USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 375 hydrogens (14 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 27 NVA HD2 : B 27 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 27 NVA H2 : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD NoAdj-H: B 27 NVA H : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD Set 1.1: A 5 GLN : amide:sc= 0.0843 X(o=0.17,f=-0.16) USER MOD Set 1.2: A 19 TYR OH : rot 80:sc= 0.085 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 36:sc= 1.13 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.71) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 21 ASN : amide:sc= -0.0145 X(o=-0.015,f=-0.43) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.171 K(o=0.17,f=-2.8!) USER MOD Single : B 4 GLN : amide:sc=-0.00078 X(o=-0.00078,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -0.0675 X(o=-0.068,f=-0.2) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.13) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.180 0.509 0.696 1.00 25.00 N ATOM 2 CA GLY A 1 2.836 -0.025 -0.519 1.00 25.00 C ATOM 3 C GLY A 1 1.885 -0.668 -1.519 1.00 25.00 C ATOM 4 O GLY A 1 1.112 -1.547 -1.220 1.00 25.00 O ATOM 0 H1 GLY A 1 2.897 0.928 1.322 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.488 1.237 0.426 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.693 -0.263 1.195 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.370 0.786 -1.014 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.581 -0.762 -0.220 1.00 25.00 H new ATOM 9 N ILE A 2 1.967 -0.207 -2.781 1.00 25.00 N ATOM 10 CA ILE A 2 1.094 -0.675 -3.868 1.00 25.00 C ATOM 11 C ILE A 2 1.165 -2.200 -4.070 1.00 25.00 C ATOM 12 O ILE A 2 0.171 -2.847 -4.405 1.00 25.00 O ATOM 13 CB ILE A 2 1.456 0.087 -5.192 1.00 25.00 C ATOM 14 CG1 ILE A 2 0.456 -0.222 -6.318 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.897 -0.270 -5.674 1.00 25.00 C ATOM 16 CD1 ILE A 2 -0.921 0.374 -6.144 1.00 25.00 C ATOM 0 H ILE A 2 2.641 0.500 -3.073 1.00 25.00 H new ATOM 0 HA ILE A 2 0.064 -0.454 -3.589 1.00 25.00 H new ATOM 0 HB ILE A 2 1.407 1.151 -4.962 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.872 0.137 -7.259 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.357 -1.304 -6.406 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.118 0.273 -6.593 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.617 0.009 -4.905 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.963 -1.342 -5.861 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.547 0.096 -6.992 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.367 -0.003 -5.224 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.843 1.460 -6.091 1.00 25.00 H new ATOM 28 N VAL A 3 2.324 -2.783 -3.815 1.00 25.00 N ATOM 29 CA VAL A 3 2.497 -4.224 -3.964 1.00 25.00 C ATOM 30 C VAL A 3 1.656 -4.959 -2.915 1.00 25.00 C ATOM 31 O VAL A 3 0.973 -5.921 -3.222 1.00 25.00 O ATOM 32 CB VAL A 3 4.000 -4.602 -3.814 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.204 -6.126 -3.832 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.825 -3.957 -4.953 1.00 25.00 C ATOM 0 H VAL A 3 3.159 -2.286 -3.505 1.00 25.00 H new ATOM 0 HA VAL A 3 2.162 -4.522 -4.957 1.00 25.00 H new ATOM 0 HB VAL A 3 4.342 -4.224 -2.851 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.265 -6.352 -3.725 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.652 -6.577 -3.007 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.840 -6.531 -4.776 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.875 -4.227 -4.840 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.460 -4.316 -5.915 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.722 -2.873 -4.908 1.00 25.00 H new ATOM 44 N GLU A 4 1.661 -4.477 -1.684 1.00 25.00 N ATOM 45 CA GLU A 4 0.884 -5.103 -0.624 1.00 25.00 C ATOM 46 C GLU A 4 -0.610 -4.851 -0.863 1.00 25.00 C ATOM 47 O GLU A 4 -1.450 -5.697 -0.634 1.00 25.00 O ATOM 48 CB GLU A 4 1.301 -4.523 0.725 1.00 25.00 C ATOM 49 CG GLU A 4 2.749 -4.848 1.101 1.00 25.00 C ATOM 50 CD GLU A 4 3.192 -4.126 2.340 1.00 25.00 C ATOM 51 OE1 GLU A 4 3.255 -2.938 2.427 1.00 25.00 O ATOM 52 OE2 GLU A 4 3.517 -4.911 3.306 1.00 25.00 O ATOM 0 H GLU A 4 2.192 -3.657 -1.393 1.00 25.00 H new ATOM 0 HA GLU A 4 1.068 -6.177 -0.624 1.00 25.00 H new ATOM 0 HB2 GLU A 4 1.173 -3.441 0.703 1.00 25.00 H new ATOM 0 HB3 GLU A 4 0.637 -4.907 1.499 1.00 25.00 H new ATOM 0 HG2 GLU A 4 2.850 -5.923 1.254 1.00 25.00 H new ATOM 0 HG3 GLU A 4 3.406 -4.581 0.273 1.00 25.00 H new ATOM 60 N GLN A 5 -0.915 -3.672 -1.359 1.00 25.00 N ATOM 61 CA GLN A 5 -2.296 -3.258 -1.602 1.00 25.00 C ATOM 62 C GLN A 5 -2.970 -4.069 -2.719 1.00 25.00 C ATOM 63 O GLN A 5 -4.136 -4.427 -2.604 1.00 25.00 O ATOM 64 CB GLN A 5 -2.323 -1.767 -1.961 1.00 25.00 C ATOM 65 CG GLN A 5 -3.699 -1.105 -1.841 1.00 25.00 C ATOM 66 CD GLN A 5 -4.091 -0.814 -0.401 1.00 25.00 C ATOM 67 OE1 GLN A 5 -4.509 -1.689 0.332 1.00 25.00 O ATOM 68 NE2 GLN A 5 -3.962 0.424 -0.001 1.00 25.00 N ATOM 0 H GLN A 5 -0.220 -2.968 -1.608 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.858 -3.443 -0.687 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.623 -1.239 -1.314 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.965 -1.647 -2.983 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.700 -0.174 -2.408 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -4.450 -1.754 -2.293 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -3.608 1.133 -0.643 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.216 0.681 0.953 1.00 25.00 H new ATOM 77 N CYS A 6 -2.250 -4.315 -3.805 1.00 25.00 N ATOM 78 CA CYS A 6 -2.838 -4.956 -4.983 1.00 25.00 C ATOM 79 C CYS A 6 -2.376 -6.372 -5.272 1.00 25.00 C ATOM 80 O CYS A 6 -3.144 -7.168 -5.800 1.00 25.00 O ATOM 81 CB CYS A 6 -2.527 -4.116 -6.216 1.00 25.00 C ATOM 82 SG CYS A 6 -3.332 -2.488 -6.213 1.00 25.00 S ATOM 0 H CYS A 6 -1.261 -4.083 -3.899 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.902 -5.021 -4.755 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.448 -3.978 -6.288 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.838 -4.664 -7.106 1.00 25.00 H new ATOM 87 N CYS A 7 -1.121 -6.690 -5.010 1.00 25.00 N ATOM 88 CA CYS A 7 -0.642 -8.033 -5.323 1.00 25.00 C ATOM 89 C CYS A 7 -1.099 -8.931 -4.185 1.00 25.00 C ATOM 90 O CYS A 7 -1.755 -9.945 -4.404 1.00 25.00 O ATOM 91 CB CYS A 7 0.882 -8.042 -5.498 1.00 25.00 C ATOM 92 SG CYS A 7 1.550 -9.447 -6.441 1.00 25.00 S ATOM 0 H CYS A 7 -0.431 -6.063 -4.595 1.00 25.00 H new ATOM 0 HA CYS A 7 -1.048 -8.393 -6.268 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.179 -7.118 -5.995 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.344 -8.036 -4.511 1.00 25.00 H new ATOM 97 N THR A 8 -0.801 -8.504 -2.965 1.00 25.00 N ATOM 98 CA THR A 8 -1.169 -9.257 -1.771 1.00 25.00 C ATOM 99 C THR A 8 -2.679 -9.196 -1.472 1.00 25.00 C ATOM 100 O THR A 8 -3.311 -10.235 -1.267 1.00 25.00 O ATOM 101 CB THR A 8 -0.357 -8.736 -0.562 1.00 25.00 C ATOM 102 OG1 THR A 8 1.040 -8.809 -0.868 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.616 -9.548 0.698 1.00 25.00 C ATOM 0 H THR A 8 -0.302 -7.635 -2.775 1.00 25.00 H new ATOM 0 HA THR A 8 -0.931 -10.305 -1.956 1.00 25.00 H new ATOM 0 HB THR A 8 -0.670 -7.709 -0.376 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.560 -8.478 -0.106 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.024 -9.144 1.519 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.674 -9.495 0.954 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.336 -10.587 0.525 1.00 25.00 H new ATOM 111 N SER A 9 -3.274 -8.013 -1.477 1.00 25.00 N ATOM 112 CA SER A 9 -4.715 -7.864 -1.210 1.00 25.00 C ATOM 113 C SER A 9 -5.475 -7.360 -2.436 1.00 25.00 C ATOM 114 O SER A 9 -4.916 -7.243 -3.518 1.00 25.00 O ATOM 115 CB SER A 9 -4.939 -6.941 -0.010 1.00 25.00 C ATOM 116 OG SER A 9 -4.333 -5.676 -0.204 1.00 25.00 O ATOM 0 H SER A 9 -2.789 -7.135 -1.662 1.00 25.00 H new ATOM 0 HA SER A 9 -5.112 -8.851 -0.973 1.00 25.00 H new ATOM 0 HB2 SER A 9 -6.009 -6.811 0.155 1.00 25.00 H new ATOM 0 HB3 SER A 9 -4.532 -7.406 0.888 1.00 25.00 H new ATOM 0 HG SER A 9 -4.408 -5.418 -1.146 1.00 25.00 H new ATOM 122 N ILE A 10 -6.768 -7.117 -2.275 1.00 25.00 N ATOM 123 CA ILE A 10 -7.609 -6.617 -3.360 1.00 25.00 C ATOM 124 C ILE A 10 -7.570 -5.094 -3.290 1.00 25.00 C ATOM 125 O ILE A 10 -7.773 -4.520 -2.227 1.00 25.00 O ATOM 126 CB ILE A 10 -9.099 -7.076 -3.183 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.226 -8.614 -3.286 1.00 25.00 C ATOM 128 CG2 ILE A 10 -10.030 -6.386 -4.223 1.00 25.00 C ATOM 129 CD1 ILE A 10 -8.963 -9.193 -4.668 1.00 25.00 C ATOM 0 H ILE A 10 -7.264 -7.259 -1.395 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.241 -7.001 -4.311 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.416 -6.771 -2.186 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.530 -9.068 -2.581 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.230 -8.902 -2.974 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -11.055 -6.725 -4.074 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -9.982 -5.305 -4.093 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.705 -6.645 -5.231 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.077 -10.277 -4.636 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.675 -8.774 -5.379 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -7.949 -8.944 -4.980 1.00 25.00 H new ATOM 141 N CYS A 11 -7.354 -4.444 -4.425 1.00 25.00 N ATOM 142 CA CYS A 11 -7.373 -2.987 -4.484 1.00 25.00 C ATOM 143 C CYS A 11 -8.340 -2.543 -5.568 1.00 25.00 C ATOM 144 O CYS A 11 -8.772 -3.344 -6.400 1.00 25.00 O ATOM 145 CB CYS A 11 -5.969 -2.455 -4.754 1.00 25.00 C ATOM 146 SG CYS A 11 -5.306 -2.942 -6.370 1.00 25.00 S ATOM 0 H CYS A 11 -7.164 -4.901 -5.317 1.00 25.00 H new ATOM 0 HA CYS A 11 -7.707 -2.584 -3.528 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -5.983 -1.367 -4.689 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.298 -2.812 -3.973 1.00 25.00 H new ATOM 151 N SER A 12 -8.706 -1.272 -5.527 1.00 25.00 N ATOM 152 CA SER A 12 -9.685 -0.697 -6.452 1.00 25.00 C ATOM 153 C SER A 12 -9.094 0.574 -7.045 1.00 25.00 C ATOM 154 O SER A 12 -8.134 1.123 -6.502 1.00 25.00 O ATOM 155 CB SER A 12 -10.966 -0.350 -5.685 1.00 25.00 C ATOM 156 OG SER A 12 -11.495 -1.500 -5.053 1.00 25.00 O ATOM 0 H SER A 12 -8.335 -0.604 -4.852 1.00 25.00 H new ATOM 0 HA SER A 12 -9.921 -1.409 -7.243 1.00 25.00 H new ATOM 0 HB2 SER A 12 -10.754 0.416 -4.939 1.00 25.00 H new ATOM 0 HB3 SER A 12 -11.704 0.068 -6.370 1.00 25.00 H new ATOM 0 HG SER A 12 -12.311 -1.260 -4.567 1.00 25.00 H new ATOM 162 N LEU A 13 -9.685 1.061 -8.125 1.00 25.00 N ATOM 163 CA LEU A 13 -9.213 2.270 -8.802 1.00 25.00 C ATOM 164 C LEU A 13 -9.144 3.481 -7.851 1.00 25.00 C ATOM 165 O LEU A 13 -8.243 4.307 -7.942 1.00 25.00 O ATOM 166 CB LEU A 13 -10.106 2.582 -10.012 1.00 25.00 C ATOM 167 CG LEU A 13 -11.552 3.023 -9.739 1.00 25.00 C ATOM 168 CD1 LEU A 13 -11.768 4.475 -10.151 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.497 2.117 -10.473 1.00 25.00 C ATOM 0 H LEU A 13 -10.503 0.635 -8.560 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.197 2.077 -9.147 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -9.621 3.366 -10.593 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -10.140 1.693 -10.642 1.00 25.00 H new ATOM 0 HG LEU A 13 -11.746 2.953 -8.669 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -12.800 4.761 -9.947 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -11.094 5.118 -9.585 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -11.565 4.585 -11.216 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.524 2.429 -10.280 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.296 2.172 -11.543 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.359 1.092 -10.130 1.00 25.00 H new ATOM 181 N TYR A 