USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 374 hydrogens (5 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 NoAdj-H: B 24 DAL H2 : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DAL H : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 167:sc= -1.15! USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.312 K(o=-0.31,f=-0.93) 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 15 GLN :FLIP amide:sc= -1.79! C(o=-2.3!,f=-1.8!) USER MOD Single : A 18 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.6!) USER MOD Single : A 19 TYR OH : rot 126:sc= 1.73 USER MOD Single : A 21 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.13) USER MOD Single : B 1 PHE N :NH3+ -108:sc= 0.104 (180deg=0) USER MOD Single : B 3 ASN :FLIP amide:sc= 0.167 F(o=-1.1,f=0.17) USER MOD Single : B 4 GLN : amide:sc= -0.675 K(o=-0.68,f=-4.8!) USER MOD Single : B 5 HIS : no HD1:sc= -5.41! C(o=-5.4!,f=-8.3!) 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= 0.0346 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.363 2.240 3.920 1.00 0.00 N ATOM 2 CA GLY A 1 -9.566 3.546 3.939 1.00 0.00 C ATOM 3 C GLY A 1 -8.080 3.497 3.825 1.00 0.00 C ATOM 4 O GLY A 1 -7.373 4.217 4.501 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.377 2.451 4.009 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.190 1.741 3.024 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.064 1.639 4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.937 4.168 3.124 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.806 4.063 4.868 1.00 0.00 H new ATOM 10 N ILE A 2 -7.569 2.652 2.972 1.00 0.00 N ATOM 11 CA ILE A 2 -6.091 2.555 2.813 1.00 0.00 C ATOM 12 C ILE A 2 -5.571 3.797 2.085 1.00 0.00 C ATOM 13 O ILE A 2 -4.705 4.496 2.571 1.00 0.00 O ATOM 14 CB ILE A 2 -5.749 1.308 1.998 1.00 0.00 C ATOM 15 CG1 ILE A 2 -6.397 0.081 2.642 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.232 1.119 1.964 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.836 -1.188 1.997 1.00 0.00 C ATOM 0 H ILE A 2 -8.112 2.025 2.378 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.624 2.489 3.796 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.125 1.428 0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.202 0.074 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.479 0.119 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.989 0.230 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.767 1.991 1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.857 1.001 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.297 -2.063 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.054 -1.180 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.757 -1.226 2.147 1.00 0.00 H new ATOM 29 N VAL A 3 -6.090 4.072 0.920 1.00 0.00 N ATOM 30 CA VAL A 3 -5.624 5.262 0.156 1.00 0.00 C ATOM 31 C VAL A 3 -5.493 6.463 1.094 1.00 0.00 C ATOM 32 O VAL A 3 -4.721 7.368 0.849 1.00 0.00 O ATOM 33 CB VAL A 3 -6.631 5.585 -0.948 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.497 4.561 -2.075 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.046 5.530 -0.375 1.00 0.00 C ATOM 0 H VAL A 3 -6.818 3.522 0.464 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.652 5.046 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.435 6.583 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.215 4.791 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.487 4.599 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.694 3.563 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.766 5.760 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.242 4.531 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.141 6.259 0.429 1.00 0.00 H new ATOM 45 N GLU A 4 -6.244 6.481 2.162 1.00 0.00 N ATOM 46 CA GLU A 4 -6.164 7.627 3.110 1.00 0.00 C ATOM 47 C GLU A 4 -4.699 8.014 3.326 1.00 0.00 C ATOM 48 O GLU A 4 -4.252 9.049 2.877 1.00 0.00 O ATOM 49 CB GLU A 4 -6.791 7.228 4.448 1.00 0.00 C ATOM 50 CG GLU A 4 -7.526 8.430 5.044 1.00 0.00 C ATOM 51 CD GLU A 4 -8.942 8.502 4.468 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.588 7.469 4.408 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.354 9.588 4.096 1.00 0.00 O ATOM 0 H GLU A 4 -6.909 5.751 2.418 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.705 8.478 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.484 6.399 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.019 6.883 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.568 8.342 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.984 9.349 4.820 1.00 0.00 H new ATOM 60 N GLN A 5 -3.948 7.193 4.009 1.00 0.00 N ATOM 61 CA GLN A 5 -2.516 7.529 4.243 1.00 0.00 C ATOM 62 C GLN A 5 -1.683 7.074 3.044 1.00 0.00 C ATOM 63 O GLN A 5 -0.572 7.521 2.844 1.00 0.00 O ATOM 64 CB GLN A 5 -2.017 6.828 5.509 1.00 0.00 C ATOM 65 CG GLN A 5 -2.590 7.531 6.741 1.00 0.00 C ATOM 66 CD GLN A 5 -3.929 6.895 7.118 1.00 0.00 C ATOM 67 OE1 GLN A 5 -4.059 5.687 7.130 1.00 0.00 O ATOM 68 NE2 GLN A 5 -4.938 7.663 7.428 1.00 0.00 N ATOM 0 H GLN A 5 -4.262 6.310 4.412 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.416 8.607 4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.320 5.781 5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.928 6.845 5.541 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.892 7.453 7.574 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.725 8.593 6.536 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.829 8.677 7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.835 7.249 7.680 1.00 0.00 H new ATOM 77 N CYS A 6 -2.215 6.196 2.240 1.00 0.00 N ATOM 78 CA CYS A 6 -1.457 5.723 1.049 1.00 0.00 C ATOM 79 C CYS A 6 -1.804 6.616 -0.143 1.00 0.00 C ATOM 80 O CYS A 6 -1.691 6.220 -1.284 1.00 0.00 O ATOM 81 CB CYS A 6 -1.846 4.274 0.740 1.00 0.00 C ATOM 82 SG CYS A 6 -0.601 3.104 1.372 1.00 0.00 S ATOM 0 H CYS A 6 -3.142 5.786 2.356 