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: B 4 GLN : amide:sc= 1.04 K(o=1,f=-5.1!) USER MOD Set 1.2: B 10 HIS : no HD1:sc=-0.00235 X(o=1,f=1) USER MOD Set 2.1: A 12 SER OG : rot -154:sc= 0.633 USER MOD Set 2.2: B 3 ASN : amide:sc= 0.575 K(o=1.2,f=-2.6!) USER MOD Set 3.1: A 5 GLN : amide:sc= 0.74 K(o=0.74,f=0.0023) USER MOD Set 3.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -158:sc= 1.19 (180deg=0.973) USER MOD Single : A 8 THR OG1 : rot 75:sc= 0.484 USER MOD Single : A 9 SER OG : rot -101:sc= 0.0669 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 1.17 K(o=1.2,f=-2.7!) USER MOD Single : A 18 ASN : amide:sc= 0.695 K(o=0.7,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.41 K(o=0.41,f=-1.1) USER MOD Single : B 1 PHE N :NH3+ -143:sc= 0.492 (180deg=0.00642) USER MOD Single : B 5 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-0.9) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= -1.35 X(o=-1.3,f=-1) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 46:sc= 0.103 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 -11.351 4.264 0.725 1.00 0.00 N ATOM 2 CA GLY A 1 -10.505 3.054 0.635 1.00 0.00 C ATOM 3 C GLY A 1 -9.118 3.353 0.082 1.00 0.00 C ATOM 4 O GLY A 1 -8.779 4.504 -0.202 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.108 4.108 1.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.769 5.073 1.022 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.772 4.463 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.410 2.607 1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.996 2.318 -0.002 1.00 0.00 H new ATOM 10 N ILE A 2 -8.282 2.315 -0.049 1.00 0.00 N ATOM 11 CA ILE A 2 -6.854 2.438 -0.417 1.00 0.00 C ATOM 12 C ILE A 2 -6.598 2.439 -1.930 1.00 0.00 C ATOM 13 O ILE A 2 -5.924 3.341 -2.417 1.00 0.00 O ATOM 14 CB ILE A 2 -6.016 1.384 0.350 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.507 1.581 0.087 1.00 0.00 C ATOM 16 CG2 ILE A 2 -6.429 -0.073 0.073 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.620 0.682 0.954 1.00 0.00 C ATOM 0 H ILE A 2 -8.577 1.350 0.098 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.520 3.427 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.226 1.557 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.299 1.381 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.246 2.623 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.794 -0.747 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.469 -0.218 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.317 -0.287 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.572 0.870 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.801 0.899 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.855 -0.363 0.753 1.00 0.00 H new ATOM 29 N VAL A 3 -7.130 1.486 -2.701 1.00 0.00 N ATOM 30 CA VAL A 3 -6.801 1.307 -4.119 1.00 0.00 C ATOM 31 C VAL A 3 -7.290 2.460 -5.011 1.00 0.00 C ATOM 32 O VAL A 3 -6.640 2.778 -6.005 1.00 0.00 O ATOM 33 CB VAL A 3 -7.330 -0.053 -4.621 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.542 -1.224 -4.009 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.841 -0.260 -4.413 1.00 0.00 C ATOM 0 H VAL A 3 -7.809 0.809 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.714 1.319 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.171 -0.035 -5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.941 -2.166 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.491 -1.139 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.635 -1.197 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.130 -1.240 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.073 -0.200 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.391 0.513 -4.949 1.00 0.00 H new ATOM 45 N GLU A 4 -8.359 3.163 -4.615 1.00 0.00 N ATOM 46 CA GLU A 4 -8.830 4.387 -5.286 1.00 0.00 C ATOM 47 C GLU A 4 -7.869 5.586 -5.117 1.00 0.00 C ATOM 48 O GLU A 4 -8.075 6.639 -5.724 1.00 0.00 O ATOM 49 CB GLU A 4 -10.261 4.721 -4.830 1.00 0.00 C ATOM 50 CG GLU A 4 -10.332 5.278 -3.403 1.00 0.00 C ATOM 51 CD GLU A 4 -11.780 5.388 -2.909 1.00 0.00 C ATOM 52 OE1 GLU A 4 -12.558 6.208 -3.455 1.00 0.00 O ATOM 53 OE2 GLU A 4 -12.138 4.667 -1.949 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.929 2.897 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.844 4.186 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.693 