14 -10.067 3.530 -6.902 1.00 25.00 N ATOM 182 CA TYR A 14 -10.117 4.601 -5.918 1.00 25.00 C ATOM 183 C TYR A 14 -8.826 4.662 -5.114 1.00 25.00 C ATOM 184 O TYR A 14 -8.257 5.728 -4.931 1.00 25.00 O ATOM 185 CB TYR A 14 -11.295 4.360 -4.974 1.00 25.00 C ATOM 186 CG TYR A 14 -11.526 5.495 -4.009 1.00 25.00 C ATOM 187 CD1 TYR A 14 -12.296 6.611 -4.385 1.00 25.00 C ATOM 188 CD2 TYR A 14 -10.980 5.461 -2.704 1.00 25.00 C ATOM 189 CE1 TYR A 14 -12.510 7.690 -3.473 1.00 25.00 C ATOM 190 CE2 TYR A 14 -11.191 6.533 -1.798 1.00 25.00 C ATOM 191 CZ TYR A 14 -11.956 7.635 -2.192 1.00 25.00 C ATOM 192 OH TYR A 14 -12.177 8.666 -1.314 1.00 25.00 O ATOM 0 H TYR A 14 -10.801 2.830 -6.792 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.241 5.550 -6.440 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -12.198 4.204 -5.564 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.119 3.443 -4.411 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.730 6.653 -5.373 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.395 4.608 -2.393 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.098 8.545 -3.773 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -10.762 6.498 -0.807 1.00 25.00 H new ATOM 0 HH TYR A 14 -11.725 8.476 -0.466 1.00 25.00 H new ATOM 202 N GLN A 15 -8.342 3.510 -4.669 1.00 25.00 N ATOM 203 CA GLN A 15 -7.086 3.455 -3.938 1.00 25.00 C ATOM 204 C GLN A 15 -5.936 3.756 -4.891 1.00 25.00 C ATOM 205 O GLN A 15 -5.022 4.487 -4.540 1.00 25.00 O ATOM 206 CB GLN A 15 -6.889 2.074 -3.300 1.00 25.00 C ATOM 207 CG GLN A 15 -7.114 2.059 -1.786 1.00 25.00 C ATOM 208 CD GLN A 15 -6.128 2.944 -1.038 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.971 3.044 -1.410 1.00 25.00 O ATOM 210 NE2 GLN A 15 -6.587 3.590 0.004 1.00 25.00 N ATOM 0 H GLN A 15 -8.798 2.607 -4.801 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.108 4.199 -3.141 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -7.574 1.366 -3.767 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.878 1.726 -3.512 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -8.130 2.390 -1.570 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.028 1.036 -1.420 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.562 3.480 0.284 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -5.970 4.203 0.536 1.00 25.00 H new ATOM 219 N LEU A 16 -6.001 3.216 -6.099 1.00 25.00 N ATOM 220 CA LEU A 16 -4.927 3.401 -7.080 1.00 25.00 C ATOM 221 C LEU A 16 -4.629 4.860 -7.379 1.00 25.00 C ATOM 222 O LEU A 16 -3.481 5.232 -7.549 1.00 25.00 O ATOM 223 CB LEU A 16 -5.248 2.688 -8.373 1.00 25.00 C ATOM 224 CG LEU A 16 -4.445 1.393 -8.539 1.00 25.00 C ATOM 225 CD1 LEU A 16 -4.917 0.321 -7.589 1.00 25.00 C ATOM 226 CD2 LEU A 16 -4.573 0.907 -9.955 1.00 25.00 C ATOM 0 H LEU A 16 -6.781 2.647 -6.428 1.00 25.00 H new ATOM 0 HA LEU A 16 -4.036 2.970 -6.624 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.313 2.459 -8.404 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -5.040 3.352 -9.212 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.402 1.607 -8.308 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -4.324 -0.582 -7.736 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.801 0.668 -6.562 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -5.967 0.101 -7.781 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -4.003 -0.014 -10.076 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -5.622 0.717 -10.181 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -4.187 1.665 -10.636 1.00 25.00 H new ATOM 238 N GLU A 17 -5.660 5.691 -7.392 1.00 25.00 N ATOM 239 CA GLU A 17 -5.477 7.120 -7.613 1.00 25.00 C ATOM 240 C GLU A 17 -4.520 7.745 -6.594 1.00 25.00 C ATOM 241 O GLU A 17 -3.757 8.644 -6.925 1.00 25.00 O ATOM 242 CB GLU A 17 -6.829 7.846 -7.573 1.00 25.00 C ATOM 243 CG GLU A 17 -7.678 7.568 -8.815 1.00 25.00 C ATOM 244 CD GLU A 17 -8.994 8.291 -8.803 1.00 25.00 C ATOM 245 OE1 GLU A 17 -9.573 8.612 -9.810 1.00 25.00 O ATOM 246 OE2 GLU A 17 -9.464 8.510 -7.612 1.00 25.00 O ATOM 0 H GLU A 17 -6.629 5.404 -7.253 1.00 25.00 H new ATOM 0 HA GLU A 17 -5.030 7.236 -8.600 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.378 7.536 -6.684 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -6.659 8.919 -7.485 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.118 7.860 -9.703 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -7.860 6.496 -8.891 1.00 25.00 H new ATOM 254 N ASN A 18 -4.510 7.244 -5.367 1.00 25.00 N ATOM 255 CA ASN A 18 -3.658 7.821 -4.320 1.00 25.00 C ATOM 256 C ASN A 18 -2.182 7.587 -4.613 1.00 25.00 C ATOM 257 O ASN A 18 -1.317 8.268 -4.074 1.00 25.00 O ATOM 258 CB ASN A 18 -4.006 7.213 -2.958 1.00 25.00 C ATOM 259 CG ASN A 18 -5.432 7.467 -2.555 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.955 8.551 -2.744 1.00 25.00 O ATOM 261 ND2 ASN A 18 -6.069 6.471 -2.015 1.00 25.00 N ATOM 0 H ASN A 18 -5.073 6.448 -5.067 1.00 25.00 H new ATOM 0 HA ASN A 18 -3.842 8.895 -4.301 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -3.828 6.138 -2.989 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.340 7.625 -2.200 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.043 6.581 -1.733 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -5.595 5.579 -1.874 1.00 25.00 H new ATOM 268 N TYR A 19 -1.893 6.627 -5.479 1.00 25.00 N ATOM 269 CA TYR A 19 -0.516 6.293 -5.817 1.00 25.00 C ATOM 270 C TYR A 19 -0.038 7.090 -7.026 1.00 25.00 C ATOM 271 O TYR A 19 1.126 7.001 -7.411 1.00 25.00 O ATOM 272 CB TYR A 19 -0.416 4.804 -6.131 1.00 25.00 C ATOM 273 CG TYR A 19 -0.732 3.926 -4.947 1.00 25.00 C ATOM 274 CD1 TYR A 19 0.234 3.656 -3.961 1.00 25.00 C ATOM 275 CD2 TYR A 19 -2.001 3.353 -4.812 1.00 25.00 C ATOM 276 CE1 TYR A 19 -0.071 2.825 -2.850 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.324 2.522 -3.712 1.00 25.00 C ATOM 278 CZ TYR A 19 -1.347 2.268 -2.734 1.00 25.00 C ATOM 279 OH TYR A 19 -1.636 1.481 -1.651 