USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=11 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: A 5 GLN : amide:sc= -1.88! C(o=-2.3!,f=-7.6!) USER MOD Set 1.2: A 19 TYR OH : rot 180:sc= -0.426 USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0157 (180deg=-0.0157) USER MOD Single : A 8 THR OG1 : rot -34:sc= 0.0561 USER MOD Single : A 9 SER OG : rot 57:sc= -0.128! USER MOD Single : A 12 SER OG : rot 143:sc= -1.41! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -3.12! C(o=-3.1!,f=-5.2!) USER MOD Single : A 18 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.2) USER MOD Single : A 21 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.38) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.556 (180deg=0.0966) USER MOD Single : B 3 ASN : amide:sc= -0.0936 X(o=-0.094,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.469 K(o=-0.47,f=-4.2!) USER MOD Single : B 5 HIS : no HD1:sc= -1.54 X(o=-1.5,f=-1.1) 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 49:sc= 0.00857 USER MOD Single : B 27 THR OG1 : rot -40:sc= 0.187 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -56:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.412 3.924 -5.928 1.00 0.00 N ATOM 2 CA GLY A 1 -12.878 2.492 -5.658 1.00 0.00 C ATOM 3 C GLY A 1 -12.335 1.753 -4.482 1.00 0.00 C ATOM 4 O GLY A 1 -12.743 0.647 -4.190 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.885 4.288 -6.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.651 4.526 -5.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.382 3.932 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.963 2.515 -5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.653 1.902 -6.547 1.00 0.00 H new ATOM 10 N GLY A 2 -11.404 2.339 -3.778 1.00 0.00 N ATOM 11 CA GLY A 2 -10.822 1.650 -2.589 1.00 0.00 C ATOM 12 C GLY A 2 -9.434 1.112 -2.938 1.00 0.00 C ATOM 13 O GLY A 2 -8.930 0.207 -2.303 1.00 0.00 O ATOM 0 H GLY A 2 -11.021 3.264 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.754 2.344 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.472 0.833 -2.275 1.00 0.00 H new ATOM 17 N GLY A 3 -8.811 1.661 -3.944 1.00 0.00 N ATOM 18 CA GLY A 3 -7.455 1.181 -4.334 1.00 0.00 C ATOM 19 C GLY A 3 -6.391 1.990 -3.592 1.00 0.00 C ATOM 20 O GLY A 3 -5.279 2.146 -4.058 1.00 0.00 O ATOM 0 H GLY A 3 -9.182 2.422 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.351 0.122 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.318 1.282 -5.411 1.00 0.00 H new ATOM 24 N GLU A 4 -6.720 2.508 -2.440 1.00 0.00 N ATOM 25 CA GLU A 4 -5.724 3.306 -1.671 1.00 0.00 C ATOM 26 C GLU A 4 -4.795 2.357 -0.909 1.00 0.00 C ATOM 27 O GLU A 4 -4.550 1.244 -1.331 1.00 0.00 O ATOM 28 CB GLU A 4 -6.454 4.220 -0.683 1.00 0.00 C ATOM 29 CG GLU A 4 -7.205 3.369 0.343 1.00 0.00 C ATOM 30 CD GLU A 4 -8.712 3.534 0.136 1.00 0.00 C ATOM 31 OE1 GLU A 4 -9.159 4.667 0.054 1.00 0.00 O ATOM 32 OE2 GLU A 4 -9.394 2.526 0.063 1.00 0.00 O ATOM 0 H GLU A 4 -7.635 2.413 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.136 3.916 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.740 4.871 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.152 4.865 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.925 2.321 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.930 3.672 1.353 1.00 0.00 H new ATOM 39 N GLN A 5 -4.272 2.785 0.207 1.00 0.00 N ATOM 40 CA GLN A 5 -3.358 1.902 0.987 1.00 0.00 C ATOM 41 C GLN A 5 -2.042 1.735 0.224 1.00 0.00 C ATOM 42 O GLN A 5 -2.029 1.383 -0.939 1.00 0.00 O ATOM 43 CB GLN A 5 -4.013 0.532 1.180 1.00 0.00 C ATOM 44 CG GLN A 5 -3.792 0.058 2.617 1.00 0.00 C ATOM 45 CD GLN A 5 -4.602 0.933 3.576 1.00 0.00 C ATOM 46 OE1 GLN A 5 -4.718 2.125 3.378 1.00 0.00 O ATOM 47 NE2 GLN A 5 -5.170 0.385 4.617 1.00 0.00 N ATOM 0 H GLN A 5 -4.437 3.706 0.612 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.161 2.350 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.080 0.594 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.589 -0.187 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.094 -0.985 2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.733 0.109 2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.072 -0.617 4.783 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.711 0.959 5.264 1.00 0.00 H new ATOM 56 N CYS A 6 -0.937 1.995 0.872 1.00 0.00 N ATOM 57 CA CYS A 6 0.392 1.860 0.201 1.00 0.00 C ATOM 58 C CYS A 6 0.525 2.899 -0.917 1.00 0.00 C ATOM 59 O CYS A 6 1.495 2.911 -1.650 1.00 0.00 O ATOM 60 CB CYS A 6 0.539 0.452 -0.385 1.00 0.00 C ATOM 61 SG CYS A 6 1.043 -0.692 0.924 1.00 0.00 S ATOM 0 H CYS A 6 -0.897 2.298 1.845 1.00 0.00 H new ATOM 0 HA CYS A 6 1.177 2.027 0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.405 0.128 -0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.278 0.454 -1.186 1.00 0.00 H new ATOM 66 N CYS A 7 -0.430 3.779 -1.050 1.00 0.00 N ATOM 67 CA CYS A 7 -0.342 4.818 -2.113 1.00 0.00 C ATOM 68 C CYS A 7 -0.075 6.176 -1.466 1.00 0.00 C ATOM 69 O CYS A 7 0.833 6.890 -1.844 1.00 0.00 O ATOM 70 CB CYS A 7 -1.663 4.874 -2.882 1.00 0.00 C ATOM 71 SG CYS A 7 -1.438 5.849 -4.389 1.00 0.00 S ATOM 0 H CYS A 7 -1.267 3.823 -0.468 1.00 0.00 H new ATOM 0 HA CYS A 7 0.468 4.572 -2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.993 3.866 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.440 5.319 -2.260 1.00 0.00 H new ATOM 76 N THR A 8 -0.862 6.538 -0.489 1.00 0.00 N ATOM 77 CA THR A 8 -0.659 7.850 0.187 1.00 0.00 C ATOM 78 C THR A 8 0.485 7.732 1.196 1.00 0.00 C ATOM 79 O THR A 8 1.008 8.719 1.673 1.00 0.00 O ATOM 80 CB THR A 8 -1.945 8.246 0.918 1.00 0.00 C ATOM 81 OG1 THR A 8 -1.780 9.534 1.496 1.00 0.00 O ATOM 82 CG2 THR A 8 -2.242 7.225 2.017 1.00 0.00 C