USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 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: A 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 5 GLN : amide:sc= 1.44 K(o=2.2,f=0.56) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.747 K(o=2.2,f=0.78) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0448 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 32:sc= 0.1 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0448 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.59 K(o=0.59,f=-0.82) USER MOD Single : B 1 PHE N :NH3+ -140:sc= 0.998 (180deg=-0.705) USER MOD Single : B 3 ASN : amide:sc= 0.0179 X(o=0.018,f=-0.23) USER MOD Single : B 4 GLN : amide:sc= 0.414 K(o=0.41,f=-0.14) USER MOD Single : B 5 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-3.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.222 K(o=-0.22,f=-1) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : B 26 TYR OH : rot 166:sc= 0 USER MOD Single : B 27 THR OG1 : rot 46:sc= 0.127 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.101 4.742 1.229 1.00 0.00 N ATOM 2 CA GLY A 1 -10.542 3.385 1.021 1.00 0.00 C ATOM 3 C GLY A 1 -9.120 3.419 0.475 1.00 0.00 C ATOM 4 O GLY A 1 -8.695 4.421 -0.100 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.188 4.929 2.248 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.468 5.447 0.800 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.039 4.803 0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.552 2.842 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.180 2.834 0.330 1.00 0.00 H new ATOM 10 N ILE A 2 -8.378 2.318 0.642 1.00 0.00 N ATOM 11 CA ILE A 2 -6.967 2.142 0.221 1.00 0.00 C ATOM 12 C ILE A 2 -6.805 2.106 -1.308 1.00 0.00 C ATOM 13 O ILE A 2 -6.221 3.017 -1.896 1.00 0.00 O ATOM 14 CB ILE A 2 -6.340 0.913 0.952 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.948 0.499 0.422 1.00 0.00 C ATOM 16 CG2 ILE A 2 -7.220 -0.356 0.960 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.898 1.605 0.509 1.00 0.00 C ATOM 0 H ILE A 2 -8.753 1.484 1.093 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.402 3.022 0.529 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.250 1.295 1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.598 -0.366 0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.045 0.184 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.701 -1.155 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.164 -0.141 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.417 -0.669 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.949 1.237 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.224 2.463 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.770 1.905 1.549 1.00 0.00 H new ATOM 29 N VAL A 3 -7.347 1.080 -1.967 1.00 0.00 N ATOM 30 CA VAL A 3 -7.133 0.810 -3.405 1.00 0.00 C ATOM 31 C VAL A 3 -7.758 1.888 -4.311 1.00 0.00 C ATOM 32 O VAL A 3 -7.368 2.033 -5.465 1.00 0.00 O ATOM 33 CB VAL A 3 -7.624 -0.615 -3.764 1.00 0.00 C ATOM 34 CG1 VAL A 3 -9.157 -0.723 -3.851 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.975 -1.160 -5.045 1.00 0.00 C ATOM 0 H VAL A 3 -7.958 0.398 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.060 0.856 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.300 -1.240 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.436 -1.745 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.596 -0.456 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.527 -0.044 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.356 -2.161 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.215 -0.504 -5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.894 -1.203 -4.915 1.00 0.00 H new ATOM 45 N GLU A 4 -8.691 2.682 -3.770 1.00 0.00 N ATOM 46 CA GLU A 4 -9.323 3.819 -4.447 1.00 0.00 C ATOM 47 C GLU A 4 -8.354 5.007 -4.650 1.00 0.00 C ATOM 48 O GLU A 4 -8.585 5.835 -5.533 1.00 0.00 O ATOM 49 CB GLU A 4 -10.550 4.242 -3.614 1.00 0.00 C ATOM 50 CG GLU A 4 -11.555 5.149 -4.339 1.00 0.00 C ATOM 51 CD GLU A 4 -12.246 4.437 -5.516 1.00 0.00 C ATOM 52 OE1 GLU A 4 -13.087 3.538 -5.272 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 -11.976 4.783 -6.691 1.00 0.00 O ATOM 0 H GLU A 4 -9.037 2.546 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.624 3.512 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.070 3.344 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.201 4.757 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.310 5.489 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.040 6.036 -4.707 1.00 0.00 H new ATOM 60 N GLN A 5 -7.268 5.105 -3.865 1.00 0.00 N ATOM 61 CA GLN A 5 -6.333 6.242 -3.921 1.00 0.00 C ATOM 62 C GLN A 5 -4.856 5.851 -4.046 1.00 0.00 C ATOM 63 O GLN A 5 -4.099 6.626 -4.626 1.00 0.00 O ATOM 64 CB GLN A 5 -6.583 7.175 -2.723 1.00 0.00 C ATOM 65 CG GLN A 5 -6.115 6.624 -1.367 1.00 0.00 C ATOM 66 CD GLN A 5 -6.621 7.494 -0.217 1.00 0.00 C ATOM 67 OE1 GLN A 5 -6.064 8.536 0.112 1.00 0.00 O ATOM 68 NE2 GLN A 5 -7.710 7.115 0.420 1.00 0.00 N ATOM 0 H GLN A 5 -7.013 4.399 -3.174 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.543 6.773 -4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.078 8.123 -2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.650 7.389 -2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.476 5.603 -1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.026 6.582 -1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.181 6.250 0.155 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.082 7.686 1.179 1.00 0.00 H new ATOM 77 N CYS A 6 -4.436 4.669 -3.578 1.00 0.00 N ATOM 78 CA CYS A 6 -3.066 4.169 -3.787 1.00 0.00 C ATOM 79 C CYS A 6 -2.937 3.179 -4.955 1.00 0.00 C ATOM 80 O CYS A 6 -1.949 2.452 -5.027 1.00 0.00 O ATOM 81 CB CYS A 6 -2.499 3.573 -2.498 1.00 0.00 C ATOM 82 SG CYS A 6 -2.379 4.702 -1.078 1.00 0.00 S ATOM 0 H CYS A 6 -5.030 