5.448 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.873 3.821 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.766 4.632 -2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.861 6.261 -3.372 1.00 0.00 H new ATOM 60 N GLN A 5 -6.818 5.436 -4.300 1.00 0.00 N ATOM 61 CA GLN A 5 -5.749 6.415 -4.099 1.00 0.00 C ATOM 62 C GLN A 5 -4.402 5.813 -4.532 1.00 0.00 C ATOM 63 O GLN A 5 -3.775 6.305 -5.468 1.00 0.00 O ATOM 64 CB GLN A 5 -5.719 6.840 -2.615 1.00 0.00 C ATOM 65 CG GLN A 5 -7.017 7.532 -2.165 1.00 0.00 C ATOM 66 CD GLN A 5 -6.982 7.922 -0.686 1.00 0.00 C ATOM 67 OE1 GLN A 5 -6.530 8.998 -0.309 1.00 0.00 O ATOM 68 NE2 GLN A 5 -7.452 7.076 0.211 1.00 0.00 N ATOM 0 H GLN A 5 -6.687 4.594 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.935 7.299 -4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.548 5.961 -1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.878 7.514 -2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.180 8.424 -2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.862 6.867 -2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.831 6.177 -0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.436 7.321 1.201 1.00 0.00 H new ATOM 77 N CYS A 6 -3.958 4.735 -3.877 1.00 0.00 N ATOM 78 CA CYS A 6 -2.587 4.214 -3.967 1.00 0.00 C ATOM 79 C CYS A 6 -2.297 3.408 -5.247 1.00 0.00 C ATOM 80 O CYS A 6 -1.174 3.420 -5.754 1.00 0.00 O ATOM 81 CB CYS A 6 -2.346 3.356 -2.720 1.00 0.00 C ATOM 82 SG CYS A 6 -0.626 2.912 -2.362 1.00 0.00 S ATOM 0 H CYS A 6 -4.554 4.188 -3.256 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.904 5.062 -4.018 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.747 3.888 -1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.921 2.436 -2.823 1.00 0.00 H new ATOM 87 N CYS A 7 -3.319 2.734 -5.790 1.00 0.00 N ATOM 88 CA CYS A 7 -3.253 2.053 -7.094 1.00 0.00 C ATOM 89 C CYS A 7 -3.636 2.983 -8.264 1.00 0.00 C ATOM 90 O CYS A 7 -3.180 2.776 -9.394 1.00 0.00 O ATOM 91 CB CYS A 7 -4.135 0.792 -7.032 1.00 0.00 C ATOM 92 SG CYS A 7 -4.231 -0.215 -8.541 1.00 0.00 S ATOM 0 H CYS A 7 -4.226 2.644 -5.333 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.222 1.760 -7.293 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.767 0.159 -6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.146 1.097 -6.762 1.00 0.00 H new ATOM 97 N THR A 8 -4.442 4.021 -7.992 1.00 0.00 N ATOM 98 CA THR A 8 -4.967 4.981 -8.983 1.00 0.00 C ATOM 99 C THR A 8 -3.986 6.118 -9.276 1.00 0.00 C ATOM 100 O THR A 8 -3.922 6.583 -10.413 1.00 0.00 O ATOM 101 CB THR A 8 -6.322 5.516 -8.500 1.00 0.00 C ATOM 102 OG1 THR A 8 -7.221 4.428 -8.438 1.00 0.00 O ATOM 103 CG2 THR A 8 -6.953 6.548 -9.437 1.00 0.00 C ATOM 0 H THR A 8 -4.759 4.224 -7.044 1.00 0.00 H new ATOM 0 HA THR A 8 -5.103 4.456 -9.928 1.00 0.00 H new ATOM 0 HB THR A 8 -6.142 5.999 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.018 3.880 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.907 6.877 -9.026 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.286 7.404 -9.537 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.116 6.099 -10.417 1.00 0.00 H new ATOM 111 N SER A 9 -3.206 6.556 -8.290 1.00 0.00 N ATOM 112 CA SER A 9 -2.196 7.617 -8.432 1.00 0.00 C ATOM 113 C SER A 9 -0.871 7.267 -7.715 1.00 0.00 C ATOM 114 O SER A 9 -0.708 6.174 -7.164 1.00 0.00 O ATOM 115 CB SER A 9 -2.785 8.942 -7.919 1.00 0.00 C ATOM 116 OG SER A 9 -2.010 10.054 -8.358 1.00 0.00 O ATOM 0 H SER A 9 -3.256 6.177 -7.344 1.00 0.00 H new ATOM 0 HA SER A 9 -1.945 7.718 -9.488 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.811 9.048 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.823 8.929 -6.830 1.00 0.00 H new ATOM 0 HG SER A 9 -1.432 10.358 -7.628 1.00 0.00 H new ATOM 122 N ILE A 10 0.096 8.194 -7.723 1.00 0.00 N ATOM 123 CA ILE A 10 1.408 8.043 -7.070 1.00 0.00 C ATOM 124 C ILE A 10 1.238 7.858 -5.554 1.00 0.00 C ATOM 125 O ILE A 10 0.497 8.605 -4.906 1.00 0.00 O ATOM 126 CB ILE A 10 2.322 9.248 -7.398 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.598 9.400 -8.915 1.00 0.00 C ATOM 128 CG2 ILE A 10 3.653 9.187 -6.621 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.366 8.241 -9.566 1.00 0.00 C ATOM 0 H ILE A 10 -0.013 9.092 -8.194 1.00 0.00 H new ATOM 0 HA ILE A 10 1.891 7.147 -7.460 1.00 0.00 H new ATOM 0 HB ILE