ATOM 0 H THR A 8 -1.637 5.981 -0.130 1.00 0.00 H new ATOM 0 HA THR A 8 -0.411 8.609 -0.555 1.00 0.00 H new ATOM 0 HB THR A 8 -2.775 8.268 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.852 9.644 1.790 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.157 7.507 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.367 6.238 1.572 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.414 7.202 2.726 1.00 0.00 H new ATOM 90 N SER A 9 0.881 6.532 1.526 1.00 0.00 N ATOM 91 CA SER A 9 1.992 6.361 2.505 1.00 0.00 C ATOM 92 C SER A 9 2.962 5.293 1.996 1.00 0.00 C ATOM 93 O SER A 9 2.846 4.810 0.888 1.00 0.00 O ATOM 94 CB SER A 9 1.423 5.927 3.856 1.00 0.00 C ATOM 95 OG SER A 9 2.494 5.686 4.760 1.00 0.00 O ATOM 0 H SER A 9 0.485 5.666 1.161 1.00 0.00 H new ATOM 0 HA SER A 9 2.520 7.308 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.764 6.700 4.252 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.821 5.026 3.738 1.00 0.00 H new ATOM 0 HG SER A 9 3.047 6.492 4.835 1.00 0.00 H new ATOM 101 N ILE A 10 3.917 4.920 2.802 1.00 0.00 N ATOM 102 CA ILE A 10 4.894 3.882 2.370 1.00 0.00 C ATOM 103 C ILE A 10 4.576 2.565 3.079 1.00 0.00 C ATOM 104 O ILE A 10 3.931 2.543 4.109 1.00 0.00 O ATOM 105 CB ILE A 10 6.311 4.331 2.733 1.00 0.00 C ATOM 106 CG1 ILE A 10 6.420 5.848 2.565 1.00 0.00 C ATOM 107 CG2 ILE A 10 7.317 3.645 1.808 1.00 0.00 C ATOM 108 CD1 ILE A 10 5.945 6.240 1.164 1.00 0.00 C ATOM 0 H ILE A 10 4.063 5.289 3.741 1.00 0.00 H new ATOM 0 HA ILE A 10 4.826 3.741 1.291 1.00 0.00 H new ATOM 0 HB ILE A 10 6.525 4.060 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.817 6.353 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.451 6.168 2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.326 3.965 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.238 2.564 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.104 3.916 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.022 7.320 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.567 5.746 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.907 5.933 1.033 1.00 0.00 H new ATOM 120 N CYS A 11 5.019 1.468 2.535 1.00 0.00 N ATOM 121 CA CYS A 11 4.736 0.157 3.180 1.00 0.00 C ATOM 122 C CYS A 11 5.669 -0.908 2.606 1.00 0.00 C ATOM 123 O CYS A 11 6.518 -0.628 1.784 1.00 0.00 O ATOM 124 CB CYS A 11 3.287 -0.242 2.905 1.00 0.00 C ATOM 125 SG CYS A 11 3.028 -0.376 1.118 1.00 0.00 S ATOM 0 H CYS A 11 5.564 1.422 1.674 1.00 0.00 H new ATOM 0 HA CYS A 11 4.896 0.241 4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.062 -1.193 3.388 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.608 0.499 3.327 1.00 0.00 H new ATOM 130 N SER A 12 5.514 -2.131 3.032 1.00 0.00 N ATOM 131 CA SER A 12 6.388 -3.218 2.512 1.00 0.00 C ATOM 132 C SER A 12 5.672 -4.558 2.669 1.00 0.00 C ATOM 133 O SER A 12 4.508 -4.612 3.020 1.00 0.00 O ATOM 134 CB SER A 12 7.697 -3.241 3.296 1.00 0.00 C ATOM 135 OG SER A 12 8.409 -4.428 2.983 1.00 0.00 O ATOM 0 H SER A 12 4.819 -2.424 3.718 1.00 0.00 H new ATOM 0 HA SER A 12 6.604 -3.041 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.298 -2.366 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.494 -3.196 4.366 1.00 0.00 H new ATOM 0 HG SER A 12 9.370 -4.236 2.957 1.00 0.00 H new ATOM 141 N LEU A 13 6.354 -5.646 2.418 1.00 0.00 N ATOM 142 CA LEU A 13 5.688 -6.975 2.555 1.00 0.00 C ATOM 143 C LEU A 13 5.219 -7.190 3.993 1.00 0.00 C ATOM 144 O LEU A 13 4.484 -8.113 4.283 1.00 0.00 O ATOM 145 CB LEU A 13 6.611 -8.128 2.108 1.00 0.00 C ATOM 146 CG LEU A 13 8.043 -8.015 2.668 1.00 0.00 C ATOM 147 CD1 LEU A 13 8.940 -7.312 1.651 1.00 0.00 C ATOM 148 CD2 LEU A 13 8.074 -7.245 3.993 1.00 0.00 C ATOM 0 H LEU A 13 7.331 -5.672 2.128 1.00 0.00 H new ATOM 0 HA LEU A 13 4.820 -6.978 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.177 -9.076 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.655 -8.148 1.019 1.00 0.00 H new ATOM 0 HG LEU A 13 8.408 -9.025 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.951 -7.234 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.959 -7.886 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.551 -6.314 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.100 -7.186 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.686 -6.238 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.458 -7.762 4.729 1.00 0.00 H new ATOM 160 N TYR A 14 5.614 -6.340 4.893 1.00 0.00 N ATOM 161 CA TYR A 14 5.170 -6.488 6.301 1.00 0.00 C ATOM 162 C TYR A 14 3.703 -6.097 6.410 1.00 0.00 C ATOM 163 O TYR A 14 2.865 -6.870 6.831 1.00 0.00 O ATOM 164 CB TYR A 14 5.994 -5.559 7.173 1.00 0.00 C ATOM 165 CG TYR A 14 7.133 -6.331 7.784 1.00 0.00 C ATOM 166 CD1 TYR A 14 8.293 -6.578 7.040 1.00 0.00 C ATOM 167 CD2 TYR A 14 7.024 -6.808 9.093 1.00 0.00 C ATOM 168 CE1 TYR A 14 9.348 -7.302 7.609 1.00 0.00 C ATOM 169 CE2 TYR A 14 8.079 -7.532 9.666 1.00 0.00 C ATOM 170 CZ TYR A 14 9.242 -7.779 8.923 1.00 0.00 C ATOM 171 OH TYR A 14 10.281 -8.493 9.485 1.00 0.00 O ATOM 0 H TYR A 14 6.228 -5.546 4.713 1.00 0.00 H new ATOM 0 HA TYR A 14 5.300 -7.521 6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.379 -4.730 6.579 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.370 -5.128 7.956 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.374 -6.210 6.028 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.127 -6.619 9.663 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.243 -7.493 7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.996 -7.899 10.678 1.00 0.00 H new ATOM 0 HH TYR A 14 10.045 -8.748 10.401 1.00 0.00 H new ATOM 181 N GLN A 15 3.389 -4.897 6.024 1.00 0.00 N ATOM 182 CA GLN A 15 1.975 -4.444 6.092 1.00 0.00 C ATOM 183 C GLN A 15 1.176 -5.267 5.086 