USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 379 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 26 NVA HD2 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD NoAdj-H: B 26 NVA H : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: B 4 GLN : amide:sc= -0.32 K(o=-0.34,f=-1.4) USER MOD Set 1.2: B 10 HIS : no HD1:sc= -0.0212 X(o=-0.34,f=-0.78) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.547 USER MOD Set 2.2: A 15 GLN : amide:sc= 0.587 X(o=1.1,f=0.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0737 K(o=-0.074,f=-2.3!) USER MOD Single : A 8 THR OG1 : rot -35:sc= 0.0718 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0557 K(o=-0.056,f=-1.6!) USER MOD Single : A 19 TYR OH : rot 149:sc= 0.0235 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.0622 X(o=0.062,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.193 K(o=0.19,f=-3.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00185 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : B 30 THR OG1 : rot -79:sc= 0.00104 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.124 2.307 -0.907 1.00 25.00 N ATOM 2 CA GLY A 1 1.805 1.177 -1.882 1.00 25.00 C ATOM 3 C GLY A 1 0.955 1.502 -3.157 1.00 25.00 C ATOM 4 O GLY A 1 -0.244 1.662 -3.137 1.00 25.00 O ATOM 0 H1 GLY A 1 2.691 1.935 -0.118 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.661 3.049 -1.399 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.238 2.708 -0.538 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.751 0.751 -2.215 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.283 0.398 -1.326 1.00 25.00 H new ATOM 9 N ILE A 2 1.603 1.435 -4.310 1.00 25.00 N ATOM 10 CA ILE A 2 0.949 1.577 -5.621 1.00 25.00 C ATOM 11 C ILE A 2 0.158 0.309 -6.034 1.00 25.00 C ATOM 12 O ILE A 2 -0.803 0.380 -6.751 1.00 25.00 O ATOM 13 CB ILE A 2 1.967 2.100 -6.725 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.241 2.971 -7.759 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.718 0.919 -7.380 1.00 25.00 C ATOM 16 CD1 ILE A 2 0.838 4.397 -7.287 1.00 25.00 C ATOM 0 H ILE A 2 2.609 1.279 -4.373 1.00 25.00 H new ATOM 0 HA ILE A 2 0.188 2.352 -5.528 1.00 25.00 H new ATOM 0 HB ILE A 2 2.716 2.728 -6.243 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.880 3.068 -8.636 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.340 2.447 -8.077 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.409 1.300 -8.132 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.275 0.374 -6.618 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.000 0.249 -7.853 1.00 25.00 H new ATOM 0 HD11 ILE A 2 0.333 4.920 -8.099 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.167 4.321 -6.431 1.00 25.00 H new ATOM 0 HD13 ILE A 2 1.731 4.951 -6.999 1.00 25.00 H new ATOM 28 N VAL A 3 0.517 -0.861 -5.519 1.00 25.00 N ATOM 29 CA VAL A 3 -0.237 -2.106 -5.801 1.00 25.00 C ATOM 30 C VAL A 3 -1.700 -1.910 -5.405 1.00 25.00 C ATOM 31 O VAL A 3 -2.589 -2.117 -6.222 1.00 25.00 O ATOM 32 CB VAL A 3 0.394 -3.332 -5.065 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.578 -4.597 -5.194 1.00 25.00 C ATOM 34 CG2 VAL A 3 1.727 -3.672 -5.695 1.00 25.00 C ATOM 0 H VAL A 3 1.321 -0.988 -4.904 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.185 -2.319 -6.869 1.00 25.00 H new ATOM 0 HB VAL A 3 0.535 -3.081 -4.014 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.135 -5.450 -4.680 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -1.542 -4.362 -4.743 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -0.719 -4.841 -6.247 1.00 25.00 H new ATOM 0 HG21 VAL A 3 2.165 -4.527 -5.180 1.00 25.00 H new ATOM 0 HG22 VAL A 3 1.580 -3.918 -6.747 1.00 25.00 H new ATOM 0 HG23 VAL A 3 2.397 -2.816 -5.612 1.00 25.00 H new ATOM 44 N GLU A 4 -1.937 -1.369 -4.225 1.00 25.00 N ATOM 45 CA GLU A 4 -3.306 -1.043 -3.767 1.00 25.00 C ATOM 46 C GLU A 4 -4.001 -0.146 -4.824 1.00 25.00 C ATOM 47 O GLU A 4 -5.095 -0.448 -5.223 1.00 25.00 O ATOM 48 CB GLU A 4 -3.246 -0.318 -2.384 1.00 25.00 C ATOM 49 CG GLU A 4 -3.172 -1.282 -1.146 1.00 25.00 C ATOM 50 CD GLU A 4 -1.809 -1.887 -0.982 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.866 -1.638 -1.698 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.691 -2.681 0.055 1.00 25.00 O ATOM 0 H GLU A 4 -1.206 -1.139 -3.552 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.881 -1.961 -3.649 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.376 0.339 -2.370 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -4.126 0.317 -2.282 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.435 -0.732 -0.243 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.909 -2.077 -1.261 1.00 25.00 H new ATOM 60 N GLN A 5 -3.393 0.950 -5.252 1.00 25.00 N ATOM 61 CA GLN A 5 -4.021 1.874 -6.214 1.00 25.00 C ATOM 62 C GLN A 5 -4.352 1.244 -7.614 1.00 25.00 C ATOM 63 O GLN A 5 -5.380 1.545 -8.203 1.00 25.00 O ATOM 64 CB GLN A 5 -3.137 3.123 -6.389 1.00 25.00 C ATOM 65 CG GLN A 5 -2.864 3.841 -5.083 1.00 25.00 C ATOM 66 CD GLN A 5 -2.260 5.241 -5.342 1.00 25.00 C ATOM 67 OE1 GLN A 5 -2.251 5.682 -6.459 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.761 5.909 -4.324 1.00 25.00 N ATOM 0 H GLN A 5 -2.460 1.232 -4.952 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.986 2.139 -5.783 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.190 2.831 -6.842 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.622 3.811 -7.081 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.790 3.939 -4.516 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.178 3.251 -4.475 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.785 5.505 -3.388 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -1.350 6.831 -4.471 1.00 25.00 H new ATOM 77 N CYS A 6 -3.514 0.335 -8.078 1.00 25.00 N ATOM 78 CA CYS A 6 -3.716 -0.349 -9.379 1.00 25.00 C ATOM 79 C CYS A 6 -4.826 -1.410 -9.260 1.00 25.00 C ATOM 80 O CYS A 6 -5.519 -1.738 -10.257 1.00 25.00 O ATOM 81 CB CYS A 6 -2.377 -0.945 -9.769 1.00 25.00 C ATOM 82 SG CYS A 6 -2.167 -1.237 -11.559 1.00 25.00 S ATOM 0 H