4.033 -3.046 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.471 5.038 -4.068 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.120 2.725 -2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.504 3.182 -2.710 1.00 0.00 H new ATOM 87 N CYS A 7 -3.910 3.121 -5.869 1.00 0.00 N ATOM 88 CA CYS A 7 -3.836 2.260 -7.055 1.00 0.00 C ATOM 89 C CYS A 7 -4.712 2.772 -8.222 1.00 0.00 C ATOM 90 O CYS A 7 -5.937 2.814 -8.099 1.00 0.00 O ATOM 91 CB CYS A 7 -4.209 0.823 -6.654 1.00 0.00 C ATOM 92 SG CYS A 7 -4.401 -0.360 -8.018 1.00 0.00 S ATOM 0 H CYS A 7 -4.769 3.668 -5.809 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.812 2.280 -7.429 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.443 0.445 -5.977 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.143 0.854 -6.093 1.00 0.00 H new ATOM 97 N THR A 8 -4.157 3.160 -9.380 1.00 0.00 N ATOM 98 CA THR A 8 -2.745 3.479 -9.668 1.00 0.00 C ATOM 99 C THR A 8 -2.393 4.847 -9.092 1.00 0.00 C ATOM 100 O THR A 8 -3.056 5.838 -9.390 1.00 0.00 O ATOM 101 CB THR A 8 -2.483 3.488 -11.186 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.505 4.192 -11.862 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.429 2.074 -11.764 1.00 0.00 C ATOM 0 H THR A 8 -4.733 3.269 -10.214 1.00 0.00 H new ATOM 0 HA THR A 8 -2.124 2.712 -9.207 1.00 0.00 H new ATOM 0 HB THR A 8 -1.518 3.975 -11.331 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.847 4.907 -11.285 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.242 2.126 -12.837 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.627 1.515 -11.283 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.379 1.571 -11.585 1.00 0.00 H new ATOM 111 N SER A 9 -1.331 4.909 -8.298 1.00 0.00 N ATOM 112 CA SER A 9 -0.772 6.142 -7.715 1.00 0.00 C ATOM 113 C SER A 9 0.607 5.846 -7.096 1.00 0.00 C ATOM 114 O SER A 9 0.984 4.682 -6.943 1.00 0.00 O ATOM 115 CB SER A 9 -1.746 6.757 -6.691 1.00 0.00 C ATOM 116 OG SER A 9 -1.230 7.942 -6.095 1.00 0.00 O ATOM 0 H SER A 9 -0.809 4.075 -8.027 1.00 0.00 H new ATOM 0 HA SER A 9 -0.636 6.882 -8.503 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.692 6.983 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.960 6.025 -5.912 1.00 0.00 H new ATOM 0 HG SER A 9 -1.882 8.297 -5.455 1.00 0.00 H new ATOM 122 N ILE A 10 1.370 6.880 -6.724 1.00 0.00 N ATOM 123 CA ILE A 10 2.585 6.728 -5.902 1.00 0.00 C ATOM 124 C ILE A 10 2.198 6.490 -4.429 1.00 0.00 C ATOM 125 O ILE A 10 2.800 5.663 -3.743 1.00 0.00 O ATOM 126 CB ILE A 10 3.497 7.981 -6.006 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.696 8.552 -7.429 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.867 7.679 -5.364 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.342 7.594 -8.433 1.00 0.00 C ATOM 0 H ILE A 10 1.167 7.846 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 10 3.140 5.869 -6.279 1.00 0.00 H new ATOM 0 HB ILE A 10 2.966 8.764 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.726 8.860 -7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.311 9.449 -7.360 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.505 8.559 -5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.728 7.419 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.337 6.845 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.437 8.089 -9.399 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.330 7.304 -8.075 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.720 6.706 -8.540 1.00 0.00 H new ATOM 141 N CYS A 11 1.208 7.255 -3.945 1.00 0.00 N ATOM 142 CA CYS A 11 0.839 7.495 -2.537 1.00 0.00 C ATOM 143 C CYS A 11 1.982 8.053 -1.665 1.00 0.00 C ATOM 144 O CYS A 11 1.840 9.151 -1.132 1.00 0.00 O ATOM 145 CB CYS A 11 0.152 6.266 -1.912 1.00 0.00 C ATOM 146 SG CYS A 11 -1.653 6.445 -1.853 1.00 0.00 S ATOM 0 H CYS A 11 0.593 7.765 -4.579 1.00 0.00 H new ATOM 0 HA CYS A 11 0.105 8.301 -2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.408 5.377 -2.488 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.533 6.113 -0.902 1.00 0.00 H new ATOM 151 N SER A 12 3.077 7.306 -1.522 1.00 0.00 N ATOM 152 CA SER A 12 4.286 7.602 -0.723 1.00 0.00 C ATOM 153 C SER A 12 4.100 7.330 0.783 1.00 0.00 C ATOM 154 O SER A 12 2.985 7.146 1.278 1.00 0.00 O ATOM 155 CB SER A 12 4.819 9.034 -0.927 1.00 0.00 C ATOM 156 OG SER A 12 5.063 9.323 -2.298 1.00 0.00 O ATOM 0 H SER A 12 3.157 6.406 -1.995 1.00 0.00 H new ATOM 0 HA SER A 12 5.032 6.906 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.099 9.749 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.741 9.161 -0.360 1.00 0.00 H new ATOM 0 HG SER A 12 5.398 10.240 -2.384 1.00 0.00 H new ATOM 162 N LEU A 13 5.214 7.313 1.528 1.00 0.00 N ATOM 163 CA LEU A 13 5.302 6.911 2.941 1.00 0.00 C ATOM 164 C LEU A 13 4.248 7.534 3.865 1.00 0.00 C ATOM 165 O LEU A 13 3.621 6.828 4.647 1.00 0.00 O ATOM 166 CB LEU A 13 6.746 7.159 3.426 1.00 0.00 C ATOM 167 CG LEU A 13 7.256 8.622 3.397 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.174 9.298 4.776 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.716 8.672 2.922 1.00 0.00 C ATOM 0 H LEU A 13 6.118 7.591 1.147 1.00 0.00 H new ATOM 0 HA LEU A 13 5.063 5.849 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.828 6.792 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.417 6.554 2.816 1.00 0.00 H new ATOM 0 HG LEU A 13 6.608 9.161 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.543 10.321 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.138 9.309 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.783 8.743 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.059 9.707 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.340 8.093 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.787 8.252 1.919 1.00 0.00 H new ATOM 181 N TYR A 14 3.999 8.836 3.754 1.00 0.00 N ATOM 182 CA TYR A 14 3.073 9.569 4.630 1.00 0.00 C ATOM 183 C TYR A 14 1.593 9.229 4.381 1.00 