1.00 0.00 C ATOM 184 O GLN A 15 0.030 -5.606 5.303 1.00 0.00 O ATOM 185 CB GLN A 15 1.900 -2.930 5.786 1.00 0.00 C ATOM 186 CG GLN A 15 1.178 -2.654 4.458 1.00 0.00 C ATOM 187 CD GLN A 15 -0.334 -2.713 4.677 1.00 0.00 C ATOM 188 OE1 GLN A 15 -0.966 -3.708 4.383 1.00 0.00 O ATOM 189 NE2 GLN A 15 -0.948 -1.678 5.183 1.00 0.00 N ATOM 0 H GLN A 15 4.050 -4.209 5.664 1.00 0.00 H new ATOM 0 HA GLN A 15 1.557 -4.593 7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.379 -2.420 6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.908 -2.517 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.462 -1.674 4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.477 -3.388 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.419 -0.842 5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.957 -1.706 5.331 1.00 0.00 H new ATOM 198 N LEU A 16 1.796 -5.605 3.996 1.00 0.00 N ATOM 199 CA LEU A 16 1.110 -6.426 2.969 1.00 0.00 C ATOM 200 C LEU A 16 0.946 -7.841 3.517 1.00 0.00 C ATOM 201 O LEU A 16 0.122 -8.606 3.056 1.00 0.00 O ATOM 202 CB LEU A 16 1.955 -6.462 1.693 1.00 0.00 C ATOM 203 CG LEU A 16 2.275 -5.032 1.255 1.00 0.00 C ATOM 204 CD1 LEU A 16 3.451 -5.043 0.278 1.00 0.00 C ATOM 205 CD2 LEU A 16 1.047 -4.426 0.570 1.00 0.00 C ATOM 0 H LEU A 16 2.756 -5.346 3.771 1.00 0.00 H new ATOM 0 HA LEU A 16 0.135 -5.999 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.878 -7.015 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.417 -6.985 0.902 1.00 0.00 H new ATOM 0 HG LEU A 16 2.539 -4.436 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.676 -4.023 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.325 -5.475 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.192 -5.639 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.271 -3.406 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.785 -5.025 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.210 -4.415 1.268 1.00 0.00 H new ATOM 217 N GLU A 17 1.719 -8.192 4.513 1.00 0.00 N ATOM 218 CA GLU A 17 1.592 -9.555 5.096 1.00 0.00 C ATOM 219 C GLU A 17 0.375 -9.584 6.016 1.00 0.00 C ATOM 220 O GLU A 17 -0.111 -10.634 6.391 1.00 0.00 O ATOM 221 CB GLU A 17 2.853 -9.895 5.894 1.00 0.00 C ATOM 222 CG GLU A 17 3.679 -10.935 5.133 1.00 0.00 C ATOM 223 CD GLU A 17 2.800 -12.141 4.799 1.00 0.00 C ATOM 224 OE1 GLU A 17 2.010 -12.526 5.645 1.00 0.00 O ATOM 225 OE2 GLU A 17 2.931 -12.659 3.702 1.00 0.00 O ATOM 0 H GLU A 17 2.427 -7.596 4.943 1.00 0.00 H new ATOM 0 HA GLU A 17 1.471 -10.289 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.445 -8.995 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.581 -10.281 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.079 -10.498 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.532 -11.249 5.735 1.00 0.00 H new ATOM 232 N ASN A 18 -0.129 -8.435 6.373 1.00 0.00 N ATOM 233 CA ASN A 18 -1.323 -8.391 7.255 1.00 0.00 C ATOM 234 C ASN A 18 -2.583 -8.545 6.400 1.00 0.00 C ATOM 235 O ASN A 18 -3.688 -8.582 6.905 1.00 0.00 O ATOM 236 CB ASN A 18 -1.365 -7.054 7.992 1.00 0.00 C ATOM 237 CG ASN A 18 -1.930 -7.263 9.397 1.00 0.00 C ATOM 238 OD1 ASN A 18 -2.600 -8.243 9.655 1.00 0.00 O ATOM 239 ND2 ASN A 18 -1.686 -6.378 10.323 1.00 0.00 N ATOM 0 H ASN A 18 0.236 -7.526 6.091 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.272 -9.201 7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.364 -6.628 8.051 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.982 -6.343 7.443 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.058 -6.509 11.264 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.123 -5.555 10.106 1.00 0.00 H new ATOM 246 N TYR A 19 -2.424 -8.637 5.106 1.00 0.00 N ATOM 247 CA TYR A 19 -3.609 -8.792 4.215 1.00 0.00 C ATOM 248 C TYR A 19 -3.757 -10.256 3.823 1.00 0.00 C ATOM 249 O TYR A 19 -4.757 -10.661 3.266 1.00 0.00 O ATOM 250 CB TYR A 19 -3.408 -7.976 2.938 1.00 0.00 C ATOM 251 CG TYR A 19 -3.943 -6.578 3.129 1.00 0.00 C ATOM 252 CD1 TYR A 19 -3.889 -5.968 4.390 1.00 0.00 C ATOM 253 CD2 TYR A 19 -4.491 -5.887 2.040 1.00 0.00 C ATOM 254 CE1 TYR A 19 -4.384 -4.668 4.561 1.00 0.00 C ATOM 255 CE2 TYR A 19 -4.987 -4.589 2.212 1.00 0.00 C ATOM 256 CZ TYR A 19 -4.933 -3.979 3.471 1.00 0.00 C ATOM 257 OH TYR A 19 -5.419 -2.698 3.638 1.00 0.00 O ATOM 0 H TYR A 19 -1.523 -8.611 4.628 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.496 -8.446 4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.349 -7.937 2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.918 -8.459 2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.466 -6.500 5.230 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.531 -6.356 1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.342 -4.197 5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.412 -4.058 1.373 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.763 -2.365 2.783 1.00 0.00 H new ATOM 267 N CYS A 20 -2.757 -11.051 4.075 1.00 0.00 N ATOM 268 CA CYS A 20 -2.847 -12.478 3.673 1.00 0.00 C ATOM 269 C CYS A 20 -2.211 -13.373 4.733 1.00 0.00 C ATOM 270 O CYS A 20 -1.835 -12.928 5.800 1.00 0.00 O ATOM 271 CB CYS A 20 -2.107 -12.670 2.349 1.00 0.00 C ATOM 272 SG CYS A 20 -2.278 -11.183 1.330 1.00 0.00 S ATOM 0 H CYS A 20 -1.890 -10.777 4.537 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.897 -12.750 3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.053 -12.874 2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.509 -13.533 1.819 1.00 0.00 H new ATOM 277 N ASN A 21 -2.086 -14.638 4.438 1.00 0.00 N ATOM 278 CA ASN A 21 -1.472 -15.579 5.417 1.00 0.00 C ATOM 279 C ASN A 21 -0.040 -15.902 4.985 1.00 0.00 C ATOM 280 O ASN A 21 0.348 -15.461 3.916 1.00 0.00 O ATOM 281 CB ASN A 21 -2.292 -16.871 5.470 1.00 