USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 4 GLN : amide:sc= 0.361 K(o=0.75,f=-1) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.393 K(o=0.75,f=-2.7) USER MOD Set 2.1: A 5 GLN : amide:sc= 0.417 K(o=0.82,f=-0.53) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.403 K(o=0.82,f=-2) USER MOD Single : A 1 GLY N :NH3+ -152:sc= 0.746 (180deg=0.331) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.000964 USER MOD Single : A 12 SER OG : rot -170:sc= -0.0534 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0557 X(o=-0.056,f=-0.0092) USER MOD Single : A 19 TYR OH : rot 25:sc= 0.15 USER MOD Single : A 21 ASN : amide:sc=-0.00608 X(o=-0.0061,f=-0.15) USER MOD Single : B 1 PHE N :NH3+ 132:sc= 0.0777 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.2!) USER MOD Single : B 5 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-6.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.157 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 USER MOD Single : B 29 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0135) USER MOD Single : B 30 THR OG1 : rot 43:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.158 -0.604 -0.963 1.00 25.00 N ATOM 2 CA GLY A 1 2.133 0.818 -1.424 1.00 25.00 C ATOM 3 C GLY A 1 1.563 0.944 -2.816 1.00 25.00 C ATOM 4 O GLY A 1 1.669 0.004 -3.588 1.00 25.00 O ATOM 0 H1 GLY A 1 2.088 -0.634 0.074 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.355 -1.118 -1.379 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.048 -1.051 -1.263 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.538 1.414 -0.732 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.144 1.224 -1.407 1.00 25.00 H new ATOM 10 N ILE A 2 0.952 2.076 -3.152 1.00 25.00 N ATOM 11 CA ILE A 2 0.270 2.230 -4.448 1.00 25.00 C ATOM 12 C ILE A 2 1.221 2.108 -5.653 1.00 25.00 C ATOM 13 O ILE A 2 0.840 1.603 -6.704 1.00 25.00 O ATOM 14 CB ILE A 2 -0.541 3.575 -4.491 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.562 3.534 -5.644 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.405 4.810 -4.586 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.566 4.701 -5.654 1.00 25.00 C ATOM 0 H ILE A 2 0.911 2.901 -2.553 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.429 1.398 -4.535 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.091 3.683 -3.556 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -1.021 3.529 -6.590 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.115 2.597 -5.588 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.190 5.723 -4.614 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.063 4.832 -3.717 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.005 4.740 -5.494 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.245 4.590 -6.499 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.138 4.697 -4.726 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -2.027 5.644 -5.744 1.00 25.00 H new ATOM 29 N VAL A 3 2.478 2.495 -5.487 1.00 25.00 N ATOM 30 CA VAL A 3 3.447 2.371 -6.578 1.00 25.00 C ATOM 31 C VAL A 3 3.710 0.896 -6.872 1.00 25.00 C ATOM 32 O VAL A 3 3.748 0.485 -8.019 1.00 25.00 O ATOM 33 CB VAL A 3 4.781 3.091 -6.242 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.747 3.025 -7.439 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.508 4.562 -5.869 1.00 25.00 C ATOM 0 H VAL A 3 2.851 2.892 -4.624 1.00 25.00 H new ATOM 0 HA VAL A 3 3.023 2.850 -7.460 1.00 25.00 H new ATOM 0 HB VAL A 3 5.242 2.586 -5.393 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.676 3.535 -7.185 1.00 25.00 H new ATOM 0 HG12 VAL A 3 5.958 1.983 -7.679 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.291 3.511 -8.302 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.450 5.059 -5.635 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.030 5.067 -6.708 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.851 4.601 -5.000 1.00 25.00 H new ATOM 45 N GLU A 4 3.831 0.085 -5.828 1.00 25.00 N ATOM 46 CA GLU A 4 4.038 -1.355 -5.998 1.00 25.00 C ATOM 47 C GLU A 4 2.826 -1.976 -6.667 1.00 25.00 C ATOM 48 O GLU A 4 2.961 -2.856 -7.498 1.00 25.00 O ATOM 49 CB GLU A 4 4.237 -2.038 -4.646 1.00 25.00 C ATOM 50 CG GLU A 4 5.615 -1.838 -4.041 1.00 25.00 C ATOM 51 CD GLU A 4 5.636 -2.107 -2.561 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.707 -1.847 -1.826 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.761 -2.590 -2.138 1.00 25.00 O ATOM 0 H GLU A 4 3.790 0.395 -4.857 1.00 25.00 H new ATOM 0 HA GLU A 4 4.927 -1.494 -6.613 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.489 -1.661 -3.948 1.00 25.00 H new ATOM 0 HB3 GLU A 4 4.056 -3.107 -4.762 1.00 25.00 H new ATOM 0 HG2 GLU A 4 6.326 -2.498 -4.538 1.00 25.00 H new ATOM 0 HG3 GLU A 4 5.945 -0.816 -4.227 1.00 25.00 H new ATOM 61 N GLN A 5 1.649 -1.494 -6.298 1.00 25.00 N ATOM 62 CA GLN A 5 0.391 -2.005 -6.831 1.00 25.00 C ATOM 63 C GLN A 5 0.336 -1.866 -8.355 1.00 25.00 C ATOM 64 O GLN A 5 -0.051 -2.797 -9.051 1.00 25.00 O ATOM 65 CB GLN A 5 -0.748 -1.234 -6.163 1.00 25.00 C ATOM 66 CG GLN A 5 -2.116 -1.865 -6.255 1.00 25.00 C ATOM 67 CD GLN A 5 -3.108 -1.132 -5.375 1.00 25.00 C ATOM 68 OE1 GLN A 5 -2.813 -0.810 -4.232 1.00 25.00 O ATOM 69 NE2 GLN A 5 -4.258 -0.838 -5.902 1.00 25.00 N ATOM 0 H GLN A 5 1.537 -0.739 -5.622 1.00 25.00 H new ATOM 0 HA GLN A 5 0.299 -3.069 -6.614 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.501 -1.100 -5.110 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.797 -0.240 -6.608 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.460 -1.849 -7.289 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.060 -2.911 -5.954 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.469 -1.123 -6.858 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.951 -0.322 -5.360 1.00 25.00 H new ATOM 78 N CYS A 6 0.782 -0.725 -8.866 1.00 25.00 N ATOM 79 CA CYS A 6 0.847 -0.507 -10.312 1.00 25.00 C ATOM 80 C CYS A 6 2.061 -1.181 -10.953 1.00 25.00 C ATOM 81 O CYS A 6 2.061 -1.458 -12.148 1.00 25.00 O ATOM 82 CB CYS A 6 0.914 0.992 -10.614 1.00 25.00 C ATOM 83 SG CYS A 6 -0.637 1.889 -10.288 1.00 25.00 S ATOM 0 H CYS A 6 1.104 0.064 -8.305 1.00 25.00 H new ATOM 0 HA CYS A 6 -0.055 -0.950 -10.734 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.710 1.436 -10.017 