0.00 C ATOM 184 O TYR A 14 0.762 9.392 5.275 1.00 0.00 O ATOM 185 CB TYR A 14 3.325 11.071 4.439 1.00 0.00 C ATOM 186 CG TYR A 14 3.400 11.513 2.989 1.00 0.00 C ATOM 187 CD1 TYR A 14 2.223 11.702 2.241 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.657 11.648 2.368 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.295 12.000 0.869 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.739 11.971 1.003 1.00 0.00 C ATOM 191 CZ TYR A 14 3.557 12.156 0.248 1.00 0.00 C ATOM 192 OH TYR A 14 3.641 12.454 -1.080 1.00 0.00 O ATOM 0 H TYR A 14 4.438 9.425 3.046 1.00 0.00 H new ATOM 0 HA TYR A 14 3.269 9.267 5.659 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.529 11.627 4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.258 11.337 4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.260 11.618 2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.560 11.503 2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.390 12.110 0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.704 12.078 0.530 1.00 0.00 H new ATOM 0 HH TYR A 14 4.583 12.526 -1.340 1.00 0.00 H new ATOM 202 N GLN A 15 1.265 8.734 3.185 1.00 0.00 N ATOM 203 CA GLN A 15 -0.048 8.176 2.866 1.00 0.00 C ATOM 204 C GLN A 15 -0.095 6.705 3.281 1.00 0.00 C ATOM 205 O GLN A 15 -1.025 6.294 3.967 1.00 0.00 O ATOM 206 CB GLN A 15 -0.310 8.320 1.357 1.00 0.00 C ATOM 207 CG GLN A 15 -0.952 9.660 0.972 1.00 0.00 C ATOM 208 CD GLN A 15 -2.460 9.651 1.226 1.00 0.00 C ATOM 209 OE1 GLN A 15 -2.945 10.050 2.278 1.00 0.00 O ATOM 210 NE2 GLN A 15 -3.250 9.158 0.290 1.00 0.00 N ATOM 0 H GLN A 15 1.916 8.710 2.400 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.822 8.716 3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.633 8.210 0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.959 7.508 1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.490 10.464 1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.760 9.868 -0.081 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.853 8.824 -0.588 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.257 9.111 0.445 1.00 0.00 H new ATOM 219 N LEU A 16 0.920 5.918 2.911 1.00 0.00 N ATOM 220 CA LEU A 16 0.995 4.477 3.164 1.00 0.00 C ATOM 221 C LEU A 16 1.023 4.128 4.661 1.00 0.00 C ATOM 222 O LEU A 16 0.486 3.096 5.065 1.00 0.00 O ATOM 223 CB LEU A 16 2.233 3.940 2.426 1.00 0.00 C ATOM 224 CG LEU A 16 2.101 3.889 0.888 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.447 3.494 0.262 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.049 2.879 0.422 1.00 0.00 C ATOM 0 H LEU A 16 1.735 6.277 2.413 1.00 0.00 H new ATOM 0 HA LEU A 16 0.090 3.999 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.090 4.563 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.449 2.936 2.791 1.00 0.00 H new ATOM 0 HG LEU A 16 1.792 4.884 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.348 3.460 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.204 4.229 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.745 2.512 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.997 2.884 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.323 1.882 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.077 3.151 0.833 1.00 0.00 H new ATOM 238 N GLU A 17 1.586 4.999 5.497 1.00 0.00 N ATOM 239 CA GLU A 17 1.592 4.849 6.952 1.00 0.00 C ATOM 240 C GLU A 17 0.179 4.871 7.560 1.00 0.00 C ATOM 241 O GLU A 17 -0.065 4.231 8.583 1.00 0.00 O ATOM 242 CB GLU A 17 2.460 5.956 7.559 1.00 0.00 C ATOM 243 CG GLU A 17 2.727 5.732 9.049 1.00 0.00 C ATOM 244 CD GLU A 17 3.783 6.711 9.580 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.430 7.870 9.907 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 4.972 6.328 9.689 1.00 0.00 O ATOM 0 H GLU A 17 2.059 5.844 5.177 1.00 0.00 H new ATOM 0 HA GLU A 17 2.007 3.870 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.409 6.005 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.967 6.918 7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.800 5.855 9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.064 4.708 9.210 1.00 0.00 H new ATOM 253 N ASN A 18 -0.779 5.549 6.921 1.00 0.00 N ATOM 254 CA ASN A 18 -2.171 5.602 7.393 1.00 0.00 C ATOM 255 C ASN A 18 -2.870 4.228 7.412 1.00 0.00 C ATOM 256 O ASN A 18 -3.872 4.057 8.111 1.00 0.00 O ATOM 257 CB ASN A 18 -2.992 6.581 6.540 1.00 0.00 C ATOM 258 CG ASN A 18 -2.500 8.026 6.607 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.001 8.500 7.623 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.653 8.781 5.533 1.00 0.00 N ATOM 0 H ASN A 18 -0.615 6.076 6.064 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.122 5.949 8.425 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.971 6.249 5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.032 6.546 6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.356 9.757 5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.068 8.388 4.688 1.00 0.00 H new ATOM 267 N TYR A 19 -2.348 3.245 6.670 1.00 0.00 N ATOM 268 CA TYR A 19 -2.877 1.877 6.602 1.00 0.00 C ATOM 269 C TYR A 19 -2.038 0.879 7.434 1.00 0.00 C ATOM 270 O TYR A 19 -2.317 -0.321 7.446 1.00 0.00 O ATOM 271 CB TYR A 19 -2.990 1.469 5.125 1.00 0.00 C ATOM 272 CG TYR A 19 -3.571 2.542 4.219 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.960 2.729 4.093 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.691 3.383 3.517 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.461 3.752 3.262 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.177 4.400 2.679 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.569 4.586 2.548 1.00 0.00 C ATOM 278 OH TYR A 19 -5.052 5.565 1.737 1.00 0.00 O ATOM 0 H TYR A 19 -1.524 3.382 6.084 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.869 1.852 7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.000 1.199 4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.611 0.576 