0.00 C ATOM 282 CG ASN A 21 -2.268 -17.432 6.893 1.00 0.00 C ATOM 283 OD1 ASN A 21 -1.341 -17.189 7.640 1.00 0.00 O ATOM 284 ND2 ASN A 21 -3.256 -18.179 7.302 1.00 0.00 N ATOM 285 OXT ASN A 21 0.644 -16.582 5.731 1.00 0.00 O ATOM 0 H ASN A 21 -2.383 -15.061 3.559 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.459 -15.117 6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.319 -16.675 5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.884 -17.602 4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.250 -18.559 8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.034 -18.383 6.675 1.00 0.00 H new TER 292 ASN A 21 ATOM 293 N PHE B 1 11.919 -0.872 3.399 1.00 0.00 N ATOM 294 CA PHE B 1 13.188 -0.856 2.617 1.00 0.00 C ATOM 295 C PHE B 1 13.581 0.590 2.308 1.00 0.00 C ATOM 296 O PHE B 1 14.524 1.120 2.862 1.00 0.00 O ATOM 297 CB PHE B 1 12.989 -1.619 1.305 1.00 0.00 C ATOM 298 CG PHE B 1 12.583 -3.045 1.602 1.00 0.00 C ATOM 299 CD1 PHE B 1 13.545 -3.978 2.015 1.00 0.00 C ATOM 300 CD2 PHE B 1 11.246 -3.438 1.456 1.00 0.00 C ATOM 301 CE1 PHE B 1 13.167 -5.300 2.283 1.00 0.00 C ATOM 302 CE2 PHE B 1 10.869 -4.758 1.722 1.00 0.00 C ATOM 303 CZ PHE B 1 11.830 -5.691 2.137 1.00 0.00 C ATOM 0 H1 PHE B 1 11.361 -1.709 3.137 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.138 -0.905 4.415 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.372 -0.012 3.191 1.00 0.00 H new ATOM 0 HA PHE B 1 13.977 -1.331 3.199 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.224 -1.131 0.702 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.910 -1.607 0.722 1.00 0.00 H new ATOM 0 HD1 PHE B 1 14.576 -3.678 2.126 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.505 -2.720 1.137 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.907 -6.018 2.603 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.838 -5.059 1.608 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.539 -6.710 2.344 1.00 0.00 H new ATOM 315 N VAL B 2 12.870 1.231 1.424 1.00 0.00 N ATOM 316 CA VAL B 2 13.207 2.638 1.076 1.00 0.00 C ATOM 317 C VAL B 2 12.004 3.299 0.398 1.00 0.00 C ATOM 318 O VAL B 2 10.881 2.851 0.522 1.00 0.00 O ATOM 319 CB VAL B 2 14.429 2.641 0.150 1.00 0.00 C ATOM 320 CG1 VAL B 2 13.999 2.408 -1.298 1.00 0.00 C ATOM 321 CG2 VAL B 2 15.170 3.976 0.271 1.00 0.00 C ATOM 0 H VAL B 2 12.069 0.841 0.927 1.00 0.00 H new ATOM 0 HA VAL B 2 13.445 3.205 1.976 1.00 0.00 H new ATOM 0 HB VAL B 2 15.098 1.834 0.448 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.877 2.413 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.495 1.445 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.317 3.200 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL B 2 16.037 3.972 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.502 4.790 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL B 2 15.499 4.118 1.301 1.00 0.00 H new ATOM 331 N ASN B 3 12.237 4.360 -0.311 1.00 0.00 N ATOM 332 CA ASN B 3 11.119 5.066 -1.000 1.00 0.00 C ATOM 333 C ASN B 3 10.317 4.071 -1.840 1.00 0.00 C ATOM 334 O ASN B 3 10.841 3.420 -2.721 1.00 0.00 O ATOM 335 CB ASN B 3 11.687 6.153 -1.914 1.00 0.00 C ATOM 336 CG ASN B 3 11.367 7.530 -1.332 1.00 0.00 C ATOM 337 OD1 ASN B 3 12.258 8.310 -1.061 1.00 0.00 O ATOM 338 ND2 ASN B 3 10.122 7.865 -1.125 1.00 0.00 N ATOM 0 H ASN B 3 13.159 4.775 -0.447 1.00 0.00 H new ATOM 0 HA ASN B 3 10.467 5.518 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.765 6.031 -2.015 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.261 6.061 -2.913 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.898 8.781 -0.736 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.373 7.211 -1.352 1.00 0.00 H new ATOM 345 N GLN B 4 9.045 3.959 -1.579 1.00 0.00 N ATOM 346 CA GLN B 4 8.195 3.021 -2.362 1.00 0.00 C ATOM 347 C GLN B 4 6.818 3.653 -2.566 1.00 0.00 C ATOM 348 O GLN B 4 6.416 4.532 -1.828 1.00 0.00 O ATOM 349 CB GLN B 4 8.047 1.701 -1.603 1.00 0.00 C ATOM 350 CG GLN B 4 8.959 0.643 -2.231 1.00 0.00 C ATOM 351 CD GLN B 4 9.698 -0.112 -1.125 1.00 0.00 C ATOM 352 OE1 GLN B 4 10.895 0.027 -0.972 1.00 0.00 O ATOM 353 NE2 GLN B 4 9.029 -0.911 -0.342 1.00 0.00 N ATOM 0 H GLN B 4 8.555 4.480 -0.852 1.00 0.00 H new ATOM 0 HA GLN B 4 8.659 2.824 -3.329 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.306 1.842 -0.554 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.010 1.366 -1.634 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.370 -0.052 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.674 1.116 -2.904 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.024 -1.028 -0.471 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.511 -1.420 0.399 1.00 0.00 H new ATOM 362 N HIS B 5 6.091 3.225 -3.560 1.00 0.00 N ATOM 363 CA HIS B 5 4.746 3.819 -3.799 1.00 0.00 C ATOM 364 C HIS B 5 3.946 2.936 -4.760 1.00 0.00 C ATOM 365 O HIS B 5 4.231 2.870 -5.939 1.00 0.00 O ATOM 366 CB HIS B 5 4.910 5.213 -4.410 1.00 0.00 C ATOM 367 CG HIS B 5 4.346 6.245 -3.472 1.00 0.00 C ATOM 368 ND1 HIS B 5 3.899 7.464 -3.931 1.00 0.00 N ATOM 369 CD2 HIS B 5 4.165 6.225 -2.116 1.00 0.00 C ATOM 370 CE1 HIS B 5 3.465 8.143 -2.858 1.00 0.00 C ATOM 371 NE2 HIS B 5 3.608 7.424 -1.726 1.00 0.00 N ATOM 0 H HIS B 5 6.368 2.493 -4.214 1.00 0.00 H new ATOM 0 HA HIS B 5 4.213 3.890 -2.851 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.964 5.416 -4.599 1.00 0.00 H new ATOM 0 HB3 HIS B 5 4.398 5.262 -5.371 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.417 5.405 -1.460 1.00 0.00 H new ATOM 0 HE1 HIS B 5 3.053 9.140 -2.896 1.00 0.00 H new ATOM 0 HE2 HIS B 5 3.357 7.708 -0.779 1.00 0.00 H new ATOM 379 N LEU B 6 2.939 2.267 -4.266 1.00 0.00 N ATOM 380 CA LEU B 6 2.112 1.400 -5.153 1.00 0.00 C ATOM 381 