CYS A 6 -2.674 0.039 -7.581 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.048 0.342 -10.154 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.585 -0.279 -9.427 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.248 -1.891 -9.242 1.00 25.00 H new ATOM 87 N CYS A 7 -4.999 -1.910 -8.044 1.00 25.00 N ATOM 88 CA CYS A 7 -6.009 -2.895 -7.688 1.00 25.00 C ATOM 89 C CYS A 7 -7.363 -2.299 -7.340 1.00 25.00 C ATOM 90 O CYS A 7 -8.392 -2.787 -7.749 1.00 25.00 O ATOM 91 CB CYS A 7 -5.500 -3.689 -6.470 1.00 25.00 C ATOM 92 SG CYS A 7 -6.482 -5.165 -6.034 1.00 25.00 S ATOM 0 H CYS A 7 -4.420 -1.631 -7.252 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.160 -3.523 -8.566 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.473 -4.000 -6.663 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.474 -3.023 -5.608 1.00 25.00 H new ATOM 97 N THR A 8 -7.400 -1.301 -6.436 1.00 25.00 N ATOM 98 CA THR A 8 -8.652 -0.836 -5.909 1.00 25.00 C ATOM 99 C THR A 8 -9.263 0.190 -6.817 1.00 25.00 C ATOM 100 O THR A 8 -10.490 0.413 -6.750 1.00 25.00 O ATOM 101 CB THR A 8 -8.490 -0.237 -4.498 1.00 25.00 C ATOM 102 OG1 THR A 8 -9.781 -0.141 -3.867 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.900 1.160 -4.512 1.00 25.00 C ATOM 0 H THR A 8 -6.577 -0.821 -6.073 1.00 25.00 H new ATOM 0 HA THR A 8 -9.311 -1.702 -5.843 1.00 25.00 H new ATOM 0 HB THR A 8 -7.812 -0.900 -3.960 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.460 0.067 -4.542 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.811 1.528 -3.490 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.914 1.134 -4.976 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.551 1.824 -5.081 1.00 25.00 H new ATOM 111 N SER A 9 -8.443 0.759 -7.704 1.00 25.00 N ATOM 112 CA SER A 9 -8.915 1.695 -8.706 1.00 25.00 C ATOM 113 C SER A 9 -8.505 1.091 -10.029 1.00 25.00 C ATOM 114 O SER A 9 -7.866 0.032 -10.006 1.00 25.00 O ATOM 115 CB SER A 9 -8.331 3.081 -8.510 1.00 25.00 C ATOM 116 OG SER A 9 -8.992 4.024 -9.338 1.00 25.00 O ATOM 0 H SER A 9 -7.440 0.580 -7.741 1.00 25.00 H new ATOM 0 HA SER A 9 -9.994 1.839 -8.645 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.426 3.377 -7.465 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.266 3.069 -8.742 1.00 25.00 H new ATOM 0 HG SER A 9 -8.603 4.912 -9.197 1.00 25.00 H new ATOM 122 N ILE A 10 -8.903 1.673 -11.141 1.00 25.00 N ATOM 123 CA ILE A 10 -8.581 1.141 -12.474 1.00 25.00 C ATOM 124 C ILE A 10 -7.252 1.768 -12.973 1.00 25.00 C ATOM 125 O ILE A 10 -7.080 2.964 -13.009 1.00 25.00 O ATOM 126 CB ILE A 10 -9.809 1.392 -13.444 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.970 0.444 -13.018 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.461 1.204 -14.926 1.00 25.00 C ATOM 129 CD1 ILE A 10 -12.240 0.527 -13.893 1.00 25.00 C ATOM 0 H ILE A 10 -9.459 2.528 -11.160 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.421 0.063 -12.442 1.00 25.00 H new ATOM 0 HB ILE A 10 -10.110 2.435 -13.349 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.604 -0.583 -13.033 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.243 0.670 -11.987 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.346 1.391 -15.534 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.674 1.904 -15.206 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.116 0.184 -15.092 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.988 -0.170 -13.515 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -12.639 1.541 -13.860 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -11.990 0.269 -14.922 1.00 25.00 H new ATOM 141 N CYS A 11 -6.327 0.892 -13.354 1.00 25.00 N ATOM 142 CA CYS A 11 -4.997 1.274 -13.844 1.00 25.00 C ATOM 143 C CYS A 11 -4.999 1.639 -15.340 1.00 25.00 C ATOM 144 O CYS A 11 -5.951 1.297 -16.057 1.00 25.00 O ATOM 145 CB CYS A 11 -4.031 0.130 -13.585 1.00 25.00 C ATOM 146 SG CYS A 11 -2.734 0.514 -12.382 1.00 25.00 S ATOM 0 H CYS A 11 -6.477 -0.117 -13.333 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.684 2.168 -13.305 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.594 -0.734 -13.232 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.564 -0.157 -14.527 1.00 25.00 H new ATOM 151 N SER A 12 -3.915 2.240 -15.826 1.00 25.00 N ATOM 152 CA SER A 12 -3.801 2.626 -17.254 1.00 25.00 C ATOM 153 C SER A 12 -2.409 2.289 -17.787 1.00 25.00 C ATOM 154 O SER A 12 -1.513 2.006 -17.003 1.00 25.00 O ATOM 155 CB SER A 12 -4.064 4.129 -17.406 1.00 25.00 C ATOM 156 OG SER A 12 -4.915 4.614 -16.377 1.00 25.00 O ATOM 0 H SER A 12 -3.098 2.475 -15.263 1.00 25.00 H new ATOM 0 HA SER A 12 -4.541 2.068 -17.828 1.00 25.00 H new ATOM 0 HB2 SER A 12 -3.118 4.669 -17.382 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.518 4.324 -18.378 1.00 25.00 H new ATOM 0 HG SER A 12 -5.062 5.575 -16.500 1.00 25.00 H new ATOM 162 N LEU A 13 -2.199 2.384 -19.116 1.00 25.00 N ATOM 163 CA LEU A 13 -0.925 2.030 -19.740 1.00 25.00 C ATOM 164 C LEU A 13 0.231 2.823 -19.140 1.00 25.00 C ATOM 165 O LEU A 13 1.300 2.256 -18.918 1.00 25.00 O ATOM 166 CB LEU A 13 -0.962 2.295 -21.253 1.00 25.00 C ATOM 167 CG LEU A 13 -1.813 1.317 -22.091 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.192 1.896 -23.405 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.023 0.001 -22.229 1.00 25.00 C ATOM 0 H LEU A 13 -2.907 2.707 -19.775 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.769 0.968 -19.553 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.339 3.305 -21.416 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.060 2.272 -21.631 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.759 1.119 -21.586 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.790 1.174 -23.962 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.773 2.805 -23.248 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.291 2.134 -23.971 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.602 -0.711 -22.818 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.074 0.197 -22.727 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.834 -0.416 -21.240 1.00 25.00 H new ATOM 181 N TYR A 14 0.016 4.122 -18.962 1.00 25.00 N ATOM 182 CA TYR A 14 1.026 5.031 -18.500 1.00 25.00 C ATOM 183 C TYR A 14 1.402 4.660 -17.043 1.00 25.00 C ATOM 184 O TYR A 14 2.578 4.737 -16.675 1.00 25.00 O ATOM 185 CB TYR A 14 0.497 6.460 -18.530 1.00 25.00 C ATOM 186 CG TYR A 14 -0.598 6.667 -19.562 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.307 6.688 -20.938 1.00 25.00 C ATOM 188 CD2 TYR A 14 -1.932 6.793 -19.166 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.361 6.909 -21.924 1.00 25.00 C ATOM 190 CE2 TYR A 14 -3.006 6.944 -20.162 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.708 6.976 -21.506 1.00 25.00 C ATOM 192 OH TYR A 14 -3.680 7.168 -22.432 1.00 25.00 O ATOM 0 H TYR A 14 -0.884 4.567 -19.141 1.00 25.00 H new ATOM 0 HA TYR A 14 1.900 4.961 -19.147 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.113 6.720 -17.544 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.321 7.142 -18.741 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.710 6.539 -21.270 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -2.179 6.779 -18.115 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.111 7.021 -22.969 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -4.032 7.030 -19.837 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.554 7.190 -21.989 1.00 25.00 H new ATOM 202 N GLN A 15 0.386 4.305 -16.229 1.00 25.00 N ATOM 203 CA GLN A 15 0.607 3.956 -14.854 1.00 25.00 C ATOM 204 C GLN A 15 1.486 2.704 -14.789 1.00 25.00 C ATOM 205 O GLN A 15 2.452 2.705 -14.013 1.00 25.00 O ATOM 206 CB GLN A 15 -0.729 3.725 -14.150 1.00 25.00 C ATOM 207 CG GLN A 15 -1.672 4.907 -14.125 1.00 25.00 C ATOM 208 CD GLN A 15 -2.756 4.705 -13.135 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.513 4.557 -11.944 1.00 25.00 O ATOM 210 NE2 GLN A 15 -3.961 4.719 -13.590 1.00 25.00 N ATOM 0 H GLN A 15 -0.590 4.260 -16.523 1.00 25.00 H new ATOM 0 HA GLN A 15 1.118 4.772 -14.343 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -1.235 2.891 -14.636 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.529 3.422 -13.122 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -1.117 5.813 -13.882 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -2.103 5.053 -15.116 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -4.128 4.845 -14.588 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -4.748 4.605 -12.952 1.00 25.00 H new ATOM 219 N LEU A 16 1.203 1.702 -15.619 1.00 25.00 N ATOM 220 CA LEU A 16 2.000 0.492 -15.612 1.00 25.00 C ATOM 221 C LEU A 16 3.448 0.710 -16.169 1.00 25.00 C ATOM 222 O LEU A 16 4.382 0.109 -15.638 1.00 25.00 O ATOM 223 CB LEU A 16 1.295 -0.581 -16.443 1.00 25.00 C ATOM 224 CG LEU A 16 -0.137 -0.979 -16.010 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.844 -1.703 -17.144 1.00 25.00 C ATOM 226 CD2 LEU A 16 -0.116 -1.872 -14.749 1.00 25.00 C ATOM 0 H LEU A 16 0.438 1.709 -16.293 1.00 25.00 H new ATOM 0 HA LEU A 16 2.100 0.178 -14.573 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.253 -0.236 -17.476 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.914 -1.478 -16.432 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.680 -0.065 -15.769 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.850 -1.978 -16.828 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.903 -1.048 -18.013 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.287 -2.603 -17.405 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.137 -2.134 -14.471 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.448 -2.781 -14.956 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.356 -1.332 -13.928 1.00 25.00 H new ATOM 238 N GLU A 17 3.620 1.521 -17.191 1.00 25.00 N ATOM 239 CA GLU A 17 4.933 1.852 -17.734 1.00 25.00 C ATOM 240 C GLU A 17 5.777 2.613 -16.675 1.00 25.00 C ATOM 241 O GLU A 17 6.976 2.414 -16.599 1.00 25.00 O ATOM 242 CB GLU A 17 4.777 2.754 -19.012 1.00 25.00 C ATOM 243 CG GLU A 17 4.244 2.030 -20.274 1.00 25.00 C ATOM 244 CD GLU A 17 5.341 1.408 -21.089 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.585 1.758 -22.205 1.00 25.00 O ATOM 246 OE2 GLU A 17 6.046 0.541 -20.475 1.00 25.00 O ATOM 0 H GLU A 17 2.848 1.977 -17.678 1.00 25.00 H new ATOM 0 HA GLU A 17 5.439 0.924 -18.001 1.00 25.00 H new ATOM 0 HB2 GLU A 17 4.104 3.578 -18.775 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.747 3.192 -19.247 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.537 1.257 -19.973 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.696 2.741 -20.892 1.00 25.00 H new ATOM 254 N ASN A 18 5.132 3.379 -15.791 1.00 25.00 N ATOM 255 CA ASN A 18 5.814 4.017 -14.650 1.00 25.00 C ATOM 256 C ASN A 18 6.378 3.063 -13.596 1.00 25.00 C ATOM 257 O ASN A 18 7.157 3.491 -12.764 1.00 25.00 O ATOM 258 CB ASN A 18 4.836 5.013 -13.970 1.00 25.00 C ATOM 259 CG ASN A 18 4.814 6.387 -14.670 1.00 25.00 C ATOM 260 OD1 ASN A 18 5.734 6.748 -15.393 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.772 7.157 -14.456 1.00 25.00 N ATOM 0 H ASN A 18 4.132 3.576 -15.840 1.00 25.00 H new ATOM 0 HA ASN A 18 6.685 4.516 -15.075 1.00 25.00 H new ATOM 0 HB2 ASN A 18 3.831 4.591 -13.973 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.123 5.144 -12.927 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.718 8.076 -14.896 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.017 6.836 -13.850 1.00 25.00 H new ATOM 268 N TYR A 19 5.964 1.787 -13.632 1.00 25.00 N ATOM 269 CA TYR A 19 6.494 0.794 -12.670 1.00 25.00 C ATOM 270 C TYR A 19 7.769 0.159 -13.229 1.00 25.00 C ATOM 271 O TYR A 19 8.475 -0.580 -12.517 1.00 25.00 O ATOM 272 CB TYR A 19 5.460 -0.299 -12.366 1.00 25.00 C ATOM 273 CG TYR A 19 4.112 0.250 -11.892 1.00 25.00 C ATOM 274 CD1 TYR A 19 3.969 1.574 -11.402 1.00 25.00 C ATOM 275 CD2 TYR A 19 2.952 -0.561 -11.959 1.00 25.00 C ATOM 276 CE1 TYR A 19 2.705 2.053 -11.022 1.00 25.00 C ATOM 277 CE2 TYR A 19 1.699 -0.072 -11.610 1.00 25.00 C ATOM 278 CZ TYR A 19 1.579 1.233 -11.145 1.00 25.00 C ATOM 279 OH TYR A 19 0.354 