1.00 25.00 O ATOM 0 H TYR A 19 -2.594 6.065 -5.961 1.00 25.00 H new ATOM 0 HA TYR A 19 0.114 6.543 -4.964 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.099 4.564 -6.946 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.591 4.580 -6.483 1.00 25.00 H new ATOM 0 HD1 TYR A 19 1.221 4.086 -4.050 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.751 3.549 -5.564 1.00 25.00 H new ATOM 0 HE1 TYR A 19 0.679 2.625 -2.099 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.309 2.088 -3.625 1.00 25.00 H new ATOM 0 HH TYR A 19 -1.834 2.049 -0.877 1.00 25.00 H new ATOM 289 N CYS A 20 -0.934 7.845 -7.644 1.00 25.00 N ATOM 290 CA CYS A 20 -0.576 8.593 -8.843 1.00 25.00 C ATOM 291 C CYS A 20 0.275 9.819 -8.516 1.00 25.00 C ATOM 292 O CYS A 20 1.025 10.313 -9.353 1.00 25.00 O ATOM 293 CB CYS A 20 -1.847 8.970 -9.586 1.00 25.00 C ATOM 294 SG CYS A 20 -2.815 7.474 -9.951 1.00 25.00 S ATOM 0 H CYS A 20 -1.902 7.956 -7.342 1.00 25.00 H new ATOM 0 HA CYS A 20 0.039 7.963 -9.485 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.439 9.660 -8.985 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -1.598 9.488 -10.512 1.00 25.00 H new ATOM 299 N ASN A 21 0.179 10.254 -7.246 1.00 25.00 N ATOM 300 CA ASN A 21 1.004 11.336 -6.666 1.00 25.00 C ATOM 301 C ASN A 21 1.018 12.623 -7.529 1.00 25.00 C ATOM 302 O ASN A 21 0.081 13.386 -7.600 1.00 25.00 O ATOM 303 CB ASN A 21 2.417 10.790 -6.320 1.00 25.00 C ATOM 304 CG ASN A 21 3.210 11.835 -5.597 1.00 25.00 C ATOM 305 OD1 ASN A 21 2.754 12.532 -4.732 1.00 25.00 O ATOM 306 ND2 ASN A 21 4.482 11.944 -5.955 1.00 25.00 N ATOM 307 OXT ASN A 21 2.101 12.852 -8.217 1.00 25.00 O ATOM 0 H ASN A 21 -0.485 9.858 -6.581 1.00 25.00 H new ATOM 0 HA ASN A 21 0.541 11.660 -5.734 1.00 25.00 H new ATOM 0 HB2 ASN A 21 2.329 9.897 -5.702 1.00 25.00 H new ATOM 0 HB3 ASN A 21 2.935 10.496 -7.233 1.00 25.00 H new ATOM 0 HD21 ASN A 21 5.085 12.626 -5.494 1.00 25.00 H new ATOM 0 HD22 ASN A 21 4.858 11.346 -6.691 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -12.661 -0.953 -15.613 1.00 25.00 N ATOM 317 CA PHE B 1 -11.921 -1.342 -14.378 1.00 25.00 C ATOM 318 C PHE B 1 -12.748 -2.133 -13.366 1.00 25.00 C ATOM 319 O PHE B 1 -13.852 -1.791 -13.008 1.00 25.00 O ATOM 320 CB PHE B 1 -11.394 -0.058 -13.703 1.00 25.00 C ATOM 321 CG PHE B 1 -10.283 -0.273 -12.680 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.553 -0.883 -11.452 1.00 25.00 C ATOM 323 CD2 PHE B 1 -8.973 0.134 -12.969 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.527 -1.108 -10.529 1.00 25.00 C ATOM 325 CE2 PHE B 1 -7.953 -0.073 -12.041 1.00 25.00 C ATOM 326 CZ PHE B 1 -8.229 -0.702 -10.825 1.00 25.00 C ATOM 0 H1 PHE B 1 -12.028 -0.421 -16.244 1.00 25.00 H new ATOM 0 H2 PHE B 1 -12.997 -1.808 -16.100 1.00 25.00 H new ATOM 0 H3 PHE B 1 -13.475 -0.358 -15.357 1.00 25.00 H new ATOM 0 HA PHE B 1 -11.116 -2.007 -14.692 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -11.028 0.617 -14.477 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -12.227 0.443 -13.211 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.563 -1.183 -11.214 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.753 0.609 -13.913 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.741 -1.595 -9.589 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -6.948 0.254 -12.263 1.00 25.00 H new ATOM 0 HZ PHE B 1 -7.435 -0.874 -10.114 1.00 25.00 H new ATOM 337 N VAL B 2 -12.145 -3.205 -12.834 1.00 25.00 N ATOM 338 CA VAL B 2 -12.760 -3.987 -11.765 1.00 25.00 C ATOM 339 C VAL B 2 -11.692 -4.252 -10.706 1.00 25.00 C ATOM 340 O VAL B 2 -10.501 -4.349 -11.013 1.00 25.00 O ATOM 341 CB VAL B 2 -13.401 -5.309 -12.315 1.00 25.00 C ATOM 342 CG1 VAL B 2 -12.335 -6.266 -12.863 1.00 25.00 C ATOM 343 CG2 VAL B 2 -14.245 -6.005 -11.242 1.00 25.00 C ATOM 0 H VAL B 2 -11.231 -3.547 -13.130 1.00 25.00 H new ATOM 0 HA VAL B 2 -13.583 -3.431 -11.315 1.00 25.00 H new ATOM 0 HB VAL B 2 -14.058 -5.029 -13.139 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.815 -7.171 -13.235 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -11.794 -5.781 -13.676 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.637 -6.527 -12.068 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -14.676 -6.918 -11.653 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -13.615 -6.254 -10.388 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -15.046 -5.339 -10.920 1.00 25.00 H new ATOM 353 N ASN B 3 -12.115 -4.300 -9.453 1.00 25.00 N ATOM 354 CA ASN B 3 -11.220 -4.544 -8.324 1.00 25.00 C ATOM 355 C ASN B 3 -10.831 -6.021 -8.283 1.00 25.00 C ATOM 356 O ASN B 3 -11.678 -6.908 -8.336 1.00 25.00 O ATOM 357 CB ASN B 3 -11.911 -4.109 -7.029 1.00 25.00 C ATOM 358 CG ASN B 3 -13.211 -4.818 -6.804 1.00 25.00 C ATOM 359 OD1 ASN B 3 -14.181 -4.599 -7.518 1.00 25.00 O ATOM 360 ND2 ASN B 3 -13.253 -5.645 -5.806 1.00 25.00 N ATOM 0 H ASN B 3 -13.091 -4.171 -9.185 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.306 -3.962 -8.437 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.247 -4.299 -6.186 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -12.088 -3.034 -7.059 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -14.118 -6.142 -5.591 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -12.421 -5.799 -5.236 1.00 25.00 H new ATOM 367 N GLN B 4 -9.529 -6.269 -8.229 1.00 25.00 N ATOM 368 CA GLN B 4 -8.965 -7.622 -8.313 1.00 25.00 C ATOM 369 C GLN B 4 -7.529 -7.538 -7.827 1.00 25.00 C ATOM 370 O GLN B 4 -7.038 -6.447 -7.541 1.00 25.00 O ATOM 371 CB GLN B 4 -8.983 -8.100 -9.774 1.00 25.00 C ATOM 372 CG GLN B 4 -8.160 -7.214 -10.719 1.00 25.00 C ATOM 373 CD GLN B 4 -8.376 -7.541 -12.176 1.00 25.00 C ATOM 374 OE1 GLN B 4 -8.027 -8.611 -12.646 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.936 -6.607 -12.897 1.00 25.00 N ATOM 0 H GLN B 4 -8.826 -5.538 -8.125 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.543 -8.322 -7.710 