU B 15 0.454 -10.078 -3.100 1.00 0.00 C ATOM 501 O LEU B 15 0.543 -11.047 -2.369 1.00 0.00 O ATOM 502 CB LEU B 15 -1.210 -8.308 -2.521 1.00 0.00 C ATOM 503 CG LEU B 15 -1.451 -7.214 -1.478 1.00 0.00 C ATOM 504 CD1 LEU B 15 -2.534 -6.257 -1.979 1.00 0.00 C ATOM 505 CD2 LEU B 15 -1.905 -7.857 -0.165 1.00 0.00 C ATOM 0 H LEU B 15 0.471 -7.357 -4.228 1.00 0.00 H new ATOM 0 HA LEU B 15 0.676 -8.608 -1.537 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.531 -7.965 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.803 -9.191 -2.282 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.528 -6.659 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.704 -5.479 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.211 -5.800 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.459 -6.809 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.077 -7.080 0.580 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.829 -8.411 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.133 -8.538 0.193 1.00 0.00 H new ATOM 517 N TYR B 16 0.519 -10.186 -4.392 1.00 0.00 N ATOM 518 CA TYR B 16 0.702 -11.512 -5.037 1.00 0.00 C ATOM 519 C TYR B 16 2.173 -11.919 -4.916 1.00 0.00 C ATOM 520 O TYR B 16 2.518 -13.081 -4.993 1.00 0.00 O ATOM 521 CB TYR B 16 0.299 -11.393 -6.515 1.00 0.00 C ATOM 522 CG TYR B 16 1.018 -12.437 -7.348 1.00 0.00 C ATOM 523 CD1 TYR B 16 0.861 -13.799 -7.058 1.00 0.00 C ATOM 524 CD2 TYR B 16 1.845 -12.036 -8.405 1.00 0.00 C ATOM 525 CE1 TYR B 16 1.533 -14.760 -7.826 1.00 0.00 C ATOM 526 CE2 TYR B 16 2.518 -12.997 -9.172 1.00 0.00 C ATOM 527 CZ TYR B 16 2.362 -14.358 -8.884 1.00 0.00 C ATOM 528 OH TYR B 16 3.026 -15.304 -9.640 1.00 0.00 O ATOM 0 H TYR B 16 0.452 -9.401 -5.040 1.00 0.00 H new ATOM 0 HA TYR B 16 0.083 -12.269 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -0.779 -11.519 -6.615 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.539 -10.396 -6.884 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.223 -14.108 -6.243 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.964 -10.986 -8.629 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.413 -15.810 -7.603 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.157 -12.687 -9.986 1.00 0.00 H new ATOM 0 HH TYR B 16 3.556 -14.856 -10.332 1.00 0.00 H new ATOM 538 N LEU B 17 3.042 -10.964 -4.733 1.00 0.00 N ATOM 539 CA LEU B 17 4.489 -11.285 -4.613 1.00 0.00 C ATOM 540 C LEU B 17 4.863 -11.436 -3.139 1.00 0.00 C ATOM 541 O LEU B 17 5.855 -12.047 -2.797 1.00 0.00 O ATOM 542 CB LEU B 17 5.304 -10.153 -5.236 1.00 0.00 C ATOM 543 CG LEU B 17 6.789 -10.506 -5.186 1.00 0.00 C ATOM 544 CD1 LEU B 17 7.294 -10.770 -6.604 1.00 0.00 C ATOM 545 CD2 LEU B 17 7.565 -9.338 -4.573 1.00 0.00 C ATOM 0 H LEU B 17 2.810 -9.973 -4.661 1.00 0.00 H new ATOM 0 HA LEU B 17 4.701 -12.220 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.992 -9.992 -6.268 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.123 -9.222 -4.699 1.00 0.00 H new ATOM 0 HG LEU B 17 6.936 -11.398 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.354 -11.022 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.737 -11.599 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.152 -9.877 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.626 -9.586 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.422 -8.446 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.201 -9.149 -3.563 1.00 0.00 H new ATOM 557 N VAL B 18 4.074 -10.881 -2.264 1.00 0.00 N ATOM 558 CA VAL B 18 4.381 -10.985 -0.807 1.00 0.00 C ATOM 559 C VAL B 18 3.958 -12.358 -0.289 1.00 0.00 C ATOM 560 O VAL B 18 4.722 -13.060 0.342 1.00 0.00 O ATOM 561 CB VAL B 18 3.622 -9.892 -0.044 1.00 0.00 C ATOM 562 CG1 VAL B 18 3.582 -10.228 1.450 1.00 0.00 C ATOM 563 CG2 VAL B 18 4.330 -8.550 -0.234 1.00 0.00 C ATOM 0 H VAL B 18 3.228 -10.359 -2.493 1.00 0.00 H new ATOM 0 HA VAL B 18 5.453 -10.857 -0.654 1.00 0.00 H new ATOM 0 HB VAL B 18 2.604 -9.833 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.041 -9.447 1.984 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.077 -11.183 1.595 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.599 -10.294 1.836 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.790 -7.774 0.308 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.348 -8.619 0.148 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.357 -8.300 -1.295 1.00 0.00 H new ATOM 573 N CYS B 19 2.743 -12.738 -0.540 1.00 0.00 N ATOM 574 CA CYS B 19 2.262 -14.061 -0.051 1.00 0.00 C ATOM 575 C CYS B 19 2.179 -15.056 -1.210 1.00 0.00 C ATOM 576 O CYS B 19 2.682 -16.160 -1.126 1.00 0.00 O ATOM 577 CB CYS B 19 0.880 -13.892 0.583 1.00 0.00 C ATOM 578 SG CYS B 19 1.004 -12.777 2.003 1.00 0.00 S ATOM 0 H CYS B 19 2.058 -12.192 -1.063 1.00 0.00 H new ATOM 0 HA CYS B 19 2.963 -14.445 0.690 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.179 -13.491 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.492 -14.860 0.899 1.00 0.00 H new ATOM 583 N GLY B 20 1.545 -14.686 -2.288 1.00 0.00 N ATOM 584 CA GLY B 20 1.433 -15.624 -3.439 1.00 0.00 C ATOM 585 C GLY B 20 0.506 -16.780 -3.061 1.00 0.00 C ATOM 586 O GLY B 20 -0.593 -16.899 -3.567 1.00 0.00 O ATOM 0 H GLY B 20 1.101 -13.777 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.043 -15.101 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.418 -16.006 -3.709 1.00 0.00 H new ATOM 590 N GLU B 21 0.938 -17.631 -2.171 1.00 0.00 N ATOM 591 CA GLU B 21 0.080 -18.776 -1.758 1.00 0.00 C ATOM 592 C GLU B 21 0.062 -18.882 -0.233 1.00 0.00 C ATOM 593 O GLU B 21 1.071 -19.127 0.397 1.00 0.00 O ATOM 594 CB GLU B 21 0.634 -20.071 -2.354 1.00 0.00 C ATOM 595 CG GLU B 21 -0.528 -20.988 -2.740 1.00 0.00 C ATOM 596 CD GLU B 21 0.015 -22.286 -3.337 1.00 0.00 C ATOM 597 OE1 GLU B 21 1.104 -22.254 -3.887 1.00 0.00 O ATOM 598 OE2 GLU B 21 -0.668 -23.292 -3.237 1.00 0.00 O ATOM 0 H GLU B 21 1.848 -17.582 -1.712 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.935 -18.615 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.244 -19.850 -3.230 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.281 -20.569 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -1.138 -21.207 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -1.175 -20.488 -3.461 1.00 0.00 H new ATOM 605 N ARG B 22 -1.083 -18.696 0.362 1.00 0.00 N ATOM 606 CA ARG B 22 -1.184 -18.783 1.846 1.00 0.00 C ATOM 607 C ARG B 22 -2.593 -18.379 2.272 1.00 0.00 C ATOM 608 O ARG B 22 -3.123 -18.862 3.252 1.00 0.00 O ATOM 609 CB ARG B 22 -0.171 -17.831 2.487 1.00 0.00 C ATOM 610 CG ARG B 22 0.608 -18.567 3.580 1.00 0.00 C ATOM 611 CD ARG B 22 1.968 -17.893 3.776 1.00 0.00 C ATOM 612 NE ARG B 22 2.459 -18.155 5.158 1.00 0.00 N ATOM 613 CZ ARG B 22 1.673 -17.952 6.182 1.00 0.00 C ATOM 614 NH1 ARG B 22 1.203 -16.757 6.418 1.00 0.00 N ATOM 615 NH2 ARG B 22 1.360 -18.945 6.968 1.00 0.00 N ATOM 0 H ARG B 22 -1.958 -18.486 -0.118 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.975 -19.803 2.168 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.516 -17.452 1.730 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.686 -16.969 2.911 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.046 -18.555 4.514 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.744 -19.613 3.304 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.683 -18.274 3.047 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.881 -16.820 3.607 1.00 0.00 H new ATOM 0 HE ARG B 22 3.410 -18.493 5.305 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.449 -15.981 5.803 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.589 -16.599 7.217 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.729 -19.878 6.783 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.747 -18.789 7.768 1.00 0.00 H new ATOM 629 N GLY B 23 -3.201 -17.491 1.538 1.00 0.00 N ATOM 630 CA GLY B 23 -4.577 -17.042 1.889 1.00 0.00 C ATOM 631 C GLY B 23 -4.695 -15.536 1.650 1.00 0.00 C ATOM 632 O GLY B 23 -5.328 -14.826 2.406 1.00 0.00 O ATOM 0 H GLY B 23 -2.803 -17.055 0.706 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.311 -17.576 1.285 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.792 -17.274 2.932 1.00 0.00 H new ATOM 636 N PHE B 24 -4.088 -15.042 0.605 1.00 0.00 N ATOM 637 CA PHE B 24 -4.163 -13.582 0.322 1.00 0.00 C ATOM 638 C PHE B 24 -5.446 -13.281 -0.463 1.00 0.00 C ATOM 639 O PHE B 24 -5.807 -13.992 -1.380 1.00 0.00 O ATOM 640 CB PHE B 24 -2.913 -13.164 -0.482 1.00 0.00 C ATOM 641 CG PHE B 24 -3.261 -12.117 -1.521 1.00 0.00 C ATOM 642 CD1 PHE B 24 -3.884 -10.921 -1.135 1.00 0.00 C ATOM 643 CD2 PHE B 24 -2.965 -12.350 -2.869 1.00 0.00 C ATOM 644 CE1 PHE B 24 -4.210 -9.959 -2.101 1.00 0.00 C ATOM 645 CE2 PHE B 24 -3.290 -11.389 -3.834 1.00 0.00 C ATOM 646 CZ PHE B 24 -3.912 -10.192 -3.451 1.00 0.00 C ATOM 0 H PHE B 24 -3.544 -15.587 -0.064 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.189 -13.015 1.252 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.155 -12.771 0.196 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.482 -14.038 -0.971 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.112 -10.742 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.486 -13.271 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.691 -9.038 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.062 -11.570 -4.874 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.161 -9.450 -4.195 1.00 0.00 H new ATOM 656 N PHE B 25 -6.133 -12.226 -0.112 1.00 0.00 N ATOM 657 CA PHE B 25 -7.383 -11.873 -0.839 1.00 0.00 C ATOM 658 C PHE B 25 -7.648 -10.367 -0.708 1.00 0.00 C ATOM 659 O PHE B 25 -7.421 -9.774 0.328 1.00 0.00 O ATOM 660 CB PHE B 25 -8.562 -12.668 -0.251 1.00 0.00 C ATOM 661 CG PHE B 25 -9.094 -11.976 0.988 1.00 0.00 C ATOM 662 CD1 PHE B 25 -8.217 -11.600 2.014 1.00 0.00 C ATOM 663 CD2 PHE B 25 -10.466 -11.706 1.106 1.00 0.00 C ATOM 664 CE1 PHE B 25 -8.711 -10.955 3.157 1.00 0.00 C ATOM 665 CE2 PHE B 25 -10.959 -11.061 2.248 1.00 0.00 C ATOM 666 CZ PHE B 25 -10.081 -10.686 3.274 1.00 0.00 C ATOM 0 H PHE B 25 -5.880 -11.594 0.648 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.274 -12.124 -1.894 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.355 -12.760 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.240 -13.679 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.161 -11.807 1.925 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -11.143 -11.996 0.316 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.035 -10.665 3.948 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -12.015 -10.853 2.338 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.461 -10.190 4.155 1.00 0.00 H new ATOM 676 N TYR B 26 -8.137 -9.750 -1.749 1.00 0.00 N ATOM 677 CA TYR B 26 -8.432 -8.289 -1.683 1.00 0.00 C ATOM 678 C TYR B 26 -9.574 -7.968 -2.651 1.00 0.00 C ATOM 679 O TYR B 26 -9.875 -8.736 -3.541 1.00 0.00 O ATOM 680 CB TYR B 26 -7.175 -7.484 -2.053 1.00 0.00 C ATOM 681 CG TYR B 26 -7.027 -7.394 -3.557 1.00 0.00 C ATOM 682 CD1 TYR B 26 -6.794 -8.551 -4.310 1.00 0.00 C ATOM 683 CD2 TYR B 26 -7.120 -6.149 -4.192 1.00 0.00 C ATOM 684 CE1 TYR B 26 -6.655 -8.463 -5.701 1.00 0.00 C ATOM 685 CE2 TYR B 26 -6.982 -6.061 -5.584 1.00 0.00 C ATOM 686 CZ TYR B 26 -6.748 -7.218 -6.339 1.00 0.00 C ATOM 687 OH TYR B 26 -6.612 -7.132 -7.710 1.00 0.00 O ATOM 0 H TYR B 26 -8.345 -10.194 -2.643 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.729 -8.017 -0.670 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.239 -6.483 -1.627 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.293 -7.958 -1.622 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.722 -9.510 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.298 -5.257 -3.609 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.476 -9.355 -6.283 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.056 -5.102 -6.075 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.704 -6.197 -7.990 1.00 0.00 H new ATOM 697 