USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 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 Set 1.1: B 4 GLN : amide:sc= 0.0942 K(o=0.094,f=-1.3) USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0 K(o=0.094,f=-1) USER MOD Set 2.1: A 12 SER OG : rot 80:sc=0.000169 USER MOD Set 2.2: A 15 GLN : amide:sc= 0.81 K(o=0.81,f=-5!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.00521 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0303 K(o=-0.03,f=-2.3!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.302 K(o=-0.3,f=-4.1!) USER MOD Single : B 5 HIS : no HE2:sc= 0.141 K(o=0.14,f=-1.8) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0639 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.174 0.079 -0.470 1.00 25.00 N ATOM 2 CA GLY A 1 0.870 0.166 -1.519 1.00 25.00 C ATOM 3 C GLY A 1 0.376 0.299 -2.954 1.00 25.00 C ATOM 4 O GLY A 1 -0.804 0.288 -3.242 1.00 25.00 O ATOM 0 H1 GLY A 1 -0.107 0.907 0.156 1.00 25.00 H new ATOM 0 H2 GLY A 1 -1.113 0.057 -0.916 1.00 25.00 H new ATOM 0 H3 GLY A 1 -0.035 -0.788 0.087 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.508 1.021 -1.296 1.00 25.00 H new ATOM 0 HA3 GLY A 1 1.496 -0.724 -1.454 1.00 25.00 H new ATOM 9 N ILE A 2 1.326 0.413 -3.898 1.00 25.00 N ATOM 10 CA ILE A 2 0.999 0.592 -5.313 1.00 25.00 C ATOM 11 C ILE A 2 0.222 -0.609 -5.864 1.00 25.00 C ATOM 12 O ILE A 2 -0.624 -0.460 -6.743 1.00 25.00 O ATOM 13 CB ILE A 2 2.304 0.880 -6.154 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.957 1.453 -7.547 1.00 25.00 C ATOM 15 CG2 ILE A 2 3.182 -0.396 -6.305 1.00 25.00 C ATOM 16 CD1 ILE A 2 1.360 2.863 -7.523 1.00 25.00 C ATOM 0 H ILE A 2 2.326 0.384 -3.701 1.00 25.00 H new ATOM 0 HA ILE A 2 0.347 1.461 -5.403 1.00 25.00 H new ATOM 0 HB ILE A 2 2.879 1.626 -5.604 1.00 25.00 H new ATOM 0 HG12 ILE A 2 2.861 1.465 -8.156 1.00 25.00 H new ATOM 0 HG13 ILE A 2 1.251 0.782 -8.037 1.00 25.00 H new ATOM 0 HG21 ILE A 2 4.071 -0.159 -6.889 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.480 -0.751 -5.319 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.610 -1.173 -6.813 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.147 3.185 -8.542 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.437 2.857 -6.944 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.071 3.551 -7.066 1.00 25.00 H new ATOM 28 N VAL A 3 0.439 -1.788 -5.294 1.00 25.00 N ATOM 29 CA VAL A 3 -0.310 -2.981 -5.700 1.00 25.00 C ATOM 30 C VAL A 3 -1.789 -2.760 -5.404 1.00 25.00 C ATOM 31 O VAL A 3 -2.657 -2.980 -6.252 1.00 25.00 O ATOM 32 CB VAL A 3 0.184 -4.234 -4.928 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.647 -5.485 -5.264 1.00 25.00 C ATOM 34 CG2 VAL A 3 1.665 -4.497 -5.235 1.00 25.00 C ATOM 0 H VAL A 3 1.122 -1.948 -4.554 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.155 -3.148 -6.766 1.00 25.00 H new ATOM 0 HB VAL A 3 0.060 -4.028 -3.865 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.266 -6.337 -4.701 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -1.690 -5.311 -4.998 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -0.575 -5.694 -6.331 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.999 -5.378 -4.687 1.00 25.00 H new ATOM 0 HG22 VAL A 3 1.791 -4.665 -6.305 1.00 25.00 H new ATOM 0 HG23 VAL A 3 2.258 -3.635 -4.931 1.00 25.00 H new ATOM 44 N GLU A 4 -2.067 -2.275 -4.203 1.00 25.00 N ATOM 45 CA GLU A 4 -3.438 -2.022 -3.796 1.00 25.00 C ATOM 46 C GLU A 4 -4.046 -0.918 -4.643 1.00 25.00 C ATOM 47 O GLU A 4 -5.200 -1.007 -5.010 1.00 25.00 O ATOM 48 CB GLU A 4 -3.501 -1.623 -2.322 1.00 25.00 C ATOM 49 CG GLU A 4 -4.135 -2.684 -1.443 1.00 25.00 C ATOM 50 CD GLU A 4 -4.077 -2.323 0.014 1.00 25.00 C ATOM 51 OE1 GLU A 4 -3.072 -2.004 0.558 1.00 25.00 O ATOM 52 OE2 GLU A 4 -5.222 -2.365 0.612 1.00 25.00 O ATOM 0 H GLU A 4 -1.365 -2.050 -3.498 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.006 -2.942 -3.939 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.492 -1.419 -1.964 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -4.066 -0.696 -2.227 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -5.174 -2.825 -1.739 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.626 -3.635 -1.600 1.00 25.00 H new ATOM 60 N GLN A 5 -3.276 0.102 -4.981 1.00 25.00 N ATOM 61 CA GLN A 5 -3.789 1.182 -5.825 1.00 25.00 C ATOM 62 C GLN A 5 -4.162 0.678 -7.218 1.00 25.00 C ATOM 63 O GLN A 5 -5.209 1.015 -7.748 1.00 25.00 O ATOM 64 CB GLN A 5 -2.753 2.302 -5.938 1.00 25.00 C ATOM 65 CG GLN A 5 -2.549 3.077 -4.639 1.00 25.00 C ATOM 66 CD GLN A 5 -1.468 4.123 -4.764 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.291 3.812 -4.720 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.856 5.356 -4.946 1.00 25.00 N ATOM 0 H GLN A 5 -2.304 0.210 -4.691 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.692 1.569 -5.353 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -1.800 1.874 -6.250 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.063 2.995 -6.720 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.485 3.557 -4.353 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.290 2.382 -3.840 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.851 5.578 -4.977 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -1.164 6.097 -5.057 1.00 25.00 H new ATOM 77 N CYS A 6 -3.311 -0.157 -7.801 1.00 25.00 N ATOM 78 CA CYS A 6 -3.577 -0.709 -9.131 1.00 25.00 C ATOM 79 C CYS A 6 -4.745 -1.707 -9.076 1.00 25.00 C ATOM 80 O CYS A 6 -5.454 -1.927 -10.059 1.00 25.00 O ATOM 81 CB CYS A 6 -2.306 -1.384 -9.654 1.00 25.00 C ATOM 82 SG CYS A 6 -2.221 -1.683 -11.448 1.00 25.00 S ATOM 0 H CYS A 6 -2.435 -0.468 -7.380 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.861 0.095 -9.810 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.452 -0.769 -9.370 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.193 -2.340 -9.143 1.00 25.00 H new ATOM 87 N CYS A 7 -4.966 -2.291 -7.904 1.00 25.00 N ATOM 88 CA CYS A 7 -6.086 -3.201 -7.697 1.00 25.00 C ATOM 89 C CYS A 7 -7.409 -2.449 -7.526 1.00 25.00 C ATOM 90 O CYS A 7 -8.399 -2.771 -8.189 1.00 25.00 O ATOM 91 CB CYS A 7 -5.824 -4.070 -6.455 1.00 25.00 C ATOM 92 SG CYS A 7 -7.093 -5.343 -6.149 1.00 25.00 S ATOM 0 H CYS A 7 -4.382 -2.150 -7.080 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.171 -3.829 -8.584 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.856 -4.558 -6.565 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.757 -3.423 -5.581 1.00 25.00 H new ATOM 97 N THR A 8 -7.453 -1.464 -6.628 1.00 25.00 N ATOM 98 CA THR A 8 -8.701 -0.763 -6.309 1.00 25.00 C ATOM 99 C THR A 8 -9.068 0.347 -7.300 1.00 25.00 C ATOM 100 O THR A 8 -10.224 0.769 -7.366 1.00 25.00 O ATOM 101 CB THR A 8 -8.650 -0.173 -4.873 1.00 25.00 C ATOM 102 OG1 THR A 8 -9.964 0.217 -4.470 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.709 1.053 -4.771 1.00 25.00 C ATOM 0 H THR A 8 -6.640 -1.133 -6.108 1.00 25.00 H new ATOM 0 HA THR A 8 -9.481 -1.521 -6.382 1.00 25.00 H new ATOM 0 HB THR A 8 -8.258 -0.951 -4.218 1.00 25.00 H new ATOM 0 HG1 THR A 8 -9.932 0.588 -3.563 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.709 1.428 -3.747 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.697 0.759 -5.050 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.058 1.836 -5.444 1.00 25.00 H new ATOM 111 N SER A 9 -8.104 0.788 -8.101 1.00 25.00 N ATOM 112 CA SER A 9 -8.355 1.807 -9.125 1.00 25.00 C ATOM 113 C SER A 9 -8.104 1.175 -10.485 1.00 25.00 C ATOM 114 O SER A 9 -7.565 0.076 -10.560 1.00 25.00 O ATOM 115 CB SER A 9 -7.442 3.008 -8.921 1.00 25.00 C ATOM 116 OG SER A 9 -7.870 4.101 -9.718 1.00 25.00 O ATOM 0 H SER A 9 -7.140 0.458 -8.064 1.00 25.00 H new ATOM 0 HA SER A 9 -9.384 2.161 -9.057 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.440 3.296 -7.870 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.417 2.741 -9.180 1.00 25.00 H new ATOM 0 HG SER A 9 -7.273 4.865 -9.573 1.00 25.00 H new ATOM 122 N ILE A 10 -8.502 1.846 -11.553 1.00 25.00 N ATOM 123 CA ILE A 10 -8.298 1.332 -12.901 1.00 25.00 C ATOM 124 C ILE A 10 -6.880 1.728 -13.300 1.00 25.00 C ATOM 125 O ILE A 10 -6.526 2.908 -13.258 1.00 25.00 O ATOM 126 CB ILE A 10 -9.319 1.959 -13.896 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.740 1.393 -13.649 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.897 1.726 -15.351 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.960 -0.052 -14.121 1.00 25.00 C ATOM 0 H ILE A 10 -8.970 2.751 -11.514 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.441 0.252 -12.927 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.335 3.034 -13.719 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.954 1.446 -12.582 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.462 2.036 -14.152 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.631 2.176 -16.019 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.922 2.181 -15.524 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.838 0.655 -15.546 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.984 -0.354 -13.903 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.784 -0.115 -15.195 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.268 -0.714 -13.601 1.00 25.00 H new ATOM 141 N CYS A 11 -6.066 0.732 -13.640 1.00 25.00 N ATOM 142 CA CYS A 11 -4.675 0.954 -14.001 1.00 25.00 C ATOM 143 C CYS A 11 -4.543 1.209 -15.506 1.00 25.00 C ATOM 144 O CYS A 11 -4.950 0.384 -16.333 1.00 25.00 O ATOM 145 CB CYS A 11 -3.835 -0.254 -13.591 1.00 25.00 C ATOM 146 SG CYS A 11 -2.578 0.117 -12.322 1.00 25.00 S ATOM 0 H CYS A 11 -6.353 -0.246 -13.672 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.311 1.835 -13.473 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.497 -1.034 -13.215 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.338 -0.655 -14.474 1.00 25.00 H new ATOM 151 N SER A 12 -4.001 2.369 -15.846 1.00 25.00 N ATOM 152 CA SER A 12 -3.846 2.790 -17.239 1.00 25.00 C ATOM 153 C SER A 12 -2.440 2.480 -17.753 1.00 25.00 C ATOM 154 O SER A 12 -1.521 2.263 -16.967 1.00 25.00 O ATOM 155 CB SER A 12 -4.129 4.287 -17.353 1.00 25.00 C ATOM 156 OG SER A 12 -5.386 4.610 -16.757 1.00 25.00 O ATOM 0 H SER A 12 -3.655 3.048 -15.168 1.00 25.00 H new ATOM 0 HA SER A 12 -4.557 2.236 -17.851 1.00 25.00 H new ATOM 0 HB2 SER A 12 -3.334 4.851 -16.865 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.132 4.583 -18.402 1.00 25.00 H new ATOM 0 HG SER A 12 -5.283 4.661 -15.784 1.00 25.00 H new ATOM 162 N LEU A 13 -2.275 2.516 -19.063 1.00 25.00 N ATOM 163 CA LEU A 13 -0.997 2.183 -19.708 1.00 25.00 C ATOM 164 C LEU A 13 0.163 2.984 -19.149 1.00 25.00 C ATOM 165 O LEU A 13 1.230 2.455 -18.899 1.00 25.00 O ATOM 166 CB LEU A 13 -1.076 2.464 -21.212 1.00 25.00 C ATOM 167 CG LEU A 13 -1.764 1.415 -22.085 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.003 2.005 -23.475 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.903 0.165 -22.190 1.00 25.00 C ATOM 0 H LEU A 13 -3.014 2.775 -19.716 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.821 1.125 -19.512 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.595 3.412 -21.351 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -0.060 2.599 -21.584 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.717 1.137 -21.634 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.494 1.264 -24.106 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.637 2.887 -23.392 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.048 2.285 -23.920 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.407 -0.572 -22.815 1.00 25.00 H new ATOM 0 HD22 LEU A 13 0.058 0.422 -22.635 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.743 -0.251 -21.195 1.00 25.00 H new ATOM 181 N TYR A 14 -0.051 4.269 -18.952 1.00 25.00 N ATOM 182 CA TYR A 14 1.002 5.163 -18.504 1.00 25.00 C ATOM 183 C TYR A 14 1.426 4.823 -17.084 1.00 25.00 C ATOM 184 O TYR A 14 2.601 4.823 -16.748 1.00 25.00 O ATOM 185 CB TYR A 14 0.502 6.603 -18.555 1.00 25.00 C ATOM 186 CG TYR A 14 -0.689 6.740 -19.467 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.539 6.686 -20.869 1.00 25.00 C ATOM 188 CD2 TYR A 14 -1.983 6.904 -18.929 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.657 6.779 -21.718 1.00 25.00 C ATOM 190 CE2 TYR A 14 -3.110 6.997 -19.780 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.935 6.927 -21.167 1.00 25.00 C ATOM 192 OH TYR A 14 -4.018 7.003 -22.004 1.00 25.00 O ATOM 0 H TYR A 14 -0.953 4.723 -19.096 1.00 25.00 H new ATOM 0 HA TYR A 14 1.863 5.046 -19.162 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.233 6.932 -17.551 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.304 7.256 -18.900 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.447 6.572 -21.296 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -2.115 6.959 -17.858 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.530 6.736 -22.790 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -4.098 7.121 -19.362 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.835 7.103 -21.473 1.00 25.00 H new ATOM 202 N GLN A 15 0.442 4.504 -16.256 1.00 25.00 N ATOM 203 CA GLN A 15 0.702 4.179 -14.866 1.00 25.00 C ATOM 204 C GLN A 15 1.512 2.902 -14.819 1.00 25.00 C ATOM 205 O GLN A 15 2.458 2.811 -14.068 1.00 25.00 O ATOM 206 CB GLN A 15 -0.604 3.994 -14.104 1.00 25.00 C ATOM 207 CG GLN A 15 -1.512 5.213 -14.137 1.00 25.00 C ATOM 208 CD GLN A 15 -2.795 4.972 -13.395 1.00 25.00 C ATOM 209 OE1 GLN A 15 -3.753 4.469 -13.958 1.00 25.00 O ATOM 210 NE2 GLN A 15 -2.826 5.325 -12.134 1.00 25.00 N ATOM 0 H GLN A 15 -0.541 4.464 -16.524 1.00 25.00 H new ATOM 0 HA GLN A 15 1.253 4.994 -14.397 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -1.140 3.142 -14.522 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.377 3.750 -13.066 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -0.993 6.065 -13.698 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -1.734 5.473 -15.172 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -2.002 5.743 -11.701 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -3.674 5.182 -11.585 1.00 25.00 H new ATOM 219 N LEU A 16 1.166 1.935 -15.659 1.00 25.00 N ATOM 220 CA LEU A 16 1.888 0.676 -15.713 1.00 25.00 C ATOM 221 C LEU A 16 3.318 0.890 -16.199 1.00 25.00 C ATOM 222 O LEU A 16 4.257 0.351 -15.635 1.00 25.00 O ATOM 223 CB LEU A 16 1.163 -0.308 -16.633 1.00 25.00 C ATOM 224 CG LEU A 16 -0.236 -0.758 -16.194 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.864 -1.623 -17.290 1.00 25.00 C ATOM 226 CD2 LEU A 16 -0.194 -1.546 -14.871 1.00 25.00 C ATOM 0 H LEU A 16 0.386 2.002 -16.313 1.00 25.00 H new ATOM 0 HA LEU A 16 1.926 0.261 -14.706 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.080 0.147 -17.620 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.787 -1.195 -16.742 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.839 0.135 -16.031 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.858 -1.942 -16.977 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.942 -1.044 -18.210 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.240 -2.499 -17.464 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.205 -1.847 -14.594 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.427 -2.433 -14.995 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.225 -0.917 -14.086 1.00 25.00 H new ATOM 238 N GLU A 17 3.491 1.701 -17.237 1.00 25.00 N ATOM 239 CA GLU A 17 4.827 1.973 -17.769 1.00 25.00 C ATOM 240 C GLU A 17 5.701 2.734 -16.772 1.00 25.00 C ATOM 241 O GLU A 17 6.909 2.553 -16.748 1.00 25.00 O ATOM 242 CB GLU A 17 4.731 2.753 -19.087 1.00 25.00 C ATOM 243 CG GLU A 17 4.265 1.896 -20.246 1.00 25.00 C ATOM 244 CD GLU A 17 5.271 1.851 -21.368 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.430 2.739 -22.148 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.964 0.745 -21.396 1.00 25.00 O ATOM 0 H GLU A 17 2.733 2.179 -17.725 1.00 25.00 H new ATOM 0 HA GLU A 17 5.301 1.009 -17.953 1.00 25.00 H new ATOM 0 HB2 GLU A 17 4.043 3.589 -18.960 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.707 3.177 -19.324 1.00 25.00 H new ATOM 0 HG2 GLU A 17 4.074 0.883 -19.892 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.320 2.285 -20.625 1.00 25.00 H new ATOM 254 N ASN A 18 5.084 3.523 -15.903 1.00 25.00 N ATOM 255 CA ASN A 18 5.808 4.226 -14.851 1.00 25.00 C ATOM 256 C ASN A 18 6.363 3.257 -13.795 1.00 25.00 C ATOM 257 O ASN A 18 7.211 3.636 -13.000 1.00 25.00 O ATOM 258 CB ASN A 18 4.898 5.248 -14.168 1.00 25.00 C ATOM 259 CG ASN A 18 4.583 6.435 -15.045 1.00 25.00 C ATOM 260 OD1 ASN A 18 5.216 6.676 -16.051 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.604 7.200 -14.644 1.00 25.00 N ATOM 0 H ASN A 18 4.078 3.693 -15.906 1.00 25.00 H new ATOM 0 HA ASN A 18 6.647 4.736 -15.324 1.00 25.00 H new ATOM 0 HB2 ASN A 18 3.967 4.761 -13.877 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.375 5.596 -13.252 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.351 8.029 -15.182 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.092 6.969 -13.793 1.00 25.00 H new ATOM 268 N TYR A 19 5.898 2.009 -13.779 1.00 25.00 N ATOM 269 CA TYR A 19 6.429 1.030 -12.824 1.00 25.00 C ATOM 270 C TYR A 19 7.636 0.320 -13.445 1.00 25.00 C ATOM 271 O TYR A 19 8.277 -0.544 -12.829 1.00 25.00 O ATOM 272 CB TYR A 19 5.364 0.001 -12.421 1.00 25.00 C ATOM 273 CG TYR A 19 4.030 0.603 -11.963 1.00 25.00 C ATOM 274 CD1 TYR A 19 3.958 1.865 -11.331 1.00 25.00 C ATOM 275 CD2 TYR A 19 2.829 -0.105 -12.169 1.00 25.00 C ATOM 276 CE1 TYR A 19 2.697 2.416 -10.946 1.00 25.00 C ATOM 277 CE2 TYR A 19 1.578 0.431 -11.777 1.00 25.00 C ATOM 278 CZ TYR A 19 1.520 1.693 -11.184 1.00 25.00 C ATOM 279 OH TYR A 19 0.309 2.216 -10.821 1.00 25.00 O ATOM 0 H TYR A 19 5.171 1.654 -14.400 1.00 25.00 H new ATOM 0 HA TYR A 19 6.734 1.560 -11.922 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.177 -0.659 -13.268 1.00 25.00 H new ATOM 0 HB3 TYR A 19 5.763 -0.618 -11.617 1.00 25.00 H new ATOM 0 HD1 TYR A 19 4.865 2.418 -11.137 