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.600 -9.119 -9.819 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.015 -8.131 -10.125 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.419 -6.170 -10.545 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.102 -7.324 -10.481 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -9.213 -5.726 -12.464 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -9.096 -6.759 -13.893 1.00 25.00 H new ATOM 384 N HIS B 5 -6.839 -8.665 -7.772 1.00 25.00 N ATOM 385 CA HIS B 5 -5.410 -8.656 -7.474 1.00 25.00 C ATOM 386 C HIS B 5 -4.674 -8.230 -8.732 1.00 25.00 C ATOM 387 O HIS B 5 -4.988 -8.704 -9.825 1.00 25.00 O ATOM 388 CB HIS B 5 -4.914 -10.043 -7.061 1.00 25.00 C ATOM 389 CG HIS B 5 -5.418 -10.486 -5.726 1.00 25.00 C ATOM 390 ND1 HIS B 5 -4.851 -10.078 -4.516 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.449 -11.291 -5.372 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.530 -10.623 -3.521 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.486 -11.369 -4.014 1.00 25.00 N ATOM 0 H HIS B 5 -7.237 -9.591 -7.928 1.00 25.00 H new ATOM 0 HA HIS B 5 -5.226 -7.970 -6.647 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -5.220 -10.768 -7.815 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.824 -10.040 -7.046 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -4.045 -9.461 -4.417 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.126 -11.786 -6.052 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.328 -10.476 -2.470 1.00 25.00 H new ATOM 402 N LEU B 6 -3.698 -7.353 -8.578 1.00 25.00 N ATOM 403 CA LEU B 6 -2.911 -6.845 -9.704 1.00 25.00 C ATOM 404 C LEU B 6 -1.455 -6.799 -9.288 1.00 25.00 C ATOM 405 O LEU B 6 -1.134 -6.436 -8.170 1.00 25.00 O ATOM 406 CB LEU B 6 -3.383 -5.443 -10.081 1.00 25.00 C ATOM 407 CG LEU B 6 -4.746 -5.377 -10.777 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.343 -3.995 -10.607 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.614 -5.734 -12.267 1.00 25.00 C ATOM 0 H LEU B 6 -3.424 -6.969 -7.674 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.035 -7.498 -10.568 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.425 -4.836 -9.177 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.637 -4.990 -10.734 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.412 -6.107 -10.316 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.312 -3.954 -11.104 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.470 -3.782 -9.546 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.677 -3.254 -11.049 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.594 -5.681 -12.742 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.937 -5.030 -12.751 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.217 -6.745 -12.365 1.00 25.00 H new ATOM 421 N CYS B 7 -0.575 -7.189 -10.194 1.00 25.00 N ATOM 422 CA CYS B 7 0.854 -7.236 -9.900 1.00 25.00 C ATOM 423 C CYS B 7 1.636 -6.940 -11.177 1.00 25.00 C ATOM 424 O CYS B 7 1.062 -6.982 -12.274 1.00 25.00 O ATOM 425 CB CYS B 7 1.217 -8.618 -9.347 1.00 25.00 C ATOM 426 SG CYS B 7 2.481 -8.582 -8.033 1.00 25.00 S ATOM 0 H CYS B 7 -0.821 -7.478 -11.141 1.00 25.00 H new ATOM 0 HA CYS B 7 1.109 -6.487 -9.150 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.315 -9.090 -8.957 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.576 -9.243 -10.165 1.00 25.00 H new ATOM 431 N GLY B 8 2.918 -6.635 -11.035 1.00 25.00 N ATOM 432 CA GLY B 8 3.788 -6.403 -12.184 1.00 25.00 C ATOM 433 C GLY B 8 3.282 -5.412 -13.223 1.00 25.00 C ATOM 434 O GLY B 8 2.658 -4.395 -12.906 1.00 25.00 O ATOM 0 H GLY B 8 3.382 -6.542 -10.132 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.753 -6.052 -11.818 1.00 25.00 H new ATOM 0 HA3 GLY B 8 3.963 -7.358 -12.679 1.00 25.00 H new ATOM 438 N SER B 9 3.525 -5.739 -14.485 1.00 25.00 N ATOM 439 CA SER B 9 3.094 -4.900 -15.599 1.00 25.00 C ATOM 440 C SER B 9 1.579 -4.744 -15.614 1.00 25.00 C ATOM 441 O SER B 9 1.080 -3.700 -15.985 1.00 25.00 O ATOM 442 CB SER B 9 3.550 -5.525 -16.912 1.00 25.00 C ATOM 443 OG SER B 9 3.188 -6.900 -16.946 1.00 25.00 O ATOM 0 H SER B 9 4.021 -6.585 -14.766 1.00 25.00 H new ATOM 0 HA SER B 9 3.541 -3.913 -15.478 1.00 25.00 H new ATOM 0 HB2 SER B 9 3.095 -5.000 -17.752 1.00 25.00 H new ATOM 0 HB3 SER B 9 4.630 -5.422 -17.018 1.00 25.00 H new ATOM 0 HG SER B 9 3.482 -7.295 -17.793 1.00 25.00 H new ATOM 449 N HIS B 10 0.841 -5.754 -15.159 1.00 25.00 N ATOM 450 CA HIS B 10 -0.605 -5.653 -15.070 1.00 25.00 C ATOM 451 C HIS B 10 -1.016 -4.576 -14.072 1.00 25.00 C ATOM 452 O HIS B 10 -1.967 -3.834 -14.318 1.00 25.00 O ATOM 453 CB HIS B 10 -1.208 -7.013 -14.696 1.00 25.00 C ATOM 454 CG HIS B 10 -2.340 -7.415 -15.587 1.00 25.00 C ATOM 455 ND1 HIS B 10 -2.795 -8.728 -15.736 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.122 -6.682 -16.414 1.00 25.00 C ATOM 457 CE1 HIS B 10 -3.794 -8.736 -16.616 1.00 25.00 C ATOM 458 NE2 HIS B 10 -4.005 -7.513 -17.030 1.00 25.00 N ATOM 0 H HIS B 10 1.223 -6.647 -14.848 1.00 25.00 H new ATOM 0 HA HIS B 10 -0.993 -5.362 -16.046 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.429 -7.774 -14.741 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.559 -6.977 -13.665 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.056 -5.614 -16.560 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -4.341 -9.610 -16.936 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -4.716 -7.229 -17.704 1.00 25.00 H new ATOM 467 N LEU B 11 -0.278 -4.457 -12.974 1.00 25.00 N ATOM 468 CA LEU B 11 -0.517 -3.376 -12.011 1.00 25.00 C ATOM 469 C LEU B 11 -0.209 -2.034 -12.664 1.00 25.00 C ATOM 470 O LEU B 11 -0.991 -1.093 -12.545 1.00 25.00 O ATOM 471 CB LEU B 11 0.366 -3.535 -10.772 1.00 25.00 C ATOM 472 CG LEU B 11 -0.283 -3.252 -9.411 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.769 -3.447 -8.328 1.00 25.00 C ATOM 474 CD2 LEU B 11 -0.884 -1.854 -9.316 1.00 25.00 C ATOM 0 H LEU B 11 0.485 -5.087 -12.725 