A 10 1.770 10.131 -7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.645 9.516 -9.430 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.160 10.320 -9.074 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.265 10.051 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.450 9.194 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.186 8.273 -6.883 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.506 8.448 -10.627 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.339 8.134 -9.086 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.800 7.317 -9.448 1.00 0.00 H new ATOM 141 N CYS A 11 1.939 6.872 -4.990 1.00 0.00 N ATOM 142 CA CYS A 11 1.803 6.434 -3.602 1.00 0.00 C ATOM 143 C CYS A 11 3.169 6.201 -2.935 1.00 0.00 C ATOM 144 O CYS A 11 3.960 5.369 -3.383 1.00 0.00 O ATOM 145 CB CYS A 11 0.965 5.156 -3.605 1.00 0.00 C ATOM 146 SG CYS A 11 0.328 4.672 -1.982 1.00 0.00 S ATOM 0 H CYS A 11 2.640 6.340 -5.505 1.00 0.00 H new ATOM 0 HA CYS A 11 1.313 7.212 -3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.124 5.289 -4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.570 4.341 -4.002 1.00 0.00 H new ATOM 151 N SER A 12 3.438 6.927 -1.852 1.00 0.00 N ATOM 152 CA SER A 12 4.724 6.919 -1.132 1.00 0.00 C ATOM 153 C SER A 12 4.555 6.739 0.388 1.00 0.00 C ATOM 154 O SER A 12 3.436 6.718 0.902 1.00 0.00 O ATOM 155 CB SER A 12 5.472 8.224 -1.437 1.00 0.00 C ATOM 156 OG SER A 12 5.796 8.293 -2.819 1.00 0.00 O ATOM 0 H SER A 12 2.753 7.557 -1.434 1.00 0.00 H new ATOM 0 HA SER A 12 5.299 6.061 -1.480 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.856 9.079 -1.157 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.382 8.278 -0.840 1.00 0.00 H new ATOM 0 HG SER A 12 6.587 8.859 -2.942 1.00 0.00 H new ATOM 162 N LEU A 13 5.667 6.612 1.128 1.00 0.00 N ATOM 163 CA LEU A 13 5.707 6.274 2.562 1.00 0.00 C ATOM 164 C LEU A 13 4.722 7.049 3.450 1.00 0.00 C ATOM 165 O LEU A 13 4.046 6.460 4.289 1.00 0.00 O ATOM 166 CB LEU A 13 7.165 6.391 3.056 1.00 0.00 C ATOM 167 CG LEU A 13 7.828 7.789 2.960 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.794 8.543 4.299 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.292 7.658 2.514 1.00 0.00 C ATOM 0 H LEU A 13 6.597 6.746 0.732 1.00 0.00 H new ATOM 0 HA LEU A 13 5.357 5.246 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.197 6.071 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.773 5.687 2.488 1.00 0.00 H new ATOM 0 HG LEU A 13 7.254 8.355 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.270 9.516 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.759 8.681 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.328 7.967 5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.743 8.648 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.840 7.054 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.333 7.178 1.536 1.00 0.00 H new ATOM 181 N TYR A 14 4.589 8.355 3.233 1.00 0.00 N ATOM 182 CA TYR A 14 3.727 9.237 4.027 1.00 0.00 C ATOM 183 C TYR A 14 2.224 9.052 3.750 1.00 0.00 C ATOM 184 O TYR A 14 1.393 9.370 4.601 1.00 0.00 O ATOM 185 CB TYR A 14 4.148 10.688 3.753 1.00 0.00 C ATOM 186 CG TYR A 14 4.322 11.041 2.290 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.201 11.356 1.505 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.601 10.993 1.702 1.00 0.00 C ATOM 189 CE1 TYR A 14 3.343 11.587 0.125 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.756 11.248 0.328 1.00 0.00 C ATOM 191 CZ TYR A 14 4.626 11.551 -0.468 1.00 0.00 C ATOM 192 OH TYR A 14 4.777 11.780 -1.802 1.00 0.00 O ATOM 0 H TYR A 14 5.085 8.843 2.487 1.00 0.00 H new ATOM 0 HA TYR A 14 3.861 8.976 5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.402 11.354 4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.087 10.882 4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.225 11.421 1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.464 10.760 2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.473 11.792 -0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.738 11.213 -0.120 1.00 0.00 H new ATOM 0 HH TYR A 14 5.726 11.717 -2.039 1.00 0.00 H new ATOM 202 N GLN A 15 1.873 8.525 2.577 1.00 0.00 N ATOM 203 CA GLN A 15 0.516 8.104 2.226 1.00 0.00 C ATOM 204 C GLN A 15 0.277 6.687 2.759 1.00 0.00 C ATOM 205 O GLN A 15 -0.727 6.456 3.429 1.00 0.00 O ATOM 206 CB GLN