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.187 1.129 -11.660 1.00 25.00 H new ATOM 88 N CYS A 7 3.112 -1.393 -10.178 1.00 25.00 N ATOM 89 CA CYS A 7 4.347 -1.954 -10.718 1.00 25.00 C ATOM 90 C CYS A 7 4.302 -3.469 -10.889 1.00 25.00 C ATOM 91 O CYS A 7 4.688 -3.986 -11.928 1.00 25.00 O ATOM 92 CB CYS A 7 5.530 -1.616 -9.810 1.00 25.00 C ATOM 93 SG CYS A 7 6.539 -0.230 -10.420 1.00 25.00 S ATOM 0 H CYS A 7 3.139 -1.188 -9.179 1.00 25.00 H new ATOM 0 HA CYS A 7 4.465 -1.505 -11.704 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.157 -1.373 -8.815 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.162 -2.498 -9.707 1.00 25.00 H new ATOM 98 N THR A 8 3.901 -4.182 -9.849 1.00 25.00 N ATOM 99 CA THR A 8 3.955 -5.646 -9.872 1.00 25.00 C ATOM 100 C THR A 8 2.685 -6.233 -10.479 1.00 25.00 C ATOM 101 O THR A 8 2.698 -7.328 -11.036 1.00 25.00 O ATOM 102 CB THR A 8 4.232 -6.226 -8.446 1.00 25.00 C ATOM 103 OG1 THR A 8 4.707 -7.566 -8.561 1.00 25.00 O ATOM 104 CG2 THR A 8 2.993 -6.233 -7.559 1.00 25.00 C ATOM 0 H THR A 8 3.537 -3.782 -8.984 1.00 25.00 H new ATOM 0 HA THR A 8 4.789 -5.939 -10.510 1.00 25.00 H new ATOM 0 HB THR A 8 4.975 -5.578 -7.982 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.882 -7.929 -7.668 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.247 -6.646 -6.583 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.627 -5.214 -7.438 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.218 -6.844 -8.021 1.00 25.00 H new ATOM 112 N SER A 9 1.597 -5.475 -10.431 1.00 25.00 N ATOM 113 CA SER A 9 0.335 -5.932 -10.994 1.00 25.00 C ATOM 114 C SER A 9 -0.312 -4.814 -11.789 1.00 25.00 C ATOM 115 O SER A 9 0.291 -3.771 -11.991 1.00 25.00 O ATOM 116 CB SER A 9 -0.605 -6.409 -9.883 1.00 25.00 C ATOM 117 OG SER A 9 -0.006 -7.450 -9.132 1.00 25.00 O ATOM 0 H SER A 9 1.563 -4.546 -10.010 1.00 25.00 H new ATOM 0 HA SER A 9 0.532 -6.771 -11.661 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.851 -5.575 -9.226 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.541 -6.760 -10.318 1.00 25.00 H new ATOM 0 HG SER A 9 -0.621 -7.740 -8.426 1.00 25.00 H new ATOM 123 N ILE A 10 -1.479 -5.071 -12.353 1.00 25.00 N ATOM 124 CA ILE A 10 -2.130 -4.089 -13.210 1.00 25.00 C ATOM 125 C ILE A 10 -2.973 -3.192 -12.318 1.00 25.00 C ATOM 126 O ILE A 10 -3.760 -3.688 -11.516 1.00 25.00 O ATOM 127 CB ILE A 10 -3.075 -4.768 -14.256 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.331 -5.846 -15.081 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.707 -3.706 -15.188 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.244 -5.327 -16.025 1.00 25.00 C ATOM 0 H ILE A 10 -1.994 -5.944 -12.236 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.366 -3.533 -13.754 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.872 -5.268 -13.706 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -1.877 -6.557 -14.390 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.064 -6.397 -15.669 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.361 -4.197 -15.909 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.287 -3.000 -14.594 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -2.919 -3.172 -15.719 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.789 -6.166 -16.552 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.687 -4.641 -16.748 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.481 -4.804 -15.449 1.00 25.00 H new ATOM 142 N CYS A 11 -2.853 -1.885 -12.492 1.00 25.00 N ATOM 143 CA CYS A 11 -3.728 -0.947 -11.807 1.00 25.00 C ATOM 144 C CYS A 11 -4.490 -0.208 -12.905 1.00 25.00 C ATOM 145 O CYS A 11 -3.932 0.106 -13.958 1.00 25.00 O ATOM 146 CB CYS A 11 -2.927 -0.009 -10.894 1.00 25.00 C ATOM 147 SG CYS A 11 -1.887 1.221 -11.745 1.00 25.00 S ATOM 0 H CYS A 11 -2.159 -1.450 -13.101 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.428 -1.451 -11.140 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.625 0.519 -10.244 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.289 -0.615 -10.251 1.00 25.00 H new ATOM 152 N SER A 12 -5.787 -0.036 -12.708 1.00 25.00 N ATOM 153 CA SER A 12 -6.645 0.565 -13.727 1.00 25.00 C ATOM 154 C SER A 12 -6.557 2.081 -13.653 1.00 25.00 C ATOM 155 O SER A 12 -5.982 2.631 -12.718 1.00 25.00 O ATOM 156 CB SER A 12 -8.093 0.124 -13.509 1.00 25.00 C ATOM 157 OG SER A 12 -8.580 0.605 -12.267 1.00 25.00 O ATOM 0 H SER A 12 -6.273 -0.303 -11.852 1.00 25.00 H new ATOM 0 HA SER A 12 -6.311 0.236 -14.711 1.00 25.00 H new ATOM 0 HB2 SER A 12 -8.718 0.497 -14.320 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.155 -0.964 -13.533 1.00 25.00 H new ATOM 0 HG SER A 12 -9.444 0.187 -12.071 1.00 25.00 H new ATOM 163 N LEU A 13 -7.175 2.765 -14.608 1.00 25.00 N ATOM 164 CA LEU A 13 -7.183 4.230 -14.616 1.00 25.00 C ATOM 165 C LEU A 13 -7.821 4.800 -13.347 1.00 25.00 C ATOM 166 O LEU A 13 -7.433 5.853 -12.880 1.00 25.00 O ATOM 167 CB LEU A 13 -7.900 4.756 -15.870 1.00 25.00 C ATOM 168 CG LEU A 13 -9.428 4.572 -15.952 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.155 5.854 -15.541 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.833 4.184 -17.369 1.00 25.00 C ATOM 0 H LEU A 13 -7.676 2.335 -15.385 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.147 4.567 -14.638 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.685 5.821 -15.957 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.457 4.269 -16.739 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.712 3.776 -15.263 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.232 5.699 -15.607 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -9.888 6.111 -14.516 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -9.864 6.667 -16.207 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.914 4.056 -17.416 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.530 4.969 -18.062 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.345 3.249 -17.644 1.00 25.00 H new ATOM 182 N TYR A 14 -8.755 4.068 -12.758 1.00 25.00 N ATOM 183 CA TYR A 14 -9.416 4.514 -11.535 1.00 25.00 C ATOM 184 C TYR A 14 -8.438 4.515 -10.369 1.00 25.00 C ATOM 185 O TYR A 14 -8.474 5.373 -9.502 1.00 25.00 O ATOM 186 CB TYR A 14 -10.581 3.585 -11.222 1.00 25.00 C ATOM 187 CG TYR A 14 -11.497 3.381 -12.406 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.289 