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.386 5.771 1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.815 4.053 1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.954 4.146 -0.337 1.00 0.00 H new ATOM 87 N CYS A 7 -2.217 7.824 0.122 1.00 0.00 N ATOM 88 CA CYS A 7 -2.566 8.765 -0.977 1.00 0.00 C ATOM 89 C CYS A 7 -2.712 10.167 -0.387 1.00 0.00 C ATOM 90 O CYS A 7 -2.317 11.150 -0.983 1.00 0.00 O ATOM 91 CB CYS A 7 -3.884 8.339 -1.629 1.00 0.00 C ATOM 92 SG CYS A 7 -4.097 9.230 -3.192 1.00 0.00 S ATOM 0 H CYS A 7 -2.328 8.202 1.063 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.783 8.757 -1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.883 7.264 -1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.718 8.550 -0.960 1.00 0.00 H new ATOM 97 N THR A 8 -3.263 10.263 0.793 1.00 0.00 N ATOM 98 CA THR A 8 -3.422 11.593 1.440 1.00 0.00 C ATOM 99 C THR A 8 -2.244 11.807 2.400 1.00 0.00 C ATOM 100 O THR A 8 -1.922 12.917 2.775 1.00 0.00 O ATOM 101 CB THR A 8 -4.779 11.634 2.183 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.551 12.713 1.676 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.590 11.817 3.695 1.00 0.00 C ATOM 0 H THR A 8 -3.610 9.473 1.337 1.00 0.00 H new ATOM 0 HA THR A 8 -3.419 12.395 0.702 1.00 0.00 H new ATOM 0 HB THR A 8 -5.288 10.684 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.413 12.745 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.564 11.841 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.006 10.987 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.065 12.753 3.885 1.00 0.00 H new ATOM 111 N SER A 9 -1.603 10.741 2.794 1.00 0.00 N ATOM 112 CA SER A 9 -0.446 10.857 3.723 1.00 0.00 C ATOM 113 C SER A 9 0.803 10.273 3.052 1.00 0.00 C ATOM 114 O SER A 9 1.021 10.455 1.870 1.00 0.00 O ATOM 115 CB SER A 9 -0.758 10.086 5.004 1.00 0.00 C ATOM 116 OG SER A 9 -0.053 10.669 6.092 1.00 0.00 O ATOM 0 H SER A 9 -1.833 9.789 2.510 1.00 0.00 H new ATOM 0 HA SER A 9 -0.264 11.904 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.830 10.104 5.200 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.472 9.040 4.890 1.00 0.00 H new ATOM 0 HG SER A 9 -0.254 10.175 6.914 1.00 0.00 H new ATOM 122 N ILE A 10 1.627 9.573 3.788 1.00 0.00 N ATOM 123 CA ILE A 10 2.853 8.988 3.176 1.00 0.00 C ATOM 124 C ILE A 10 2.908 7.488 3.469 1.00 0.00 C ATOM 125 O ILE A 10 2.876 7.069 4.610 1.00 0.00 O ATOM 126 CB ILE A 10 4.088 9.668 3.770 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.978 11.182 3.577 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.344 9.155 3.064 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.774 11.495 2.094 1.00 0.00 C ATOM 0 H ILE A 10 1.503 9.383 4.782 1.00 0.00 H new ATOM 0 HA ILE A 10 2.831 9.144 2.098 1.00 0.00 H new ATOM 0 HB ILE A 10 4.151 9.440 4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.145 11.574 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.881 11.672 3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.223 9.640 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.423 8.076 3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.282 9.382 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.696 12.574 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.622 11.117 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.859 11.018 1.744 1.00 0.00 H new ATOM 141 N CYS A 11 2.995 6.673 2.452 1.00 0.00 N ATOM 142 CA CYS A 11 3.054 5.200 2.683 1.00 0.00 C ATOM 143 C CYS A 11 4.468 4.696 2.377 1.00 0.00 C ATOM 144 O CYS A 11 5.038 5.009 1.351 1.00 0.00 O ATOM 145 CB CYS A 11 2.048 4.496 1.770 1.00 0.00 C ATOM 146 SG CYS A 11 0.534 4.128 2.696 1.00 0.00 S ATOM 0 H CYS A 11 3.028 6.962 1.474 1.00 0.00 H new ATOM 0 HA CYS A 11 2.807 4.984 3.722 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.817 5.128 0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.480 3.574 1.380 1.00 0.00 H new ATOM 151 N SER A 12 5.043 3.925 3.261 1.00 0.00 N ATOM 152 CA SER A 12 6.420 3.413 3.022 1.00 0.00 C ATOM 153 C SER A 12 6.393 1.891 2.858 1.00 0.00 C ATOM 154 O SER A 12 5.345 1.283 2.765 1.00 0.00 O ATOM 155 CB SER A 12 7.302 3.779 4.213 1.00 0.00 C ATOM 156 OG SER A 12 6.479 4.071 5.335 1.00 0.00 O ATOM 0 H SER A 12 4.617 3.628 4.139 1.00 0.00 H new ATOM 0 HA SER A 12 6.819 3.861 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.977 2.956 4.447 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.923 4.641 3.969 1.00 0.00 H new ATOM 0 HG SER A 12 7.028 4.096 6.146 1.00 0.00 H new ATOM 162 N LEU A 13 7.543 1.272 2.820 1.00 0.00 N ATOM 163 CA LEU A 13 7.595 -0.209 2.659 1.00 0.00 C ATOM 164 C LEU A 13 7.091 -0.890 3.933 1.00 0.00 C ATOM 165 O LEU A 13 6.574 -1.988 3.896 1.00 0.00 O ATOM 166 CB LEU A 13 9.032 -0.644 2.387 1.00 0.00 C ATOM 167 CG LEU A 13 9.038 -1.690 1.274 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.298 -2.943 1.744 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.340 -1.122 0.036 1.00 0.00 C ATOM 0 H LEU A 13 8.451 1.731 2.894 1.00 0.00 H new ATOM 0 HA LEU A 13 6.960 -0.498 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.636 0.216 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.477 -1.056 3.292 1.00 0.00 H new ATOM 0 HG LEU A 13 10.068 -1.948 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.303 -3.688 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.794 -3.349 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.269 -2.686 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.344 -1.868 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.311 -0.863 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.867 -0.230 -0.302 1.00 0.00 H new ATOM 181 N TYR A 14 7.237 -0.252 5.062 1.00 0.00 N ATOM 182 CA TYR A 14 6.761 -0.877 6.328 1.00 0.00 C ATOM 183 C TYR A 14 5.265 -0.599 6.495 1.00 0.00 C ATOM 184 O TYR A 14 4.554 -1.342 7.143 1.00 0.00 O ATOM 185 CB TYR A 14 7.533 -0.292 7.514 