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.563 -3.420 -11.706 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.749 -4.555 -10.758 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.225 -2.873 -10.881 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.112 -3.948 -9.280 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.327 -3.250 -7.351 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.138 -4.472 -8.359 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.597 -2.758 -8.497 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.328 -1.715 -8.330 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.102 -1.111 -9.470 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.653 -1.736 -10.080 1.00 25.00 H new ATOM 486 N VAL B 12 0.914 -1.957 -13.364 1.00 25.00 N ATOM 487 CA VAL B 12 1.306 -0.714 -14.050 1.00 25.00 C ATOM 488 C VAL B 12 0.224 -0.321 -15.072 1.00 25.00 C ATOM 489 O VAL B 12 -0.164 0.840 -15.156 1.00 25.00 O ATOM 490 CB VAL B 12 2.689 -0.864 -14.763 1.00 25.00 C ATOM 491 CG1 VAL B 12 3.082 0.413 -15.507 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.791 -1.197 -13.741 1.00 25.00 C ATOM 0 H VAL B 12 1.571 -2.729 -13.477 1.00 25.00 H new ATOM 0 HA VAL B 12 1.403 0.071 -13.300 1.00 25.00 H new ATOM 0 HB VAL B 12 2.589 -1.676 -15.483 1.00 25.00 H new ATOM 0 HG11 VAL B 12 4.049 0.270 -15.990 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.329 0.640 -16.262 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.148 1.240 -14.800 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.746 -1.298 -14.256 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.858 -0.396 -13.005 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.550 -2.133 -13.238 1.00 25.00 H new ATOM 502 N GLU B 13 -0.295 -1.298 -15.801 1.00 25.00 N ATOM 503 CA GLU B 13 -1.359 -1.057 -16.774 1.00 25.00 C ATOM 504 C GLU B 13 -2.615 -0.529 -16.096 1.00 25.00 C ATOM 505 O GLU B 13 -3.218 0.407 -16.573 1.00 25.00 O ATOM 506 CB GLU B 13 -1.702 -2.349 -17.512 1.00 25.00 C ATOM 507 CG GLU B 13 -0.743 -2.697 -18.628 1.00 25.00 C ATOM 508 CD GLU B 13 -0.894 -4.121 -19.078 1.00 25.00 C ATOM 509 OE1 GLU B 13 -0.289 -5.044 -18.609 1.00 25.00 O ATOM 510 OE2 GLU B 13 -1.766 -4.269 -20.008 1.00 25.00 O ATOM 0 H GLU B 13 0.003 -2.271 -15.739 1.00 25.00 H new ATOM 0 HA GLU B 13 -0.997 -0.310 -17.480 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.721 -3.170 -16.795 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.707 -2.263 -17.925 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -0.913 -2.030 -19.473 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.280 -2.530 -18.292 1.00 25.00 H new ATOM 518 N ALA B 14 -3.006 -1.119 -14.978 1.00 25.00 N ATOM 519 CA ALA B 14 -4.188 -0.651 -14.263 1.00 25.00 C ATOM 520 C ALA B 14 -4.010 0.791 -13.811 1.00 25.00 C ATOM 521 O ALA B 14 -4.916 1.603 -13.969 1.00 25.00 O ATOM 522 CB ALA B 14 -4.470 -1.554 -13.088 1.00 25.00 C ATOM 0 H ALA B 14 -2.531 -1.913 -14.548 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.042 -0.684 -14.939 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.354 -1.198 -12.559 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.644 -2.570 -13.443 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.616 -1.548 -12.411 1.00 25.00 H new ATOM 528 N LEU B 15 -2.832 1.106 -13.296 1.00 25.00 N ATOM 529 CA LEU B 15 -2.511 2.469 -12.871 1.00 25.00 C ATOM 530 C LEU B 15 -2.548 3.434 -14.054 1.00 25.00 C ATOM 531 O LEU B 15 -3.048 4.552 -13.946 1.00 25.00 O ATOM 532 CB LEU B 15 -1.130 2.506 -12.213 1.00 25.00 C ATOM 533 CG LEU B 15 -1.141 2.578 -10.679 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.244 2.288 -10.135 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.601 3.957 -10.198 1.00 25.00 C ATOM 0 H LEU B 15 -2.075 0.436 -13.160 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.263 2.783 -12.147 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.577 1.617 -12.516 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.584 3.368 -12.598 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.842 1.829 -10.311 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.226 2.341 -9.046 1.00 25.00 H new ATOM 0 HD12 LEU B 15 0.555 1.290 -10.444 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.949 3.024 -10.523 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.600 3.981 -9.108 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.922 4.720 -10.579 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.609 4.153 -10.564 1.00 25.00 H new ATOM 547 N TYR B 16 -2.079 2.990 -15.203 1.00 25.00 N ATOM 548 CA TYR B 16 -2.152 3.806 -16.408 1.00 25.00 C ATOM 549 C TYR B 16 -3.601 4.039 -16.825 1.00 25.00 C ATOM 550 O TYR B 16 -3.961 5.137 -17.228 1.00 25.00 O ATOM 551 CB TYR B 16 -1.394 3.142 -17.555 1.00 25.00 C ATOM 552 CG TYR B 16 -1.571 3.878 -18.857 1.00 25.00 C ATOM 553 CD1 TYR B 16 -0.859 5.067 -19.117 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.483 3.411 -19.833 1.00 25.00 C ATOM 555 CE1 TYR B 16 -1.049 5.781 -20.333 1.00 25.00 C ATOM 556 CE2 TYR B 16 -2.670 4.124 -21.050 1.00 25.00 C ATOM 557 CZ TYR B 16 -1.955 5.302 -21.281 1.00 25.00 C ATOM 558 OH TYR B 16 -2.153 5.988 -22.449 1.00 25.00 O ATOM 0 H TYR B 16 -1.645 2.076 -15.332 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.692 4.768 -16.182 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.333 3.095 -17.308 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.740 2.115 -17.670 1.00 25.00 H new ATOM 0 HD1 TYR B 16 -0.160 5.441 -18.383 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.042 2.505 -19.652 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -0.495 6.689 -20.522 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.362 3.756 -21.793 1.00 25.00 H new ATOM 0 HH TYR B 16 -2.815 5.517 -22.997 1.00 25.00 H new ATOM 568 N LEU B 17 -4.446 3.029 -16.726 1.00 25.00 N ATOM 569 CA LEU B 17 -5.830 3.178 -17.166 1.00 25.00 C