A 15 0.374 8.129 0.696 1.00 0.00 C ATOM 207 CG GLN A 15 0.236 9.521 0.072 1.00 0.00 C ATOM 208 CD GLN A 15 0.600 9.454 -1.410 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.759 9.295 -1.771 1.00 0.00 O ATOM 210 NE2 GLN A 15 -0.353 9.487 -2.317 1.00 0.00 N ATOM 0 H GLN A 15 2.544 8.375 1.823 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.219 8.776 2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.244 7.638 0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.498 7.537 0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.785 9.885 0.190 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.888 10.228 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.324 9.619 -2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.121 9.381 -3.305 1.00 0.00 H new ATOM 219 N LEU A 16 1.221 5.765 2.533 1.00 0.00 N ATOM 220 CA LEU A 16 1.170 4.364 2.958 1.00 0.00 C ATOM 221 C LEU A 16 1.000 4.204 4.475 1.00 0.00 C ATOM 222 O LEU A 16 0.307 3.291 4.926 1.00 0.00 O ATOM 223 CB LEU A 16 2.469 3.695 2.483 1.00 0.00 C ATOM 224 CG LEU A 16 2.532 3.440 0.965 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.965 3.067 0.580 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.607 2.295 0.546 1.00 0.00 C ATOM 0 H LEU A 16 2.078 5.987 2.027 1.00 0.00 H new ATOM 0 HA LEU A 16 0.294 3.890 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.313 4.322 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.586 2.745 3.004 1.00 0.00 H new ATOM 0 HG LEU A 16 2.211 4.350 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.018 2.885 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.637 3.884 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.263 2.166 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.679 2.145 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.904 1.381 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.579 2.543 0.810 1.00 0.00 H new ATOM 238 N GLU A 17 1.587 5.107 5.262 1.00 0.00 N ATOM 239 CA GLU A 17 1.474 5.114 6.721 1.00 0.00 C ATOM 240 C GLU A 17 0.019 5.237 7.217 1.00 0.00 C ATOM 241 O GLU A 17 -0.321 4.732 8.285 1.00 0.00 O ATOM 242 CB GLU A 17 2.334 6.256 7.279 1.00 0.00 C ATOM 243 CG GLU A 17 2.616 6.078 8.773 1.00 0.00 C ATOM 244 CD GLU A 17 3.569 7.164 9.293 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.101 8.284 9.608 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.791 6.904 9.403 1.00 0.00 O1- ATOM 0 H GLU A 17 2.163 5.866 4.898 1.00 0.00 H new ATOM 0 HA GLU A 17 1.833 4.152 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.277 6.301 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.826 7.207 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.679 6.116 9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.051 5.094 8.949 1.00 0.00 H new ATOM 253 N ASN A 18 -0.873 5.847 6.431 1.00 0.00 N ATOM 254 CA ASN A 18 -2.301 5.954 6.765 1.00 0.00 C ATOM 255 C ASN A 18 -3.030 4.595 6.798 1.00 0.00 C ATOM 256 O ASN A 18 -4.098 4.485 7.405 1.00 0.00 O ATOM 257 CB ASN A 18 -3.004 6.903 5.787 1.00 0.00 C ATOM 258 CG ASN A 18 -2.499 8.335 5.909 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.937 9.108 6.752 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.549 8.712 5.076 1.00 0.00 N ATOM 0 H ASN A 18 -0.627 6.283 5.542 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.349 6.356 7.777 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.849 6.551 4.767 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.078 6.882 5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.170 9.657 5.129 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.193 8.058 4.379 1.00 0.00 H new ATOM 267 N TYR A 19 -2.456 3.558 6.177 1.00 0.00 N ATOM 268 CA TYR A 19 -2.979 2.184 6.162 1.00 0.00 C ATOM 269 C TYR A 19 -2.123 1.222 7.020 1.00 0.00 C ATOM 270 O TYR A 19 -2.322 0.006 6.998 1.00 0.00 O ATOM 271 CB TYR A 19 -3.119 1.710 4.705 1.00 0.00 C ATOM 272 CG TYR A 19 -3.533 2.787 3.714 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.874 3.204 3.600 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.546 3.406 2.927 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.220 4.234 2.701 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.876 4.436 2.030 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.220 4.855 1.914 1.00 0.00 C ATOM 278 OH TYR A 19 -4.543 5.844 1.034 1.00 0.00 O ATOM 