5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.642 2.089 4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.625 3.245 3.623 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.527 3.899 3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.490 5.035 2.139 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.305 6.045 1.323 1.00 0.00 H new ATOM 288 N CYS A 20 -1.009 1.367 8.141 1.00 0.00 N ATOM 289 CA CYS A 20 -0.153 0.579 9.036 1.00 0.00 C ATOM 290 C CYS A 20 -0.927 0.130 10.292 1.00 0.00 C ATOM 291 O CYS A 20 -1.635 0.935 10.906 1.00 0.00 O ATOM 292 CB CYS A 20 1.081 1.422 9.389 1.00 0.00 C ATOM 293 SG CYS A 20 2.383 0.643 10.383 1.00 0.00 S ATOM 0 H CYS A 20 -0.742 2.351 8.104 1.00 0.00 H new ATOM 0 HA CYS A 20 0.170 -0.334 8.537 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.531 1.764 8.457 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.739 2.309 9.922 1.00 0.00 H new ATOM 298 N ASN A 21 -0.806 -1.140 10.693 1.00 0.00 N ATOM 299 CA ASN A 21 -1.522 -1.695 11.853 1.00 0.00 C ATOM 300 C ASN A 21 -1.055 -1.050 13.173 1.00 0.00 C ATOM 301 O ASN A 21 0.093 -1.222 13.606 1.00 0.00 O ATOM 302 CB ASN A 21 -1.374 -3.231 11.906 1.00 0.00 C ATOM 303 CG ASN A 21 -2.136 -3.976 10.809 1.00 0.00 C ATOM 304 OD1 ASN A 21 -3.079 -3.477 10.207 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.763 -5.213 10.531 1.00 0.00 N ATOM 0 H ASN A 21 -0.206 -1.817 10.222 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.579 -1.457 11.731 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.316 -3.485 11.834 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.721 -3.584 12.877 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.260 -5.747 9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.978 -5.633 11.029 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 11.177 0.169 -1.983 1.00 0.00 N ATOM 314 CA PHE B 1 10.412 0.095 -3.226 1.00 0.00 C ATOM 315 C PHE B 1 10.670 1.300 -4.149 1.00 0.00 C ATOM 316 O PHE B 1 11.022 2.390 -3.693 1.00 0.00 O ATOM 317 CB PHE B 1 8.913 -0.110 -2.940 1.00 0.00 C ATOM 318 CG PHE B 1 8.253 0.958 -2.093 1.00 0.00 C ATOM 319 CD1 PHE B 1 8.455 0.951 -0.703 1.00 0.00 C ATOM 320 CD2 PHE B 1 7.416 1.929 -2.673 1.00 0.00 C ATOM 321 CE1 PHE B 1 7.803 1.888 0.114 1.00 0.00 C ATOM 322 CE2 PHE B 1 6.761 2.873 -1.857 1.00 0.00 C ATOM 323 CZ PHE B 1 6.943 2.838 -0.461 1.00 0.00 C ATOM 0 H1 PHE B 1 11.535 -0.777 -1.739 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.978 0.821 -2.107 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.564 0.516 -1.218 1.00 0.00 H new ATOM 0 HA PHE B 1 10.765 -0.780 -3.772 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.385 -0.170 -3.892 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.785 -1.072 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.116 0.220 -0.260 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.276 1.951 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.962 1.878 1.182 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.121 3.621 -2.301 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.420 3.543 0.169 1.00 0.00 H new ATOM 333 N VAL B 2 10.477 1.098 -5.456 1.00 0.00 N ATOM 334 CA VAL B 2 10.637 2.133 -6.496 1.00 0.00 C ATOM 335 C VAL B 2 9.521 3.182 -6.370 1.00 0.00 C ATOM 336 O VAL B 2 8.363 2.834 -6.140 1.00 0.00 O ATOM 337 CB VAL B 2 10.652 1.510 -7.920 1.00 0.00 C ATOM 338 CG1 VAL B 2 10.864 2.563 -9.022 1.00 0.00 C ATOM 339 CG2 VAL B 2 11.770 0.457 -8.056 1.00 0.00 C ATOM 0 H VAL B 2 10.199 0.192 -5.834 1.00 0.00 H new ATOM 0 HA VAL B 2 11.599 2.622 -6.345 1.00 0.00 H new ATOM 0 HB VAL B 2 9.673 1.049 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.866 2.075 -9.996 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.058 3.296 -8.985 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.818 3.066 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.756 0.039 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.736 0.926 -7.872 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.610 -0.340 -7.330 1.00 0.00 H new ATOM 349 N ASN B 3 9.855 4.461 -6.584 1.00 0.00 N ATOM 350 CA ASN B 3 8.922 5.603 -6.643 1.00 0.00 C ATOM 351 C ASN B 3 8.072 5.647 -7.940 1.00 0.00 C ATOM 352 O ASN B 3 7.859 6.703 -8.542 1.00 0.00 O ATOM 353 CB ASN B 3 9.694 6.908 -6.370 1.00 0.00 C ATOM 354 CG ASN B 3 10.863 7.148 -7.327 1.00 0.00 C ATOM 355 OD1 ASN B 3 12.013 6.861 -7.012 1.00 0.00 O ATOM 356 ND2 ASN B 3 10.611 7.657 -8.519 1.00 0.00 N ATOM 0 H ASN B 3 10.824 4.745 -6.727 1.00 0.00 H new ATOM 0 HA ASN B 3 8.178 5.474 -5.857 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.003 7.748 -6.438 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.072 6.888 -5.348 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.373 7.812 -9.179 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.654 7.895 -8.780 1.00 0.00 H new ATOM 363 N GLN B 4 7.612 4.480 -8.388 1.00 0.00 N ATOM 364 CA GLN B 4 6.701 4.285 -9.514 1.00 0.00 C ATOM 365 C GLN B 4 5.238 4.350 -9.052 1.00 0.00 C ATOM 366 O GLN B 4 4.944 4.282 -7.857 1.00 0.00 O ATOM 367 CB GLN B 4 6.992 2.918 -10.168 1.00 0.00 C ATOM 368 CG GLN B 4 6.792 1.723 -9.212 1.00 0.00 C ATOM 369 CD GLN B 4 6.867 0.386 -9.941 1.00 0.00 C ATOM 370 OE1 GLN B 4 7.910 -0.251 -10.034 1.00 0.00 O ATOM 371 NE2 GLN B 4 5.769 -0.085 -10.491 1.00 0.00 N ATOM 0 H GLN B 4 7.879 3.598 -7.951 1.00 0.00 H new ATOM 0 HA GLN B 4 6.859 5.082 -10.241 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.342 2.793 -11.034 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.018 2.911 -10.536 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.552 1.753 -8.431 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.824 1.812 -8.718 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.897 0.439 -10.418 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.790 -0.974 -10.990 1.00 0.00 H new ATOM 380 N HIS B 5 4.305 4.381 -10.006 