C LEU B 6 0.653 1.851 -5.075 1.00 0.00 C ATOM 382 O LEU B 6 0.169 2.239 -4.032 1.00 0.00 O ATOM 383 CB LEU B 6 2.220 -0.056 -4.696 1.00 0.00 C ATOM 384 CG LEU B 6 3.693 -0.436 -4.570 1.00 0.00 C ATOM 385 CD1 LEU B 6 3.810 -1.828 -3.950 1.00 0.00 C ATOM 386 CD2 LEU B 6 4.336 -0.439 -5.958 1.00 0.00 C ATOM 0 H LEU B 6 2.654 2.284 -3.287 1.00 0.00 H new ATOM 0 HA LEU B 6 2.469 1.482 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.715 -0.187 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.723 -0.712 -5.411 1.00 0.00 H new ATOM 0 HG LEU B 6 4.203 0.287 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.862 -2.099 -3.860 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.350 -1.826 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.301 -2.553 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.388 -0.710 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.826 -1.163 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.253 0.554 -6.400 1.00 0.00 H new ATOM 398 N CYS B 7 -0.049 1.804 -6.172 1.00 0.00 N ATOM 399 CA CYS B 7 -1.477 2.234 -6.158 1.00 0.00 C ATOM 400 C CYS B 7 -2.277 1.417 -7.176 1.00 0.00 C ATOM 401 O CYS B 7 -2.030 1.475 -8.365 1.00 0.00 O ATOM 402 CB CYS B 7 -1.568 3.718 -6.525 1.00 0.00 C ATOM 403 SG CYS B 7 -0.337 4.653 -5.586 1.00 0.00 S ATOM 0 H CYS B 7 0.302 1.488 -7.076 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.887 2.074 -5.161 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.401 3.849 -7.594 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.568 4.095 -6.310 1.00 0.00 H new ATOM 408 N GLY B 8 -3.243 0.665 -6.721 1.00 0.00 N ATOM 409 CA GLY B 8 -4.068 -0.143 -7.665 1.00 0.00 C ATOM 410 C GLY B 8 -3.324 -1.420 -8.063 1.00 0.00 C ATOM 411 O GLY B 8 -2.804 -2.137 -7.233 1.00 0.00 O ATOM 0 H GLY B 8 -3.496 0.575 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.020 -0.399 -7.199 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.296 0.445 -8.554 1.00 0.00 H new ATOM 415 N SER B 9 -3.281 -1.711 -9.334 1.00 0.00 N ATOM 416 CA SER B 9 -2.584 -2.944 -9.800 1.00 0.00 C ATOM 417 C SER B 9 -1.229 -3.082 -9.101 1.00 0.00 C ATOM 418 O SER B 9 -0.984 -4.037 -8.389 1.00 0.00 O ATOM 419 CB SER B 9 -2.369 -2.858 -11.310 1.00 0.00 C ATOM 420 OG SER B 9 -2.256 -4.171 -11.842 1.00 0.00 O ATOM 0 H SER B 9 -3.700 -1.146 -10.073 1.00 0.00 H new ATOM 0 HA SER B 9 -3.196 -3.813 -9.560 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.202 -2.333 -11.779 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.468 -2.285 -11.529 1.00 0.00 H new ATOM 0 HG SER B 9 -2.120 -4.121 -12.811 1.00 0.00 H new ATOM 426 N ASP B 10 -0.344 -2.144 -9.305 1.00 0.00 N ATOM 427 CA ASP B 10 0.999 -2.231 -8.659 1.00 0.00 C ATOM 428 C ASP B 10 0.845 -2.677 -7.205 1.00 0.00 C ATOM 429 O ASP B 10 1.693 -3.357 -6.658 1.00 0.00 O ATOM 430 CB ASP B 10 1.684 -0.862 -8.712 1.00 0.00 C ATOM 431 CG ASP B 10 2.518 -0.754 -9.991 1.00 0.00 C ATOM 432 OD1 ASP B 10 3.126 -1.745 -10.363 1.00 0.00 O ATOM 433 OD2 ASP B 10 2.536 0.316 -10.576 1.00 0.00 O ATOM 0 H ASP B 10 -0.492 -1.322 -9.890 1.00 0.00 H new ATOM 0 HA ASP B 10 1.609 -2.959 -9.193 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.937 -0.069 -8.685 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.321 -0.729 -7.838 1.00 0.00 H new ATOM 438 N LEU B 11 -0.233 -2.307 -6.578 1.00 0.00 N ATOM 439 CA LEU B 11 -0.444 -2.716 -5.162 1.00 0.00 C ATOM 440 C LEU B 11 -0.677 -4.223 -5.107 1.00 0.00 C ATOM 441 O LEU B 11 -0.236 -4.900 -4.200 1.00 0.00 O ATOM 442 CB LEU B 11 -1.662 -1.983 -4.591 1.00 0.00 C ATOM 443 CG LEU B 11 -1.211 -0.992 -3.517 1.00 0.00 C ATOM 444 CD1 LEU B 11 -2.426 -0.237 -2.980 1.00 0.00 C ATOM 445 CD2 LEU B 11 -0.538 -1.751 -2.373 1.00 0.00 C ATOM 0 H LEU B 11 -0.978 -1.740 -6.983 1.00 0.00 H new ATOM 0 HA LEU B 11 0.435 -2.460 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.188 -1.456 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.364 -2.700 -4.166 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.504 -0.284 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.106 0.470 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.907 0.304 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.133 -0.945 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.216 -1.045 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.245 -2.459 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.328 -2.291 -2.755 1.00 0.00 H new ATOM 457 N VAL B 12 -1.355 -4.752 -6.083 1.00 0.00 N ATOM 458 CA VAL B 12 -1.606 -6.220 -6.104 1.00 0.00 C ATOM 459 C VAL B 12 -0.287 -6.935 -6.346 1.00 0.00 C ATOM 460 O VAL B 12 0.012 -7.944 -5.741 1.00 0.00 O ATOM 461 CB VAL B 12 -2.591 -6.560 -7.224 1.00 0.00 C ATOM 462 CG1 VAL B 12 -3.003 -8.029 -7.118 1.00 0.00 C ATOM 463 CG2 VAL B 12 -3.830 -5.673 -7.096 1.00 0.00 C ATOM 0 H VAL B 12 -1.747 -4.233 -6.868 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.032 -6.538 -5.152 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.116 -6.387 -8.190 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.705 -8.269 -7.917 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.120 -8.662 -7.208 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.478 -8.205 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.533 -5.913 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.303 -5.847 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.537 -4.626 -7.174 1.00 0.00 H new ATOM 473 N GLU B 13 0.518 -6.401 -7.212 1.00 0.00 N ATOM 474 CA GLU B 13 1.835 -7.031 -7.478 1.00 0.00 C ATOM 475 C GLU B 13 2.563 -7.159 -6.145 1.00 0.00 C ATOM 476 O GLU B 13 3.402 -8.019 -5.956 1.00 0.00 O ATOM 477 CB GLU B 13 2.647 -6.147 -8.429 1.00 0.00 C ATOM 478 CG GLU B 13 3.883 -6.910 -8.909 1.00 0.00 C ATOM 479 CD GLU B 13 4.253 -6.447 -10.320 1.00 0.00 C ATOM 480 OE1 GLU B 13 3.371 -5.974 -11.017 1.00 0.00 O ATOM 481 OE2 GLU B 13 5.412 -6.575 -10.679 1.00 0.00 O ATOM 0 H GLU B 13 0.322 -5.555 -7.748 1.00 0.00 H new ATOM 0 HA GLU B 13 1.707 -8.010 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.034 -5.854 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.947 -5.230 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.717 -6.738 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.685 -7.982 -8.907 1.00 0.00 H new ATOM 488 N ALA B 14 2.230 -6.308 -5.213 1.00 0.00 N ATOM 489 CA ALA B 14 2.881 -6.367 -3.879 1.00 0.00 C ATOM 490 C ALA B 14 2.134 -7.368 -3.000 1.00 0.00 C ATOM 491 O ALA B 14 2.681 -7.917 -2.064 1.00 0.00 O ATOM 492 CB ALA B 14 2.837 -4.982 -3.235 1.00 0.00 C ATOM 0 H ALA B 14 1.532 -5.572 -5.321 1.00 0.00 H new ATOM 0 HA ALA B 14 3.919 -6.683 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.314 -5.021 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.366 -4.269 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.800 -4.666 -3.121 1.00 0.00 H new ATOM 498 N LEU B 15 0.891 -7.621 -3.300 1.00 0.00 N ATOM 499 CA LEU B 15 0.120 -8.598 -2.487 1.00 0.00 C ATOM 500 C LEU B 15 0.240 -9.966 -3.143 1.00 0.00 C ATOM 501 O LEU B 15 0.381 -10.982 -2.491 1.00 0.00 O ATOM 502 CB LEU B 15 -1.353 -8.186 -2.439 1.00 0.00 C ATOM 503 CG LEU B 15 -1.534 -7.039 -1.444 1.00 0.00 C ATOM 504 CD1 LEU B 15 -2.774 -6.229 -1.824 1.00 0.00 C ATOM 505 CD2 LEU B 15 -1.712 -7.610 -0.036 1.00 0.00 C ATOM 0 H LEU B 15 0.378 -7.194 -4.071 1.00 0.00 H new ATOM 0 HA LEU B 15 0.512 -8.628 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.687 -7.877 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.969 -9.036 -2.145 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.655 -6.394 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.905 -5.411 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.650 -5.824 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.652 -6.874 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.841 -6.793 0.674 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.591 -8.253 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.830 -8.191 0.235 1.00 0.00 H new ATOM 517 N TYR B 16 0.195 -9.985 -4.438 1.00 0.00 N ATOM 518 CA TYR B 16 0.313 -11.265 -5.179 1.00 0.00 C ATOM 519 C TYR B 16 1.714 -11.844 -4.943 1.00 0.00 C ATOM 520 O TYR B 16 1.918 -13.042 -4.989 1.00 0.00 O ATOM 521 CB TYR B 16 0.065 -10.979 -6.671 1.00 0.00 C ATOM 522 CG TYR B 16 0.939 -11.850 -7.548 1.00 0.00 C ATOM 523 CD1 TYR B 16 0.784 -13.243 -7.537 1.00 0.00 C ATOM 524 CD2 TYR B 16 1.908 -11.261 -8.371 1.00 0.00 C ATOM 525 CE1 TYR B 16 1.597 -14.045 -8.351 1.00 0.00 C ATOM 526 CE2 TYR B 16 2.719 -12.061 -9.185 1.00 0.00 C ATOM 527 CZ TYR B 16 2.564 -13.453 -9.174 1.00 0.00 C ATOM 528 OH TYR B 16 3.364 -14.241 -9.976 1.00 0.00 O ATOM 0 H TYR B 16 0.080 -9.158 -5.024 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.419 -11.996 -4.835 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -0.984 -11.156 -6.908 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.267 -9.929 -6.881 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.039 -13.699 -6.902 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.030 -10.188 -8.377 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.478 -15.118 -8.343 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.463 -11.605 -9.821 1.00 0.00 H new ATOM 0 HH TYR B 16 3.980 -13.672 -10.484 1.00 0.00 H new ATOM 538 N LEU B 17 2.677 -11.002 -4.679 1.00 0.00 N ATOM 539 CA LEU B 17 4.057 -11.502 -4.427 1.00 0.00 C ATOM 540 C LEU B 17 4.238 -11.715 -2.925 1.00 0.00 C ATOM 541 O LEU B 17 5.101 -12.449 -2.485 1.00 0.00 O ATOM 542 CB LEU B 17 5.071 -10.471 -4.925 1.00 0.00 C ATOM 543 CG LEU B 17 6.475 -10.884 -4.485 1.00 0.00 C ATOM 544 CD1 LEU B 17 7.380 -10.998 -5.712 1.00 0.00 C ATOM 545 CD2 LEU B 17 7.036 -9.828 -3.529 1.00 0.00 C ATOM 0 H LEU B 17 2.566 -9.989 -4.627 1.00 0.00 H new ATOM 0 HA LEU B 17 4.214 -12.443 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.026 -10.396 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.829 -9.485 -4.527 1.00 0.00 H new ATOM 0 HG LEU B 17 6.432 -11.848 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.382 -11.293 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.977 -11.748 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.427 -10.035 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.038 -10.119 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.081 -8.865 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.389 -9.747 -2.656 1.00 0.00 H new ATOM 557 N VAL B 18 3.420 -11.077 -2.138 1.00 0.00 N ATOM 558 CA VAL B 18 3.518 -11.230 -0.661 1.00 0.00 C ATOM 559 C VAL B 18 2.667 -12.426 -0.234 1.00 0.00 C ATOM 560 O VAL B 18 3.035 -13.197 0.630 1.00 0.00 O ATOM 561 CB VAL B 18 2.995 -9.948 0.002 1.00 0.00 C ATOM 562 CG1 VAL B 18 2.464 -10.250 1.406 1.00 0.00 C ATOM 563 CG2 VAL B 18 4.130 -8.926 0.099 1.00 0.00 C ATOM 0 H VAL B 18 2.681 -10.451 -2.457 1.00 0.00 H new ATOM 0 HA VAL B 18 4.552 -11.397 -0.359 1.00 0.00 H new ATOM 0 HB VAL B 18 2.183 -9.546 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.097 -9.330 1.862 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.650 -10.972 1.340 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.266 -10.663 2.017 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.760 -8.015 0.570 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.942 -9.340 0.697 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.498 -8.694 -0.901 1.00 0.00 H new ATOM 573 N CYS B 19 1.528 -12.566 -0.836 1.00 0.00 N ATOM 574 CA CYS B 19 