4.438 -12.899 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.569 2.130 -13.053 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.138 4.248 -14.022 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.415 1.939 -14.178 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.188 3.004 -14.652 1.00 25.00 C ATOM 193 OH TYR A 14 -14.002 2.828 -15.740 1.00 25.00 O ATOM 0 H TYR A 14 -9.074 3.163 -13.105 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.783 5.530 -11.684 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.193 2.620 -10.897 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.154 3.995 -10.390 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.250 5.404 -12.417 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.973 1.306 -12.688 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.743 5.064 -14.387 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.461 0.976 -14.665 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.922 1.906 -16.063 1.00 25.00 H new ATOM 203 N GLN A 15 -7.533 3.552 -10.377 1.00 25.00 N ATOM 204 CA GLN A 15 -6.520 3.457 -9.337 1.00 25.00 C ATOM 205 C GLN A 15 -5.483 4.559 -9.548 1.00 25.00 C ATOM 206 O GLN A 15 -4.961 5.123 -8.593 1.00 25.00 O ATOM 207 CB GLN A 15 -5.874 2.083 -9.363 1.00 25.00 C ATOM 208 CG GLN A 15 -6.906 0.977 -9.235 1.00 25.00 C ATOM 209 CD GLN A 15 -6.430 -0.149 -8.369 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.403 -0.754 -8.625 1.00 25.00 O ATOM 211 NE2 GLN A 15 -7.162 -0.421 -7.326 1.00 25.00 N ATOM 0 H GLN A 15 -7.478 2.825 -11.090 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.979 3.590 -8.357 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.320 1.958 -10.293 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.153 2.004 -8.550 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.826 1.388 -8.819 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.148 0.593 -10.226 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -8.015 0.110 -7.149 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.882 -1.165 -6.687 1.00 25.00 H new ATOM 220 N LEU A 16 -5.231 4.889 -10.806 1.00 25.00 N ATOM 221 CA LEU A 16 -4.318 5.975 -11.159 1.00 25.00 C ATOM 222 C LEU A 16 -4.862 7.341 -10.739 1.00 25.00 C ATOM 223 O LEU A 16 -4.095 8.208 -10.354 1.00 25.00 O ATOM 224 CB LEU A 16 -4.017 5.967 -12.662 1.00 25.00 C ATOM 225 CG LEU A 16 -3.141 4.802 -13.148 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.089 4.785 -14.667 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.722 4.912 -12.599 1.00 25.00 C ATOM 0 H LEU A 16 -5.648 4.418 -11.608 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.392 5.803 -10.610 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.962 5.941 -13.205 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.525 6.904 -12.923 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.586 3.877 -12.783 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.466 3.955 -15.000 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.097 4.664 -15.064 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.667 5.723 -15.027 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.126 4.074 -12.960 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.274 5.847 -12.934 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.751 4.894 -11.510 1.00 25.00 H new ATOM 239 N GLU A 17 -6.176 7.526 -10.771 1.00 25.00 N ATOM 240 CA GLU A 17 -6.781 8.797 -10.342 1.00 25.00 C ATOM 241 C GLU A 17 -6.406 9.144 -8.898 1.00 25.00 C ATOM 242 O GLU A 17 -6.292 10.312 -8.554 1.00 25.00 O ATOM 243 CB GLU A 17 -8.312 8.745 -10.455 1.00 25.00 C ATOM 244 CG GLU A 17 -8.836 8.833 -11.879 1.00 25.00 C ATOM 245 CD GLU A 17 -10.330 8.708 -11.952 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.914 7.661 -11.961 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.938 9.839 -12.028 1.00 25.00 O ATOM 0 H GLU A 17 -6.845 6.823 -11.086 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.389 9.568 -11.006 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.667 7.817 -10.006 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.736 9.563 -9.873 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.533 9.784 -12.316 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.379 8.046 -12.480 1.00 25.00 H new ATOM 255 N ASN A 18 -6.164 8.135 -8.070 1.00 25.00 N ATOM 256 CA ASN A 18 -5.788 8.364 -6.671 1.00 25.00 C ATOM 257 C ASN A 18 -4.475 9.141 -6.521 1.00 25.00 C ATOM 258 O ASN A 18 -4.266 9.813 -5.517 1.00 25.00 O ATOM 259 CB ASN A 18 -5.680 7.043 -5.912 1.00 25.00 C ATOM 260 CG ASN A 18 -7.009 6.365 -5.751 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.939 6.928 -5.209 1.00 25.00 O ATOM 262 ND2 ASN A 18 -7.105 5.157 -6.221 1.00 25.00 N ATOM 0 H ASN A 18 -6.220 7.152 -8.337 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.584 8.974 -6.245 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.998 6.378 -6.441 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -5.247 7.227 -4.929 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.985 4.647 -6.141 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.301 4.719 -6.670 1.00 25.00 H new ATOM 269 N TYR A 19 -3.589 9.041 -7.505 1.00 25.00 N ATOM 270 CA TYR A 19 -2.297 9.742 -7.464 1.00 25.00 C ATOM 271 C TYR A 19 -2.495 11.258 -7.563 1.00 25.00 C ATOM 272 O TYR A 19 -1.647 12.027 -7.128 1.00 25.00 O ATOM 273 CB TYR A 19 -1.426 9.299 -8.639 1.00 25.00 C ATOM 274 CG TYR A 19 -0.780 7.936 -8.493 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.506 6.752 -8.741 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.579 7.823 -8.140 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.881 5.482 -8.652 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.206 6.555 -8.048 1.00 25.00 C ATOM 279 CZ TYR A 19 0.470 5.398 -8.312 1.00 25.00 C ATOM 280 OH TYR A 19 1.084 4.176 -8.232 1.00 25.00 O ATOM 0 H TYR A 19 -3.736 8.482 -8.345 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.816 9.497 -6.517 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -2.037 9.298 -9.542 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.641 10.040 -8.787 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.552 6.814 -9.002 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.152 8.716 -7.936 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.448 4.584 -8.847 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.248 6.484 -7.775 1.00 25.00 H new ATOM 0 HH TYR A 19 0.607 3.533 -8.797 1.00 25.00 H new ATOM 290 N CYS A 20 -3.608 11.680 -8.150 1.00 25.00 N ATOM 291 CA CYS A 20 -3.908 13.097 -8.341 1.00 25.00 C ATOM 292 C CYS A 20 -5.323 13.408 -7.862 1.00 25.00 C ATOM 293 O CYS A 20 -6.040 14.224 -8.428 1.00 25.00 O ATOM 294 CB CYS A 20 -3.748 13.452 -9.819 1.00 25.00 C ATOM 295 SG CYS A 20 -4.708 12.406 -10.963 1.00 25.00 S ATOM 0 H CYS A 20 -4.328 11.052 -8.507 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.214 13.698 -7.753 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -4.044 14.491 -9.963 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -2.693 13.382 -10.083 1.00 25.00 H new ATOM 300 N ASN A 21 -5.721 12.744 -6.773 1.00 25.00 N ATOM 301 CA ASN A 21 -7.087 12.886 -6.217 1.00 25.00 C ATOM 302 C ASN A 21 -7.368 14.226 -5.522 1.00 25.00 C ATOM 303 O ASN A 21 -8.469 14.569 -5.150 1.00 25.00 O ATOM 304 CB ASN A 21 -7.410 11.725 -5.263 1.00 25.00 C ATOM 305 CG ASN A 21 -8.886 11.439 -5.277 1.00 25.00 C ATOM 306 OD1 ASN A 21 -9.516 11.243 -6.286 1.00 25.00 O ATOM 307 ND2 ASN A 21 -9.481 11.392 -4.094 1.00 25.00 N ATOM 308 OXT ASN A 21 -6.307 14.943 -5.293 1.00 25.00 O ATOM 0 H ASN A 21 -5.124 12.101 -6.253 1.00 25.00 H new ATOM 0 HA ASN A 21 -7.745 12.859 -7.086 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -6.856 10.835 -5.561 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -7.090 11.976 -4.252 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -10.479 11.189 -4.033 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -8.941 11.559 -3.245 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.691 1.874 -22.181 1.00 25.00 N ATOM 318 CA PHE B 1 -7.359 1.927 -21.511 1.00 25.00 C ATOM 319 C PHE B 1 -6.593 0.649 -21.793 1.00 25.00 C ATOM 320 O PHE B 1 -7.211 -0.390 -21.954 1.00 25.00 O ATOM 321 CB PHE B 1 -7.554 2.105 -20.000 1.00 25.00 C ATOM 322 CG PHE B 1 -6.300 2.503 -19.268 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.907 3.855 -19.214 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.509 1.533 -18.621 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.727 4.238 -18.529 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.328 1.907 -17.934 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.934 3.261 -17.894 1.00 25.00 C ATOM 0 H1 PHE B 1 -9.431 2.153 -21.505 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.698 2.526 -22.991 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.874 0.906 -22.514 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.789 2.771 -21.899 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.319 2.862 -19.829 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.929 1.172 -19.579 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.511 4.607 -19.700 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.806 0.495 -18.649 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.436 5.277 -18.494 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -3.729 1.156 -17.441 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.029 3.548 -17.379 1.00 25.00 H new ATOM 339 N VAL B 2 -5.271 0.718 -21.892 1.00 25.00 N ATOM 340 CA VAL B 2 -4.462 -0.469 -22.189 1.00 25.00 C ATOM 341 C VAL B 2 -3.815 -0.953 -20.900 1.00 25.00 C ATOM 342 O VAL B 2 -3.034 -0.227 -20.283 1.00 25.00 O ATOM 343 CB VAL B 2 -3.351 -0.155 -23.238 1.00 25.00 C ATOM 344 CG1 VAL B 2 -2.524 -1.415 -23.550 1.00 25.00 C ATOM 345 CG2 VAL B 2 -3.982 0.385 -24.535 1.00 25.00 C ATOM 0 H VAL B 2 -4.734 1.577 -21.772 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.112 -1.237 -22.608 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.690 0.602 -22.817 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -1.755 -1.173 -24.284 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.053 -1.776 -22.636 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.178 -2.189 -23.951 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.197 0.600 -25.259 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -4.661 -0.361 -24.947 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.535 1.298 -24.317 1.00 25.00 H new ATOM 355 N ASN B 3 -4.154 -2.165 -20.485 1.00 25.00 N ATOM 356 CA ASN B 3 -3.585 -2.731 -19.267 1.00 25.00 C ATOM 357 C ASN B 3 -2.110 -2.987 -19.455 1.00 25.00 C ATOM 358 O ASN B 3 -1.704 -3.638 -20.410 1.00 25.00 O ATOM 359 CB ASN B 3 -4.233 -4.066 -18.912 1.00 25.00 C ATOM 360 CG ASN B 3 -5.648 -3.911 -18.416 1.00 25.00 C ATOM 361 OD1 ASN B 3 -6.020 -2.876 -17.886 1.00 25.00 O ATOM 362 ND2 ASN B 3 -6.444 -4.928 -18.592 1.00 25.00 N ATOM 0 H ASN B 3 -4.815 -2.773 -20.968 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.764 -2.010 -18.469 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -4.229 -4.712 -19.790 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -3.636 -4.563 -18.147 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -7.415 -4.876 -18.283 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.096 -5.776 -19.039 1.00 25.00 H new ATOM 369 N GLN B 4 -1.316 -2.501 -18.521 1.00 25.00 N ATOM 370 CA GLN B 4 0.111 -2.725 -18.525 1.00 25.00 C ATOM 371 C GLN B 4 0.561 -2.468 -17.103 1.00 25.00 C ATOM 372 O GLN B 4 -0.037 -1.659 -16.393 1.00 25.00 O ATOM 373 CB GLN B 4 0.801 -1.759 -19.506 1.00 25.00 C ATOM 374 CG GLN B 4 0.575 -0.281 -19.183 1.00 25.00 C ATOM 375 CD GLN B 4 1.015 0.637 -20.294 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.153 1.105 -20.326 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.117 0.924 -21.197 1.00 25.00 N ATOM 0 H GLN B 4 -1.646 -1.938 -17.737 1.00 25.00 H new ATOM 0 HA GLN B 4 0.368 -3.734 -18.848 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.872 -1.961 -19.506 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.438 -1.960 -20.514 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.483 -0.116 -18.980 1.00 25.00 H new ATOM 0 HG3 GLN B 4 1.117 -0.026 -18.272 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.816 0.516 -21.136 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.348 1.556 -21.963 1.00 25.00 H new ATOM 386 N HIS B 5 1.616 -3.140 -16.690 1.00 25.00 N ATOM 387 CA HIS B 5 2.279 -2.795 -15.434 1.00 25.00 C ATOM 388 C HIS B 5 2.963 -1.447 -15.660 1.00 25.00 C ATOM 389 O HIS B 5 3.418 -1.159 -16.770 1.00 25.00 O ATOM 390 CB HIS B 5 3.296 -3.865 -15.045 1.00 25.00 C ATOM 391 CG HIS B 5 2.683 -5.209 -14.810 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.610 -5.422 -13.963 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.971 -6.434 -15.303 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.289 -6.714 -13.995 1.00 25.00 C ATOM 395 NE2 HIS B 5 2.103 -7.333 -14.787 1.00 25.00 N ATOM 0 H HIS B 5 2.035 -3.921 -17.194 1.00 25.00 H new ATOM 0 HA HIS B 5 1.561 -2.735 -14.616 1.00 25.00 H new ATOM 0 HB2 HIS B 5 4.045 -3.948 -15.833 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.818 -3.549 -14.142 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.767 -6.659 -15.998 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.479 -7.172 -13.447 1.00 25.00 H new ATOM 0 HE2 HIS B 5 2.092 -8.333 -14.989 1.00 25.00 H new ATOM 404 N LEU B 6 2.988 -0.608 -14.639 1.00 25.00 N ATOM 405 CA LEU B 6 3.474 0.764 -14.766 1.00 25.00 C ATOM 406 C LEU B 6 4.508 1.117 -13.705 1.00 25.00 C ATOM 407 O LEU B 6 4.186 1.238 -12.529 1.00 25.00 O ATOM 408 CB LEU B 6 2.288 1.721 -14.625 1.00 25.00 C ATOM 409 CG LEU B 6 1.251 1.713 -15.755 1.00 25.00 C ATOM 410 CD1 LEU B 6 -0.004 2.436 -15.303 1.00 25.00 C ATOM 411 CD2 LEU B 6 1.813 2.379 -17.006 1.00 25.00 C ATOM 0 H LEU B 6 2.674 -0.853 -13.700 1.00 25.00 H new ATOM 0 HA LEU B 6 3.952 0.855 -15.742 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.774 1.489 -13.692 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.679 2.734 -14.531 1.00 25.00 H new ATOM 0 HG LEU B 6 1.006 0.679 -15.996 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -0.738 2.428 -16.108 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -0.419 1.934 -14.429 1.00 25.00 H new ATOM 0 HD13 LEU B 6 0.242 3.466 -15.046 1.00 25.00 H new ATOM 0 HD21 LEU B 6 1.062 2.363 -17.796 1.00 25.00 H new ATOM 0 HD22 LEU B 6 2.080 3.411 -16.780 1.00 25.00 H new ATOM 0 HD23 LEU B 6 2.700 1.840 -17.338 1.00 25.00 H new ATOM 423 N CYS B 7 5.742 1.332 -14.141 1.00 25.00 N ATOM 424 CA CYS B 7 6.822 1.755 -13.249 1.00 25.00 C ATOM 425 C CYS B 7 7.558 2.934 -13.867 1.00 25.00 C ATOM 426 O CYS B 7 7.566 3.091 -15.090 1.00 25.00 O ATOM 427 CB CYS B 7 7.829 0.617 -13.047 1.00 25.00 C ATOM 428 SG CYS B 7 7.147 -0.870 -12.251 1.00 25.00 S ATOM 0 H CYS B 7 6.025 1.220 -15.115 1.00 25.00 H new ATOM 0 HA CYS B 7 6.385 2.033 -12.290 1.00 25.00 H new ATOM 0 HB2 CYS B 7 8.240 0.337 -14.017 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.659 0.987 -12.444 1.00 25.00 H new ATOM 433 N GLY B 8 8.220 3.729 -13.034 1.00 25.00 N ATOM 434 CA GLY B 8 9.056 4.812 -13.528 1.00 25.00 C ATOM 435 C GLY B 8 8.326 5.766 -14.452 1.00 25.00 C ATOM 436 O GLY B 8 7.175 6.118 -14.216 1.00 25.00 O ATOM 0 H GLY B 8 8.193 3.643 -12.018 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.451 5.371 -12.680 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.910 4.389 -14.057 1.00 25.00 H new ATOM 440 N SER B 9 8.984 6.149 -15.535 1.00 25.00 N ATOM 441 CA SER B 9 8.411 7.065 -16.514 1.00 25.00 C ATOM 442 C SER B 9 7.113 6.559 -17.141 1.00 25.00 C ATOM 443 O SER B 9 6.271 7.353 -17.522 1.00 25.00 O ATOM 444 CB SER B 9 9.443 7.311 -17.608 1.00 25.00 C ATOM 445 OG SER B 9 10.745 7.100 -17.080 1.00 25.00 O ATOM 0 H SER B 9 9.928 5.836 -15.762 1.00 25.00 H new ATOM 0 HA SER B 9 8.157 7.985 -15.987 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.266 6.640 -18.449 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.352 8.329 -17.987 1.00 25.00 H new ATOM 0 HG SER B 9 11.412 7.256 -17.781 1.00 25.00 H new ATOM 451 N HIS B 10 6.922 5.246 -17.227 1.00 25.00 N ATOM 452 CA HIS B 10 5.668 4.708 -17.775 1.00 25.00 C ATOM 453 C HIS B 10 4.500 5.097 -16.876 1.00 25.00 C ATOM 454 O HIS B 10 3.437 5.453 -17.359 1.00 25.00 O ATOM 455 CB HIS B 10 5.727 3.181 -17.910 1.00 25.00 C ATOM 456 CG HIS B 10 5.858 2.708 -19.324 1.00 25.00 C ATOM 457 ND1 HIS B 10 4.780 2.261 -20.101 1.00 25.00 N ATOM 458 CD2 HIS B 10 6.940 2.587 -20.140 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.231 1.916 -21.298 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.524 2.106 -21.344 1.00 25.00 N ATOM 0 H HIS B 10 7.600 4.543 -16.933 1.00 25.00 H new ATOM 0 HA HIS B 10 5.526 5.133 -18.768 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.571 2.806 -17.331 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.825 2.751 -17.474 1.00 25.00 H new ATOM 0 HD1 HIS B 10 3.808 2.210 -19.795 1.00 25.00 H new ATOM 0 HD2 HIS B 10 7.958 2.832 -19.877 1.00 25.00 H new ATOM 0 HE1 HIS B 10 4.626 1.537 -22.108 1.00 25.00 H new ATOM 469 N LEU B 11 4.714 5.049 -15.568 1.00 25.00 N ATOM 470 CA LEU B 11 3.674 5.413 -14.607 1.00 25.00 C ATOM 471 C LEU B 11 3.375 6.904 -14.715 1.00 25.00 C ATOM 472 O LEU B 11 2.224 7.313 -14.727 1.00 25.00 O ATOM 473 CB LEU B 11 4.131 5.050 -13.185 1.00 25.00 C ATOM 474 CG LEU B 11 3.162 5.304 -12.015 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.824 4.612 -12.200 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.816 4.799 -10.733 1.00 25.00 C ATOM 0 H LEU B 11 5.597 4.762 -15.145 1.00 25.00 H new ATOM 0 HA LEU B 11 2.761 4.859 -14.828 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.387 3.991 -13.179 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.049 5.601 -12.981 1.00 25.00 H new ATOM 0 HG LEU B 11 2.964 6.375 -11.969 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.182 4.826 -11.345 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.349 4.976 -13.111 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.979 3.536 -12.277 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.145 4.970 -9.891 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.020 3.732 -10.824 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.751 5.334 -10.566 1.00 25.00 H new ATOM 488 N VAL B 12 4.419 7.705 -14.860 1.00 25.00 N ATOM 489 CA VAL B 12 4.271 9.155 -15.012 1.00 25.00 C ATOM 490 C VAL B 12 3.498 9.489 -16.296 1.00 25.00 C ATOM 491 O VAL B 12 2.596 10.317 -16.287 1.00 25.00 O ATOM 492 CB VAL B 12 5.679 9.834 -15.033 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.579 11.337 -15.267 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.413 