1.00 0.00 N ATOM 381 CA HIS B 5 2.909 4.048 -9.715 1.00 0.00 C ATOM 382 C HIS B 5 2.783 2.563 -9.321 1.00 0.00 C ATOM 383 O HIS B 5 3.320 1.678 -9.999 1.00 0.00 O ATOM 384 CB HIS B 5 2.019 4.428 -10.905 1.00 0.00 C ATOM 385 CG HIS B 5 1.944 5.918 -11.098 1.00 0.00 C ATOM 386 ND1 HIS B 5 1.269 6.795 -10.250 1.00 0.00 N ATOM 387 CD2 HIS B 5 2.580 6.638 -12.067 1.00 0.00 C ATOM 388 CE1 HIS B 5 1.517 8.025 -10.725 1.00 0.00 C ATOM 389 NE2 HIS B 5 2.297 7.964 -11.819 1.00 0.00 N ATOM 0 H HIS B 5 4.488 4.631 -10.978 1.00 0.00 H new ATOM 0 HA HIS B 5 2.563 4.629 -8.860 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.408 3.964 -11.811 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.016 4.031 -10.749 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.186 6.246 -12.870 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.142 8.939 -10.289 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.622 8.759 -12.369 1.00 0.00 H new ATOM 397 N LEU B 6 2.093 2.302 -8.209 1.00 0.00 N ATOM 398 CA LEU B 6 1.952 0.980 -7.594 1.00 0.00 C ATOM 399 C LEU B 6 0.482 0.554 -7.450 1.00 0.00 C ATOM 400 O LEU B 6 -0.433 1.369 -7.580 1.00 0.00 O ATOM 401 CB LEU B 6 2.798 0.924 -6.303 1.00 0.00 C ATOM 402 CG LEU B 6 2.678 2.050 -5.254 1.00 0.00 C ATOM 403 CD1 LEU B 6 1.257 2.184 -4.708 1.00 0.00 C ATOM 404 CD2 LEU B 6 3.625 1.737 -4.094 1.00 0.00 C ATOM 0 H LEU B 6 1.600 3.031 -7.694 1.00 0.00 H new ATOM 0 HA LEU B 6 2.358 0.215 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.562 -0.014 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.845 0.870 -6.603 1.00 0.00 H new ATOM 0 HG LEU B 6 2.937 2.991 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.224 2.989 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.573 2.410 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.959 1.248 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.553 2.524 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.349 0.782 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.649 1.682 -4.465 1.00 0.00 H new ATOM 416 N CYS B 7 0.284 -0.749 -7.236 1.00 0.00 N ATOM 417 CA CYS B 7 -1.001 -1.471 -7.153 1.00 0.00 C ATOM 418 C CYS B 7 -0.760 -2.888 -6.610 1.00 0.00 C ATOM 419 O CYS B 7 0.363 -3.390 -6.706 1.00 0.00 O ATOM 420 CB CYS B 7 -1.646 -1.590 -8.547 1.00 0.00 C ATOM 421 SG CYS B 7 -2.688 -0.222 -9.114 1.00 0.00 S ATOM 0 H CYS B 7 1.074 -1.381 -7.105 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.664 -0.915 -6.491 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.847 -1.727 -9.275 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.249 -2.498 -8.561 1.00 0.00 H new ATOM 426 N GLY B 8 -1.796 -3.546 -6.072 1.00 0.00 N ATOM 427 CA GLY B 8 -1.797 -4.987 -5.763 1.00 0.00 C ATOM 428 C GLY B 8 -0.591 -5.442 -4.942 1.00 0.00 C ATOM 429 O GLY B 8 -0.317 -4.899 -3.871 1.00 0.00 O ATOM 0 H GLY B 8 -2.674 -3.085 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.709 -5.232 -5.218 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -1.823 -5.549 -6.696 1.00 0.00 H new ATOM 433 N SER B 9 0.153 -6.422 -5.451 1.00 0.00 N ATOM 434 CA SER B 9 1.389 -6.928 -4.836 1.00 0.00 C ATOM 435 C SER B 9 2.402 -5.809 -4.539 1.00 0.00 C ATOM 436 O SER B 9 2.866 -5.692 -3.410 1.00 0.00 O ATOM 437 CB SER B 9 2.032 -7.986 -5.746 1.00 0.00 C ATOM 438 OG SER B 9 1.112 -9.031 -6.051 1.00 0.00 O ATOM 0 H SER B 9 -0.087 -6.899 -6.320 1.00 0.00 H new ATOM 0 HA SER B 9 1.113 -7.375 -3.881 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.373 -7.517 -6.669 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.912 -8.404 -5.257 1.00 0.00 H new ATOM 0 HG SER B 9 1.546 -9.690 -6.633 1.00 0.00 H new ATOM 444 N HIS B 10 2.695 -4.917 -5.491 1.00 0.00 N ATOM 445 CA HIS B 10 3.581 -3.765 -5.275 1.00 0.00 C ATOM 446 C HIS B 10 3.082 -2.833 -4.155 1.00 0.00 C ATOM 447 O HIS B 10 3.874 -2.356 -3.343 1.00 0.00 O ATOM 448 CB HIS B 10 3.721 -2.968 -6.577 1.00 0.00 C ATOM 449 CG HIS B 10 5.058 -2.290 -6.684 1.00 0.00 C ATOM 450 ND1 HIS B 10 5.430 -1.085 -6.090 1.00 0.00 N ATOM 451 CD2 HIS B 10 6.114 -2.787 -7.377 1.00 0.00 C ATOM 452 CE1 HIS B 10 6.702 -0.874 -6.467 1.00 0.00 C ATOM 453 NE2 HIS B 10 7.142 -1.881 -7.242 1.00 0.00 N ATOM 0 H HIS B 10 2.323 -4.973 -6.439 1.00 0.00 H new ATOM 0 HA HIS B 10 4.548 -4.160 -4.964 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.585 -3.637 -7.427 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.930 -2.220 -6.630 1.00 0.00 H new ATOM 0 HD2 HIS B 10 6.142 -3.715 -7.929 1.00 0.00 H new ATOM 0 HE1 HIS B 10 7.291 -0.013 -6.186 1.00 0.00 H new ATOM 0 HE2 HIS B 10 8.071 -1.960 -7.656 1.00 0.00 H new ATOM 461 N LEU B 11 1.762 -2.612 -4.077 1.00 0.00 N ATOM 462 CA LEU B 11 1.140 -1.831 -3.003 1.00 0.00 C ATOM 463 C LEU B 11 1.281 -2.551 -1.649 1.00 0.00 C ATOM 464 O LEU B 11 1.658 -1.914 -0.674 1.00 0.00 O ATOM 465 CB LEU B 11 -0.324 -1.508 -3.372 1.00 0.00 C ATOM 466 CG LEU B 11 -1.133 -0.774 -2.281 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.487 0.544 -1.827 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.543 -0.486 -2.817 1.00 0.00 C ATOM 0 H LEU B 11 1.095 -2.972 -4.760 1.00 0.00 H new ATOM 0 HA LEU B 11 1.660 -0.880 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.328 -0.898 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.834 -2.440 -3.614 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.163 -1.428 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.107 1.008 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.504 0.342 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.399 1.218 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.123 0.033 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.473 0.139 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.035 -1.425 -3.071 1.00 0.00 H new ATOM 480 N VAL B 12 1.063 -3.867 -1.592 1.00 0.00 N ATOM 481 CA VAL B 12 1.289 -4.696 -0.384 1.00 0.00 C ATOM 482 C VAL