1.676 -10.775 1.00 25.00 O ATOM 0 H TYR A 19 5.282 1.420 -14.296 1.00 25.00 H new ATOM 0 HA TYR A 19 6.720 1.314 -11.739 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.304 -0.900 -13.262 1.00 25.00 H new ATOM 0 HB3 TYR A 19 5.861 -0.965 -11.602 1.00 25.00 H new ATOM 0 HD1 TYR A 19 4.835 2.215 -11.321 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.044 -1.585 -12.290 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.602 3.056 -10.634 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.825 -0.701 -11.699 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.330 1.254 -11.336 1.00 25.00 H new ATOM 289 N CYS A 20 8.014 0.396 -14.498 1.00 25.00 N ATOM 290 CA CYS A 20 9.220 -0.053 -15.188 1.00 25.00 C ATOM 291 C CYS A 20 10.109 1.160 -15.412 1.00 25.00 C ATOM 292 O CYS A 20 9.749 2.283 -15.107 1.00 25.00 O ATOM 293 CB CYS A 20 8.838 -0.633 -16.546 1.00 25.00 C ATOM 294 SG CYS A 20 7.736 -2.056 -16.421 1.00 25.00 S ATOM 0 H CYS A 20 7.373 0.916 -15.098 1.00 25.00 H new ATOM 0 HA CYS A 20 9.734 -0.811 -14.597 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.356 0.141 -17.143 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.743 -0.927 -17.077 1.00 25.00 H new ATOM 299 N ASN A 21 11.267 0.984 -16.023 1.00 25.00 N ATOM 300 CA ASN A 21 12.107 2.127 -16.417 1.00 25.00 C ATOM 301 C ASN A 21 11.641 2.744 -17.751 1.00 25.00 C ATOM 302 O ASN A 21 11.777 2.178 -18.821 1.00 25.00 O ATOM 303 CB ASN A 21 13.607 1.741 -16.519 1.00 25.00 C ATOM 304 CG ASN A 21 14.396 2.986 -16.824 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.324 3.993 -16.225 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.339 2.844 -17.743 1.00 25.00 N ATOM 307 OXT ASN A 21 11.125 3.905 -17.650 1.00 25.00 O ATOM 0 H ASN A 21 11.655 0.071 -16.261 1.00 25.00 H new ATOM 0 HA ASN A 21 11.996 2.871 -15.628 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.948 1.294 -15.585 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.755 0.997 -17.301 1.00 25.00 H new ATOM 0 HD21 ASN A 21 15.993 3.605 -17.924 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.411 1.973 -18.270 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.567 -2.245 -25.733 1.00 25.00 N ATOM 317 CA PHE B 1 -5.542 -2.364 -24.246 1.00 25.00 C ATOM 318 C PHE B 1 -6.875 -2.163 -23.595 1.00 25.00 C ATOM 319 O PHE B 1 -7.762 -1.462 -24.050 1.00 25.00 O ATOM 320 CB PHE B 1 -4.559 -1.375 -23.675 1.00 25.00 C ATOM 321 CG PHE B 1 -4.252 -1.584 -22.197 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.264 -2.508 -21.838 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.895 -0.827 -21.220 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.909 -2.683 -20.471 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.556 -0.991 -19.873 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.575 -1.922 -19.518 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.609 -2.396 -26.110 1.00 25.00 H new ATOM 0 H2 PHE B 1 -6.211 -2.960 -26.128 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.898 -1.296 -26.000 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.242 -3.389 -24.031 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.629 -1.436 -24.240 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.951 -0.368 -23.815 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.769 -3.090 -22.601 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.655 -0.114 -21.503 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.143 -3.388 -20.182 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -5.048 -0.403 -19.113 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.328 -2.053 -18.475 1.00 25.00 H new ATOM 337 N VAL B 2 -7.004 -2.869 -22.451 1.00 25.00 N ATOM 338 CA VAL B 2 -8.285 -2.822 -21.728 1.00 25.00 C ATOM 339 C VAL B 2 -8.053 -2.316 -20.317 1.00 25.00 C ATOM 340 O VAL B 2 -7.253 -2.884 -19.571 1.00 25.00 O ATOM 341 CB VAL B 2 -9.080 -4.206 -21.787 1.00 25.00 C ATOM 342 CG1 VAL B 2 -8.159 -5.407 -21.438 1.00 25.00 C ATOM 343 CG2 VAL B 2 -10.275 -4.166 -20.885 1.00 25.00 C ATOM 0 H VAL B 2 -6.278 -3.448 -22.029 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.943 -2.114 -22.232 1.00 25.00 H new ATOM 0 HB VAL B 2 -9.427 -4.348 -22.810 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -8.733 -6.332 -21.488 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.335 -5.452 -22.150 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -7.762 -5.280 -20.431 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -10.804 -5.118 -20.939 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -9.951 -3.988 -19.860 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.941 -3.363 -21.199 1.00 25.00 H new ATOM 353 N ASN B 3 -8.700 -1.218 -19.973 1.00 25.00 N ATOM 354 CA ASN B 3 -8.586 -0.652 -18.648 1.00 25.00 C ATOM 355 C ASN B 3 -9.424 -1.459 -17.660 1.00 25.00 C ATOM 356 O ASN B 3 -10.650 -1.657 -17.826 1.00 25.00 O ATOM 357 CB ASN B 3 -9.026 0.801 -18.688 1.00 25.00 C ATOM 358 CG ASN B 3 -8.136 1.597 -19.574 1.00 25.00 C ATOM 359 OD1 ASN B 3 -8.428 1.806 -20.722 1.00 25.00 O ATOM 360 ND2 ASN B 3 -7.041 2.023 -19.055 1.00 25.00 N ATOM 0 H ASN B 3 -9.314 -0.699 -20.601 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.549 -0.693 -18.314 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -10.054 0.865 -19.045 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -9.012 1.218 -17.681 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -6.383 2.559 -19.621 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.829 1.825 -18.077 1.00 25.00 H new ATOM 367 N GLN B 4 -8.764 -1.945 -16.603 1.00 25.00 N ATOM 368 CA GLN B 4 -9.434 -2.772 -15.579 1.00 25.00 C ATOM 369 C GLN B 4 -8.679 -2.577 -14.287 1.00 25.00 C ATOM 370 O GLN B 4 -7.629 -1.927 -14.244 1.00 25.00 O ATOM 371 CB GLN B 4 -9.390 -4.272 -15.966 1.00 25.00 C ATOM 372 CG GLN B 4 -8.010 -4.791 -16.384 1.00 25.00 C ATOM 373 CD GLN B 4 -8.050 -6.229 -16.800 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.857 -7.109 -15.990 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.358 -6.471 -18.005 1.00 25.00 N ATOM 0 H GLN B 4 -7.772 -1.784 -16.430 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.479 -2.476 -15.487 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.742 -4.861 -15.119 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.089 -4.441 -16.785 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.630 -4.186 -17.208 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.313 -4.674 -15.555 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.512 -5.701 -18.656 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.452 -7.435 -18.324 1.00 25.00 H new ATOM 384 N HIS B 5 -9.145 -3.256 -13.264 1.00 25.00 N ATOM 385 CA HIS B 5 -8.392 -3.363 -12.007 1.00 25.00 C ATOM 386 C HIS B 5 -7.346 -4.410 -12.282 1.00 25.00 C ATOM 387 O HIS B 5 -7.679 -5.476 -12.725 1.00 25.00 O ATOM 388 CB HIS B 5 -9.312 -3.799 -10.879 1.00 25.00 C ATOM 389 CG HIS B 5 -10.398 -2.780 -10.596 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.169 -1.565 -9.950 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.748 -2.792 -10.809 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.314 -0.964 -9.781 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.263 -1.669 -10.300 1.00 25.00 N ATOM 0 H HIS B 5 -10.039 -3.747 -13.264 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.951 -2.415 -11.699 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.771 -4.754 -11.136 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.724 -3.961 -9.975 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.259 -1.207 -9.659 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.303 -3.575 -11.304 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.449 -0.016 -9.281 1.00 25.00 H new ATOM 402 N LEU B 6 -6.084 -4.115 -12.010 1.00 25.00 N ATOM 403 CA LEU B 6 -5.042 -5.165 -12.101 1.00 25.00 C ATOM 404 C LEU B 6 -4.568 -5.477 -10.678 1.00 25.00 C ATOM 405 O LEU B 6 -4.302 -4.551 -9.929 1.00 25.00 O ATOM 406 CB LEU B 6 -3.797 -4.745 -12.938 1.00 25.00 C ATOM 407 CG LEU B 6 -3.842 -4.678 -14.471 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.409 -5.964 -15.145 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.664 -3.469 -14.906 1.00 25.00 C ATOM 0 H LEU B 6 -5.748 -3.193 -11.732 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.491 -6.022 -12.603 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.499 -3.757 -12.587 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.993 -5.432 -12.675 1.00 25.00 H new ATOM 0 HG LEU B 6 -2.808 -4.588 -14.804 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.408 -5.838 -16.228 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.787 -6.819 -14.879 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -5.429 -6.136 -14.801 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.695 -3.423 -15.995 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.678 -3.560 -14.518 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.207 -2.559 -14.517 1.00 25.00 H new ATOM 421 N CYS B 7 -4.535 -6.757 -10.301 1.00 25.00 N ATOM 422 CA CYS B 7 -4.168 -7.122 -8.947 1.00 25.00 C ATOM 423 C CYS B 7 -3.682 -8.566 -9.018 1.00 25.00 C ATOM 424 O CYS B 7 -4.042 -9.273 -9.944 1.00 25.00 O ATOM 425 CB CYS B 7 -5.433 -7.036 -8.097 1.00 25.00 C ATOM 426 SG CYS B 7 -5.188 -6.709 -6.331 1.00 25.00 S ATOM 0 H CYS B 7 -4.756 -7.544 -10.912 1.00 25.00 H new ATOM 0 HA CYS B 7 -3.399 -6.478 -8.520 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.068 -6.250 -8.506 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -5.979 -7.974 -8.200 1.00 25.00 H new ATOM 431 N GLY B 8 -2.806 -8.964 -8.107 1.00 25.00 N ATOM 432 CA GLY B 8 -2.280 -10.285 -8.103 1.00 25.00 C ATOM 433 C GLY B 8 -1.476 -10.621 -9.362 1.00 25.00 C ATOM 434 O GLY B 8 -0.722 -9.793 -9.912 1.00 25.00 O ATOM 0 H GLY B 8 -2.452 -8.368 -7.359 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -1.642 -10.412 -7.228 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -3.101 -10.995 -8.004 1.00 25.00 H new ATOM 438 N SER B 9 -1.679 -11.826 -9.890 1.00 25.00 N ATOM 439 CA SER B 9 -0.971 -12.255 -11.113 1.00 25.00 C ATOM 440 C SER B 9 -1.363 -11.441 -12.332 1.00 25.00 C ATOM 441 O SER B 9 -0.600 -11.311 -13.258 1.00 25.00 O ATOM 442 CB SER B 9 -1.240 -13.725 -11.371 1.00 25.00 C ATOM 443 OG SER B 9 -1.139 -14.433 -10.155 1.00 25.00 O ATOM 0 H SER B 9 -2.317 -12.521 -9.503 1.00 25.00 H new ATOM 0 HA SER B 9 0.093 -12.089 -10.944 1.00 25.00 H new ATOM 0 HB2 SER B 9 -2.233 -13.856 -11.801 1.00 25.00 H new ATOM 0 HB3 SER B 9 -0.525 -14.117 -12.095 1.00 25.00 H new ATOM 0 HG SER B 9 -1.314 -15.384 -10.315 1.00 25.00 H new ATOM 449 N HIS B 10 -2.561 -10.832 -12.318 1.00 25.00 N ATOM 450 CA HIS B 10 -2.974 -9.975 -13.424 1.00 25.00 C ATOM 451 C HIS B 10 -2.009 -8.825 -13.554 1.00 25.00 C ATOM 452 O HIS B 10 -1.803 -8.340 -14.650 1.00 25.00 O ATOM 453 CB HIS B 10 -4.385 -9.379 -13.189 1.00 25.00 C ATOM 454 CG HIS B 10 -5.441 -9.907 -14.132 1.00 25.00 C ATOM 455 ND1 HIS B 10 -5.881 -9.212 -15.272 1.00 25.00 N ATOM 456 CD2 HIS B 10 -6.113 -11.085 -14.164 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.794 -9.971 -15.891 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.935 -11.099 -15.254 1.00 25.00 N ATOM 0 H HIS B 10 -3.243 -10.919 -11.565 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.988 -10.588 -14.325 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.690 -9.589 -12.164 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.332 -8.295 -13.290 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -6.014 -11.883 -13.443 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.333 -9.690 -16.784 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -7.555 -11.863 -15.524 1.00 25.00 H new ATOM 467 N LEU B 11 -1.460 -8.353 -12.449 1.00 25.00 N ATOM 468 CA LEU B 11 -0.566 -7.173 -12.452 1.00 25.00 C ATOM 469 C LEU B 11 0.762 -7.513 -13.084 1.00 25.00 C ATOM 470 O LEU B 11 1.221 -6.782 -13.962 1.00 25.00 O ATOM 471 CB LEU B 11 -0.343 -6.639 -11.025 1.00 25.00 C ATOM 472 CG LEU B 11 -0.467 -5.108 -10.764 