0.618 -13.692 -0.485 1.00 0.00 C ATOM 575 C CYS B 19 0.713 -14.771 -1.563 1.00 0.00 C ATOM 576 O CYS B 19 -0.247 -15.455 -1.852 1.00 0.00 O ATOM 577 CB CYS B 19 -0.833 -13.193 -0.404 1.00 0.00 C ATOM 578 SG CYS B 19 -0.876 -11.406 -0.102 1.00 0.00 S ATOM 0 H CYS B 19 1.180 -11.944 -1.565 1.00 0.00 H new ATOM 0 HA CYS B 19 0.913 -14.100 0.482 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -1.355 -13.423 -1.333 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -1.359 -13.715 0.395 1.00 0.00 H new ATOM 583 N GLY B 20 1.867 -14.912 -2.160 1.00 0.00 N ATOM 584 CA GLY B 20 2.050 -15.938 -3.233 1.00 0.00 C ATOM 585 C GLY B 20 1.236 -17.195 -2.911 1.00 0.00 C ATOM 586 O GLY B 20 0.220 -17.459 -3.522 1.00 0.00 O ATOM 0 H GLY B 20 2.697 -14.358 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.736 -15.529 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.106 -16.194 -3.325 1.00 0.00 H new ATOM 590 N GLU B 21 1.671 -17.975 -1.958 1.00 0.00 N ATOM 591 CA GLU B 21 0.913 -19.209 -1.609 1.00 0.00 C ATOM 592 C GLU B 21 0.840 -19.353 -0.089 1.00 0.00 C ATOM 593 O GLU B 21 1.839 -19.521 0.582 1.00 0.00 O ATOM 594 CB GLU B 21 1.613 -20.431 -2.206 1.00 0.00 C ATOM 595 CG GLU B 21 0.597 -21.560 -2.390 1.00 0.00 C ATOM 596 CD GLU B 21 1.315 -22.821 -2.876 1.00 0.00 C ATOM 597 OE1 GLU B 21 2.523 -22.766 -3.037 1.00 0.00 O ATOM 598 OE2 GLU B 21 0.644 -23.819 -3.080 1.00 0.00 O ATOM 0 H GLU B 21 2.515 -17.811 -1.409 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.096 -19.138 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.064 -20.173 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.421 -20.757 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.086 -21.760 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.166 -21.263 -3.110 1.00 0.00 H new ATOM 605 N ARG B 22 -0.344 -19.284 0.452 1.00 0.00 N ATOM 606 CA ARG B 22 -0.515 -19.410 1.927 1.00 0.00 C ATOM 607 C ARG B 22 -1.865 -18.807 2.312 1.00 0.00 C ATOM 608 O ARG B 22 -2.485 -19.199 3.280 1.00 0.00 O ATOM 609 CB ARG B 22 0.604 -18.645 2.641 1.00 0.00 C ATOM 610 CG ARG B 22 1.561 -19.638 3.307 1.00 0.00 C ATOM 611 CD ARG B 22 3.000 -19.136 3.162 1.00 0.00 C ATOM 612 NE ARG B 22 3.886 -19.893 4.093 1.00 0.00 N ATOM 613 CZ ARG B 22 3.901 -19.601 5.365 1.00 0.00 C ATOM 614 NH1 ARG B 22 4.452 -18.491 5.776 1.00 0.00 N ATOM 615 NH2 ARG B 22 3.363 -20.420 6.228 1.00 0.00 N ATOM 0 H ARG B 22 -1.209 -19.144 -0.070 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.474 -20.459 2.218 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.146 -18.024 1.928 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.180 -17.975 3.389 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.309 -19.751 4.361 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.460 -20.621 2.848 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.340 -19.265 2.134 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.049 -18.070 3.383 1.00 0.00 H new ATOM 0 HE ARG B 22 4.481 -20.640 3.735 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.872 -17.850 5.103 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.463 -18.265 6.771 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.932 -21.287 5.908 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.374 -20.193 7.222 1.00 0.00 H new ATOM 629 N GLY B 23 -2.319 -17.851 1.551 1.00 0.00 N ATOM 630 CA GLY B 23 -3.622 -17.203 1.846 1.00 0.00 C ATOM 631 C GLY B 23 -3.605 -15.805 1.236 1.00 0.00 C ATOM 632 O GLY B 23 -2.568 -15.316 0.843 1.00 0.00 O ATOM 0 H GLY B 23 -1.836 -17.489 0.729 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.441 -17.790 1.431 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.784 -17.147 2.922 1.00 0.00 H new ATOM 636 N PHE B 24 -4.735 -15.164 1.150 1.00 0.00 N ATOM 637 CA PHE B 24 -4.776 -13.794 0.561 1.00 0.00 C ATOM 638 C PHE B 24 -6.238 -13.352 0.464 1.00 0.00 C ATOM 639 O PHE B 24 -7.038 -13.978 -0.202 1.00 0.00 O ATOM 640 CB PHE B 24 -4.146 -13.819 -0.839 1.00 0.00 C ATOM 641 CG PHE B 24 -4.147 -12.440 -1.458 1.00 0.00 C ATOM 642 CD1 PHE B 24 -4.452 -11.310 -0.689 1.00 0.00 C ATOM 643 CD2 PHE B 24 -3.825 -12.295 -2.816 1.00 0.00 C ATOM 644 CE1 PHE B 24 -4.434 -10.037 -1.277 1.00 0.00 C ATOM 645 CE2 PHE B 24 -3.810 -11.024 -3.404 1.00 0.00 C ATOM 646 CZ PHE B 24 -4.115 -9.894 -2.634 1.00 0.00 C ATOM 0 H PHE B 24 -5.635 -15.528 1.462 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.218 -13.098 1.187 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.124 -14.192 -0.775 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -4.698 -14.509 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.701 -11.419 0.356 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.588 -13.166 -3.409 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.666 -9.165 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.564 -10.915 -4.450 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.104 -8.913 -3.086 1.00 0.00 H new ATOM 656 N PHE B 25 -6.604 -12.297 1.137 1.00 0.00 N ATOM 657 CA PHE B 25 -8.027 -11.849 1.091 1.00 0.00 C ATOM 658 C PHE B 25 -8.156 -10.544 0.298 1.00 0.00 C ATOM 659 O PHE B 25 -8.292 -9.481 0.865 1.00 0.00 O ATOM 660 CB PHE B 25 -8.526 -11.628 2.521 1.00 0.00 C ATOM 661 CG PHE B 25 -8.360 -12.900 3.317 1.00 0.00 C ATOM 662 CD1 PHE B 25 -9.014 -14.071 2.913 1.00 0.00 C ATOM 663 CD2 PHE B 25 -7.550 -12.908 4.462 1.00 0.00 C ATOM 664 CE1 PHE B 25 -8.860 -15.251 3.654 1.00 0.00 C ATOM 665 CE2 PHE B 25 -7.396 -14.088 5.202 1.00 0.00 C ATOM 666 CZ PHE B 25 -8.051 -15.259 4.798 1.00 0.00 C ATOM 0 H PHE B 25 -5.985 -11.728 1.714 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.625 -12.615 0.598 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.968 -10.818 2.991 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.574 -11.329 2.509 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.637 -14.065 2.031 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.045 -12.005 4.773 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.365 -16.154 3.343 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -6.772 -14.095 6.084 1.00 0.00 H new ATOM 0 HZ PHE B 25 -7.932 -16.168 5.369 1.00 0.00 H new ATOM 676 N TYR B 26 -8.131 -10.625 -1.009 1.00 0.00 N ATOM 677 CA TYR B 26 -8.268 -9.396 -1.852 1.00 0.00 C ATOM 678 C TYR B 26 -7.856 -9.725 -3.289 1.00 0.00 C ATOM 679 O TYR B 26 -6.703 -9.988 -3.568 1.00 0.00 O ATOM 680 CB TYR B 26 -7.365 -8.282 -1.312 1.00 0.00 C ATOM 681 CG TYR B 26 -7.383 -7.110 -2.264 1.00 0.00 C ATOM 682 CD1 TYR B 26 -6.595 -7.131 -3.422 1.00 0.00 C ATOM 683 CD2 TYR B 26 -8.189 -5.997 -1.984 1.00 0.00 C ATOM 684 CE1 TYR B 26 -6.614 -6.041 -4.301 1.00 0.00 C ATOM 685 CE2 TYR B 26 -8.207 -4.908 -2.863 1.00 0.00 C ATOM 686 CZ TYR B 26 -7.420 -4.928 -4.021 1.00 0.00 C ATOM 687 OH TYR B 26 -7.437 -3.854 -4.887 1.00 0.00 O ATOM 0 H TYR B 26 -8.021 -11.494 -1.532 1.00 0.00 H new ATOM 0 HA TYR B 26 -9.304 -9.059 -1.827 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.708 -7.968 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.346 -8.651 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.973 -7.987 -3.637 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.796 -5.980 -1.091 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.008 -6.057 -5.195 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.829 -4.051 -2.648 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.562 -4.175 -5.804 1.00 0.00 H new ATOM 697 N THR B 27 -8.787 -9.716 -4.206 1.00 0.00 N ATOM 698 CA THR B 27 -8.435 -10.034 -5.620 1.00 0.00 C ATOM 699 C THR B 27 -8.926 -8.916 -6.545 1.00 0.00 C ATOM 700 O THR B 27 -8.729 -8.961 -7.743 1.00 0.00 O ATOM 701 CB THR B 27 -9.091 -11.360 -6.022 1.00 0.00 C ATOM 702 OG1 THR B 27 -8.495 -11.838 -7.222 1.00 0.00 O ATOM 703 CG2 THR B 27 -10.591 -11.148 -6.244 1.00 0.00 C ATOM 0 H THR B 27 -9.770 -9.503 -4.038 1.00 0.00 H new ATOM 0 HA THR B 27 -7.352 -10.120 -5.710 1.00 0.00 H new ATOM 0 HB THR B 27 -8.946 -12.091 -5.227 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.336 -11.086 -7.830 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.054 -12.093 -6.530 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.047 -10.784 -5.323 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.741 -10.416 -7.037 1.00 0.00 H new ATOM 711 N LYS B 28 -9.562 -7.912 -6.006 1.00 0.00 N ATOM 712 CA LYS B 28 -10.058 -6.801 -6.868 1.00 0.00 C ATOM 713 C LYS B 28 -8.941 -6.371 -7.828 1.00 0.00 C ATOM 714 O LYS B 28 -7.923 -5.865 -7.397 1.00 0.00 O ATOM 715 CB LYS B 28 -10.454 -5.612 -5.991 1.00 0.00 C ATOM 716 CG LYS B 28 -11.500 -4.767 -6.722 1.00 0.00 C ATOM 717 CD LYS B 28 -12.900 -5.148 -6.234 1.00 0.00 C ATOM 718 CE LYS B 28 -13.472 -4.012 -5.383 1.00 0.00 C ATOM 719 NZ LYS B 28 -14.961 -4.067 -5.415 1.00 0.00 N ATOM 0 H LYS B 28 -9.759 -7.813 -5.010 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.925 -7.139 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.855 -5.965 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.577 -5.007 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.317 -3.708 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.423 -4.925 -7.798 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.553 -5.343 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.855 -6.067 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.116 -4.098 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.125 -3.050 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.349 -3.295 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.291 -3.965 -6.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.283 -4.980 -5.035 1.00 0.00 H new ATOM 733 N PRO B 29 -9.156 -6.587 -9.104 1.00 0.00 N ATOM 734 CA PRO B 29 -8.172 -6.230 -10.140 1.00 0.00 C ATOM 735 C PRO B 29 -8.206 -4.724 -10.422 1.00 0.00 C ATOM 736 O PRO B 29 -8.705 -3.946 -9.634 1.00 0.00 O ATOM 737 CB PRO B 29 -8.635 -7.023 -11.364 1.00 0.00 C ATOM 738 CG PRO B 29 -10.135 -7.328 -11.144 1.00 0.00 C ATOM 739 CD PRO B 29 -10.392 -7.200 -9.631 1.00 0.00 C ATOM 0 HA PRO B 29 -7.147 -6.459 -9.850 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -8.485 -6.449 -12.278 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -8.063 -7.945 -11.469 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.758 -6.630 -11.703 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.383 -8.330 -11.496 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.264 -6.578 -9.426 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.580 -8.172 -9.175 1.00 0.00 H new ATOM 747 N THR B 30 -7.674 -4.311 -11.540 1.00 0.00 N ATOM 748 CA THR B 30 -7.671 -2.859 -11.875 1.00 0.00 C ATOM 749 C THR B 30 -7.041 -2.072 -10.724 1.00 0.00 C ATOM 750 O THR B 30 -6.407 -2.691 -9.886 1.00 0.00 O ATOM 751 CB THR B 30 -9.108 -2.376 -12.095 1.00 0.00 C ATOM 752 OG1 THR B 30 -9.667 -1.980 -10.850 1.00 0.00 O ATOM 753 CG2 THR B 30 -9.943 -3.506 -12.697 1.00 0.00 C ATOM 754 OXT THR B 30 -7.200 -0.862 -10.701 1.00 0.00 O ATOM 0 H THR B 30 -7.241 -4.917 -12.237 1.00 0.00 H new ATOM 0 HA THR B 30 -7.094 -2.701 -12.786 1.00 0.00 H new ATOM 0 HB THR B 30 -9.106 -1.528 -12.779 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.617 -2.726 -10.217 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.965 -3.160 -12.853 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.513 -3.808 -13.652 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.948 -4.357 -12.016 1.00 0.00 H new TER 762 THR B 30