B 12 2.757 -4.647 0.070 1.00 0.00 C ATOM 483 O VAL B 12 3.023 -4.484 1.260 1.00 0.00 O ATOM 484 CB VAL B 12 0.856 -6.167 -0.626 1.00 0.00 C ATOM 485 CG1 VAL B 12 1.301 -7.150 0.473 1.00 0.00 C ATOM 486 CG2 VAL B 12 -0.668 -6.281 -0.778 1.00 0.00 C ATOM 0 H VAL B 12 0.720 -4.403 -2.389 1.00 0.00 H new ATOM 0 HA VAL B 12 0.673 -4.276 0.411 1.00 0.00 H new ATOM 0 HB VAL B 12 1.364 -6.448 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.957 -8.154 0.224 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.389 -7.147 0.545 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.873 -6.846 1.428 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.940 -7.323 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.152 -5.922 0.130 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.995 -5.679 -1.626 1.00 0.00 H new ATOM 496 N GLU B 13 3.699 -4.755 -0.870 1.00 0.00 N ATOM 497 CA GLU B 13 5.141 -4.651 -0.624 1.00 0.00 C ATOM 498 C GLU B 13 5.505 -3.264 -0.073 1.00 0.00 C ATOM 499 O GLU B 13 6.200 -3.163 0.936 1.00 0.00 O ATOM 500 CB GLU B 13 5.923 -4.905 -1.928 1.00 0.00 C ATOM 501 CG GLU B 13 5.831 -6.343 -2.457 1.00 0.00 C ATOM 502 CD GLU B 13 6.854 -7.269 -1.784 1.00 0.00 C ATOM 503 OE1 GLU B 13 8.000 -7.375 -2.282 1.00 0.00 O ATOM 504 OE2 GLU B 13 6.516 -7.910 -0.760 1.00 0.00 O1- ATOM 0 H GLU B 13 3.474 -4.922 -1.851 1.00 0.00 H new ATOM 0 HA GLU B 13 5.411 -5.405 0.116 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.554 -4.225 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.972 -4.659 -1.761 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.826 -6.728 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU B 13 5.995 -6.344 -3.535 1.00 0.00 H new ATOM 511 N ALA B 14 4.998 -2.196 -0.696 1.00 0.00 N ATOM 512 CA ALA B 14 5.218 -0.815 -0.285 1.00 0.00 C ATOM 513 C ALA B 14 4.666 -0.551 1.122 1.00 0.00 C ATOM 514 O ALA B 14 5.388 -0.055 1.990 1.00 0.00 O ATOM 515 CB ALA B 14 4.564 0.087 -1.337 1.00 0.00 C ATOM 0 H ALA B 14 4.407 -2.276 -1.523 1.00 0.00 H new ATOM 0 HA ALA B 14 6.285 -0.602 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.709 1.132 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.020 -0.098 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.497 -0.130 -1.389 1.00 0.00 H new ATOM 521 N LEU B 15 3.411 -0.938 1.373 1.00 0.00 N ATOM 522 CA LEU B 15 2.764 -0.819 2.678 1.00 0.00 C ATOM 523 C LEU B 15 3.572 -1.515 3.777 1.00 0.00 C ATOM 524 O LEU B 15 3.825 -0.913 4.818 1.00 0.00 O ATOM 525 CB LEU B 15 1.338 -1.396 2.597 1.00 0.00 C ATOM 526 CG LEU B 15 0.288 -0.480 1.960 1.00 0.00 C ATOM 527 CD1 LEU B 15 -0.996 -1.267 1.706 1.00 0.00 C ATOM 528 CD2 LEU B 15 -0.016 0.712 2.869 1.00 0.00 C ATOM 0 H LEU B 15 2.808 -1.350 0.661 1.00 0.00 H new ATOM 0 HA LEU B 15 2.712 0.237 2.942 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.374 -2.327 2.031 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.010 -1.649 3.605 1.00 0.00 H new ATOM 0 HG LEU B 15 0.684 -0.106 1.016 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.740 -0.612 1.253 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.786 -2.098 1.033 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.379 -1.653 2.651 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.764 1.349 2.396 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.397 0.353 3.825 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.896 1.285 3.034 1.00 0.00 H new ATOM 540 N TYR B 16 4.042 -2.741 3.535 1.00 0.00 N ATOM 541 CA TYR B 16 4.926 -3.459 4.458 1.00 0.00 C ATOM 542 C TYR B 16 6.271 -2.735 4.666 1.00 0.00 C ATOM 543 O TYR B 16 6.726 -2.609 5.803 1.00 0.00 O ATOM 544 CB TYR B 16 5.133 -4.892 3.947 1.00 0.00 C ATOM 545 CG TYR B 16 6.277 -5.612 4.637 1.00 0.00 C ATOM 546 CD1 TYR B 16 6.147 -6.033 5.976 1.00 0.00 C ATOM 547 CD2 TYR B 16 7.505 -5.770 3.968 1.00 0.00 C ATOM 548 CE1 TYR B 16 7.242 -6.611 6.646 1.00 0.00 C ATOM 549 CE2 TYR B 16 8.607 -6.339 4.633 1.00 0.00 C ATOM 550 CZ TYR B 16 8.479 -6.764 5.976 1.00 0.00 C ATOM 551 OH TYR B 16 9.549 -7.310 6.619 1.00 0.00 O ATOM 0 H TYR B 16 3.819 -3.266 2.690 1.00 0.00 H new ATOM 0 HA TYR B 16 4.448 -3.490 5.437 1.00 0.00 H new ATOM 0 HB2 TYR B 16 4.214 -5.460 4.093 1.00 0.00 H new ATOM 0 HB3 TYR B 16 5.324 -4.865 2.874 1.00 0.00 H new ATOM 0 HD1 TYR B 16 5.205 -5.912 6.489 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.602 -5.453 2.940 1.00 0.00 H new ATOM 0 HE1 TYR B 16 7.138 -6.937 7.670 1.00 0.00 H new ATOM 0 HE2 TYR B 16 9.550 -6.451 4.118 1.00 0.00 H new ATOM 0 HH TYR B 16 10.316 -7.341 6.010 1.00 0.00 H new ATOM 561 N LEU B 17 6.894 -2.221 3.598 1.00 0.00 N ATOM 562 CA LEU B 17 8.185 -1.525 3.664 1.00 0.00 C ATOM 563 C LEU B 17 8.098 -0.174 4.394 1.00 0.00 C ATOM 564 O LEU B 17 9.036 0.188 5.105 1.00 0.00 O ATOM 565 CB LEU B 17 8.745 -1.384 2.236 1.00 0.00 C ATOM 566 CG LEU B 17 9.350 -2.700 1.693 1.00 0.00 C ATOM 567 CD1 LEU B 17 9.596 -2.585 0.184 1.00 0.00 C ATOM 568 CD2 LEU B 17 10.672 -3.069 2.388 1.00 0.00 C ATOM 0 H LEU B 17 6.512 -2.277 2.654 1.00 0.00 H new ATOM 0 HA LEU B 17 8.874 -2.122 4.262 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.948 -1.055 1.570 1.00 0.00 H new ATOM 0 HB3 LEU B 17 9.510 -0.607 2.226 1.00 0.00 H new ATOM 0 HG LEU B 17 8.627 -3.489 1.902 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.022 -3.517 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.652 -2.389 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU B 17 10.289 -1.767 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.055 -4.000 1.971 1.00 0.00 H new ATOM 0 HD22 LEU B 17 11.401 -2.274 2.230 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.498 -3.195 3.457 1.00 0.00 H new ATOM 580 N VAL B 18 6.973 0.538 4.281 1.00 0.00 N ATOM 581 CA VAL B 18 6.683 1.751 5.073 1.00 0.00 C ATOM 582 C VAL B 18 6.400 1.401 6.539 1.00 0.00 C ATOM 583 O VAL B 18 7.016 1.964 7.444 1.00 0.00 O ATOM 584 CB VAL