1.00 25.00 C ATOM 473 CD1 LEU B 11 -0.437 -4.870 -9.286 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.623 -4.256 -11.428 1.00 25.00 C ATOM 0 H LEU B 11 -1.609 -8.760 -11.526 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.051 -6.394 -13.040 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -1.054 -7.143 -10.370 1.00 25.00 H new ATOM 0 HB3 LEU B 11 0.654 -6.947 -10.710 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.409 -4.796 -11.214 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.523 -3.802 -9.088 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -1.269 -5.394 -8.816 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.503 -5.240 -8.877 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.457 -3.205 -11.192 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.601 -4.561 -11.056 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.586 -4.396 -12.508 1.00 25.00 H new ATOM 486 N VAL B 12 1.390 -8.610 -12.634 1.00 25.00 N ATOM 487 CA VAL B 12 2.705 -8.966 -13.185 1.00 25.00 C ATOM 488 C VAL B 12 2.561 -9.301 -14.652 1.00 25.00 C ATOM 489 O VAL B 12 3.377 -8.894 -15.455 1.00 25.00 O ATOM 490 CB VAL B 12 3.364 -10.087 -12.346 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.342 -11.130 -11.806 1.00 25.00 C ATOM 492 CG2 VAL B 12 4.406 -10.872 -13.149 1.00 25.00 C ATOM 0 H VAL B 12 1.028 -9.242 -11.920 1.00 25.00 H new ATOM 0 HA VAL B 12 3.386 -8.117 -13.121 1.00 25.00 H new ATOM 0 HB VAL B 12 3.829 -9.558 -11.514 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.868 -11.889 -11.226 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.612 -10.629 -11.170 1.00 25.00 H new ATOM 0 HG13 VAL B 12 1.829 -11.604 -12.643 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.842 -11.648 -12.519 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.928 -11.332 -14.014 1.00 25.00 H new ATOM 0 HG23 VAL B 12 5.191 -10.195 -13.486 1.00 25.00 H new ATOM 502 N GLU B 13 1.497 -9.988 -15.034 1.00 25.00 N ATOM 503 CA GLU B 13 1.266 -10.252 -16.452 1.00 25.00 C ATOM 504 C GLU B 13 1.135 -8.929 -17.225 1.00 25.00 C ATOM 505 O GLU B 13 1.772 -8.746 -18.263 1.00 25.00 O ATOM 506 CB GLU B 13 0.050 -11.148 -16.666 1.00 25.00 C ATOM 507 CG GLU B 13 0.361 -12.614 -16.278 1.00 25.00 C ATOM 508 CD GLU B 13 -0.820 -13.497 -16.453 1.00 25.00 C ATOM 509 OE1 GLU B 13 -1.676 -13.697 -15.597 1.00 25.00 O ATOM 510 OE2 GLU B 13 -0.885 -14.043 -17.629 1.00 25.00 O ATOM 0 H GLU B 13 0.792 -10.367 -14.402 1.00 25.00 H new ATOM 0 HA GLU B 13 2.128 -10.792 -16.842 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.785 -10.781 -16.070 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.259 -11.103 -17.710 1.00 25.00 H new ATOM 0 HG2 GLU B 13 1.184 -12.984 -16.889 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.692 -12.652 -15.240 1.00 25.00 H new ATOM 518 N ALA B 14 0.334 -7.986 -16.727 1.00 25.00 N ATOM 519 CA ALA B 14 0.152 -6.704 -17.435 1.00 25.00 C ATOM 520 C ALA B 14 1.460 -5.985 -17.597 1.00 25.00 C ATOM 521 O ALA B 14 1.713 -5.403 -18.648 1.00 25.00 O ATOM 522 CB ALA B 14 -0.871 -5.825 -16.727 1.00 25.00 C ATOM 0 H ALA B 14 -0.191 -8.075 -15.857 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.232 -6.927 -18.430 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.984 -4.887 -17.271 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.830 -6.341 -16.690 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.532 -5.617 -15.712 1.00 25.00 H new ATOM 528 N LEU B 15 2.314 -6.097 -16.609 1.00 25.00 N ATOM 529 CA LEU B 15 3.593 -5.428 -16.711 1.00 25.00 C ATOM 530 C LEU B 15 4.508 -6.119 -17.712 1.00 25.00 C ATOM 531 O LEU B 15 5.249 -5.462 -18.451 1.00 25.00 O ATOM 532 CB LEU B 15 4.236 -5.368 -15.290 1.00 25.00 C ATOM 533 CG LEU B 15 3.515 -4.453 -14.272 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.278 -4.492 -12.959 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.463 -3.074 -14.836 1.00 25.00 C ATOM 0 H LEU B 15 2.158 -6.626 -15.751 1.00 25.00 H new ATOM 0 HA LEU B 15 3.444 -4.415 -17.084 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.271 -6.379 -14.883 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.267 -5.029 -15.391 1.00 25.00 H new ATOM 0 HG LEU B 15 2.495 -4.789 -14.084 1.00 25.00 H new ATOM 0 HD11 LEU B 15 3.781 -3.851 -12.230 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.305 -5.515 -12.584 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.296 -4.138 -13.119 1.00 25.00 H new ATOM 0 HD21 LEU B 15 2.958 -2.412 -14.133 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.477 -2.713 -15.009 1.00 25.00 H new ATOM 0 HD23 LEU B 15 2.916 -3.087 -15.779 1.00 25.00 H new ATOM 547 N TYR B 16 4.455 -7.424 -17.771 1.00 25.00 N ATOM 548 CA TYR B 16 5.289 -8.154 -18.738 1.00 25.00 C ATOM 549 C TYR B 16 4.829 -7.790 -20.156 1.00 25.00 C ATOM 550 O TYR B 16 5.628 -7.589 -21.060 1.00 25.00 O ATOM 551 CB TYR B 16 5.152 -9.677 -18.492 1.00 25.00 C ATOM 552 CG TYR B 16 5.737 -10.512 -19.559 1.00 25.00 C ATOM 553 CD1 TYR B 16 4.953 -10.889 -20.686 1.00 25.00 C ATOM 554 CD2 TYR B 16 7.038 -11.003 -19.461 1.00 25.00 C ATOM 555 CE1 TYR B 16 5.419 -11.704 -21.678 1.00 25.00 C ATOM 556 CE2 TYR B 16 7.585 -11.788 -20.542 1.00 25.00 C ATOM 557 CZ TYR B 16 6.749 -12.158 -21.641 1.00 25.00 C ATOM 558 OH TYR B 16 7.218 -12.952 -22.671 1.00 25.00 O ATOM 0 H TYR B 16 3.862 -8.009 -17.182 1.00 25.00 H new ATOM 0 HA TYR B 16 6.337 -7.880 -18.620 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.632 -9.926 -17.545 1.00 25.00 H new ATOM 0 HB3 TYR B 16 4.095 -9.925 -18.389 1.00 25.00 H new ATOM 0 HD1 TYR B 16 3.943 -10.513 -20.760 1.00 25.00 H new ATOM 0 HD2 TYR B 16 7.632 -10.798 -18.583 1.00 25.00 H new ATOM 0 HE1 TYR B 16 4.768 -11.999 -22.488 1.00 25.00 H new ATOM 0 HE2 TYR B 16 8.620 -12.094 -20.521 1.00 25.00 H new ATOM 0 HH TYR B 16 8.155 -13.185 -22.504 1.00 25.00 H new ATOM 568 N LEU B 17 3.532 -7.619 -20.329 1.00 25.00 N ATOM 569 CA LEU B 17 2.964 -7.226 -21.620 1.00 25.00 C ATOM 570 C LEU B 17 3.250 -5.764 -21.995 1.00 25.00 C ATOM 571 O