1.00 0.00 C ATOM 186 CG TYR A 14 7.197 1.171 7.670 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.950 1.554 8.180 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.134 2.148 7.306 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.640 2.912 8.326 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.825 3.506 7.453 1.00 0.00 C ATOM 191 CZ TYR A 14 6.577 3.889 7.963 1.00 0.00 C ATOM 192 OH TYR A 14 6.272 5.227 8.107 1.00 0.00 O ATOM 0 H TYR A 14 7.663 0.669 5.162 1.00 0.00 H new ATOM 0 HA TYR A 14 6.929 -1.953 6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.280 -0.832 8.426 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.605 -0.414 7.358 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.227 0.802 8.461 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.095 1.853 6.912 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.678 3.207 8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.548 4.258 7.173 1.00 0.00 H new ATOM 0 HH TYR A 14 7.032 5.770 7.810 1.00 0.00 H new ATOM 202 N GLN A 15 4.781 0.461 5.909 1.00 0.00 N ATOM 203 CA GLN A 15 3.331 0.783 6.026 1.00 0.00 C ATOM 204 C GLN A 15 2.520 -0.225 5.219 1.00 0.00 C ATOM 205 O GLN A 15 1.548 -0.774 5.699 1.00 0.00 O ATOM 206 CB GLN A 15 3.074 2.195 5.496 1.00 0.00 C ATOM 207 CG GLN A 15 1.733 2.705 6.024 1.00 0.00 C ATOM 208 CD GLN A 15 1.747 4.234 6.062 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.569 4.848 6.868 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 1.001 4.877 5.351 1.00 0.00 N flip ATOM 0 H GLN A 15 5.328 1.119 5.353 1.00 0.00 H new ATOM 0 HA GLN A 15 3.031 0.733 7.073 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.877 2.863 5.808 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.069 2.190 4.406 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.922 2.354 5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.548 2.308 7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.358 4.398 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.017 5.896 5.384 1.00 0.00 H new ATOM 219 N LEU A 16 2.906 -0.486 4.001 1.00 0.00 N ATOM 220 CA LEU A 16 2.147 -1.465 3.198 1.00 0.00 C ATOM 221 C LEU A 16 2.478 -2.866 3.721 1.00 0.00 C ATOM 222 O LEU A 16 1.759 -3.816 3.492 1.00 0.00 O ATOM 223 CB LEU A 16 2.506 -1.277 1.710 1.00 0.00 C ATOM 224 CG LEU A 16 3.525 -2.312 1.220 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.712 -2.358 2.177 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.863 -3.692 1.140 1.00 0.00 C ATOM 0 H LEU A 16 3.709 -0.064 3.536 1.00 0.00 H new ATOM 0 HA LEU A 16 1.070 -1.320 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.600 -1.350 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.909 -0.275 1.560 1.00 0.00 H new ATOM 0 HG LEU A 16 3.878 -2.029 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.434 -3.095 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.185 -1.377 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.366 -2.635 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.591 -4.425 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.502 -3.980 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.025 -3.654 0.444 1.00 0.00 H new ATOM 238 N GLU A 17 3.551 -2.993 4.453 1.00 0.00 N ATOM 239 CA GLU A 17 3.897 -4.319 5.020 1.00 0.00 C ATOM 240 C GLU A 17 2.851 -4.619 6.080 1.00 0.00 C ATOM 241 O GLU A 17 2.474 -5.749 6.319 1.00 0.00 O ATOM 242 CB GLU A 17 5.289 -4.263 5.652 1.00 0.00 C ATOM 243 CG GLU A 17 6.313 -4.864 4.686 1.00 0.00 C ATOM 244 CD GLU A 17 6.779 -6.222 5.214 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.883 -6.363 6.422 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.028 -7.098 4.402 1.00 0.00 O ATOM 0 H GLU A 17 4.198 -2.238 4.680 1.00 0.00 H new ATOM 0 HA GLU A 17 3.910 -5.092 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.554 -3.231 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.295 -4.813 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.871 -4.979 3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.165 -4.192 4.578 1.00 0.00 H new ATOM 253 N ASN A 18 2.355 -3.578 6.686 1.00 0.00 N ATOM 254 CA ASN A 18 1.296 -3.725 7.711 1.00 0.00 C ATOM 255 C ASN A 18 -0.010 -4.063 6.995 1.00 0.00 C ATOM 256 O ASN A 18 -0.893 -4.693 7.542 1.00 0.00 O ATOM 257 CB ASN A 18 1.154 -2.401 8.464 1.00 0.00 C ATOM 258 CG ASN A 18 1.864 -2.500 9.815 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.566 -3.457 10.076 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.711 -1.546 10.691 1.00 0.00 N ATOM 0 H ASN A 18 2.646 -2.617 6.508 1.00 0.00 H new ATOM 0 HA ASN A 18 1.543 -4.514 8.421 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.582 -1.589 7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.100 -2.167 8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.180 -1.603 11.595 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.122 -0.743 10.472 1.00 0.00 H new ATOM 267 N TYR A 19 -0.124 -3.653 5.759 1.00 0.00 N ATOM 268 CA TYR A 19 -1.354 -3.948 4.975 1.00 0.00 C ATOM 269 C TYR A 19 -1.514 -5.466 4.856 1.00 0.00 C ATOM 270 O TYR A 19 -2.611 -5.987 4.849 1.00 0.00 O ATOM 271 CB TYR A 19 -1.215 -3.334 3.576 1.00 0.00 C ATOM 272 CG TYR A 19 -1.349 -1.829 3.651 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.323 -1.171 4.890 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.492 -1.088 2.471 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.443 0.223 4.946 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.612 0.306 2.527 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.587 0.962 3.765 1.00 0.00 C ATOM 278 OH TYR A 19 -1.704 2.335 3.820 1.00 0.00 O ATOM 0 H TYR A 19 0.589 -3.123 5.258 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.227 -3.526 5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.248 -3.600 3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.979 -3.742 