ATOM 570 C LEU B 17 -6.593 4.124 -16.246 1.00 25.00 C ATOM 571 O LEU B 17 -7.384 4.933 -16.710 1.00 25.00 O ATOM 572 CB LEU B 17 -6.512 1.795 -17.228 1.00 25.00 C ATOM 573 CG LEU B 17 -5.938 0.854 -18.305 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.317 -0.600 -18.001 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.418 1.227 -19.700 1.00 25.00 C ATOM 0 H LEU B 17 -4.209 2.110 -16.352 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.836 3.614 -18.165 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.420 1.313 -16.255 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.577 1.936 -17.415 1.00 25.00 H new ATOM 0 HG LEU B 17 -4.854 0.962 -18.282 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -5.904 -1.252 -18.771 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -5.914 -0.885 -17.029 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.403 -0.698 -17.987 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -5.990 0.538 -20.428 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.506 1.166 -19.739 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -6.103 2.244 -19.933 1.00 25.00 H new ATOM 587 N VAL B 18 -6.339 4.059 -14.948 1.00 25.00 N ATOM 588 CA VAL B 18 -7.033 4.953 -14.019 1.00 25.00 C ATOM 589 C VAL B 18 -6.448 6.377 -13.992 1.00 25.00 C ATOM 590 O VAL B 18 -7.196 7.344 -13.842 1.00 25.00 O ATOM 591 CB VAL B 18 -7.109 4.337 -12.570 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.748 4.081 -11.993 1.00 25.00 C ATOM 593 CG2 VAL B 18 -7.908 5.230 -11.624 1.00 25.00 C ATOM 0 H VAL B 18 -5.675 3.415 -14.517 1.00 25.00 H new ATOM 0 HA VAL B 18 -8.050 5.050 -14.400 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.622 3.381 -12.671 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.850 3.657 -10.994 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -5.208 3.381 -12.631 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.196 5.019 -11.934 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -7.940 4.775 -10.634 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.432 6.208 -11.558 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -8.923 5.345 -12.003 1.00 25.00 H new ATOM 603 N CYS B 19 -5.138 6.510 -14.127 1.00 25.00 N ATOM 604 CA CYS B 19 -4.474 7.814 -14.008 1.00 25.00 C ATOM 605 C CYS B 19 -3.694 8.304 -15.219 1.00 25.00 C ATOM 606 O CYS B 19 -3.708 9.483 -15.526 1.00 25.00 O ATOM 607 CB CYS B 19 -3.503 7.747 -12.852 1.00 25.00 C ATOM 608 SG CYS B 19 -4.257 8.084 -11.234 1.00 25.00 S ATOM 0 H CYS B 19 -4.506 5.733 -14.320 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.291 8.524 -13.878 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.048 6.757 -12.830 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.700 8.464 -13.023 1.00 25.00 H new ATOM 613 N GLY B 20 -3.005 7.413 -15.914 1.00 25.00 N ATOM 614 CA GLY B 20 -2.210 7.827 -17.065 1.00 25.00 C ATOM 615 C GLY B 20 -3.071 8.372 -18.188 1.00 25.00 C ATOM 616 O GLY B 20 -2.673 9.291 -18.885 1.00 25.00 O ATOM 0 H GLY B 20 -2.978 6.414 -15.708 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.494 8.589 -16.755 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.633 6.978 -17.431 1.00 25.00 H new ATOM 620 N GLU B 21 -4.281 7.851 -18.309 1.00 25.00 N ATOM 621 CA GLU B 21 -5.247 8.335 -19.304 1.00 25.00 C ATOM 622 C GLU B 21 -6.038 9.549 -18.781 1.00 25.00 C ATOM 623 O GLU B 21 -6.917 10.066 -19.458 1.00 25.00 O ATOM 624 CB GLU B 21 -6.212 7.207 -19.684 1.00 25.00 C ATOM 625 CG GLU B 21 -5.508 6.030 -20.346 1.00 25.00 C ATOM 626 CD GLU B 21 -6.471 5.019 -20.890 1.00 25.00 C ATOM 627 OE1 GLU B 21 -7.367 4.545 -20.263 1.00 25.00 O ATOM 628 OE2 GLU B 21 -6.227 4.682 -22.106 1.00 25.00 O ATOM 0 H GLU B 21 -4.627 7.087 -17.729 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.690 8.653 -20.185 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.729 6.860 -18.789 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.973 7.597 -20.360 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.876 6.397 -21.155 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.851 5.549 -19.621 1.00 25.00 H new ATOM 636 N ARG B 22 -5.726 9.975 -17.563 1.00 25.00 N ATOM 637 CA ARG B 22 -6.403 11.099 -16.913 1.00 25.00 C ATOM 638 C ARG B 22 -5.480 12.309 -16.828 1.00 25.00 C ATOM 639 O ARG B 22 -5.908 13.445 -16.989 1.00 25.00 O ATOM 640 CB ARG B 22 -6.834 10.671 -15.533 1.00 25.00 C ATOM 641 CG ARG B 22 -7.893 11.561 -14.959 1.00 25.00 C ATOM 642 CD ARG B 22 -8.201 11.118 -13.569 1.00 25.00 C ATOM 643 NE ARG B 22 -8.742 9.753 -13.538 1.00 25.00 N ATOM 644 CZ ARG B 22 -10.023 9.414 -13.607 1.00 25.00 C ATOM 645 NH1 ARG B 22 -10.984 10.300 -13.699 1.00 25.00 N ATOM 646 NH2 ARG B 22 -10.338 8.148 -13.595 1.00 25.00 N ATOM 0 H ARG B 22 -4.994 9.551 -16.993 1.00 25.00 H new ATOM 0 HA ARG B 22 -7.275 11.386 -17.501 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -7.207 9.648 -15.574 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.968 10.668 -14.870 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.553 12.597 -14.957 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -8.792 11.521 -15.574 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -7.295 11.164 -12.964 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -8.919 11.804 -13.120 1.00 25.00 H new ATOM 0 HE ARG B 22 -8.068 8.992 -13.455 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.760 11.295 -13.720 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -11.956 9.995 -13.750 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -9.606 7.441 -13.533 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -11.317 7.865 -13.647 1.00 25.00 H new ATOM 660 N GLY B 23 -4.205 12.041 -16.576 1.00 25.00 N ATOM 661 CA GLY B 23 -3.195 13.073 -16.450 1.00 25.00 C ATOM 662 C GLY B 23 -2.319 12.793 -15.247 1.00 25.00 C ATOM 663 O GLY B 23 -2.801 12.794 -14.121 1.00 25.00 O ATOM 0 H GLY B 23 -3.845 11.095 -16.453 