LEU B 17 3.516 -5.478 -23.149 1.00 25.00 O ATOM 572 CB LEU B 17 1.456 -7.459 -21.604 1.00 25.00 C ATOM 573 CG LEU B 17 0.959 -8.910 -21.663 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.554 -8.895 -21.389 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.261 -9.618 -22.996 1.00 25.00 C ATOM 0 H LEU B 17 2.841 -7.746 -19.590 1.00 25.00 H new ATOM 0 HA LEU B 17 3.447 -7.845 -22.376 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.056 -7.004 -20.698 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.024 -6.922 -22.448 1.00 25.00 H new ATOM 0 HG LEU B 17 1.497 -9.485 -20.909 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.940 -9.914 -21.424 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.741 -8.469 -20.403 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.055 -8.291 -22.146 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.879 -10.638 -22.961 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.780 -9.079 -23.812 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.338 -9.639 -23.161 1.00 25.00 H new ATOM 587 N VAL B 18 3.161 -4.843 -21.057 1.00 25.00 N ATOM 588 CA VAL B 18 3.340 -3.440 -21.366 1.00 25.00 C ATOM 589 C VAL B 18 4.800 -3.015 -21.424 1.00 25.00 C ATOM 590 O VAL B 18 5.142 -2.068 -22.145 1.00 25.00 O ATOM 591 CB VAL B 18 2.554 -2.560 -20.361 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.336 -2.300 -19.078 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.172 -1.211 -21.039 1.00 25.00 C ATOM 0 H VAL B 18 2.966 -5.041 -20.076 1.00 25.00 H new ATOM 0 HA VAL B 18 2.940 -3.291 -22.369 1.00 25.00 H new ATOM 0 HB VAL B 18 1.653 -3.105 -20.079 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.741 -1.679 -18.409 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.560 -3.249 -18.590 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.267 -1.786 -19.317 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.619 -0.592 -20.332 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.078 -0.689 -21.347 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.551 -1.406 -21.913 1.00 25.00 H new ATOM 603 N CYS B 19 5.696 -3.639 -20.664 1.00 25.00 N ATOM 604 CA CYS B 19 7.125 -3.260 -20.651 1.00 25.00 C ATOM 605 C CYS B 19 8.021 -4.181 -21.482 1.00 25.00 C ATOM 606 O CYS B 19 9.121 -3.802 -21.878 1.00 25.00 O ATOM 607 CB CYS B 19 7.619 -3.272 -19.202 1.00 25.00 C ATOM 608 SG CYS B 19 6.779 -2.053 -18.160 1.00 25.00 S ATOM 0 H CYS B 19 5.466 -4.415 -20.043 1.00 25.00 H new ATOM 0 HA CYS B 19 7.192 -2.270 -21.102 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.470 -4.266 -18.781 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.691 -3.077 -19.188 1.00 25.00 H new ATOM 613 N GLY B 20 7.552 -5.380 -21.792 1.00 25.00 N ATOM 614 CA GLY B 20 8.334 -6.312 -22.607 1.00 25.00 C ATOM 615 C GLY B 20 9.536 -6.877 -21.842 1.00 25.00 C ATOM 616 O GLY B 20 9.427 -7.162 -20.632 1.00 25.00 O ATOM 0 H GLY B 20 6.642 -5.733 -21.497 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.695 -7.132 -22.934 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.683 -5.803 -23.505 1.00 25.00 H new ATOM 620 N GLU B 21 10.685 -7.035 -22.505 1.00 25.00 N ATOM 621 CA GLU B 21 11.926 -7.577 -21.879 1.00 25.00 C ATOM 622 C GLU B 21 12.454 -6.723 -20.760 1.00 25.00 C ATOM 623 O GLU B 21 13.119 -7.181 -19.842 1.00 25.00 O ATOM 624 CB GLU B 21 13.026 -7.669 -22.933 1.00 25.00 C ATOM 625 CG GLU B 21 12.776 -8.700 -24.015 1.00 25.00 C ATOM 626 CD GLU B 21 13.957 -8.966 -24.903 1.00 25.00 C ATOM 627 OE1 GLU B 21 15.056 -8.510 -24.708 1.00 25.00 O ATOM 628 OE2 GLU B 21 13.679 -9.664 -25.915 1.00 25.00 O ATOM 0 H GLU B 21 10.796 -6.795 -23.490 1.00 25.00 H new ATOM 0 HA GLU B 21 11.658 -8.551 -21.470 1.00 25.00 H new ATOM 0 HB2 GLU B 21 13.146 -6.692 -23.401 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.968 -7.903 -22.437 1.00 25.00 H new ATOM 0 HG2 GLU B 21 12.472 -9.635 -23.545 1.00 25.00 H new ATOM 0 HG3 GLU B 21 11.941 -8.367 -24.631 1.00 25.00 H new ATOM 636 N ARG B 22 12.061 -5.437 -20.776 1.00 25.00 N ATOM 637 CA ARG B 22 12.483 -4.446 -19.746 1.00 25.00 C ATOM 638 C ARG B 22 11.411 -4.398 -18.660 1.00 25.00 C ATOM 639 O ARG B 22 11.132 -3.342 -18.097 1.00 25.00 O ATOM 640 CB ARG B 22 12.685 -3.091 -20.426 1.00 25.00 C ATOM 641 CG ARG B 22 13.942 -2.979 -21.209 1.00 25.00 C ATOM 642 CD ARG B 22 13.947 -1.855 -22.199 1.00 25.00 C ATOM 643 NE ARG B 22 13.094 -2.161 -23.383 1.00 25.00 N ATOM 644 CZ ARG B 22 12.886 -1.333 -24.408 1.00 25.00 C ATOM 645 NH1 ARG B 22 13.477 -0.181 -24.452 1.00 25.00 N ATOM 646 NH2 ARG B 22 12.087 -1.682 -25.380 1.00 25.00 N ATOM 0 H ARG B 22 11.447 -5.049 -21.492 1.00 25.00 H new ATOM 0 HA ARG B 22 13.426 -4.725 -19.277 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.840 -2.901 -21.088 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.675 -2.311 -19.665 1.00 25.00 H new ATOM 0 HG2 ARG B 22 14.776 -2.846 -20.520 1.00 25.00 H new ATOM 0 HG3 ARG B 22 14.112 -3.916 -21.739 1.00 25.00 H new ATOM 0 HD2 ARG B 22 13.589 -0.945 -21.718 1.00 25.00 H new ATOM 0 HD3 ARG B 22 14.969 -1.662 -22.526 1.00 25.00 H new ATOM 0 HE ARG B 22 12.635 -3.072 -23.411 1.00 25.00 H new ATOM 0 HH11 ARG B 22 14.106 0.098 -23.700 1.00 25.00 H new ATOM 0 HH12 ARG B 22 13.313 0.447 -25.239 1.00 25.00 H new ATOM 0 HH21 ARG B 22 11.621 -2.589 -25.356 1.00 25.00 H new ATOM 0 HH22 ARG B 22 11.929 -1.048 -26.163 1.00 25.00 H new ATOM 660 N GLY B 23 10.813 -5.567 -18.425 1.00 25.00 N ATOM 661 CA GLY B 23 9.799 -5.702 -17.379 1.00 25.00 C ATOM 662 C GLY B 23 10.329 -5.320 -16.008 1.00 25.00 C ATOM 663 O GLY B 23 11.541 -5.220 -15.768 1.00 25.00 O ATOM 0 H GLY B 23 11.011 -6.426 -18.939 1.00 25.00 H new ATOM 0 HA2 GLY B 23 8.943 -5.073 -17.623 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.441 -6.731 -17.354 1.00 25.00 H new ATOM 667 N PHE B 24 9.359 -5.126 -15.103 1.00 25.00 N ATOM 668 CA PHE B 24 9.588 -4.766 -13.690 1.00 25.00 C ATOM 669 C PHE B 24 10.306 -5.908 -12.939 1.00 25.00 C ATOM 670 O PHE B 24 10.385 -7.006 -13.397 1.00 25.00 O ATOM 