2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.210 -1.740 5.801 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.510 -1.593 1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.425 0.728 5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.724 0.875 1.616 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.023 2.745 3.247 1.00 0.00 H new ATOM 288 N CYS A 20 -0.422 -6.178 4.766 1.00 0.00 N ATOM 289 CA CYS A 20 -0.503 -7.661 4.651 1.00 0.00 C ATOM 290 C CYS A 20 -0.081 -8.296 5.978 1.00 0.00 C ATOM 291 O CYS A 20 0.049 -7.625 6.983 1.00 0.00 O ATOM 292 CB CYS A 20 0.434 -8.141 3.539 1.00 0.00 C ATOM 293 SG CYS A 20 -0.283 -7.739 1.926 1.00 0.00 S ATOM 0 H CYS A 20 0.523 -5.795 4.767 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.527 -7.951 4.414 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.410 -7.668 3.643 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.591 -9.217 3.621 1.00 0.00 H new ATOM 298 N ASN A 21 0.135 -9.583 5.991 1.00 0.00 N ATOM 299 CA ASN A 21 0.551 -10.255 7.254 1.00 0.00 C ATOM 300 C ASN A 21 1.687 -11.237 6.958 1.00 0.00 C ATOM 301 O ASN A 21 1.936 -12.093 7.791 1.00 0.00 O ATOM 302 CB ASN A 21 -0.639 -11.014 7.845 1.00 0.00 C ATOM 303 CG ASN A 21 -0.941 -12.241 6.982 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.576 -13.346 7.328 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.597 -12.091 5.864 1.00 0.00 N ATOM 306 OXT ASN A 21 2.288 -11.115 5.903 1.00 0.00 O ATOM 0 H ASN A 21 0.041 -10.197 5.182 1.00 0.00 H new ATOM 0 HA ASN A 21 0.894 -9.506 7.968 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.417 -11.321 8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.513 -10.364 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.803 -12.902 5.281 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.904 -11.163 5.573 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.563 5.167 -1.153 1.00 0.00 N ATOM 315 CA PHE B 1 12.283 4.404 -1.104 1.00 0.00 C ATOM 316 C PHE B 1 11.162 5.252 -1.708 1.00 0.00 C ATOM 317 O PHE B 1 11.374 6.376 -2.119 1.00 0.00 O ATOM 318 CB PHE B 1 11.944 4.069 0.351 1.00 0.00 C ATOM 319 CG PHE B 1 12.297 2.587 0.623 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.828 1.561 -0.239 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.098 2.223 1.730 1.00 0.00 C ATOM 322 CE1 PHE B 1 12.154 0.222 0.013 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.414 0.878 1.967 1.00 0.00 C ATOM 324 CZ PHE B 1 12.943 -0.118 1.112 1.00 0.00 C ATOM 0 H1 PHE B 1 14.186 4.753 -1.875 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.366 6.160 -1.393 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.030 5.121 -0.225 1.00 0.00 H new ATOM 0 HA PHE B 1 12.387 3.481 -1.674 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.501 4.719 1.026 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.885 4.245 0.541 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.217 1.814 -1.093 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.469 2.987 2.398 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.792 -0.552 -0.648 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.026 0.612 2.816 1.00 0.00 H new ATOM 0 HZ PHE B 1 13.189 -1.153 1.301 1.00 0.00 H new ATOM 336 N VAL B 2 9.970 4.724 -1.766 1.00 0.00 N ATOM 337 CA VAL B 2 8.838 5.501 -2.346 1.00 0.00 C ATOM 338 C VAL B 2 7.863 5.894 -1.235 1.00 0.00 C ATOM 339 O VAL B 2 6.706 5.523 -1.252 1.00 0.00 O ATOM 340 CB VAL B 2 8.112 4.646 -3.384 1.00 0.00 C ATOM 341 CG1 VAL B 2 7.443 3.464 -2.687 1.00 0.00 C ATOM 342 CG2 VAL B 2 7.048 5.492 -4.085 1.00 0.00 C ATOM 0 H VAL B 2 9.731 3.789 -1.437 1.00 0.00 H new ATOM 0 HA VAL B 2 9.224 6.402 -2.823 1.00 0.00 H new ATOM 0 HB VAL B 2 8.827 4.279 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL B 2 6.924 2.852 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.200 2.862 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL B 2 6.726 3.833 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL B 2 6.529 4.884 -4.826 1.00 0.00 H new ATOM 0 HG22 VAL B 2 6.331 5.858 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.524 6.338 -4.580 1.00 0.00 H new ATOM 352 N ASN B 3 8.318 6.644 -0.268 1.00 0.00 N ATOM 353 CA ASN B 3 7.414 7.062 0.840 1.00 0.00 C ATOM 354 C ASN B 3 6.579 8.262 0.387 1.00 0.00 C ATOM 355 O ASN B 3 6.713 9.354 0.902 1.00 0.00 O ATOM 356 CB ASN B 3 8.250 7.454 2.060 1.00 0.00 C ATOM 357 CG ASN B 3 9.430 8.318 1.614 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.645 7.867 1.759 1.00 0.00 O flip ATOM 359 ND2 ASN B 3 9.244 9.416 1.126 1.00 0.00 N flip ATOM 0 H ASN B 3 9.277 6.985 -0.198 1.00 0.00 H new ATOM 0 HA ASN B 3 6.753 6.236 1.103 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.635 8.001 2.775 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.612 6.560 2.569 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.294 9.769 1.012 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.038 9.984 0.830 1.00 0.00 H new ATOM 366 N GLN B 4 5.726 8.070 -0.581 1.00 0.00 N ATOM 367 CA GLN B 4 4.892 9.194 -1.078 1.00 0.00 C ATOM 368 C GLN B 4 3.438 8.736 -1.223 1.00 0.00 C ATOM 369 O GLN B 4 3.062 7.671 -0.770 1.00 0.00 O ATOM 370 CB GLN B 4 5.427 9.630 -2.440 1.00 0.00 C ATOM 371 CG GLN B 4 6.275 10.892 -2.280 1.00 0.00 C ATOM 372 CD GLN B 4 7.710 10.503 -1.919 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.037 9.333 -1.858 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.587 11.438 -1.676 1.00 0.00 N ATOM 0 H GLN B 4 5.572 7.177 -1.050 1.00 0.00 H new ATOM 0 HA GLN B 4 4.933 10.025 -0.374 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.025 8.832 -2.879 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.599 9.821 -3.123 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.265 11.469 -3.205 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.854 11.529 -1.503 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.314 12.419 -1.727 