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.863 -1.078 -12.636 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.651 3.386 -10.473 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.672 -0.135 -11.936 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.404 1.586 -11.058 1.00 25.00 H new ATOM 289 N CYS A 20 7.925 0.708 -14.677 1.00 25.00 N ATOM 290 CA CYS A 20 9.043 0.194 -15.452 1.00 25.00 C ATOM 291 C CYS A 20 9.963 1.366 -15.808 1.00 25.00 C ATOM 292 O CYS A 20 9.714 2.515 -15.444 1.00 25.00 O ATOM 293 CB CYS A 20 8.520 -0.433 -16.749 1.00 25.00 C ATOM 294 SG CYS A 20 7.222 -1.673 -16.494 1.00 25.00 S ATOM 0 H CYS A 20 7.375 1.406 -15.178 1.00 25.00 H new ATOM 0 HA CYS A 20 9.582 -0.557 -14.874 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.133 0.357 -17.393 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.352 -0.896 -17.279 1.00 25.00 H new ATOM 299 N ASN A 21 10.990 1.119 -16.604 1.00 25.00 N ATOM 300 CA ASN A 21 11.808 2.232 -17.107 1.00 25.00 C ATOM 301 C ASN A 21 11.076 2.968 -18.235 1.00 25.00 C ATOM 302 O ASN A 21 11.164 2.655 -19.402 1.00 25.00 O ATOM 303 CB ASN A 21 13.208 1.786 -17.572 1.00 25.00 C ATOM 304 CG ASN A 21 13.977 3.012 -17.986 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.290 3.881 -17.222 1.00 25.00 O ATOM 306 ND2 ASN A 21 14.308 3.091 -19.267 1.00 25.00 N ATOM 307 OXT ASN A 21 10.337 3.954 -17.821 1.00 25.00 O ATOM 0 H ASN A 21 11.279 0.191 -16.914 1.00 25.00 H new ATOM 0 HA ASN A 21 11.959 2.914 -16.270 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.728 1.264 -16.768 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.128 1.088 -18.405 1.00 25.00 H new ATOM 0 HD21 ASN A 21 14.833 3.896 -19.609 1.00 25.00 H new ATOM 0 HD22 ASN A 21 14.038 2.347 -19.910 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.391 -2.802 -26.182 1.00 25.00 N ATOM 317 CA PHE B 1 -5.239 -2.837 -24.701 1.00 25.00 C ATOM 318 C PHE B 1 -6.503 -2.488 -23.910 1.00 25.00 C ATOM 319 O PHE B 1 -7.311 -1.673 -24.291 1.00 25.00 O ATOM 320 CB PHE B 1 -4.106 -1.874 -24.305 1.00 25.00 C ATOM 321 CG PHE B 1 -3.852 -1.809 -22.812 1.00 25.00 C ATOM 322 CD1 PHE B 1 -2.976 -2.723 -22.203 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.494 -0.829 -22.040 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.761 -2.665 -20.826 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.265 -0.774 -20.674 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.403 -1.690 -20.063 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.486 -3.051 -26.630 1.00 25.00 H new ATOM 0 H2 PHE B 1 -6.121 -3.484 -26.472 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.673 -1.846 -26.480 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.014 -3.871 -24.441 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.189 -2.181 -24.807 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.348 -0.875 -24.667 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.471 -3.468 -22.799 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.163 -0.121 -22.507 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.099 -3.374 -20.352 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.755 -0.019 -20.078 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.234 -1.642 -18.997 1.00 25.00 H new ATOM 337 N VAL B 2 -6.660 -3.142 -22.740 1.00 25.00 N ATOM 338 CA VAL B 2 -7.806 -2.876 -21.866 1.00 25.00 C ATOM 339 C VAL B 2 -7.330 -2.378 -20.507 1.00 25.00 C ATOM 340 O VAL B 2 -6.720 -3.116 -19.732 1.00 25.00 O ATOM 341 CB VAL B 2 -8.668 -4.165 -21.665 1.00 25.00 C ATOM 342 CG1 VAL B 2 -9.919 -3.854 -20.828 1.00 25.00 C ATOM 343 CG2 VAL B 2 -9.099 -4.742 -23.024 1.00 25.00 C ATOM 0 H VAL B 2 -6.013 -3.848 -22.388 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.418 -2.111 -22.344 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.057 -4.898 -21.139 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -10.506 -4.763 -20.699 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -9.618 -3.475 -19.851 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.521 -3.103 -21.339 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -9.698 -5.639 -22.865 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -9.690 -4.001 -23.563 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -8.215 -4.995 -23.609 1.00 25.00 H new ATOM 353 N ASN B 3 -7.645 -1.134 -20.210 1.00 25.00 N ATOM 354 CA ASN B 3 -7.372 -0.543 -18.911 1.00 25.00 C ATOM 355 C ASN B 3 -8.353 -1.167 -17.915 1.00 25.00 C ATOM 356 O ASN B 3 -9.547 -1.224 -18.169 1.00 25.00 O ATOM 357 CB ASN B 3 -7.548 0.993 -18.943 1.00 25.00 C ATOM 358 CG ASN B 3 -8.907 1.433 -19.470 1.00 25.00 C ATOM 359 OD1 ASN B 3 -9.315 1.072 -20.564 1.00 25.00 O ATOM 360 ND2 ASN B 3 -9.582 2.253 -18.717 1.00 25.00 N ATOM 0 H ASN B 3 -8.100 -0.499 -20.865 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.340 -0.739 -18.622 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.411 1.388 -17.937 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.766 1.428 -19.566 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -10.481 2.615 -19.035 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.212 2.534 -17.809 1.00 25.00 H new ATOM 367 N GLN B 4 -7.829 -1.684 -16.813 1.00 25.00 N ATOM 368 CA GLN B 4 -8.646 -2.478 -15.900 1.00 25.00 C ATOM 369 C GLN B 4 -8.052 -2.482 -14.507 1.00 25.00 C ATOM 370 O GLN B 4 -6.937 -2.013 -14.290 1.00 25.00 O ATOM 371 CB GLN B 4 -8.727 -3.924 -16.432 1.00 25.00 C ATOM 372 CG GLN B 4 -7.369 -4.615 -16.520 1.00 25.00 C ATOM 373 CD GLN B 4 -7.433 -5.966 -17.196 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.415 -7.001 -16.536 1.00 25.00 O ATOM 375 NE2 GLN B 4 -7.468 -5.969 -18.495 1.00 25.00 N ATOM 0 H GLN B 4 -6.856 -1.572 -16.530 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.642 -2.039 -15.844 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.381 -4.506 -15.783 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.186 -3.914 -17.421 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -6.677 -3.974 -17.067 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.964 -4.737 -15.515 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -7.482 -5.087 -19.007 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -7.482 -6.854 -19.003 1.00 25.00 H new ATOM 384 N HIS B 5 -8.789 -3.059 -13.566 1.00 25.00 N ATOM 385 CA HIS B 5 -8.288 -3.274 -12.204 1.00 25.00 C ATOM 386 C HIS B 5 -7.314 -4.441 -12.267 1.00 25.00 C ATOM 387 O HIS B 5 -7.597 -5.440 -12.928 1.00 25.00 O ATOM 388 CB HIS B 5 -9.453 -3.622 -11.269 1.00 25.00 C ATOM 389 CG HIS B 5 -10.356 -2.466 -10.994 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.005 -1.424 -10.146 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.601 -2.137 -11.441 1.00 25.00 C ATOM 392 CE1 HIS B 5 -10.991 -0.539 -10.111 1.00 25.00 C ATOM 393 NE2 HIS B 5 -11.962 -0.953 -10.876 1.00 25.00 N ATOM 0 H HIS B 5 -9.742 -3.390 -13.717 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.800 -2.377 -11.823 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.035 -4.431 -11.711 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.054 -3.994 -10.326 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.127 -1.351 -9.631 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.199 -2.718 -12.127 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -10.990 0.378 -9.540 1.00 25.00 H new ATOM 402 N LEU B 6 -6.168 -4.331 -11.611 1.00 25.00 N ATOM 403 CA LEU B 6 -5.165 -5.411 -11.635 1.00 25.00 C ATOM 404 C LEU B 6 -4.724 -5.794 -10.232 1.00 25.00 C ATOM 405 O LEU B 6 -4.094 -5.009 -9.537 1.00 25.00 O ATOM 406 CB LEU B 6 -3.947 -4.954 -12.430 1.00 25.00 C ATOM 407 CG LEU B 6 -4.180 -4.639 -13.914 1.00 25.00 C ATOM 408 CD1 LEU B 6 -2.970 -3.946 -14.433 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.446 -5.892 -14.739 1.00 25.00 C ATOM 0 H LEU B 6 -5.901 -3.517 -11.057 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.622 -6.283 -12.102 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.541 -4.063 -11.951 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.183 -5.729 -12.361 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.066 -4.009 -14.000 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.110 -3.711 -15.488 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.811 -3.024 -13.874 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.102 -4.595 -14.318 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.604 -5.615 -15.781 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.590 -6.563 -14.668 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.334 -6.396 -14.359 1.00 25.00 H new ATOM 421 N CYS B 7 -5.041 -7.014 -9.827 1.00 25.00 N ATOM 422 CA CYS B 7 -4.710 -7.499 -8.489 1.00 25.00 C ATOM 423 C CYS B 7 -3.952 -8.816 -8.601 1.00 25.00 C ATOM 424 O CYS B 7 -4.211 -9.617 -9.511 1.00 25.00 O ATOM 425 CB CYS B 7 -6.011 -7.732 -7.712 1.00 25.00 C ATOM 426 SG CYS B 7 -7.219 -6.379 -7.892 1.00 25.00 S ATOM 0 H CYS B 7 -5.531 -7.694 -10.408 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.091 -6.766 -7.972 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.466 -8.662 -8.052 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -5.776 -7.860 -6.655 1.00 25.00 H new ATOM 431 N GLY B 8 -3.028 -9.054 -7.689 1.00 25.00 N ATOM 432 CA GLY B 8 -2.284 -10.300 -7.690 1.00 25.00 C ATOM 433 C GLY B 8 -1.541 -10.543 -8.987 1.00 25.00 C ATOM 434 O GLY B 8 -0.934 -9.635 -9.554 1.00 25.00 O ATOM 0 H GLY B 8 -2.776 -8.406 -6.943 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -1.571 -10.292 -6.865 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -2.971 -11.127 -7.510 1.00 25.00 H new ATOM 438 N SER B 9 -1.653 -11.760 -9.500 1.00 25.00 N ATOM 439 CA SER B 9 -0.967 -12.161 -10.731 1.00 25.00 C ATOM 440 C SER B 9 -1.367 -11.397 -11.990 1.00 25.00 C ATOM 441 O SER B 9 -0.690 -11.484 -13.005 1.00 25.00 O ATOM 442 CB SER B 9 -1.190 -13.651 -10.965 1.00 25.00 C ATOM 443 OG SER B 9 -1.386 -14.277 -9.709 1.00 25.00 O ATOM 0 H SER B 9 -2.218 -12.498 -9.081 1.00 25.00 H new ATOM 0 HA SER B 9 0.083 -11.918 -10.565 1.00 25.00 H new ATOM 0 HB2 SER B 9 -2.057 -13.808 -11.607 1.00 25.00 H new ATOM 0 HB3 SER B 9 -0.332 -14.087 -11.476 1.00 25.00 H new ATOM 0 HG SER B 9 -1.533 -15.237 -9.841 1.00 25.00 H new ATOM 449 N HIS B 10 -2.444 -10.638 -11.941 1.00 25.00 N ATOM 450 CA HIS B 10 -2.843 -9.830 -13.097 1.00 25.00 C ATOM 451 C HIS B 10 -1.870 -8.673 -13.289 1.00 25.00 C ATOM 452 O HIS B 10 -1.645 -8.227 -14.408 1.00 25.00 O ATOM 453 CB HIS B 10 -4.259 -9.265 -12.912 1.00 25.00 C ATOM 454 CG HIS B 10 -5.261 -9.831 -13.872 1.00 25.00 C ATOM 455 ND1 HIS B 10 -5.921 -9.073 -14.842 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.742 -11.093 -14.040 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.737 -9.865 -15.531 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.643 -11.082 -15.068 1.00 25.00 N ATOM 0 H HIS B 10 -3.057 -10.558 -11.130 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.830 -10.476 -13.975 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.591 -9.465 -11.893 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.227 -8.182 -13.030 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -5.459 -11.958 -13.459 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.375 -9.552 -16.344 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -7.157 -11.891 -15.416 1.00 25.00 H new ATOM 467 N LEU B 11 -1.298 -8.182 -12.198 1.00 25.00 N ATOM 468 CA LEU B 11 -0.383 -7.052 -12.263 1.00 25.00 C ATOM 469 C LEU B 11 0.903 -7.423 -12.998 1.00 25.00 C ATOM 470 O LEU B 11 1.238 -6.813 -14.004 1.00 25.00 O ATOM 471 CB LEU B 11 -0.069 -6.559 -10.847 1.00 25.00 C ATOM 472 CG LEU B 11 -0.428 -5.096 -10.585 1.00 25.00 C ATOM 473 CD1 LEU B 11 -0.483 -4.862 -9.080 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.581 -4.170 -11.226 1.00 25.00 C ATOM 0 H LEU B 11 -1.452 -8.548 -11.259 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.864 -6.250 -12.823 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -0.605 -7.184 -10.132 1.00 25.00 H new ATOM 0 HB3 LEU B 11 0.995 -6.697 -10.656 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.401 -4.881 -11.026 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.738 -3.821 -8.883 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -1.239 -5.511 -8.638 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.489 -5.086 -8.641 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.304 -3.135 -11.026 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.570 -4.367 -10.813 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.597 -4.339 -12.303 1.00 25.00 H new ATOM 486 N VAL B 12 1.591 -8.451 -12.524 1.00 25.00 N ATOM 487 CA VAL B 12 2.819 -8.913 -13.178 1.00 25.00 C ATOM 488 C VAL B 12 2.584 -9.253 -14.653 1.00 25.00 C ATOM 489 O VAL B 12 3.380 -8.892 -15.505 1.00 25.00 O ATOM 490 CB VAL B 12 3.454 -10.138 -12.396 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.386 -11.166 -11.966 1.00 25.00 C ATOM 492 CG2 VAL B 12 4.563 -10.815 -13.215 1.00 25.00 C ATOM 0 H VAL B 12 1.327 -8.982 -11.694 1.00 25.00 H new ATOM 0 HA VAL B 12 3.534 -8.091 -13.149 1.00 25.00 H new ATOM 0 HB VAL B 12 3.903 -9.732 -11.489 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.865 -11.988 -11.434 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.660 -10.684 -11.311 1.00 25.00 H new ATOM 0 HG13 VAL B 12 1.877 -11.553 -12.849 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.976 -11.650 -12.649 1.00 25.00 H new ATOM 0 HG22 VAL B 12 4.149 -11.183 -14.154 1.00 25.00 H new ATOM 0 HG23 VAL B 12 5.353 -10.093 -13.425 1.00 25.00 H new ATOM 502 N GLU B 13 1.461 -9.879 -14.964 1.00 25.00 N ATOM 503 CA GLU B 13 1.129 -10.197 -16.351 1.00 25.00 C ATOM 504 C GLU B 13 0.965 -8.934 -17.196 1.00 25.00 C ATOM 505 O GLU B 13 1.495 -8.851 -18.299 1.00 25.00 O ATOM 506 CB GLU B 13 -0.167 -11.005 -16.421 1.00 25.00 C ATOM 507 CG GLU B 13 0.054 -12.499 -16.295 1.00 25.00 C ATOM 508 CD GLU B 13 0.595 -13.096 -17.560 1.00 25.00 C ATOM 509 OE1 GLU B 13 -0.084 -13.365 -18.506 1.00 25.00 O ATOM 510 OE2 GLU B 13 1.869 -13.262 -17.547 1.00 25.00 O ATOM 0 H GLU B 13 0.764 -10.178 -14.282 1.00 25.00 H new ATOM 0 HA GLU B 13 1.957 -10.783 -16.750 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.837 -10.675 -15.627 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.667 -10.797 -17.367 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.747 -12.695 -15.477 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.888 -12.984 -16.039 1.00 25.00 H new ATOM 518 N ALA B 14 0.259 -7.947 -16.681 1.00 25.00 N ATOM 519 CA ALA B 14 0.054 -6.709 -17.437 1.00 25.00 C ATOM 520 C ALA B 14 1.390 -6.003 -17.662 1.00 25.00 C ATOM 521 O ALA B 14 1.630 -5.457 -18.726 1.00 25.00 O ATOM 522 CB ALA B 14 -0.902 -5.806 -16.691 1.00 25.00 C ATOM 0 H ALA B 14 -0.179 -7.967 -15.760 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.377 -6.951 -18.409 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.051 -4.887 -17.257 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.858 -6.314 -16.565 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.487 -5.566 -15.712 1.00 25.00 H new ATOM 528 N LEU B 15 2.247 -6.018 -16.652 1.00 25.00 N ATOM 529 CA LEU B 15 3.540 -5.353 -16.763 1.00 25.00 C ATOM 530 C LEU B 15 4.469 -6.101 -17.706 1.00 25.00 C ATOM 531 O LEU B 15 5.194 -5.487 -18.465 1.00 25.00 O ATOM 532 CB LEU B 15 4.182 -5.193 -15.382 1.00 25.00 C ATOM 533 CG LEU B 15 3.373 -4.301 -14.427 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.001 -4.224 -13.035 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.246 -2.906 -15.002 1.00 25.00 C ATOM 0 H LEU B 15 2.076 -6.476 -15.757 1.00 25.00 H new ATOM 0 HA LEU B 15 3.371 -4.362 -17.183 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.303 -6.178 -14.931 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.180 -4.772 -15.501 1.00 25.00 H new ATOM 0 HG LEU B 15 2.387 -4.753 -14.322 1.00 25.00 H new ATOM 0 HD11 LEU B 15 3.393 -3.583 -12.397 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.051 -5.223 -12.603 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.007 -3.811 -13.112 1.00 25.00 H new ATOM 0 HD21 LEU B 15 2.671 -2.282 -14.318 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.239 -2.477 -15.138 1.00 25.00 H new ATOM 0 HD23 LEU B 15 2.737 -2.954 -15.964 1.00 25.00 H new ATOM 547 N TYR B 16 4.404 -7.419 -17.718 1.00 25.00 N ATOM 548 CA TYR B 16 5.177 -8.196 -18.680 1.00 25.00 C ATOM 549 C TYR B 16 4.737 -7.846 -20.097 1.00 25.00 C ATOM 550 O TYR B 16 5.562 -7.659 -20.978 1.00 25.00 O ATOM 551 CB TYR B 16 4.982 -9.693 -18.448 1.00 25.00 C ATOM 552 CG TYR B 16 5.572 -10.542 -19.554 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.975 -10.684 -19.691 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.740 -11.192 -20.482 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.522 -11.461 -20.735 1.00 25.00 C ATOM 556 CE2 TYR B 16 5.288 -11.981 -21.522 1.00 25.00 C ATOM 557 CZ TYR B 16 6.673 -12.112 -21.642 1.00 25.00 C ATOM 558 OH TYR B 16 7.213 -12.862 -22.662 1.00 25.00 O ATOM 0 H TYR B 16 3.831 -7.973 -17.081 1.00 25.00 H new ATOM 0 HA TYR B 16 6.232 -7.953 -18.549 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.441 -9.971 -17.499 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.917 -9.907 -18.362 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.633 -10.193 -18.989 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.668 -11.088 -20.401 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.593 -11.554 -20.835 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.635 -12.481 -22.222 1.00 25.00 H new ATOM 0 HH TYR B 16 6.492 -13.248 -23.202 1.00 25.00 H new ATOM 568 N LEU B 17 3.437 -7.734 -20.308 1.00 25.00 N ATOM 569 CA LEU B 17 2.924 -7.388 -21.634 1.00 25.00 C ATOM 570 C LEU B 17 3.261 -5.949 -22.042 1.00 25.00 C ATOM 571 O LEU B 17 3.572 -5.694 -23.201 1.00 25.00 O ATOM 572 CB LEU B 17 1.404 -7.595 -21.691 1.00 25.00 C ATOM 573 CG LEU B 17 