0 H TYR A 19 -1.586 3.654 5.653 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.966 2.178 6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.167 1.288 4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.852 0.904 4.670 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.638 2.734 4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.518 3.085 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.249 4.550 2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.107 4.904 1.433 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.732 6.156 0.580 1.00 0.00 H new ATOM 288 N CYS A 20 -1.164 1.762 7.785 1.00 0.00 N ATOM 289 CA CYS A 20 -0.323 1.015 8.730 1.00 0.00 C ATOM 290 C CYS A 20 -1.114 0.613 9.992 1.00 0.00 C ATOM 291 O CYS A 20 -1.903 1.406 10.514 1.00 0.00 O ATOM 292 CB CYS A 20 0.907 1.875 9.065 1.00 0.00 C ATOM 293 SG CYS A 20 2.120 1.208 10.236 1.00 0.00 S ATOM 0 H CYS A 20 -0.946 2.758 7.763 1.00 0.00 H new ATOM 0 HA CYS A 20 0.007 0.081 8.276 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.428 2.091 8.132 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.551 2.827 9.459 1.00 0.00 H new ATOM 298 N ASN A 21 -0.897 -0.603 10.509 1.00 0.00 N ATOM 299 CA ASN A 21 -1.487 -1.066 11.775 1.00 0.00 C ATOM 300 C ASN A 21 -1.057 -0.178 12.961 1.00 0.00 C ATOM 301 O ASN A 21 0.123 -0.133 13.335 1.00 0.00 O ATOM 302 CB ASN A 21 -1.117 -2.540 12.034 1.00 0.00 C ATOM 303 CG ASN A 21 -1.901 -3.553 11.200 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.900 -3.251 10.555 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.480 -4.805 11.216 1.00 0.00 N ATOM 0 H ASN A 21 -0.303 -1.299 10.059 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.571 -0.988 11.685 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.053 -2.673 11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.275 -2.760 13.090 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.985 -5.520 10.692 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.650 -5.057 11.752 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 10.911 0.184 -3.138 1.00 0.00 N ATOM 314 CA PHE B 1 9.988 0.847 -4.056 1.00 0.00 C ATOM 315 C PHE B 1 10.307 2.347 -4.242 1.00 0.00 C ATOM 316 O PHE B 1 11.063 2.939 -3.466 1.00 0.00 O ATOM 317 CB PHE B 1 8.537 0.576 -3.627 1.00 0.00 C ATOM 318 CG PHE B 1 8.102 1.287 -2.367 1.00 0.00 C ATOM 319 CD1 PHE B 1 8.478 0.778 -1.113 1.00 0.00 C ATOM 320 CD2 PHE B 1 7.321 2.451 -2.449 1.00 0.00 C ATOM 321 CE1 PHE B 1 8.061 1.428 0.061 1.00 0.00 C ATOM 322 CE2 PHE B 1 6.899 3.098 -1.274 1.00 0.00 C ATOM 323 CZ PHE B 1 7.264 2.580 -0.018 1.00 0.00 C ATOM 0 H1 PHE B 1 11.104 -0.781 -3.476 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.801 0.720 -3.094 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.486 0.140 -2.190 1.00 0.00 H new ATOM 0 HA PHE B 1 10.121 0.417 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.873 0.869 -4.440 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.411 -0.497 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.087 -0.112 -1.051 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.045 2.849 -3.414 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.354 1.040 1.025 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.295 3.991 -1.336 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.931 3.069 0.885 1.00 0.00 H new ATOM 333 N VAL B 2 9.744 2.949 -5.293 1.00 0.00 N ATOM 334 CA VAL B 2 10.003 4.328 -5.763 1.00 0.00 C ATOM 335 C VAL B 2 8.737 5.186 -5.552 1.00 0.00 C ATOM 336 O VAL B 2 7.684 4.660 -5.198 1.00 0.00 O ATOM 337 CB VAL B 2 10.448 4.296 -7.258 1.00 0.00 C ATOM 338 CG1 VAL B 2 10.996 5.642 -7.776 1.00 0.00 C ATOM 339 CG2 VAL B 2 11.555 3.247 -7.503 1.00 0.00 C ATOM 0 H VAL B 2 9.058 2.469 -5.875 1.00 0.00 H new ATOM 0 HA VAL B 2 10.812 4.780 -5.189 1.00 0.00 H new ATOM 0 HB VAL B 2 9.534 4.048 -7.797 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.284 5.539 -8.822 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.225 6.408 -7.685 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.866 5.932 -7.187 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.838 3.255 -8.556 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.425 3.487 -6.892 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.185 2.258 -7.235 1.00 0.00 H new ATOM 349 N ASN B 3 8.796 6.501 -5.794 1.00 