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.546 11.188 -1.435 1.00 0.00 H new ATOM 383 N HIS B 5 2.619 9.539 -1.850 1.00 0.00 N ATOM 384 CA HIS B 5 1.196 9.168 -2.037 1.00 0.00 C ATOM 385 C HIS B 5 1.073 8.224 -3.234 1.00 0.00 C ATOM 386 O HIS B 5 1.148 8.636 -4.375 1.00 0.00 O ATOM 387 CB HIS B 5 0.368 10.430 -2.290 1.00 0.00 C ATOM 388 CG HIS B 5 0.758 11.491 -1.297 1.00 0.00 C ATOM 389 ND1 HIS B 5 0.049 11.678 -0.129 1.00 0.00 N ATOM 390 CD2 HIS B 5 1.776 12.403 -1.310 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.647 12.684 0.526 1.00 0.00 C ATOM 392 NE2 HIS B 5 1.709 13.159 -0.158 1.00 0.00 N ATOM 0 H HIS B 5 2.883 10.443 -2.242 1.00 0.00 H new ATOM 0 HA HIS B 5 0.827 8.669 -1.141 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.533 10.789 -3.306 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -0.695 10.205 -2.200 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.512 12.514 -2.093 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.320 13.066 1.482 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.332 13.918 0.119 1.00 0.00 H new ATOM 400 N LEU B 6 0.905 6.957 -2.983 1.00 0.00 N ATOM 401 CA LEU B 6 0.798 5.977 -4.109 1.00 0.00 C ATOM 402 C LEU B 6 -0.671 5.716 -4.488 1.00 0.00 C ATOM 403 O LEU B 6 -0.954 5.132 -5.514 1.00 0.00 O ATOM 404 CB LEU B 6 1.471 4.649 -3.727 1.00 0.00 C ATOM 405 CG LEU B 6 1.638 4.530 -2.206 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.266 4.500 -1.528 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.390 3.237 -1.881 1.00 0.00 C ATOM 0 H LEU B 6 0.837 6.553 -2.049 1.00 0.00 H new ATOM 0 HA LEU B 6 1.306 6.410 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.873 3.816 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.446 4.580 -4.209 1.00 0.00 H new ATOM 0 HG LEU B 6 2.199 5.389 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.395 4.415 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.274 5.419 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -0.302 3.644 -1.894 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.511 3.148 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.824 2.383 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.371 3.258 -2.356 1.00 0.00 H new ATOM 419 N CYS B 7 -1.606 6.149 -3.693 1.00 0.00 N ATOM 420 CA CYS B 7 -3.040 5.923 -4.033 1.00 0.00 C ATOM 421 C CYS B 7 -3.261 4.496 -4.563 1.00 0.00 C ATOM 422 O CYS B 7 -2.391 3.650 -4.502 1.00 0.00 O ATOM 423 CB CYS B 7 -3.471 6.947 -5.082 1.00 0.00 C ATOM 424 SG CYS B 7 -4.897 7.870 -4.455 1.00 0.00 S ATOM 0 H CYS B 7 -1.441 6.651 -2.820 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.642 6.042 -3.132 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.649 7.628 -5.303 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.728 6.445 -6.015 1.00 0.00 H new ATOM 429 N GLY B 8 -4.445 4.224 -5.054 1.00 0.00 N ATOM 430 CA GLY B 8 -4.779 2.861 -5.568 1.00 0.00 C ATOM 431 C GLY B 8 -3.684 2.310 -6.493 1.00 0.00 C ATOM 432 O GLY B 8 -2.634 1.886 -6.053 1.00 0.00 O ATOM 0 H GLY B 8 -5.206 4.900 -5.121 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.919 2.181 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.725 2.899 -6.109 1.00 0.00 H new ATOM 436 N SER B 9 -3.968 2.291 -7.773 1.00 0.00 N ATOM 437 CA SER B 9 -3.025 1.749 -8.809 1.00 0.00 C ATOM 438 C SER B 9 -1.577 1.638 -8.310 1.00 0.00 C ATOM 439 O SER B 9 -0.929 0.630 -8.510 1.00 0.00 O ATOM 440 CB SER B 9 -3.057 2.662 -10.034 1.00 0.00 C ATOM 441 OG SER B 9 -4.227 2.389 -10.794 1.00 0.00 O ATOM 0 H SER B 9 -4.846 2.641 -8.157 1.00 0.00 H new ATOM 0 HA SER B 9 -3.360 0.740 -9.051 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.047 3.707 -9.723 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.168 2.502 -10.644 1.00 0.00 H new ATOM 0 HG SER B 9 -4.251 2.975 -11.579 1.00 0.00 H new ATOM 447 N ASP B 10 -1.045 2.660 -7.701 1.00 0.00 N ATOM 448 CA ASP B 10 0.373 2.584 -7.250 1.00 0.00 C ATOM 449 C ASP B 10 0.508 1.757 -5.964 1.00 0.00 C ATOM 450 O ASP B 10 1.256 0.802 -5.917 1.00 0.00 O ATOM 451 CB ASP B 10 0.919 3.993 -7.005 1.00 0.00 C ATOM 452 CG ASP B 10 0.134 5.020 -7.828 1.00 0.00 C ATOM 453 OD1 ASP B 10 -0.339 4.660 -8.894 1.00 0.00 O ATOM 454 OD2 ASP B 10 0.020 6.148 -7.377 1.00 0.00 O ATOM 0 H ASP B 10 -1.524 3.537 -7.497 1.00 0.00 H new ATOM 0 HA ASP B 10 0.947 2.094 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.850 4.238 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.975 4.033 -7.273 1.00 0.00 H new ATOM 459 N LEU B 11 -0.177 2.119 -4.911 1.00 0.00 N ATOM 460 CA LEU B 11 -0.031 1.347 -3.641 1.00 0.00 C ATOM 461 C LEU B 11 -0.326 -0.131 -3.900 1.00 0.00 C ATOM 462 O LEU B 11 0.361 -1.004 -3.407 1.00 0.00 O ATOM 463 CB LEU B 11 -0.950 1.944 -2.553 1.00 0.00 C ATOM 464 CG LEU B 11 -2.230 1.129 -2.329 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.491 1.048 -0.829 1.00 0.00 C ATOM 466 CD2 LEU B 11 -3.402 1.829 -3.009 1.00 0.00 C ATOM 0 H LEU B 11 -0.824 2.906 -4.874 1.00 0.00 H new ATOM 0 HA LEU B 11 0.994 1.420 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.398 2.007 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.220 2.962 -2.833 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.118 0.129 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.398 0.472 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.648 0.561 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.614 2.053 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.312 1.251 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.526 2.825 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.206 1.912 -4.078 1.00 0.00 H new ATOM 478 N VAL B 12 -1.335 -0.425 -4.670 1.00 0.00 N ATOM 479 CA VAL B 12 -1.651 -1.851 -4.952 1.00 0.00 C ATOM 480 C VAL B 12 -0.481 -2.470 -5.718 1.00 0.00 C ATOM 481 O VAL B 12 -0.209 -3.648 -5.609 1.00 0.00 O ATOM 482 CB VAL B 12 -2.940 -1.941 -5.770 