0.935 -9.057 -21.578 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.578 -9.097 -21.353 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.300 -9.867 -22.829 1.00 25.00 C ATOM 0 H LEU B 17 2.722 -7.874 -19.594 1.00 25.00 H new ATOM 0 HA LEU B 17 3.417 -8.054 -22.342 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.945 -7.020 -20.887 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.033 -7.183 -22.629 1.00 25.00 H new ATOM 0 HG LEU B 17 1.446 -9.510 -20.729 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.907 -10.133 -21.273 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.823 -8.567 -20.433 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.083 -8.619 -22.192 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.953 -10.894 -22.712 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.825 -9.421 -23.703 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.382 -9.863 -22.962 1.00 25.00 H new ATOM 587 N VAL B 18 3.162 -5.004 -21.112 1.00 25.00 N ATOM 588 CA VAL B 18 3.333 -3.580 -21.447 1.00 25.00 C ATOM 589 C VAL B 18 4.798 -3.112 -21.454 1.00 25.00 C ATOM 590 O VAL B 18 5.134 -2.134 -22.140 1.00 25.00 O ATOM 591 CB VAL B 18 2.480 -2.684 -20.489 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.194 -2.406 -19.163 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.114 -1.375 -21.152 1.00 25.00 C ATOM 0 H VAL B 18 2.966 -5.188 -20.128 1.00 25.00 H new ATOM 0 HA VAL B 18 2.976 -3.470 -22.471 1.00 25.00 H new ATOM 0 HB VAL B 18 1.571 -3.245 -20.271 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.561 -1.780 -18.533 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.395 -3.348 -18.653 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.135 -1.891 -19.357 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.521 -0.772 -20.464 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.023 -0.835 -21.417 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.534 -1.573 -22.053 1.00 25.00 H new ATOM 603 N CYS B 19 5.672 -3.790 -20.715 1.00 25.00 N ATOM 604 CA CYS B 19 7.082 -3.384 -20.611 1.00 25.00 C ATOM 605 C CYS B 19 8.026 -4.388 -21.277 1.00 25.00 C ATOM 606 O CYS B 19 9.222 -4.114 -21.481 1.00 25.00 O ATOM 607 CB CYS B 19 7.461 -3.197 -19.144 1.00 25.00 C ATOM 608 SG CYS B 19 6.457 -1.901 -18.352 1.00 25.00 S ATOM 0 H CYS B 19 5.435 -4.624 -20.177 1.00 25.00 H new ATOM 0 HA CYS B 19 7.191 -2.439 -21.142 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.328 -4.138 -18.610 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.517 -2.936 -19.071 1.00 25.00 H new ATOM 613 N GLY B 20 7.485 -5.542 -21.639 1.00 25.00 N ATOM 614 CA GLY B 20 8.237 -6.545 -22.371 1.00 25.00 C ATOM 615 C GLY B 20 9.409 -7.129 -21.606 1.00 25.00 C ATOM 616 O GLY B 20 9.339 -7.392 -20.409 1.00 25.00 O ATOM 0 H GLY B 20 6.521 -5.806 -21.435 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.563 -7.354 -22.652 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.607 -6.102 -23.296 1.00 25.00 H new ATOM 620 N GLU B 21 10.509 -7.302 -22.318 1.00 25.00 N ATOM 621 CA GLU B 21 11.728 -7.907 -21.772 1.00 25.00 C ATOM 622 C GLU B 21 12.392 -7.058 -20.678 1.00 25.00 C ATOM 623 O GLU B 21 13.293 -7.529 -19.995 1.00 25.00 O ATOM 624 CB GLU B 21 12.746 -8.123 -22.893 1.00 25.00 C ATOM 625 CG GLU B 21 12.284 -9.093 -23.972 1.00 25.00 C ATOM 626 CD GLU B 21 13.279 -9.237 -25.092 1.00 25.00 C ATOM 627 OE1 GLU B 21 14.416 -9.558 -24.930 1.00 25.00 O ATOM 628 OE2 GLU B 21 12.800 -8.929 -26.247 1.00 25.00 O ATOM 0 H GLU B 21 10.590 -7.028 -23.297 1.00 25.00 H new ATOM 0 HA GLU B 21 11.423 -8.851 -21.322 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.971 -7.162 -23.355 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.675 -8.494 -22.460 1.00 25.00 H new ATOM 0 HG2 GLU B 21 12.105 -10.070 -23.523 1.00 25.00 H new ATOM 0 HG3 GLU B 21 11.333 -8.750 -24.379 1.00 25.00 H new ATOM 636 N ARG B 22 11.972 -5.799 -20.523 1.00 25.00 N ATOM 637 CA ARG B 22 12.591 -4.933 -19.522 1.00 25.00 C ATOM 638 C ARG B 22 12.098 -5.237 -18.116 1.00 25.00 C ATOM 639 O ARG B 22 12.751 -4.843 -17.149 1.00 25.00 O ATOM 640 CB ARG B 22 12.324 -3.463 -19.820 1.00 25.00 C ATOM 641 CG ARG B 22 13.043 -2.954 -21.073 1.00 25.00 C ATOM 642 CD ARG B 22 13.249 -1.448 -21.013 1.00 25.00 C ATOM 643 NE ARG B 22 14.130 -1.074 -19.887 1.00 25.00 N ATOM 644 CZ ARG B 22 15.461 -1.021 -19.932 1.00 25.00 C ATOM 645 NH1 ARG B 22 16.147 -1.275 -21.024 1.00 25.00 N ATOM 646 NH2 ARG B 22 16.119 -0.707 -18.853 1.00 25.00 N ATOM 0 H ARG B 22 11.224 -5.367 -21.065 1.00 25.00 H new ATOM 0 HA ARG B 22 13.661 -5.133 -19.573 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.251 -3.314 -19.940 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.635 -2.864 -18.964 1.00 25.00 H new ATOM 0 HG2 ARG B 22 14.007 -3.452 -21.170 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.461 -3.210 -21.959 1.00 25.00 H new ATOM 0 HD2 ARG B 22 13.684 -1.100 -21.950 1.00 25.00 H new ATOM 0 HD3 ARG B 22 12.285 -0.950 -20.905 1.00 25.00 H new ATOM 0 HE ARG B 22 13.682 -0.837 -19.002 1.00 25.00 H new ATOM 0 HH11 ARG B 22 15.661 -1.525 -21.885 1.00 25.00 H new ATOM 0 HH12 ARG B 22 17.166 -1.222 -21.010 1.00 25.00 H new ATOM 0 HH21 ARG B 22 15.616 -0.506 -17.989 1.00 25.00 H new ATOM 0 HH22 ARG B 22 17.138 -0.662 -18.872 1.00 25.00 H new ATOM 660 N GLY B 23 10.950 -5.875 -18.002 1.00 25.00 N ATOM 661 CA GLY B 23 10.389 -6.140 -16.689 1.00 25.00 C ATOM 662 C GLY B 23 9.937 -4.858 -16.010 1.00 25.00 C ATOM 663 O GLY B 23 9.726 -3.838 -16.664 1.00 25.00 O ATOM 0 H GLY B 23 10.394 -6.215 -18.787 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.543 -6.821 -16.784 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.133 -6.640 -16.068 1.00 25.00 H new ATOM 667 N PHE B 24 9.783 -4.925 -14.697 1.00 25.00 N ATOM 668 CA PHE B 24 9.319 -3.800 -13.887 1.00 25.00 C ATOM 669 C PHE B 24 10.060 -3.895 -12.560 1.00 25.00 C ATOM 670 O PHE B 24 10.719 -4.904 -12.307 1.00 25.00 O ATOM 671 CB PHE B 24 7.811 -3.908 -13.663 1.00 25.00 C ATOM 672 CG PHE B 24 7.382 -5.226 -13.066 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.314 -5.407 -11.670 1.00 25.00 C ATOM 674 CD2 PHE B 24 7.037 -6.296 -13.914 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.909 -6.651 -11.122 1.00 25.00 C ATOM 676 CE2 PHE B 24 6.628 -7.536 -13.386 1.00 25.00 C ATOM 677 CZ PHE B 24 6.573 -7.721 -11.987 1.00 25.00 C ATOM 0 H PHE B 24 9.977 -5.767 -14.155 1.00 25.00 H new ATOM 0 HA PHE B 24 9.512 -2.846 -14.377 1.00 25.00 H new ATOM 0 HB2 PHE B 24 7.491 -3.100 -13.006 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.300 -3.766 -14.615 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.573 -4.591 -11.011 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.087 -6.164 -14.985 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.857 -6.782 -10.051 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.357 -8.344 -14.050 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.276 -8.675 -11.578 1.00 25.00 H new ATOM 687 N PHE B 25 9.962 -2.878 -11.716 1.00 25.00 N ATOM 688 CA PHE B 25 10.622 -2.923 -10.416 1.00 25.00 C ATOM 689 C PHE B 25 9.783 -3.683 -9.400 1.00 25.00 C ATOM 690 O PHE B 25 8.707 -3.245 -8.980 1.00 25.00 O ATOM 691 CB PHE B 25 10.913 -1.522 -9.872 1.00 25.00 C ATOM 692 CG PHE B 25 11.753 -1.539 -8.616 1.00 25.00 C ATOM 693 CD1 PHE B 25 11.147 -1.635 -7.342 1.00 25.00 C ATOM 694 CD2 PHE B 25 13.156 -1.493 -8.698 1.00 25.00 C ATOM 695 CE1 PHE B 25 11.941 -1.692 -6.169 1.00 25.00 C ATOM 696 CE2 PHE B 25 13.963 -1.540 -7.533 1.00 25.00 C ATOM 697 CZ PHE B 25 13.350 -1.642 -6.261 1.00 25.00 C ATOM 0 H PHE B 25 9.440 -2.022 -11.902 1.00 25.00 H new ATOM 0 HA PHE B 25 11.568 -3.442 -10.570 1.00 25.00 H new ATOM 0 HB2 PHE B 25 11.426 -0.940 -10.638 1.00 25.00 H new ATOM 0 HB3 PHE B 25 9.970 -1.015 -9.665 1.00 25.00 H new ATOM 0 HD1 PHE B 25 10.070 -1.665 -7.262 1.00 25.00 H new ATOM 0 HD2 PHE B 25 13.628 -1.420 -9.667 1.00 25.00 H new ATOM 0 HE1 PHE B 25 11.467 -1.774 -5.202 1.00 25.00 H new ATOM 0 HE2 PHE B 25 15.039 -1.498 -7.616 1.00 25.00 H new ATOM 0 HZ PHE B 25 13.955 -1.681 -5.367 1.00 25.00 H new HETATM 707 N NVA B 26 10.331 -4.816 -8.979 1.00 25.00 N HETATM 708 CA NVA B 26 9.796 -5.646 -7.882 1.00 25.00 C HETATM 709 CB NVA B 26 9.892 -7.163 -8.233 1.00 25.00 C HETATM 710 CG NVA B 26 8.989 -8.015 -7.292 1.00 25.00 C HETATM 711 CD NVA B 26 9.295 -9.540 -7.382 1.00 25.00 C HETATM 712 C NVA B 26 10.525 -5.326 -6.546 1.00 25.00 C HETATM 713 O NVA B 26 11.739 -5.246 -6.453 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.127 -7.681 -6.263 1.00 25.00 H new HETATM 0 HG2 NVA B 26 7.943 -7.843 -7.546 1.00 25.00 H new HETATM 0 HD3 NVA B 26 9.131 -9.884 -8.403 1.00 25.00 H new HETATM 0 HB3 NVA B 26 9.592 -7.319 -9.269 1.00 25.00 H new HETATM 0 HB2 NVA B 26 10.927 -7.494 -8.147 1.00 25.00 H new HETATM 0 HA NVA B 26 8.741 -5.405 -7.753 1.00 25.00 H new HETATM 0 H NVA B 26 10.697 -5.259 -9.822 1.00 25.00 H new ATOM 722 N THR B 27 9.719 -5.119 -5.480 1.00 25.00 N ATOM 723 CA THR B 27 10.203 -4.894 -4.121 1.00 25.00 C ATOM 724 C THR B 27 10.704 -6.244 -3.599 1.00 25.00 C ATOM 725 O THR B 27 10.358 -7.275 -4.147 1.00 25.00 O ATOM 726 CB THR B 27 9.057 -4.378 -3.247 1.00 25.00 C ATOM 727 OG1 THR B 27 7.895 -5.176 -3.478 1.00 25.00 O ATOM 728 CG2 THR B 27 8.714 -2.930 -3.593 1.00 25.00 C ATOM 0 H THR B 27 8.702 -5.106 -5.553 1.00 25.00 H new ATOM 0 HA THR B 27 11.002 -4.153 -4.101 1.00 25.00 H new ATOM 0 HB THR B 27 9.371 -4.435 -2.205 1.00 25.00 H new ATOM 0 HG1 THR B 27 7.158 -4.851 -2.919 1.00 25.00 H new ATOM 0 HG21 THR B 27 7.897 -2.588 -2.958 1.00 25.00 H new ATOM 0 HG22 THR B 27 9.588 -2.300 -3.430 1.00 25.00 H new ATOM 0 HG23 THR B 27 8.411 -2.868 -4.638 1.00 25.00 H new ATOM 736 N PRO B 28 11.542 -6.263 -2.540 1.00 25.00 N ATOM 737 CA PRO B 28 12.014 -7.598 -2.156 1.00 25.00 C ATOM 738 C PRO B 28 10.906 -8.517 -1.621 1.00 25.00 C ATOM 739 O PRO B 28 10.077 -8.125 -0.795 1.00 25.00 O ATOM 740 CB PRO B 28 13.062 -7.292 -1.081 1.00 25.00 C ATOM 741 CG PRO B 28 12.634 -5.997 -0.497 1.00 25.00 C ATOM 742 CD PRO B 28 12.132 -5.214 -1.691 1.00 25.00 C ATOM 0 HA PRO B 28 12.403 -8.152 -3.010 1.00 25.00 H new ATOM 0 HB2 PRO B 28 13.094 -8.076 -0.325 1.00 25.00 H new ATOM 0 HB3 PRO B 28 14.061 -7.222 -1.511 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.852 -6.133 0.250 1.00 25.00 H new ATOM 0 HG3 PRO B 28 13.461 -5.487 -0.003 1.00 25.00 H new ATOM 0 HD2 PRO B 28 11.395 -4.464 -1.403 1.00 25.00 H new ATOM 0 HD3 PRO B 28 12.940 -4.688 -2.199 1.00 25.00 H new HETATM 750 N HIX B 29 10.912 -9.749 -2.149 1.00 25.00 N HETATM 751 CA HIX B 29 9.955 -10.828 -1.837 1.00 25.00 C HETATM 752 C HIX B 29 10.252 -11.473 -0.460 1.00 25.00 C HETATM 753 O HIX B 29 10.885 -12.511 -0.302 1.00 25.00 O HETATM 754 CB HIX B 29 9.900 -11.882 -2.983 1.00 25.00 C HETATM 755 CG HIX B 29 9.316 -11.266 -4.236 1.00 25.00 C HETATM 756 CD2 HIX B 29 10.045 -10.647 -5.227 1.00 25.00 C HETATM 757 ND1 HIX B 29 7.992 -11.203 -4.622 1.00 25.00 N HETATM 758 NE1 HIX B 29 7.762 -10.550 -5.841 1.00 25.00 N HETATM 759 NE2 HIX B 29 9.103 -10.253 -6.131 1.00 25.00 N ATOM 766 N THR B 30 9.773 -10.771 0.586 1.00 25.00 N ATOM 767 CA THR B 30 9.991 -11.104 2.016 1.00 25.00 C ATOM 768 C THR B 30 8.704 -11.061 2.801 1.00 25.00 C ATOM 769 O THR B 30 8.376 -11.906 3.589 1.00 25.00 O ATOM 770 CB THR B 30 11.041 -10.170 2.661 1.00 25.00 C ATOM 771 OG1 THR B 30 11.818 -9.542 1.656 1.00 25.00 O ATOM 772 CG2 THR B 30 12.004 -10.944 3.563 1.00 25.00 C ATOM 773 OXT THR B 30 7.952 -10.034 2.587 1.00 25.00 O ATOM 0 H THR B 30 9.207 -9.932 0.460 1.00 25.00 H new ATOM 0 HA THR B 30 10.373 -12.124 2.047 1.00 25.00 H new ATOM 0 HB THR B 30 10.492 -9.436 3.251 1.00 25.00 H new ATOM 0 HG1 THR B 30 12.479 -8.951 2.075 1.00 25.00 H new ATOM 0 HG21 THR B 30 12.728 -10.255 3.999 1.00 25.00 H new ATOM 0 HG22 THR B 30 11.443 -11.433 4.360 1.00 25.00 H new ATOM 0 HG23 THR B 30 12.529 -11.696 2.974 1.00 25.00 H new TER 782 THR B 30