B 18 5.482 2.530 4.488 1.00 0.00 C ATOM 585 CG1 VAL B 18 5.042 3.720 5.357 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.848 3.060 3.101 1.00 0.00 C ATOM 0 H VAL B 18 6.226 0.291 3.632 1.00 0.00 H new ATOM 0 HA VAL B 18 7.570 2.383 5.025 1.00 0.00 H new ATOM 0 HB VAL B 18 4.650 1.827 4.447 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.196 4.221 4.887 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.749 3.361 6.344 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.869 4.423 5.457 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.003 3.609 2.687 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.709 3.724 3.181 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.094 2.225 2.446 1.00 0.00 H new ATOM 596 N CYS B 19 5.457 0.485 6.773 1.00 0.00 N ATOM 597 CA CYS B 19 4.952 0.154 8.113 1.00 0.00 C ATOM 598 C CYS B 19 5.981 -0.561 9.010 1.00 0.00 C ATOM 599 O CYS B 19 6.065 -0.276 10.207 1.00 0.00 O ATOM 600 CB CYS B 19 3.695 -0.708 7.940 1.00 0.00 C ATOM 601 SG CYS B 19 2.811 -1.123 9.464 1.00 0.00 S ATOM 0 H CYS B 19 5.015 -0.056 6.029 1.00 0.00 H new ATOM 0 HA CYS B 19 4.728 1.088 8.629 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.008 -0.186 7.274 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.979 -1.635 7.442 1.00 0.00 H new ATOM 606 N GLY B 20 6.776 -1.474 8.439 1.00 0.00 N ATOM 607 CA GLY B 20 7.709 -2.342 9.164 1.00 0.00 C ATOM 608 C GLY B 20 6.987 -3.537 9.792 1.00 0.00 C ATOM 609 O GLY B 20 6.177 -4.198 9.139 1.00 0.00 O ATOM 0 H GLY B 20 6.788 -1.633 7.432 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.481 -2.699 8.482 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.212 -1.768 9.943 1.00 0.00 H new ATOM 613 N GLU B 21 7.297 -3.826 11.058 1.00 0.00 N ATOM 614 CA GLU B 21 6.660 -4.898 11.837 1.00 0.00 C ATOM 615 C GLU B 21 5.153 -4.649 12.051 1.00 0.00 C ATOM 616 O GLU B 21 4.680 -3.513 11.987 1.00 0.00 O ATOM 617 CB GLU B 21 7.371 -5.075 13.192 1.00 0.00 C ATOM 618 CG GLU B 21 8.823 -5.549 13.039 1.00 0.00 C ATOM 619 CD GLU B 21 9.472 -5.785 14.412 1.00 0.00 C ATOM 620 OE1 GLU B 21 10.044 -4.829 14.987 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 9.420 -6.929 14.924 1.00 0.00 O ATOM 0 H GLU B 21 8.008 -3.316 11.582 1.00 0.00 H new ATOM 0 HA GLU B 21 6.757 -5.817 11.258 1.00 0.00 H new ATOM 0 HB2 GLU B 21 7.357 -4.128 13.732 1.00 0.00 H new ATOM 0 HB3 GLU B 21 6.819 -5.795 13.796 1.00 0.00 H new ATOM 0 HG2 GLU B 21 8.849 -6.470 12.457 1.00 0.00 H new ATOM 0 HG3 GLU B 21 9.396 -4.805 12.485 1.00 0.00 H new ATOM 628 N ARG B 22 4.404 -5.738 12.290 1.00 0.00 N ATOM 629 CA ARG B 22 2.947 -5.820 12.538 1.00 0.00 C ATOM 630 C ARG B 22 2.092 -5.710 11.259 1.00 0.00 C ATOM 631 O ARG B 22 0.925 -6.115 11.278 1.00 0.00 O ATOM 632 CB ARG B 22 2.458 -4.810 13.599 1.00 0.00 C ATOM 633 CG ARG B 22 3.218 -4.829 14.937 1.00 0.00 C ATOM 634 CD ARG B 22 3.169 -6.189 15.643 1.00 0.00 C ATOM 635 NE ARG B 22 3.845 -6.133 16.951 1.00 0.00 N ATOM 636 CZ ARG B 22 3.990 -7.140 17.807 1.00 0.00 C ATOM 637 NH1 ARG B 22 3.519 -8.344 17.557 1.00 0.00 N1+ ATOM 638 NH2 ARG B 22 4.622 -6.942 18.944 1.00 0.00 N ATOM 0 H ARG B 22 4.834 -6.663 12.318 1.00 0.00 H new ATOM 0 HA ARG B 22 2.801 -6.824 12.936 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.526 -3.807 13.178 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.404 -5.002 13.798 1.00 0.00 H new ATOM 0 HG2 ARG B 22 4.258 -4.557 14.760 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.798 -4.070 15.596 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.131 -6.494 15.779 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.644 -6.944 15.017 1.00 0.00 H new ATOM 0 HE ARG B 22 4.240 -5.234 17.227 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.025 -8.527 16.684 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.648 -9.094 18.237 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.998 -6.020 19.165 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.736 -7.711 19.605 1.00 0.00 H new ATOM 652 N GLY B 23 2.657 -5.219 10.149 1.00 0.00 N ATOM 653 CA GLY B 23 2.039 -5.222 8.816 1.00 0.00 C ATOM 654 C GLY B 23 0.857 -4.261 8.675 1.00 0.00 C ATOM 655 O GLY B 23 0.692 -3.321 9.448 1.00 0.00 O ATOM 0 H GLY B 23 3.585 -4.796 10.153 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.796 -4.962 8.076 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.702 -6.233 8.586 1.00 0.00 H new ATOM 659 N HIS B 24 0.030 -4.499 7.663 1.00 0.00 N ATOM 660 CA HIS B 24 -1.131 -3.676 7.298 1.00 0.00 C ATOM 661 C HIS B 24 -2.389 -4.529 7.026 1.00 0.00 C ATOM 662 O HIS B 24 -2.302 -5.742 6.802 1.00 0.00 O ATOM 663 CB HIS B 24 -0.748 -2.824 6.079 1.00 0.00 C ATOM 664 CG HIS B 24 -0.261 -3.643 4.918 1.00 0.00 C ATOM 665 ND1 HIS B 24 -1.063 -4.180 3.917 1.00 0.00 N ATOM 666 CD2 HIS B 24 1.042 -3.938 4.654 1.00 0.00 C ATOM 667 CE1 HIS B 24 -0.214 -4.778 3.064 1.00 0.00 C ATOM 668 NE2 HIS B 24 1.056 -4.660 3.486 1.00 0.00 N ATOM 0 H HIS B 24 0.150 -5.302 7.046 1.00 0.00 H new ATOM 0 HA HIS B 24 -1.392 -3.029 8.135 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -1.613 -2.239 5.766 1.00 0.00 H new ATOM 0 HB3 HIS B 24 0.029 -2.116 6.368 1.00 0.00 H new ATOM 0 HD2 HIS B 24 1.899 -3.658 5.249 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -0.513 -5.286 2.159 1.00 0.00 H new ATOM 0 HE2 HIS B 24 1.882 -5.039 3.022 1.00 0.00 H new ATOM 676 N PHE B 25 -3.565 -3.895 7.057 1.00 0.00 N ATOM 677 CA PHE B 25 -4.864 -4.563 6.903 1.00 0.00 C ATOM 678 C PHE B 25 -5.284 -4.800 5.439 1.00 0.00 C ATOM 679 O PHE B 25 -6.215 -5.567 5.189 1.00 0.00 O ATOM 680 CB PHE B 25 -5.922 -3.777 7.697 1.00 0.00 C ATOM 681 CG PHE B 25 -5.987 -2.284 7.427 1.00 0.00 C ATOM 682 CD1 PHE B 25 -6.533 -1.800 6.221 1.00 0.00 C ATOM 683 CD2 PHE B 25 -5.517 -1.373 8.394 1.00 0.00 C ATOM 684 CE1 PHE B 25 -6.617 -0.417 5.989 1.00 0.00 C ATOM 685 CE2 PHE B 25 -5.620 0.010 8.168 1.00 