9.570 -13.702 1.00 25.00 C ATOM 0 H VAL B 12 5.385 7.379 -14.876 1.00 25.00 H new ATOM 0 HA VAL B 12 3.704 9.539 -14.164 1.00 25.00 H new ATOM 0 HB VAL B 12 6.240 9.399 -15.860 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.579 11.771 -15.275 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.095 11.525 -16.225 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.992 11.791 -14.469 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.393 10.047 -13.726 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.830 9.980 -12.877 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.535 8.496 -13.561 1.00 25.00 H new ATOM 504 N GLU B 13 3.817 8.813 -17.392 1.00 25.00 N ATOM 505 CA GLU B 13 3.132 9.050 -18.665 1.00 25.00 C ATOM 506 C GLU B 13 1.666 8.638 -18.593 1.00 25.00 C ATOM 507 O GLU B 13 0.807 9.250 -19.218 1.00 25.00 O ATOM 508 CB GLU B 13 3.819 8.270 -19.789 1.00 25.00 C ATOM 509 CG GLU B 13 5.155 8.868 -20.226 1.00 25.00 C ATOM 510 CD GLU B 13 4.988 9.981 -21.220 1.00 25.00 C ATOM 511 OE1 GLU B 13 5.164 9.851 -22.394 1.00 25.00 O ATOM 512 OE2 GLU B 13 4.649 11.104 -20.691 1.00 25.00 O ATOM 0 H GLU B 13 4.543 8.097 -17.430 1.00 25.00 H new ATOM 0 HA GLU B 13 3.183 10.119 -18.872 1.00 25.00 H new ATOM 0 HB2 GLU B 13 3.981 7.244 -19.460 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.152 8.227 -20.650 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.685 9.243 -19.351 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.775 8.085 -20.663 1.00 25.00 H new ATOM 520 N ALA B 14 1.373 7.611 -17.812 1.00 25.00 N ATOM 521 CA ALA B 14 -0.003 7.168 -17.648 1.00 25.00 C ATOM 522 C ALA B 14 -0.780 8.228 -16.864 1.00 25.00 C ATOM 523 O ALA B 14 -1.924 8.538 -17.185 1.00 25.00 O ATOM 524 CB ALA B 14 -0.038 5.829 -16.925 1.00 25.00 C ATOM 0 H ALA B 14 2.061 7.073 -17.286 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.467 7.037 -18.626 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.072 5.506 -16.807 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.510 5.087 -17.506 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.424 5.934 -15.943 1.00 25.00 H new ATOM 530 N LEU B 15 -0.143 8.792 -15.847 1.00 25.00 N ATOM 531 CA LEU B 15 -0.775 9.820 -15.026 1.00 25.00 C ATOM 532 C LEU B 15 -1.064 11.087 -15.816 1.00 25.00 C ATOM 533 O LEU B 15 -2.090 11.714 -15.592 1.00 25.00 O ATOM 534 CB LEU B 15 0.099 10.154 -13.813 1.00 25.00 C ATOM 535 CG LEU B 15 0.149 9.099 -12.695 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.144 9.500 -11.609 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.220 8.907 -12.098 1.00 25.00 C ATOM 0 H LEU B 15 0.810 8.557 -15.570 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.728 9.414 -14.686 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.116 10.330 -14.163 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.256 11.091 -13.383 1.00 25.00 H new ATOM 0 HG LEU B 15 0.481 8.157 -13.132 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.160 8.737 -10.831 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.139 9.595 -12.044 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.845 10.454 -11.176 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.171 8.158 -11.308 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.571 9.851 -11.681 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.911 8.573 -12.872 1.00 25.00 H new ATOM 549 N TYR B 16 -0.218 11.426 -16.783 1.00 25.00 N ATOM 550 CA TYR B 16 -0.478 12.587 -17.644 1.00 25.00 C ATOM 551 C TYR B 16 -1.848 12.466 -18.298 1.00 25.00 C ATOM 552 O TYR B 16 -2.607 13.424 -18.354 1.00 25.00 O ATOM 553 CB TYR B 16 0.576 12.701 -18.752 1.00 25.00 C ATOM 554 CG TYR B 16 1.737 13.607 -18.415 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.589 15.010 -18.457 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.997 13.076 -18.072 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.680 15.867 -18.151 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.091 13.933 -17.770 1.00 25.00 C ATOM 559 CZ TYR B 16 3.918 15.320 -17.810 1.00 25.00 C ATOM 560 OH TYR B 16 4.969 16.152 -17.528 1.00 25.00 O ATOM 0 H TYR B 16 0.645 10.924 -16.993 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.439 13.475 -17.013 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.960 11.706 -18.976 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.095 13.068 -19.659 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.634 15.438 -18.725 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.133 12.005 -18.038 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.552 16.939 -18.182 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.052 13.514 -17.511 1.00 25.00 H new ATOM 0 HH TYR B 16 5.760 15.617 -17.308 1.00 25.00 H new ATOM 570 N LEU B 17 -2.161 11.283 -18.802 1.00 25.00 N ATOM 571 CA LEU B 17 -3.437 11.060 -19.472 1.00 25.00 C ATOM 572 C LEU B 17 -4.627 11.031 -18.517 1.00 25.00 C ATOM 573 O LEU B 17 -5.687 11.560 -18.822 1.00 25.00 O ATOM 574 CB LEU B 17 -3.405 9.736 -20.229 1.00 25.00 C ATOM 575 CG LEU B 17 -2.347 9.599 -21.338 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.336 8.159 -21.852 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.612 10.562 -22.498 1.00 25.00 C ATOM 0 H LEU B 17 -1.554 10.464 -18.762 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.571 11.904 -20.149 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.247 8.935 -19.507 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.387 9.575 -20.674 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.376 9.853 -20.913 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.587 8.059 -22.638 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.095 7.482 -21.033 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.318 7.908 -22.253 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.843 10.434 -23.260 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.590 10.351 -22.930 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.592 11.588 -22.131 1.00 25.00 H new ATOM 589 N VAL B 18 -4.468 10.350 -17.393 1.00 25.00 N ATOM 590 CA VAL B 18 -5.584 10.134 -16.463 1.00 25.00 C ATOM 591 C VAL B 18 -5.916 11.401 -15.683 1.00 25.00 C ATOM 592 O VAL B 18 -7.085 11.734 -15.470 1.00 25.00 O ATOM 593 CB VAL B 18 -5.248 8.978 -15.475 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.353 8.793 -14.439 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.062 7.673 -16.252 1.00 25.00 C ATOM 0 H VAL B 18 -3.584 9.936 -17.096 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.458 9.862 -17.055 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.327 9.239 -14.954 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.087 7.979 -13.765 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.473 9.713 -13.867 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.289 8.555 -14.944 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.827 6.866 -15.558 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.981 7.434 -16.788 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.245 7.787 -16.965 1.00 25.00 H new ATOM 605 N CYS B 19 -4.892 12.119 -15.262 1.00 25.00 N ATOM 606 CA CYS B 19 -5.105 13.347 -14.515 1.00 25.00 C ATOM 607 C CYS B 19 -5.401 14.494 -15.485 1.00 25.00 C ATOM 608 O CYS B 19 -6.069 15.469 -15.123 1.00 25.00 O ATOM 609 CB CYS B 19 -3.888 13.638 -13.646 1.00 25.00 C ATOM 610 SG CYS B 19 -3.478 12.219 -12.569 1.00 25.00 S ATOM 0 H CYS B 19 -3.914 11.878 -15.421 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.965 13.238 -13.855 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.034 13.872 -14.281 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.080 14.518 -13.032 1.00 25.00 H new ATOM 615 N GLY B 20 -4.978 14.344 -16.733 1.00 25.00 N ATOM 616 CA GLY B 20 -5.281 15.337 -17.745 1.00 25.00 C ATOM 617 C GLY B 20 -4.612 16.675 -17.498 1.00 25.00 C ATOM 618 O GLY B 20 -3.554 16.767 -16.879 1.00 25.00 O ATOM 0 H GLY B 20 -4.429 13.550 -17.063 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.970 14.959 -18.719 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.360 15.482 -17.789 1.00 25.00 H new ATOM 622 N GLU B 21 -5.263 17.730 -17.969 1.00 25.00 N ATOM 623 CA GLU B 21 -4.747 19.101 -17.860 1.00 25.00 C ATOM 624 C GLU B 21 -4.667 19.621 -16.420 1.00 25.00 C ATOM 625 O GLU B 21 -4.109 20.682 -16.178 1.00 25.00 O ATOM 626 CB GLU B 21 -5.639 20.044 -18.674 1.00 25.00 C ATOM 627 CG GLU B 21 -5.632 19.762 -20.180 1.00 25.00 C ATOM 628 CD GLU B 21 -6.518 20.703 -20.946 1.00 25.00 C ATOM 629 OE1 GLU B 21 -7.265 21.484 -20.436 1.00 25.00 O ATOM 630 OE2 GLU B 21 -6.413 20.582 -22.221 1.00 25.00 O ATOM 0 H GLU B 21 -6.166 17.666 -18.439 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.728 19.076 -18.246 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.662 19.969 -18.305 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.314 21.071 -18.505 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.612 19.841 -20.556 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.958 18.737 -20.356 1.00 25.00 H new ATOM 638 N ARG B 22 -5.211 18.872 -15.468 1.00 25.00 N ATOM 639 CA ARG B 22 -5.158 19.263 -14.054 1.00 25.00 C ATOM 640 C ARG B 22 -3.741 19.140 -13.509 1.00 25.00 C ATOM 641 O ARG B 22 -3.402 19.759 -12.507 1.00 25.00 O ATOM 642 CB ARG B 22 -6.071 18.361 -13.219 1.00 25.00 C ATOM 643 CG ARG B 22 -7.551 18.489 -13.559 1.00 25.00 C ATOM 644 CD ARG B 22 -8.382 17.496 -12.753 1.00 25.00 C ATOM 645 NE ARG B 22 -8.158 16.110 -13.203 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.687 15.026 -12.645 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.461 15.089 -11.589 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.431 13.857 -13.160 1.00 25.00 N ATOM 0 H ARG B 22 -5.694 17.991 -15.643 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.488 20.300 -13.988 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.765 17.324 -13.358 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.930 18.596 -12.164 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.889 19.504 -13.353 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.700 18.314 -14.624 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.128 17.582 -11.696 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.439 17.744 -12.848 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.547 15.972 -14.008 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -9.676 15.993 -11.167 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -9.849 14.234 -11.189 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -7.831 13.782 -13.981 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -8.830 13.017 -12.742 1.00 25.00 H new ATOM 662 N GLY B 23 -2.935 18.309 -14.151 1.00 25.00 N ATOM 663 CA GLY B 23 -1.596 18.044 -13.661 1.00 25.00 C ATOM 664 C GLY B 23 -1.646 17.005 -12.557 1.00 25.00 C ATOM 665 O GLY B 23 -2.721 16.522 -12.197 1.00 25.00 O ATOM 0 H GLY B 23 -3.184 17.811 -15.006 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.964 17.691 -14.476 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.148 18.964 -13.286 1.00 25.00 H new ATOM 669 N PHE B 24 -0.483 16.626 -12.053 1.00 25.00 N ATOM 670 CA PHE B 24 -0.367 15.596 -11.026 1.00 25.00 C ATOM 671 C PHE B 24 1.032 15.686 -10.450 1.00 25.00 C ATOM 672 O PHE B 24 1.857 16.447 -10.949 1.00 25.00 O ATOM 673 CB PHE B 24 -0.573 14.203 -11.631 1.00 25.00 C ATOM 674 CG PHE B 24 0.468 13.821 -12.633 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.383 14.277 -13.958 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.544 12.999 -12.261 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.365 13.929 -14.899 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.526 12.631 -13.195 1.00 25.00 C ATOM 679 CZ PHE B 24 2.437 13.104 -14.522 1.00 25.00 C ATOM 0 H PHE B 24 0.411 17.023 -12.343 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.125 15.750 -10.258 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.579 13.466 -10.828 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.553 14.165 -12.106 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.446 14.902 -14.256 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.617 12.645 -11.243 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.296 14.296 -15.913 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.344 11.990 -12.900 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.191 12.832 -15.245 1.00 25.00 H new ATOM 689 N PHE B 25 1.317 14.862 -9.456 1.00 25.00 N ATOM 690 CA PHE B 25 2.654 14.755 -8.895 1.00 25.00 C ATOM 691 