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.955 -0.828 -6.817 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.024 -3.301 -6.469 1.00 0.00 C ATOM 0 H VAL B 12 -1.951 0.256 -5.114 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.799 -2.396 -4.020 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.795 -1.830 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.873 -0.890 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.907 0.140 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.096 -0.939 -7.478 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.945 -3.356 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.169 -3.422 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.018 -4.095 -5.722 1.00 0.00 H new ATOM 494 N GLU B 13 0.232 -1.677 -6.474 1.00 0.00 N ATOM 495 CA GLU B 13 1.398 -2.219 -7.216 1.00 0.00 C ATOM 496 C GLU B 13 2.438 -2.663 -6.192 1.00 0.00 C ATOM 497 O GLU B 13 2.900 -3.789 -6.200 1.00 0.00 O ATOM 498 CB GLU B 13 1.986 -1.127 -8.111 1.00 0.00 C ATOM 499 CG GLU B 13 1.501 -1.328 -9.547 1.00 0.00 C ATOM 500 CD GLU B 13 2.621 -0.958 -10.521 1.00 0.00 C ATOM 501 OE1 GLU B 13 3.717 -1.465 -10.352 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.363 -0.176 -11.420 1.00 0.00 O ATOM 0 H GLU B 13 0.055 -0.681 -6.607 1.00 0.00 H new ATOM 0 HA GLU B 13 1.098 -3.060 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.685 -0.144 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.075 -1.160 -8.076 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.201 -2.365 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.623 -0.711 -9.735 1.00 0.00 H new ATOM 509 N ALA B 14 2.785 -1.789 -5.287 1.00 0.00 N ATOM 510 CA ALA B 14 3.767 -2.162 -4.238 1.00 0.00 C ATOM 511 C ALA B 14 3.187 -3.336 -3.454 1.00 0.00 C ATOM 512 O ALA B 14 3.887 -4.244 -3.056 1.00 0.00 O ATOM 513 CB ALA B 14 3.989 -0.974 -3.299 1.00 0.00 C ATOM 0 H ALA B 14 2.430 -0.835 -5.231 1.00 0.00 H new ATOM 0 HA ALA B 14 4.722 -2.437 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.710 -1.249 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.371 -0.127 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.044 -0.700 -2.830 1.00 0.00 H new ATOM 519 N LEU B 15 1.896 -3.326 -3.254 1.00 0.00 N ATOM 520 CA LEU B 15 1.234 -4.432 -2.523 1.00 0.00 C ATOM 521 C LEU B 15 1.604 -5.754 -3.194 1.00 0.00 C ATOM 522 O LEU B 15 1.650 -6.793 -2.566 1.00 0.00 O ATOM 523 CB LEU B 15 -0.283 -4.217 -2.600 1.00 0.00 C ATOM 524 CG LEU B 15 -0.794 -3.358 -1.427 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.417 -4.264 -0.366 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.349 -2.553 -0.793 1.00 0.00 C ATOM 0 H LEU B 15 1.269 -2.587 -3.572 1.00 0.00 H new ATOM 0 HA LEU B 15 1.552 -4.455 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.535 -3.733 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.789 -5.182 -2.592 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.538 -2.661 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.779 -3.657 0.464 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.250 -4.816 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.667 -4.967 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.040 -1.956 0.032 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.111 -3.236 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.789 -1.894 -1.542 1.00 0.00 H new ATOM 538 N TYR B 16 1.877 -5.717 -4.470 1.00 0.00 N ATOM 539 CA TYR B 16 2.254 -6.960 -5.191 1.00 0.00 C ATOM 540 C TYR B 16 3.720 -7.277 -4.902 1.00 0.00 C ATOM 541 O TYR B 16 4.035 -8.143 -4.113 1.00 0.00 O ATOM 542 CB TYR B 16 2.061 -6.755 -6.697 1.00 0.00 C ATOM 543 CG TYR B 16 2.791 -7.838 -7.458 1.00 0.00 C ATOM 544 CD1 TYR B 16 2.345 -9.164 -7.388 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.913 -7.517 -8.232 1.00 0.00 C ATOM 546 CE1 TYR B 16 3.020 -10.169 -8.092 1.00 0.00 C ATOM 547 CE2 TYR B 16 4.589 -8.522 -8.937 1.00 0.00 C ATOM 548 CZ TYR B 16 4.143 -9.848 -8.867 1.00 0.00 C ATOM 549 OH TYR B 16 4.808 -10.838 -9.562 1.00 0.00 O ATOM 0 H TYR B 16 1.854 -4.874 -5.044 1.00 0.00 H new ATOM 0 HA TYR B 16 1.626 -7.786 -4.857 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.999 -6.777 -6.943 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.436 -5.775 -6.991 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.480 -9.412 -6.791 1.00 0.00 H new ATOM 0 HD2 TYR B 16 4.257 -6.495 -8.286 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.675 -11.191 -8.038 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.454 -8.274 -9.534 1.00 0.00 H new ATOM 0 HH TYR B 16 5.563 -10.445 -10.049 1.00 0.00 H new ATOM 559 N LEU B 17 4.620 -6.583 -5.538 1.00 0.00 N ATOM 560 CA LEU B 17 6.057 -6.844 -5.303 1.00 0.00 C ATOM 561 C LEU B 17 6.330 -6.923 -3.797 1.00 0.00 C ATOM 562 O LEU B 17 7.290 -7.528 -3.362 1.00 0.00 O ATOM 563 CB LEU B 17 6.873 -5.719 -5.940 1.00 0.00 C ATOM 564 CG LEU B 17 6.883 -4.500 -5.022 1.00 0.00 C ATOM 565 CD1 LEU B 17 8.262 -4.355 -4.378 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.565 -3.246 -5.839 1.00 0.00 C ATOM 0 H LEU B 17 4.417 -5.845 -6.212 1.00 0.00 H new ATOM 0 HA LEU B 17 6.344 -7.795 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.893 -6.056 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.448 -5.453 -6.908 1.00 0.00 H new ATOM 0 HG LEU B 17 6.132 -4.626 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.268 -3.484 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.488 -5.249 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.015 -4.229 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.572 -2.374 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.316 -3.120 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.581 -3.349 -6.296 1.00 0.00 H new ATOM 578 N VAL B 18 5.492 -6.321 -2.995 1.00 0.00 N ATOM 579 CA VAL B 18 5.706 -6.368 -1.520 1.00 0.00 C ATOM 580 C VAL B 18 5.112 -7.660 -0.954 1.00 0.00 C ATOM 581 O VAL B 18 5.819 -8.600 -0.648 1.00 0.00 O ATOM 582 CB VAL B 18 5.018 -5.172 -0.865 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.095 -5.314 0.654 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.716 -3.878 -1.290 1.00 0.00 C ATOM 0 H VAL B 18 4.669 -5.799 -3.298 1.00 0.00 H new ATOM 0 HA VAL B 18 6.776 -6.336 -1.313 1.00 0.00 H new ATOM 0 HB VAL B 18 3.975 -5.139 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.605 -4.462 1.124 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.596 -6.234 0.959 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.140 -5.348 0.964 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.222 -3.027 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.760 -3.909 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.663 -3.775 -2.374 1.00 0.00 H new ATOM 594 N CYS B 19 3.814 -7.713 -0.811 1.00 0.00 N ATOM 595 CA CYS B 19 3.172 -8.940 -0.262 1.00 0.00 C ATOM 596 C CYS B 19 3.471 -10.120 -1.185 1.00 0.00 C ATOM 597 O CYS B 19 3.483 -11.261 -0.770 1.00 0.00 O ATOM 598 CB CYS B 19 1.658 -8.730 -0.177 1.00 0.00 C ATOM 599 SG CYS B 19 1.310 -7.238 0.788 1.00 0.00 S ATOM 0 H CYS B 19 3.171 -6.958 -1.051 1.00 0.00 H new ATOM 0 HA CYS B 19 3.565 -9.145 0.734 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.236 -8.636 -1.178 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.185 -9.595 0.288 1.00 0.00 H new ATOM 604 N GLY B 20 3.718 -9.852 -2.436 1.00 0.00 N ATOM 605 CA GLY B 20 4.021 -10.952 -3.391 1.00 0.00 C ATOM 606 C GLY B 20 2.733 -11.699 -3.735 1.00 0.00 C ATOM 607 O GLY B 20 1.840 -11.162 -4.361 1.00 0.00 O ATOM 0 H GLY B 20 3.723 -8.915 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.472 -10.547 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.746 -11.638 -2.953 1.00 0.00 H new ATOM 611 N GLU B 21 2.627 -12.935 -3.332 1.00 0.00 N ATOM 612 CA GLU B 21 1.395 -13.716 -3.637 1.00 0.00 C ATOM 613 C GLU B 21 0.581 -13.909 -2.355 1.00 0.00 C ATOM 614 O GLU B 21 -0.502 -14.460 -2.374 1.00 0.00 O ATOM 615 CB GLU B 21 1.787 -15.082 -4.205 1.00 0.00 C ATOM 616 CG GLU B 21 2.477 -15.909 -3.119 1.00 0.00 C ATOM 617 CD GLU B 21 1.826 -17.292 -3.039 1.00 0.00 C ATOM 618 OE1 GLU B 21 0.708 -17.427 -3.507 1.00 0.00 O ATOM 619 OE2 GLU B 21 2.459 -18.193 -2.512 1.00 0.00 O ATOM 0 H GLU B 21 3.340 -13.438 -2.805 1.00 0.00 H new ATOM 0 HA GLU B 21 0.794 -13.177 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.902 -15.605 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.453 -14.955 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.539 -16.008 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.399 -15.403 -2.157 1.00 0.00 H new ATOM 626 N ARG B 22 1.093 -13.461 -1.240 1.00 0.00 N ATOM 627 CA ARG B 22 0.346 -13.622 0.040 1.00 0.00 C ATOM 628 C ARG B 22 -0.553 -12.404 0.264 1.00 0.00 C ATOM 629 O ARG B 22 -1.219 -12.292 1.274 1.00 0.00 O ATOM 630 CB ARG B 22 1.337 -13.740 1.199 1.00 0.00 C ATOM 631 CG ARG B 22 2.279 -14.922 0.952 1.00 0.00 C ATOM 632 CD ARG B 22 3.728 -14.431 0.959 1.00 0.00 C ATOM 633 NE ARG B 22 4.641 -15.585 1.189 1.00 0.00 N ATOM 634 CZ ARG B 22 5.388 -15.623 2.258 1.00 0.00 C ATOM 635 NH1 ARG B 22 6.090 -14.578 2.601 1.00 0.00 N ATOM 636 NH2 ARG B 22 5.434 -16.706 2.985 1.00 0.00 N ATOM 0 H ARG B 22 1.995 -12.991 -1.161 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.266 -14.523 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.911 -12.818 1.295 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.800 -13.880 2.137 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.137 -15.680 1.722 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.048 -15.391 -0.004 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.965 -13.949 0.010 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.866 -13.683 1.740 1.00 0.00 H new ATOM 0 HE ARG B 22 4.682 -16.346 0.511 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.055 -13.731 2.033 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.674 -14.608 3.437 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.886 -17.523 2.718 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.018 -16.735 3.821 1.00 0.00 H new ATOM 650 N GLY B 23 -0.579 -11.488 -0.666 1.00 0.00 N ATOM 651 CA GLY B 23 -1.436 -10.280 -0.496 1.00 0.00 C ATOM 652 C GLY B 23 -1.981 -9.836 -1.853 1.00 0.00 C ATOM 653 O GLY B 23 -3.117 -9.422 -1.971 1.00 0.00 O ATOM 0 H GLY B 23 -0.045 -11.524 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.260 -10.500 0.183 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -0.858 -9.474 -0.045 1.00 0.00 H new HETATM 657 N DAL B 24 -1.180 -9.912 -2.881 1.00 0.00 N HETATM 658 CA DAL B 24 -1.657 -9.489 -4.229 1.00 0.00 C HETATM 659 CB DAL B 24 -2.027 -8.005 -4.194 1.00 0.00 C HETATM 660 C DAL B 24 -2.883 -10.310 -4.621 1.00 0.00 C HETATM 661 O DAL B 24 -2.788 -11.295 -5.326 1.00 0.00 O HETATM 0 HB3 DAL B 24 -2.818 -7.844 -3.461 1.00 0.00 H new HETATM 0 HB2 DAL B 24 -1.151 -7.418 -3.917 1.00 0.00 H new HETATM 0 HB1 DAL B 24 -2.376 -7.694 -5.179 1.00 0.00 H new HETATM 0 HA DAL B 24 -0.865 -9.651 -4.961 1.00 0.00 H new ATOM 667 N PHE B 25 -4.034 -9.911 -4.166 1.00 0.00 N ATOM 668 CA PHE B 25 -5.276 -10.671 -4.510 1.00 0.00 C ATOM 669 C PHE B 25 -5.330 -10.897 -6.021 1.00 0.00 C ATOM 670 O PHE B 25 -4.846 -11.888 -6.530 1.00 0.00 O ATOM 671 CB PHE B 25 -6.546 -9.918 -4.062 1.00 0.00 C ATOM 672 CG PHE B 25 -6.208 -8.466 -3.634 1.00 0.00 C ATOM 673 CD1 PHE B 25 -5.779 -8.186 -2.312 1.00 0.00 C ATOM 674 CD2 PHE B 25 -6.316 -7.389 -4.549 1.00 0.00 C ATOM 675 CE1 PHE B 25 -5.474 -6.874 -1.927 1.00 0.00 C ATOM 676 CE2 PHE B 25 -6.008 -6.083 -4.147 1.00 0.00 C ATOM 677 CZ PHE B 25 -5.590 -5.826 -2.841 1.00 0.00 C ATOM 0 H PHE B 25 -4.174 -9.094 -3.572 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.244 -11.625 -3.984 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.270 -9.902 -4.877 