0.00 C ATOM 686 CZ PHE B 25 -6.179 0.488 6.972 1.00 0.00 C ATOM 0 H PHE B 25 -3.644 -2.887 7.192 1.00 0.00 H new ATOM 0 HA PHE B 25 -4.770 -5.569 7.311 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.901 -4.207 7.484 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.733 -3.926 8.760 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.888 -2.494 5.473 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -5.077 -1.738 9.310 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.018 -0.049 5.056 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.269 0.706 8.915 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.273 1.551 6.807 1.00 0.00 H new ATOM 696 N TYR B 26 -4.609 -4.184 4.460 1.00 0.00 N ATOM 697 CA TYR B 26 -4.836 -4.432 3.030 1.00 0.00 C ATOM 698 C TYR B 26 -4.121 -5.714 2.561 1.00 0.00 C ATOM 699 O TYR B 26 -3.001 -5.681 2.048 1.00 0.00 O ATOM 700 CB TYR B 26 -4.418 -3.195 2.220 1.00 0.00 C ATOM 701 CG TYR B 26 -4.475 -3.392 0.712 1.00 0.00 C ATOM 702 CD1 TYR B 26 -5.705 -3.564 0.049 1.00 0.00 C ATOM 703 CD2 TYR B 26 -3.278 -3.467 -0.024 1.00 0.00 C ATOM 704 CE1 TYR B 26 -5.736 -3.795 -1.342 1.00 0.00 C ATOM 705 CE2 TYR B 26 -3.296 -3.674 -1.412 1.00 0.00 C ATOM 706 CZ TYR B 26 -4.529 -3.833 -2.081 1.00 0.00 C ATOM 707 OH TYR B 26 -4.549 -4.040 -3.428 1.00 0.00 O ATOM 0 H TYR B 26 -3.882 -3.492 4.640 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.899 -4.601 2.861 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.065 -2.361 2.491 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.403 -2.916 2.501 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.628 -3.519 0.608 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -2.332 -3.364 0.487 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.681 -3.943 -1.844 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.370 -3.712 -1.966 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.674 -3.815 -3.807 1.00 0.00 H new ATOM 717 N THR B 27 -4.782 -6.864 2.720 1.00 0.00 N ATOM 718 CA THR B 27 -4.294 -8.173 2.256 1.00 0.00 C ATOM 719 C THR B 27 -5.240 -8.705 1.165 1.00 0.00 C ATOM 720 O THR B 27 -6.197 -9.415 1.489 1.00 0.00 O ATOM 721 CB THR B 27 -4.085 -9.125 3.445 1.00 0.00 C ATOM 722 OG1 THR B 27 -5.239 -9.178 4.256 1.00 0.00 O ATOM 723 CG2 THR B 27 -2.908 -8.642 4.309 1.00 0.00 C ATOM 0 H THR B 27 -5.689 -6.916 3.183 1.00 0.00 H new ATOM 0 HA THR B 27 -3.310 -8.081 1.795 1.00 0.00 H new ATOM 0 HB THR B 27 -3.877 -10.117 3.043 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.033 -9.276 3.690 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.769 -9.324 5.148 1.00 0.00 H new ATOM 0 HG22 THR B 27 -2.000 -8.618 3.706 1.00 0.00 H new ATOM 0 HG23 THR B 27 -3.120 -7.641 4.686 1.00 0.00 H new ATOM 731 N PRO B 28 -5.031 -8.320 -0.115 1.00 0.00 N ATOM 732 CA PRO B 28 -5.931 -8.637 -1.223 1.00 0.00 C ATOM 733 C PRO B 28 -5.861 -10.130 -1.608 1.00 0.00 C ATOM 734 O PRO B 28 -4.862 -10.799 -1.347 1.00 0.00 O ATOM 735 CB PRO B 28 -5.490 -7.733 -2.382 1.00 0.00 C ATOM 736 CG PRO B 28 -3.998 -7.540 -2.124 1.00 0.00 C ATOM 737 CD PRO B 28 -3.937 -7.485 -0.600 1.00 0.00 C ATOM 0 HA PRO B 28 -6.972 -8.460 -0.952 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.674 -8.200 -3.350 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.026 -6.784 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.406 -8.362 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -3.621 -6.624 -2.580 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.977 -7.852 -0.236 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.043 -6.460 -0.244 1.00 0.00 H new ATOM 745 N LYS B 29 -6.881 -10.699 -2.261 1.00 0.00 N ATOM 746 CA LYS B 29 -8.162 -10.074 -2.626 1.00 0.00 C ATOM 747 C LYS B 29 -9.126 -9.976 -1.420 1.00 0.00 C ATOM 748 O LYS B 29 -9.303 -10.944 -0.671 1.00 0.00 O ATOM 749 CB LYS B 29 -8.766 -10.879 -3.794 1.00 0.00 C ATOM 750 CG LYS B 29 -10.008 -10.205 -4.403 1.00 0.00 C ATOM 751 CD LYS B 29 -10.622 -11.009 -5.560 1.00 0.00 C ATOM 752 CE LYS B 29 -9.682 -11.102 -6.773 1.00 0.00 C ATOM 753 NZ LYS B 29 -10.314 -11.830 -7.904 1.00 0.00 N1+ ATOM 0 H LYS B 29 -6.833 -11.670 -2.569 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.994 -9.044 -2.941 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.011 -11.008 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -9.034 -11.875 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.759 -10.068 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.736 -9.212 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.863 -12.014 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.559 -10.544 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.404 -10.099 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -8.762 -11.609 -6.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.650 -11.873 -8.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.556 -12.796 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.178 -11.332 -8.198 1.00 0.00 H new ATOM 767 N THR B 30 -9.744 -8.802 -1.242 1.00 0.00 N ATOM 768 CA THR B 30 -10.653 -8.459 -0.126 1.00 0.00 C ATOM 769 C THR B 30 -11.943 -9.288 -0.141 1.00 0.00 C ATOM 770 O THR B 30 -12.274 -9.894 0.903 1.00 0.00 O ATOM 771 CB THR B 30 -10.993 -6.963 -0.153 1.00 0.00 C ATOM 772 OG1 THR B 30 -9.795 -6.219 -0.291 1.00 0.00 O ATOM 773 CG2 THR B 30 -11.683 -6.494 1.129 1.00 0.00 C ATOM 774 OXT THR B 30 -12.621 -9.336 -1.193 1.00 0.00 O1- ATOM 0 H THR B 30 -9.623 -8.028 -1.896 1.00 0.00 H new ATOM 0 HA THR B 30 -10.124 -8.698 0.796 1.00 0.00 H new ATOM 0 HB THR B 30 -11.673 -6.805 -0.990 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.005 -5.262 -0.311 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.901 -5.428 1.056 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.613 -7.046 1.265 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.027 -6.673 1.981 1.00 0.00 H new TER 782 THR B 30