671 CB PHE B 24 8.216 -4.516 -13.053 1.00 25.00 C ATOM 672 CG PHE B 24 7.529 -5.776 -12.593 1.00 25.00 C ATOM 673 CD1 PHE B 24 6.973 -6.663 -13.544 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.494 -6.125 -11.254 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.400 -7.907 -13.146 1.00 25.00 C ATOM 676 CE2 PHE B 24 6.894 -7.366 -10.834 1.00 25.00 C ATOM 677 CZ PHE B 24 6.357 -8.262 -11.799 1.00 25.00 C ATOM 0 H PHE B 24 8.370 -5.216 -15.335 1.00 25.00 H new ATOM 0 HA PHE B 24 10.220 -3.880 -13.630 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.336 -3.845 -12.202 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.577 -4.005 -13.774 1.00 25.00 H new ATOM 0 HD1 PHE B 24 6.982 -6.394 -14.590 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.921 -5.461 -10.517 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.998 -8.577 -13.892 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.852 -7.616 -9.784 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.923 -9.202 -11.493 1.00 25.00 H new ATOM 687 N PHE B 25 10.799 -5.597 -11.726 1.00 25.00 N ATOM 688 CA PHE B 25 11.480 -6.625 -10.889 1.00 25.00 C ATOM 689 C PHE B 25 10.951 -6.575 -9.473 1.00 25.00 C ATOM 690 O PHE B 25 10.932 -5.514 -8.836 1.00 25.00 O ATOM 691 CB PHE B 25 13.001 -6.417 -10.926 1.00 25.00 C ATOM 692 CG PHE B 25 13.807 -7.507 -10.186 1.00 25.00 C ATOM 693 CD1 PHE B 25 14.055 -7.413 -8.771 1.00 25.00 C ATOM 694 CD2 PHE B 25 14.291 -8.625 -10.883 1.00 25.00 C ATOM 695 CE1 PHE B 25 14.857 -8.392 -8.113 1.00 25.00 C ATOM 696 CE2 PHE B 25 15.026 -9.656 -10.223 1.00 25.00 C ATOM 697 CZ PHE B 25 15.321 -9.481 -8.845 1.00 25.00 C ATOM 0 H PHE B 25 10.746 -4.670 -11.304 1.00 25.00 H new ATOM 0 HA PHE B 25 11.268 -7.615 -11.293 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.327 -6.383 -11.966 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.235 -5.447 -10.487 1.00 25.00 H new ATOM 0 HD1 PHE B 25 13.631 -6.597 -8.205 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.103 -8.707 -11.943 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.100 -8.290 -7.066 1.00 25.00 H new ATOM 0 HE2 PHE B 25 15.347 -10.540 -10.754 1.00 25.00 H new ATOM 0 HZ PHE B 25 15.929 -10.221 -8.346 1.00 25.00 H new HETATM 707 N NVA B 26 10.512 -7.753 -8.964 1.00 25.00 N HETATM 708 CA NVA B 26 10.039 -7.872 -7.560 1.00 25.00 C HETATM 709 CB NVA B 26 8.509 -8.087 -7.503 1.00 25.00 C HETATM 710 CG NVA B 26 7.921 -8.067 -6.048 1.00 25.00 C HETATM 711 CD NVA B 26 6.437 -8.446 -5.983 1.00 25.00 C HETATM 712 C NVA B 26 10.783 -8.994 -6.844 1.00 25.00 C HETATM 713 O NVA B 26 10.988 -10.104 -7.333 1.00 25.00 O HETATM 0 HG3 NVA B 26 8.491 -8.756 -5.425 1.00 25.00 H new HETATM 0 HG2 NVA B 26 8.052 -7.071 -5.625 1.00 25.00 H new HETATM 0 HD3 NVA B 26 5.855 -7.743 -6.579 1.00 25.00 H new HETATM 0 HB3 NVA B 26 8.020 -7.312 -8.093 1.00 25.00 H new HETATM 0 HB2 NVA B 26 8.268 -9.042 -7.969 1.00 25.00 H new HETATM 0 HA NVA B 26 10.255 -6.936 -7.044 1.00 25.00 H new ATOM 722 N THR B 27 11.246 -8.663 -5.631 1.00 25.00 N ATOM 723 CA THR B 27 11.979 -9.574 -4.742 1.00 25.00 C ATOM 724 C THR B 27 11.016 -10.680 -4.296 1.00 25.00 C ATOM 725 O THR B 27 9.821 -10.595 -4.527 1.00 25.00 O ATOM 726 CB THR B 27 12.523 -8.804 -3.559 1.00 25.00 C ATOM 727 OG1 THR B 27 11.489 -8.003 -2.965 1.00 25.00 O ATOM 728 CG2 THR B 27 13.689 -7.894 -3.944 1.00 25.00 C ATOM 0 H THR B 27 11.118 -7.733 -5.232 1.00 25.00 H new ATOM 0 HA THR B 27 12.827 -10.024 -5.259 1.00 25.00 H new ATOM 0 HB THR B 27 12.887 -9.544 -2.846 1.00 25.00 H new ATOM 0 HG1 THR B 27 11.855 -7.512 -2.200 1.00 25.00 H new ATOM 0 HG21 THR B 27 14.044 -7.363 -3.060 1.00 25.00 H new ATOM 0 HG22 THR B 27 14.499 -8.496 -4.356 1.00 25.00 H new ATOM 0 HG23 THR B 27 13.357 -7.173 -4.691 1.00 25.00 H new ATOM 736 N PRO B 28 11.564 -11.793 -3.731 1.00 25.00 N ATOM 737 CA PRO B 28 10.656 -12.897 -3.397 1.00 25.00 C ATOM 738 C PRO B 28 9.652 -12.581 -2.285 1.00 25.00 C ATOM 739 O PRO B 28 9.993 -12.328 -1.124 1.00 25.00 O ATOM 740 CB PRO B 28 11.610 -14.019 -2.989 1.00 25.00 C ATOM 741 CG PRO B 28 12.861 -13.298 -2.525 1.00 25.00 C ATOM 742 CD PRO B 28 12.964 -12.114 -3.398 1.00 25.00 C ATOM 0 HA PRO B 28 10.010 -13.144 -4.240 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.186 -14.632 -2.193 1.00 25.00 H new ATOM 0 HB3 PRO B 28 11.822 -14.685 -3.826 1.00 25.00 H new ATOM 0 HG2 PRO B 28 12.785 -13.010 -1.476 1.00 25.00 H new ATOM 0 HG3 PRO B 28 13.741 -13.935 -2.618 1.00 25.00 H new ATOM 0 HD2 PRO B 28 13.453 -11.284 -2.889 1.00 25.00 H new ATOM 0 HD3 PRO B 28 13.548 -12.328 -4.293 1.00 25.00 H new HETATM 750 N HIX B 29 8.369 -12.514 -2.692 1.00 25.00 N HETATM 751 CA HIX B 29 7.216 -12.320 -1.815 1.00 25.00 C HETATM 752 C HIX B 29 7.079 -13.431 -0.794 1.00 25.00 C HETATM 753 O HIX B 29 7.280 -14.590 -1.056 1.00 25.00 O HETATM 754 CB HIX B 29 5.886 -12.080 -2.564 1.00 25.00 C HETATM 755 CG HIX B 29 5.870 -10.719 -3.266 1.00 25.00 C HETATM 756 CD2 HIX B 29 6.140 -10.569 -4.613 1.00 25.00 C HETATM 757 ND1 HIX B 29 5.661 -9.469 -2.767 1.00 25.00 N HETATM 758 NE1 HIX B 29 5.758 -8.454 -3.709 1.00 25.00 N HETATM 759 NE2 HIX B 29 6.106 -9.234 -4.791 1.00 25.00 N ATOM 766 N THR B 30 6.789 -12.968 0.438 1.00 25.00 N ATOM 767 CA THR B 30 6.771 -13.720 1.667 1.00 25.00 C ATOM 768 C THR B 30 5.759 -13.114 2.635 1.00 25.00 C ATOM 769 O THR B 30 5.153 -12.074 2.479 1.00 25.00 O ATOM 770 CB THR B 30 8.199 -13.687 2.275 1.00 25.00 C ATOM 771 OG1 THR B 30 8.855 -12.463 2.041 1.00 25.00 O ATOM 772 CG2 THR B 30 9.072 -14.810 1.753 1.00 25.00 C ATOM 773 OXT THR B 30 5.579 -13.806 3.707 1.00 25.00 O ATOM 0 H THR B 30 6.547 -11.989 0.590 1.00 25.00 H new ATOM 0 HA THR B 30 6.476 -14.752 1.477 1.00 25.00 H new ATOM 0 HB THR B 30 8.054 -13.814 3.348 1.00 25.00 H new ATOM 0 HG1 THR B 30 9.210 -12.451 1.127 1.00 25.00 H new ATOM 0 HG21 THR B 30 10.060 -14.744 2.208 1.00 25.00 H new ATOM 0 HG22 THR B 30 8.620 -15.769 2.005 1.00 25.00 H new ATOM 0 HG23 THR B 30 9.164 -14.726 0.670 1.00 25.00 H new TER 782 THR B 30