C PHE B 25 2.949 13.270 -8.751 1.00 25.00 C ATOM 692 O PHE B 25 2.040 12.442 -8.832 1.00 25.00 O ATOM 693 CB PHE B 25 2.734 15.457 -7.534 1.00 25.00 C ATOM 694 CG PHE B 25 1.887 14.810 -6.470 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.529 15.157 -6.327 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.441 13.847 -5.601 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.275 14.543 -5.336 1.00 25.00 C ATOM 698 CE2 PHE B 25 1.647 13.226 -4.607 1.00 25.00 C ATOM 699 CZ PHE B 25 0.285 13.572 -4.479 1.00 25.00 C ATOM 0 H PHE B 25 0.630 14.250 -9.016 1.00 25.00 H new ATOM 0 HA PHE B 25 3.385 15.238 -9.543 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.772 15.470 -7.202 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.424 16.495 -7.652 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.096 15.900 -6.981 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.483 13.580 -5.695 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.315 14.817 -5.236 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.083 12.489 -3.948 1.00 25.00 H new ATOM 0 HZ PHE B 25 -0.327 13.095 -3.728 1.00 25.00 H new ATOM 709 N TYR B 26 4.204 12.930 -8.526 1.00 25.00 N ATOM 710 CA TYR B 26 4.604 11.547 -8.319 1.00 25.00 C ATOM 711 C TYR B 26 5.659 11.548 -7.229 1.00 25.00 C ATOM 712 O TYR B 26 6.469 12.465 -7.157 1.00 25.00 O ATOM 713 CB TYR B 26 5.160 10.945 -9.613 1.00 25.00 C ATOM 714 CG TYR B 26 5.759 9.573 -9.405 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.956 8.488 -8.994 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.138 9.353 -9.592 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.526 7.210 -8.764 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.707 8.072 -9.379 1.00 25.00 C ATOM 719 CZ TYR B 26 6.895 7.016 -8.961 1.00 25.00 C ATOM 720 OH TYR B 26 7.458 5.782 -8.755 1.00 25.00 O ATOM 0 H TYR B 26 4.973 13.599 -8.481 1.00 25.00 H new ATOM 0 HA TYR B 26 3.749 10.938 -8.026 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.361 10.881 -10.352 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.920 11.611 -10.022 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.895 8.632 -8.853 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.771 10.172 -9.902 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.904 6.390 -8.438 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.763 7.914 -9.539 1.00 25.00 H new ATOM 0 HH TYR B 26 8.419 5.826 -8.939 1.00 25.00 H new ATOM 730 N THR B 27 5.629 10.538 -6.373 1.00 25.00 N ATOM 731 CA THR B 27 6.556 10.439 -5.246 1.00 25.00 C ATOM 732 C THR B 27 7.485 9.216 -5.429 1.00 25.00 C ATOM 733 O THR B 27 7.103 8.064 -5.185 1.00 25.00 O ATOM 734 CB THR B 27 5.787 10.374 -3.901 1.00 25.00 C ATOM 735 OG1 THR B 27 6.612 9.793 -2.889 1.00 25.00 O ATOM 736 CG2 THR B 27 4.519 9.555 -4.040 1.00 25.00 C ATOM 0 H THR B 27 4.966 9.765 -6.436 1.00 25.00 H new ATOM 0 HA THR B 27 7.176 11.335 -5.221 1.00 25.00 H new ATOM 0 HB THR B 27 5.521 11.393 -3.619 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.117 9.758 -2.044 1.00 25.00 H new ATOM 0 HG21 THR B 27 3.998 9.525 -3.083 1.00 25.00 H new ATOM 0 HG22 THR B 27 3.873 10.010 -4.791 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.773 8.540 -4.347 1.00 25.00 H new ATOM 744 N PRO B 28 8.699 9.446 -5.947 1.00 25.00 N ATOM 745 CA PRO B 28 9.651 8.348 -6.137 1.00 25.00 C ATOM 746 C PRO B 28 10.362 7.984 -4.833 1.00 25.00 C ATOM 747 O PRO B 28 10.506 8.818 -3.943 1.00 25.00 O ATOM 748 CB PRO B 28 10.637 8.931 -7.151 1.00 25.00 C ATOM 749 CG PRO B 28 10.656 10.385 -6.842 1.00 25.00 C ATOM 750 CD PRO B 28 9.256 10.733 -6.400 1.00 25.00 C ATOM 0 HA PRO B 28 9.175 7.425 -6.468 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.627 8.488 -7.045 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.313 8.745 -8.175 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.380 10.608 -6.058 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.945 10.966 -7.717 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.262 11.471 -5.598 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.672 11.156 -7.218 1.00 25.00 H new ATOM 758 N LYS B 29 10.850 6.754 -4.729 1.00 25.00 N ATOM 759 CA LYS B 29 11.625 6.354 -3.551 1.00 25.00 C ATOM 760 C LYS B 29 13.094 6.727 -3.773 1.00 25.00 C ATOM 761 O LYS B 29 13.898 5.948 -4.263 1.00 25.00 O ATOM 762 CB LYS B 29 11.439 4.856 -3.206 1.00 25.00 C ATOM 763 CG LYS B 29 11.695 3.835 -4.338 1.00 25.00 C ATOM 764 CD LYS B 29 11.468 2.409 -3.836 1.00 25.00 C ATOM 765 CE LYS B 29 12.371 1.405 -4.560 1.00 25.00 C ATOM 766 NZ LYS B 29 12.164 1.410 -6.047 1.00 25.00 N ATOM 0 H LYS B 29 10.728 6.024 -5.431 1.00 25.00 H new ATOM 0 HA LYS B 29 11.253 6.895 -2.681 1.00 25.00 H new ATOM 0 HB2 LYS B 29 12.104 4.615 -2.377 1.00 25.00 H new ATOM 0 HB3 LYS B 29 10.419 4.716 -2.848 1.00 25.00 H new ATOM 0 HG2 LYS B 29 11.032 4.041 -5.178 1.00 25.00 H new ATOM 0 HG3 LYS B 29 12.716 3.939 -4.705 1.00 25.00 H new ATOM 0 HD2 LYS B 29 11.661 2.365 -2.764 1.00 25.00 H new ATOM 0 HD3 LYS B 29 10.424 2.133 -3.984 1.00 25.00 H new ATOM 0 HE2 LYS B 29 13.414 1.636 -4.341 1.00 25.00 H new ATOM 0 HE3 LYS B 29 12.178 0.404 -4.173 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 12.735 0.656 -6.480 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 11.159 1.247 -6.258 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 12.454 2.330 -6.435 1.00 25.00 H new ATOM 780 N THR B 30 13.427 7.974 -3.463 1.00 25.00 N ATOM 781 CA THR B 30 14.793 8.482 -3.641 1.00 25.00 C ATOM 782 C THR B 30 15.705 8.109 -2.483 1.00 25.00 C ATOM 783 O THR B 30 16.761 7.544 -2.631 1.00 25.00 O ATOM 784 CB THR B 30 14.768 10.000 -3.838 1.00 25.00 C ATOM 785 OG1 THR B 30 13.741 10.507 -2.992 1.00 25.00 O ATOM 786 CG2 THR B 30 14.407 10.362 -5.285 1.00 25.00 C ATOM 787 OXT THR B 30 15.239 8.442 -1.310 1.00 25.00 O ATOM 0 H THR B 30 12.772 8.658 -3.086 1.00 25.00 H new ATOM 0 HA THR B 30 15.203 8.009 -4.533 1.00 25.00 H new ATOM 0 HB THR B 30 15.749 10.417 -3.608 1.00 25.00 H new ATOM 0 HG1 THR B 30 13.789 10.066 -2.118 1.00 25.00 H new ATOM 0 HG21 THR B 30 14.396 11.446 -5.397 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.146 9.934 -5.962 1.00 25.00 H new ATOM 0 HG23 THR B 30 13.421 9.963 -5.525 1.00 25.00 H new TER 796 THR B 30