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.013 -10.447 -3.231 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.687 -8.990 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.638 -7.576 -5.563 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.147 -6.673 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -6.095 -5.270 -4.852 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.356 -4.816 -2.537 1.00 0.00 H new ATOM 687 N TYR B 26 -5.919 -9.987 -6.739 1.00 0.00 N ATOM 688 CA TYR B 26 -6.015 -10.144 -8.217 1.00 0.00 C ATOM 689 C TYR B 26 -6.715 -11.465 -8.539 1.00 0.00 C ATOM 690 O TYR B 26 -6.118 -12.386 -9.058 1.00 0.00 O ATOM 691 CB TYR B 26 -4.610 -10.148 -8.824 1.00 0.00 C ATOM 692 CG TYR B 26 -4.709 -10.001 -10.323 1.00 0.00 C ATOM 693 CD1 TYR B 26 -5.551 -9.028 -10.878 1.00 0.00 C ATOM 694 CD2 TYR B 26 -3.959 -10.838 -11.160 1.00 0.00 C ATOM 695 CE1 TYR B 26 -5.642 -8.893 -12.271 1.00 0.00 C ATOM 696 CE2 TYR B 26 -4.049 -10.702 -12.552 1.00 0.00 C ATOM 697 CZ TYR B 26 -4.892 -9.730 -13.107 1.00 0.00 C ATOM 698 OH TYR B 26 -4.981 -9.596 -14.477 1.00 0.00 O ATOM 0 H TYR B 26 -6.341 -9.136 -6.366 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.586 -9.316 -8.636 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.019 -9.333 -8.406 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.096 -11.076 -8.572 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.129 -8.383 -10.234 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -3.311 -11.589 -10.732 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.291 -8.143 -12.699 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.469 -11.346 -13.196 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.396 -10.253 -14.909 1.00 0.00 H new ATOM 708 N THR B 27 -7.979 -11.565 -8.229 1.00 0.00 N ATOM 709 CA THR B 27 -8.718 -12.827 -8.511 1.00 0.00 C ATOM 710 C THR B 27 -9.438 -12.713 -9.856 1.00 0.00 C ATOM 711 O THR B 27 -9.862 -11.647 -10.256 1.00 0.00 O ATOM 712 CB THR B 27 -9.746 -13.073 -7.403 1.00 0.00 C ATOM 713 OG1 THR B 27 -10.415 -11.856 -7.103 1.00 0.00 O ATOM 714 CG2 THR B 27 -9.035 -13.590 -6.152 1.00 0.00 C ATOM 0 H THR B 27 -8.531 -10.827 -7.793 1.00 0.00 H new ATOM 0 HA THR B 27 -8.013 -13.658 -8.548 1.00 0.00 H new ATOM 0 HB THR B 27 -10.472 -13.814 -7.737 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.075 -12.011 -6.395 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.767 -13.765 -5.364 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.522 -14.523 -6.385 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.308 -12.851 -5.815 1.00 0.00 H new ATOM 722 N LYS B 28 -9.581 -13.804 -10.556 1.00 0.00 N ATOM 723 CA LYS B 28 -10.276 -13.760 -11.873 1.00 0.00 C ATOM 724 C LYS B 28 -11.785 -13.622 -11.645 1.00 0.00 C ATOM 725 O LYS B 28 -12.324 -14.196 -10.721 1.00 0.00 O ATOM 726 CB LYS B 28 -9.991 -15.054 -12.638 1.00 0.00 C ATOM 727 CG LYS B 28 -9.504 -14.718 -14.048 1.00 0.00 C ATOM 728 CD LYS B 28 -10.275 -15.558 -15.066 1.00 0.00 C ATOM 729 CE LYS B 28 -9.337 -16.589 -15.697 1.00 0.00 C ATOM 730 NZ LYS B 28 -9.445 -16.518 -17.181 1.00 0.00 N ATOM 0 H LYS B 28 -9.246 -14.725 -10.273 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.916 -12.909 -12.451 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.238 -15.641 -12.112 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.893 -15.664 -12.689 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.649 -13.657 -14.251 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.435 -14.916 -14.132 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.110 -16.061 -14.579 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.697 -14.915 -15.838 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.309 -16.399 -15.387 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.594 -17.590 -15.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.807 -17.219 -17.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.424 -16.720 -17.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.179 -15.566 -17.503 1.00 0.00 H new ATOM 744 N PRO B 29 -12.424 -12.861 -12.498 1.00 0.00 N ATOM 745 CA PRO B 29 -13.875 -12.624 -12.419 1.00 0.00 C ATOM 746 C PRO B 29 -14.644 -13.827 -12.975 1.00 0.00 C ATOM 747 O PRO B 29 -14.062 -14.787 -13.440 1.00 0.00 O ATOM 748 CB PRO B 29 -14.086 -11.388 -13.296 1.00 0.00 C ATOM 749 CG PRO B 29 -12.880 -11.327 -14.262 1.00 0.00 C ATOM 750 CD PRO B 29 -11.759 -12.167 -13.621 1.00 0.00 C ATOM 0 HA PRO B 29 -14.231 -12.481 -11.399 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.023 -11.459 -13.848 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.142 -10.485 -12.688 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.148 -11.722 -15.242 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.555 -10.297 -14.412 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.336 -12.876 -14.333 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.940 -11.538 -13.272 1.00 0.00 H new ATOM 758 N THR B 30 -15.947 -13.780 -12.932 1.00 0.00 N ATOM 759 CA THR B 30 -16.752 -14.919 -13.458 1.00 0.00 C ATOM 760 C THR B 30 -18.199 -14.468 -13.667 1.00 0.00 C ATOM 761 O THR B 30 -18.898 -15.114 -14.430 1.00 0.00 O ATOM 762 CB THR B 30 -16.718 -16.075 -12.456 1.00 0.00 C ATOM 763 OG1 THR B 30 -16.625 -15.553 -11.138 1.00 0.00 O ATOM 764 CG2 THR B 30 -15.507 -16.965 -12.741 1.00 0.00 C ATOM 765 OXT THR B 30 -18.584 -13.482 -13.059 1.00 0.00 O ATOM 0 H THR B 30 -16.489 -13.002 -12.556 1.00 0.00 H new ATOM 0 HA THR B 30 -16.334 -15.250 -14.408 1.00 0.00 H new ATOM 0 HB THR B 30 -17.629 -16.666 -12.551 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.605 -16.292 -10.494 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.484 -17.788 -12.027 1.00 0.00 H new ATOM 0 HG22 THR B 30 -15.579 -17.365 -13.753 1.00 0.00 H new ATOM 0 HG23 THR B 30 -14.594 -16.378 -12.647 1.00 0.00 H new TER 773 THR B 30