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -2.586 13.110 -17.353 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -3.670 14.048 -16.346 1.00 25.00 H new ATOM 667 N GLY B 24 -1.031 12.572 -15.487 1.00 25.00 N ATOM 668 CA GLY B 24 -0.098 12.308 -14.402 1.00 25.00 C ATOM 669 C GLY B 24 0.175 10.827 -14.184 1.00 25.00 C ATOM 670 O GLY B 24 -0.669 10.088 -13.673 1.00 25.00 O ATOM 0 H GLY B 24 -0.613 12.571 -16.417 1.00 25.00 H new ATOM 0 HA2 GLY B 24 0.843 12.816 -14.611 1.00 25.00 H new ATOM 0 HA3 GLY B 24 -0.494 12.736 -13.481 1.00 25.00 H new ATOM 674 N PHE B 25 1.372 10.400 -14.549 1.00 25.00 N ATOM 675 CA PHE B 25 1.810 9.025 -14.345 1.00 25.00 C ATOM 676 C PHE B 25 3.334 9.058 -14.343 1.00 25.00 C ATOM 677 O PHE B 25 3.920 9.996 -14.865 1.00 25.00 O ATOM 678 CB PHE B 25 1.276 8.123 -15.461 1.00 25.00 C ATOM 679 CG PHE B 25 1.441 6.649 -15.187 1.00 25.00 C ATOM 680 CD1 PHE B 25 1.196 6.122 -13.902 1.00 25.00 C ATOM 681 CD2 PHE B 25 1.843 5.772 -16.215 1.00 25.00 C ATOM 682 CE1 PHE B 25 1.365 4.747 -13.644 1.00 25.00 C ATOM 683 CE2 PHE B 25 2.009 4.389 -15.959 1.00 25.00 C ATOM 684 CZ PHE B 25 1.769 3.881 -14.673 1.00 25.00 C ATOM 0 H PHE B 25 2.070 10.995 -14.996 1.00 25.00 H new ATOM 0 HA PHE B 25 1.431 8.619 -13.407 1.00 25.00 H new ATOM 0 HB2 PHE B 25 0.218 8.338 -15.614 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.789 8.369 -16.391 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.875 6.779 -13.107 1.00 25.00 H new ATOM 0 HD2 PHE B 25 2.026 6.158 -17.207 1.00 25.00 H new ATOM 0 HE1 PHE B 25 1.183 4.358 -12.653 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.320 3.726 -16.753 1.00 25.00 H new ATOM 0 HZ PHE B 25 1.895 2.827 -14.475 1.00 25.00 H new ATOM 694 N TYR B 26 3.966 8.071 -13.717 1.00 25.00 N ATOM 695 CA TYR B 26 5.426 8.037 -13.584 1.00 25.00 C ATOM 696 C TYR B 26 6.069 7.154 -14.658 1.00 25.00 C ATOM 697 O TYR B 26 7.283 7.036 -14.727 1.00 25.00 O ATOM 698 CB TYR B 26 5.806 7.516 -12.194 1.00 25.00 C ATOM 699 CG TYR B 26 5.304 6.115 -11.935 1.00 25.00 C ATOM 700 CD1 TYR B 26 6.078 4.998 -12.301 1.00 25.00 C ATOM 701 CD2 TYR B 26 4.048 5.894 -11.326 1.00 25.00 C ATOM 702 CE1 TYR B 26 5.602 3.684 -12.076 1.00 25.00 C ATOM 703 CE2 TYR B 26 3.573 4.582 -11.105 1.00 25.00 C ATOM 704 CZ TYR B 26 4.356 3.486 -11.483 1.00 25.00 C ATOM 705 OH TYR B 26 3.907 2.204 -11.283 1.00 25.00 O ATOM 0 H TYR B 26 3.490 7.277 -13.290 1.00 25.00 H new ATOM 0 HA TYR B 26 5.799 9.053 -13.715 1.00 25.00 H new ATOM 0 HB2 TYR B 26 6.891 7.533 -12.089 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.402 8.187 -11.437 1.00 25.00 H new ATOM 0 HD1 TYR B 26 7.045 5.145 -12.758 1.00 25.00 H new ATOM 0 HD2 TYR B 26 3.444 6.738 -11.026 1.00 25.00 H new ATOM 0 HE1 TYR B 26 6.204 2.835 -12.364 1.00 25.00 H new ATOM 0 HE2 TYR B 26 2.608 4.426 -10.646 1.00 25.00 H new ATOM 0 HH TYR B 26 3.024 2.229 -10.859 1.00 25.00 H new HETATM 715 N NVA B 27 5.191 6.518 -15.472 1.00 25.00 N HETATM 716 CA NVA B 27 5.481 5.634 -16.652 1.00 25.00 C HETATM 717 CB NVA B 27 5.145 6.380 -17.992 1.00 25.00 C HETATM 718 CG NVA B 27 4.535 5.408 -19.055 1.00 25.00 C HETATM 719 CD NVA B 27 4.895 5.776 -20.533 1.00 25.00 C HETATM 720 C NVA B 27 6.921 4.968 -16.676 1.00 25.00 C HETATM 721 O NVA B 27 7.875 5.538 -17.178 1.00 25.00 O HETATM 0 HG3 NVA B 27 4.882 4.396 -18.848 1.00 25.00 H new HETATM 0 HG2 NVA B 27 3.450 5.401 -18.947 1.00 25.00 H new HETATM 0 HD3 NVA B 27 4.524 6.775 -20.760 1.00 25.00 H new HETATM 0 HD1 NVA B 27 4.435 5.056 -21.210 1.00 25.00 H new HETATM 0 HB3 NVA B 27 4.442 7.189 -17.792 1.00 25.00 H new HETATM 0 HB2 NVA B 27 6.051 6.836 -18.392 1.00 25.00 H new HETATM 0 HA NVA B 27 4.815 4.778 -16.541 1.00 25.00 H new ATOM 730 N PRO B 28 7.086 3.692 -16.135 1.00 25.00 N ATOM 731 CA PRO B 28 8.391 3.006 -16.115 1.00 25.00 C ATOM 732 C PRO B 28 8.730 2.332 -17.459 1.00 25.00 C ATOM 733 O PRO B 28 8.644 1.111 -17.606 1.00 25.00 O ATOM 734 CB PRO B 28 8.210 1.986 -14.991 1.00 25.00 C ATOM 735 CG PRO B 28 6.763 1.603 -15.086 1.00 25.00 C ATOM 736 CD PRO B 28 6.028 2.868 -15.505 1.00 25.00 C ATOM 0 HA PRO B 28 9.226 3.688 -15.955 1.00 25.00 H new ATOM 0 HB2 PRO B 28 8.862 1.123 -15.125 1.00 25.00 H new ATOM 0 HB3 PRO B 28 8.447 2.416 -14.018 1.00 25.00 H new ATOM 0 HG2 PRO B 28 6.616 0.806 -15.814 1.00 25.00 H new ATOM 0 HG3 PRO B 28 6.392 1.233 -14.130 1.00 25.00 H new ATOM 0 HD2 PRO B 28 5.220 2.650 -16.204 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.581 3.374 -14.649 1.00 25.00 H new HETATM 744 N HIX B 29 9.087 3.166 -18.450 1.00 25.00 N HETATM 745 CA HIX B 29 9.375 2.768 -19.856 1.00 25.00 C HETATM 746 C HIX B 29 10.519 1.758 -19.980 1.00 25.00 C HETATM 747 O HIX B 29 11.695 2.052 -19.878 1.00 25.00 O HETATM 748 CB HIX B 29 9.589 4.015 -20.766 1.00 25.00 C HETATM 749 CG HIX B 29 8.237 4.586 -21.119 1.00 25.00 C HETATM 750 CD2 HIX B 29 7.247 4.889 -20.222 1.00 25.00 C HETATM 751 ND1 HIX B 29 7.724 4.892 -22.355 1.00 25.00 N HETATM 752 NE1 HIX B 29 6.410 5.388 -22.350 1.00 25.00 N HETATM 753 NE2 HIX B 29 6.221 5.345 -20.965 1.00 25.00 N ATOM 760 N THR B 30 10.104 0.499 -20.240 1.00 25.00 N ATOM 761 CA THR B 30 10.968 -0.690 -20.450 1.00 25.00 C ATOM 762 C THR B 30 10.272 -1.694 -21.361 1.00 25.00 C ATOM 763 O THR B 30 9.179 -2.177 -21.163 1.00 25.00 O ATOM 764 CB THR B 30 11.362 -1.374 -19.121 1.00 25.00 C ATOM 765 OG1 THR B 30 10.300 -1.255 -18.180 1.00 25.00 O ATOM 766 CG2 THR B 30 12.624 -0.766 -18.491 1.00 25.00 C ATOM 767 OXT THR B 30 10.949 -1.985 -22.420 1.00 25.00 O ATOM 0 H THR B 30 9.113 0.270 -20.313 1.00 25.00 H new ATOM 0 HA THR B 30 11.885 -0.338 -20.922 1.00 25.00 H new ATOM 0 HB THR B 30 11.565 -2.418 -19.360 1.00 25.00 H new ATOM 0 HG1 THR B 30 10.556 -1.692 -17.341 1.00 25.00 H new ATOM 0 HG21 THR B 30 12.853 -1.286 -17.561 1.00 25.00 H new ATOM 0 HG22 THR B 30 13.462 -0.871 -19.181 1.00 25.00 H new ATOM 0 HG23 THR B 30 12.454 0.291 -18.284 1.00 25.00 H new TER 776 THR B 30