N THR B 27 -10.216 -6.845 -2.484 1.00 0.00 N ATOM 698 CA THR B 27 -11.337 -6.495 -3.402 1.00 0.00 C ATOM 699 C THR B 27 -10.833 -5.547 -4.491 1.00 0.00 C ATOM 700 O THR B 27 -9.804 -4.915 -4.351 1.00 0.00 O ATOM 701 CB THR B 27 -12.453 -5.813 -2.609 1.00 0.00 C ATOM 702 OG1 THR B 27 -13.524 -5.494 -3.486 1.00 0.00 O ATOM 703 CG2 THR B 27 -11.920 -4.534 -1.966 1.00 0.00 C ATOM 0 H THR B 27 -10.015 -6.158 -1.757 1.00 0.00 H new ATOM 0 HA THR B 27 -11.722 -7.404 -3.864 1.00 0.00 H new ATOM 0 HB THR B 27 -12.808 -6.486 -1.828 1.00 0.00 H new ATOM 0 HG1 THR B 27 -14.242 -5.058 -2.981 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.718 -4.051 -1.402 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.098 -4.780 -1.294 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.564 -3.857 -2.743 1.00 0.00 H new ATOM 711 N LYS B 28 -11.550 -5.441 -5.575 1.00 0.00 N ATOM 712 CA LYS B 28 -11.114 -4.532 -6.672 1.00 0.00 C ATOM 713 C LYS B 28 -12.318 -3.715 -7.158 1.00 0.00 C ATOM 714 O LYS B 28 -13.414 -4.231 -7.253 1.00 0.00 O ATOM 715 CB LYS B 28 -10.559 -5.361 -7.833 1.00 0.00 C ATOM 716 CG LYS B 28 -11.668 -6.251 -8.398 1.00 0.00 C ATOM 717 CD LYS B 28 -11.047 -7.460 -9.103 1.00 0.00 C ATOM 718 CE LYS B 28 -12.149 -8.448 -9.489 1.00 0.00 C ATOM 719 NZ LYS B 28 -11.651 -9.358 -10.560 1.00 0.00 N ATOM 0 H LYS B 28 -12.420 -5.945 -5.749 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.338 -3.860 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.173 -4.703 -8.612 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.725 -5.974 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.326 -6.584 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.282 -5.684 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.506 -7.137 -9.992 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.323 -7.944 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.453 -9.028 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.030 -7.908 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -12.401 -10.029 -10.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.381 -8.798 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.823 -9.882 -10.213 1.00 0.00 H new ATOM 733 N PRO B 29 -12.077 -2.461 -7.449 1.00 0.00 N ATOM 734 CA PRO B 29 -13.127 -1.544 -7.926 1.00 0.00 C ATOM 735 C PRO B 29 -13.400 -1.777 -9.416 1.00 0.00 C ATOM 736 O PRO B 29 -12.920 -2.727 -10.003 1.00 0.00 O ATOM 737 CB PRO B 29 -12.521 -0.157 -7.697 1.00 0.00 C ATOM 738 CG PRO B 29 -10.988 -0.353 -7.646 1.00 0.00 C ATOM 739 CD PRO B 29 -10.742 -1.840 -7.329 1.00 0.00 C ATOM 0 HA PRO B 29 -14.080 -1.679 -7.415 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.799 0.526 -8.500 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.888 0.278 -6.768 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.531 -0.079 -8.597 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.542 0.284 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.032 -2.284 -8.027 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.330 -1.971 -6.328 1.00 0.00 H new ATOM 747 N THR B 30 -14.163 -0.917 -10.032 1.00 0.00 N ATOM 748 CA THR B 30 -14.458 -1.094 -11.481 1.00 0.00 C ATOM 749 C THR B 30 -13.144 -1.140 -12.263 1.00 0.00 C ATOM 750 O THR B 30 -12.597 -2.223 -12.399 1.00 0.00 O ATOM 751 CB THR B 30 -15.309 0.077 -11.977 1.00 0.00 C ATOM 752 OG1 THR B 30 -14.635 1.298 -11.709 1.00 0.00 O ATOM 753 CG2 THR B 30 -16.658 0.066 -11.259 1.00 0.00 C ATOM 754 OXT THR B 30 -12.704 -0.093 -12.707 1.00 0.00 O ATOM 0 H THR B 30 -14.594 -0.102 -9.596 1.00 0.00 H new ATOM 0 HA THR B 30 -15.004 -2.025 -11.631 1.00 0.00 H new ATOM 0 HB THR B 30 -15.471 -0.018 -13.051 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.713 1.241 -12.035 1.00 0.00 H new ATOM 0 HG21 THR B 30 -17.265 0.900 -11.612 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.173 -0.872 -11.467 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.499 0.162 -10.185 1.00 0.00 H new TER 762 THR B 30