0.00 N ATOM 350 CA ASN B 3 7.598 7.323 -6.024 1.00 0.00 C ATOM 351 C ASN B 3 6.870 6.815 -7.291 1.00 0.00 C ATOM 352 O ASN B 3 7.308 7.080 -8.413 1.00 0.00 O ATOM 353 CB ASN B 3 7.990 8.809 -6.159 1.00 0.00 C ATOM 354 CG ASN B 3 8.671 9.375 -4.916 1.00 0.00 C ATOM 355 OD1 ASN B 3 8.028 9.739 -3.938 1.00 0.00 O ATOM 356 ND2 ASN B 3 9.990 9.481 -4.912 1.00 0.00 N ATOM 0 H ASN B 3 9.670 7.025 -5.836 1.00 0.00 H new ATOM 0 HA ASN B 3 6.921 7.237 -5.174 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.657 8.924 -7.013 1.00 0.00 H new ATOM 0 HB3 ASN B 3 7.096 9.394 -6.372 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.468 9.865 -4.097 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.528 9.179 -5.724 1.00 0.00 H new ATOM 363 N GLN B 4 5.794 6.039 -7.122 1.00 0.00 N ATOM 364 CA GLN B 4 5.163 5.263 -8.199 1.00 0.00 C ATOM 365 C GLN B 4 3.701 4.922 -7.875 1.00 0.00 C ATOM 366 O GLN B 4 3.265 5.039 -6.732 1.00 0.00 O ATOM 367 CB GLN B 4 5.983 3.978 -8.461 1.00 0.00 C ATOM 368 CG GLN B 4 5.824 2.907 -7.364 1.00 0.00 C ATOM 369 CD GLN B 4 6.791 1.739 -7.538 1.00 0.00 C ATOM 370 OE1 GLN B 4 7.875 1.702 -6.966 1.00 0.00 O ATOM 371 NE2 GLN B 4 6.443 0.748 -8.332 1.00 0.00 N ATOM 0 H GLN B 4 5.329 5.930 -6.221 1.00 0.00 H new ATOM 0 HA GLN B 4 5.154 5.875 -9.101 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.680 3.553 -9.418 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.037 4.242 -8.549 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.986 3.365 -6.388 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.801 2.531 -7.374 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.543 0.771 -8.812 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.073 -0.042 -8.467 1.00 0.00 H new ATOM 380 N HIS B 5 2.955 4.431 -8.866 1.00 0.00 N ATOM 381 CA HIS B 5 1.667 3.759 -8.649 1.00 0.00 C ATOM 382 C HIS B 5 1.908 2.345 -8.069 1.00 0.00 C ATOM 383 O HIS B 5 2.698 1.577 -8.632 1.00 0.00 O ATOM 384 CB HIS B 5 0.899 3.686 -9.981 1.00 0.00 C ATOM 385 CG HIS B 5 0.787 4.995 -10.721 1.00 0.00 C ATOM 386 ND1 HIS B 5 -0.244 5.927 -10.583 1.00 0.00 N ATOM 387 CD2 HIS B 5 1.663 5.446 -11.668 1.00 0.00 C ATOM 388 CE1 HIS B 5 0.046 6.921 -11.440 1.00 0.00 C ATOM 389 NE2 HIS B 5 1.184 6.660 -12.105 1.00 0.00 N ATOM 0 H HIS B 5 3.226 4.487 -9.848 1.00 0.00 H new ATOM 0 HA HIS B 5 1.069 4.324 -7.934 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.391 2.960 -10.628 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -0.105 3.309 -9.785 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.558 4.946 -12.008 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.554 7.809 -11.576 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.617 7.257 -12.810 1.00 0.00 H new ATOM 397 N LEU B 6 1.257 1.985 -6.955 1.00 0.00 N ATOM 398 CA LEU B 6 1.474 0.707 -6.256 1.00 0.00 C ATOM 399 C LEU B 6 0.213 -0.161 -6.294 1.00 0.00 C ATOM 400 O LEU B 6 -0.856 0.278 -5.880 1.00 0.00 O ATOM 401 CB LEU B 6 1.875 0.991 -4.799 1.00 0.00 C ATOM 402 CG LEU B 6 3.266 1.619 -4.591 1.00 0.00 C ATOM 403 CD1 LEU B 6 3.418 1.938 -3.105 1.00 0.00 C ATOM 404 CD2 LEU B 6 4.398 0.669 -5.005 1.00 0.00 C ATOM 0 H LEU B 6 0.557 2.577 -6.508 1.00 0.00 H new ATOM 0 HA LEU B 6 2.272 0.161 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.130 1.655 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.834 0.054 -4.243 1.00 0.00 H new ATOM 0 HG LEU B 6 3.338 2.512 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.396 2.385 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.639 2.637 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.328 1.020 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.360 1.155 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.345 -0.242 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.294 0.418 -6.061 1.00 0.00 H new ATOM 416 N CYS B 7 0.332 -1.408 -6.765 1.00 0.00 N ATOM 417 CA CYS B 7 -0.822 -2.294 -7.004 1.00 0.00 C ATOM 418 C CYS B 7 -0.419 -3.756 -7.266 1.00 0.00 C ATOM 419 O CYS B 7 0.756 -4.040 -7.512 1.00 0.00 O ATOM 420 CB CYS B 7 -1.664 -1.728 -8.162 1.00 0.00 C ATOM 421 SG CYS B 7 -3.444 -2.011 -7.994 1.00 0.00 S ATOM 0 H CYS B 7 1.230 -1.835 -6.992 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.419 -2.316 -6.092 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.484 -0.656 -8.237 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.323 -2.175 -9.096 1.00 0.00 H new ATOM 426 N GLY B 8 -1.381 -4.687 -7.193 1.00 0.00 N ATOM 427 CA GLY B 8 -1.240 -6.122 -7.520 1.00 0.00 C ATOM 428 C GLY B 8 -0.483 -6.942 -6.470 1.00 0.00 C ATOM 429 O GLY B 8 -0.951 -7.989 -6.028 1.00 0.00 O ATOM 0 H GLY B 8 -2.326 -4.453 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -2.233 -6.551 -7.651 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -0.724 -6.215 -8.476 1.00 0.00 H new ATOM 433 N SER B 9 0.682 -6.450 -6.060 1.00 0.00 N ATOM 434 CA SER B 9 1.563 -7.025 -5.033 1.00 0.00 C ATOM 435 C SER B 9 2.475 -5.939 -4.437 1.00 0.00 C ATOM 436 O SER B 9 2.609 -5.837 -3.216 1.00 0.00 O ATOM 437 CB SER B 9 2.392 -8.163 -5.651 1.00 0.00 C ATOM 438 OG SER B 9 3.167 -8.834 -4.665 1.00 0.00 O ATOM 0 H SER B 9 1.064 -5.590 -6.454 1.00 0.00 H new ATOM 0 HA SER B 9 0.957 -7.431 -4.223 1.00 0.00 H new ATOM 0 HB2 SER B 9 1.728 -8.875 -6.141 1.00 0.00 H new ATOM 0 HB3 SER B 9 3.050 -7.760 -6.421 1.00 0.00 H new ATOM 0 HG SER B 9 3.682 -9.553 -5.087 1.00 0.00 H new ATOM 444 N HIS B 10 3.009 -5.033 -5.272 1.00 0.00 N ATOM 445 CA HIS B 10 3.896 -3.929 -4.871 1.00 0.00 C ATOM 446 C HIS B 10 3.358 -3.100 -3.687 1.00 0.00 C ATOM 447 O HIS B 10 4.122 -2.682 -2.818 1.00 0.00 O ATOM 448 CB HIS B 10 4.135 -3.024 -6.099 1.00 0.00 C ATOM 449 CG HIS B 10 5.577 -2.643 -6.292 1.00 0.00 C ATOM 450 ND1 HIS B 10 6.308 -2.815 -7.469 1.00 0.00 N ATOM 451 CD2 HIS B 10 6.385 -2.091 -5.344 1.00 0.00 C ATOM 452 CE1 HIS B 10 7.544 -2.366 -7.194 1.00 0.00 C ATOM 453 NE2 HIS B 10 7.621 -1.925 -5.926 1.00 0.00 N ATOM 0 H HIS B 10 2.830 -5.049 -6.276 1.00 0.00 H new ATOM 0 HA HIS B 10 4.830 -4.367 -4.519 1.00 0.00 H new ATOM 0 HB2 HIS B 10 3.780 -3.537 -6.993 1.00 0.00 H new ATOM 0 HB3 HIS B 10 3.539 -2.118 -5.994 1.00 0.00 H new ATOM 0 HD2 HIS B 10 6.109 -1.834 -4.332 1.00 0.00 H new ATOM 0 HE1 HIS B 10 8.365 -2.360 -7.896 1.00 0.00 H new ATOM 0 HE2 HIS B 10 8.449 -1.536 -5.475 1.00 0.00 H new ATOM 461 N LEU B 11 2.033 -2.917 -3.624 1.00 0.00 N ATOM 462 CA LEU B 11 1.320 -2.235 -2.539 1.00 0.00 C ATOM 463 C LEU B 11 1.497 -2.957 -1.187 1.00 0.00 C ATOM 464 O LEU B 11 1.753 -2.304 -0.182 1.00 0.00 O ATOM 465 CB LEU B 11 -0.165 -2.105 -2.960 1.00 0.00 C ATOM 466 CG LEU B 11 -0.858 -0.781 -2.582 1.00 0.00 C ATOM 467 CD1 LEU B 11 -2.332 -0.817 -3.017 1.00 0.00 C ATOM 468 CD2 LEU B 11 -0.785 -0.467 -1.087 1.00 0.00 C ATOM 0 H LEU B 11 1.406 -3.253 -4.355 1.00 0.00 H new ATOM 0 HA LEU B 11 1.739 -1.241 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.228 -2.230 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.723 -2.926 -2.511 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.320 0.009 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.814 0.122 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.389 -0.956 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.839 -1.642 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.291 0.478 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.270 -1.264 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.259 -0.390 -0.782 1.00 0.00 H new ATOM 480 N VAL B 12 1.445 -4.293 -1.165 1.00 0.00 N ATOM 481 CA VAL B 12 1.631 -5.113 0.051 1.00 0.00 C ATOM 482 C VAL B 12 3.084 -5.050 0.524 1.00 0.00 C ATOM 483 O VAL B 12 3.332 -4.889 1.717 1.00 0.00 O ATOM 484 CB VAL B 12 1.239 -6.596 -0.198 1.00 0.00 C ATOM 485 CG1 VAL B 12 1.532 -7.538 0.986 1.00 0.00 C ATOM 486 CG2 VAL B 12 -0.245 -6.722 -0.572 1.00 0.00 C ATOM 0 H VAL B 12 1.270 -4.850 -2.001 1.00 0.00 H new ATOM 0 HA VAL B 12 0.977 -4.703 0.821 1.00 0.00 H new ATOM 0 HB VAL B 12 1.873 -6.912 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.228 -8.552 0.728 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.599 -7.524 1.207 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.976 -7.205 1.862 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.490 -7.771 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.859 -6.332 0.239 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.441 -6.153 -1.481 1.00 0.00 H new ATOM 496 N GLU B 13 4.030 -5.147 -0.415 1.00 0.00 N ATOM 497 CA GLU B 13 5.467 -5.058 -0.135 1.00 0.00 C ATOM 498 C GLU B 13 5.836 -3.676 0.423 1.00 0.00 C ATOM 499 O GLU B 13 6.547 -3.579 1.421 1.00 0.00 O ATOM 500 CB GLU B 13 6.284 -5.319 -1.411 1.00 0.00 C ATOM 501 CG GLU B 13 6.028 -6.676 -2.081 1.00 0.00 C ATOM 502 CD GLU B 13 6.550 -7.847 -1.235 1.00 0.00 C ATOM 503 OE1 GLU B 13 7.765 -8.151 -1.304 1.00 0.00 O1- ATOM 504 OE2 GLU B 13 5.752 -8.479 -0.503 1.00 0.00 O ATOM 0 H GLU B 13 3.818 -5.291 -1.402 1.00 0.00 H new ATOM 0 HA GLU B 13 5.703 -5.817 0.611 1.00 0.00 H new ATOM 0 HB2 GLU B 13 6.067 -4.529 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU B 13 7.344 -5.246 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.958 -6.800 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.509 -6.693 -3.059 1.00 0.00 H new ATOM 511 N ALA B 14 5.318 -2.605 -0.189 1.00 0.00 N ATOM 512 CA ALA B 14 5.528 -1.225 0.238 1.00 0.00 C ATOM 513 C ALA B 14 4.922 -0.950 1.621 1.00 0.00 C ATOM 514 O ALA B 14 5.617 -0.439 2.505 1.00 0.00 O ATOM 515 CB ALA B 14 4.918 -0.308 -0.823 1.00 0.00 C ATOM 0 H ALA B 14 4.726 -2.681 -1.016 1.00 0.00 H new ATOM 0 HA ALA B 14 6.597 -1.035 0.335 1.00 0.00 H new ATOM 0 HB1 ALA B 14 5.060 0.732 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.406 -0.485 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.852 -0.517 -0.915 1.00 0.00 H new ATOM 521 N LEU B 15 3.655 -1.331 1.839 1.00 0.00 N ATOM 522 CA LEU B 15 3.006 -1.207 3.146 1.00 0.00 C ATOM 523 C LEU B 15 3.788 -1.952 4.228 1.00 0.00 C ATOM 524 O LEU B 15 3.996 -1.404 5.307 1.00 0.00 O ATOM 525 CB LEU B 15 1.558 -1.721 3.093 1.00 0.00 C ATOM 526 CG LEU B 15 0.512 -0.787 2.473 1.00 0.00 C ATOM 527 CD1 LEU B 15 -0.820 -1.536 2.375 1.00 0.00 C ATOM 528 CD2 LEU B 15 0.303 0.479 3.311 1.00 0.00 C ATOM 0 H LEU B 15 3.057 -1.731 1.116 1.00 0.00 H new ATOM 0 HA LEU B 15 2.991 -0.148 3.402 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.551 -2.657 2.534 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.244 -1.955 4.110 1.00 0.00 H new ATOM 0 HG LEU B 15 0.871 -0.485 1.489 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.573 -0.882 1.935 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.696 -2.419 1.749 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.141 -1.840 3.371 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.446 1.111 2.834 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.037 0.203 4.309 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.244 1.025 3.387 1.00 0.00 H new ATOM 540 N TYR B 16 4.289 -3.156 3.939 1.00 0.00 N ATOM 541 CA TYR B 16 5.163 -3.886 4.855 1.00 0.00 C ATOM 542 C TYR B 16 6.508 -3.171 5.094 1.00 0.00 C ATOM 543 O TYR B 16 6.969 -3.125 6.232 1.00 0.00 O ATOM 544 CB TYR B 16 5.373 -5.320 4.349 1.00 0.00 C ATOM 545 CG TYR B 16 6.427 -6.049 5.155 1.00 0.00 C ATOM 546 CD1 TYR B 16 6.164 -6.401 6.492 1.00 0.00 C ATOM 547 CD2 TYR B 16 7.715 -6.236 4.616 1.00 0.00 C ATOM 548 CE1 TYR B 16 7.189 -6.926 7.301 1.00 0.00 C ATOM 549 CE2 TYR B 16 8.745 -6.764 5.417 1.00 0.00 C ATOM 550 CZ TYR B 16 8.485 -7.109 6.765 1.00 0.00 C ATOM 551 OH TYR B 16 9.480 -7.603 7.556 1.00 0.00 O ATOM 0 H TYR B 16 4.100 -3.649 3.066 1.00 0.00 H new ATOM 0 HA TYR B 16 4.666 -3.921 5.824 1.00 0.00 H new ATOM 0 HB2 TYR B 16 4.431 -5.866 4.402 1.00 0.00 H new ATOM 0 HB3 TYR B 16 5.669 -5.296 3.300 1.00 0.00 H new ATOM 0 HD1 TYR B 16 5.172 -6.268 6.899 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.912 -5.974 3.587 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.986 -7.189 8.329 1.00 0.00 H new ATOM 0 HE2 TYR B 16 9.733 -6.906 5.004 1.00 0.00 H new ATOM 0 HH TYR B 16 10.308 -7.669 7.037 1.00 0.00 H new ATOM 561 N LEU B 17 7.129 -2.568 4.073 1.00 0.00 N ATOM 562 CA LEU B 17 8.383 -1.824 4.231 1.00 0.00 C ATOM 563 C LEU B 17 8.206 -0.573 5.110 1.00 0.00 C ATOM 564 O LEU B 17 9.057 -0.284 5.949 1.00 0.00 O ATOM 565 CB LEU B 17 8.933 -1.450 2.839 1.00 0.00 C ATOM 566 CG LEU B 17 10.471 -1.445 2.792 1.00 0.00 C ATOM 567 CD1 LEU B 17 11.051 -2.871 2.815 1.00 0.00 C ATOM 568 CD2 LEU B 17 10.957 -0.727 1.526 1.00 0.00 C ATOM 0 H LEU B 17 6.777 -2.582 3.116 1.00 0.00 H new ATOM 0 HA LEU B 17 9.100 -2.465 4.744 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.553 -2.156 2.101 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.561 -0.464 2.558 1.00 0.00 H new ATOM 0 HG LEU B 17 10.820 -0.919 3.681 1.00 0.00 H new ATOM 0 HD11 LEU B 17 12.139 -2.822 2.780 1.00 0.00 H new ATOM 0 HD12 LEU B 17 10.739 -3.376 3.729 1.00 0.00 H new ATOM 0 HD13 LEU B 17 10.685 -3.426 1.951 1.00 0.00 H new ATOM 0 HD21 LEU B 17 12.047 -0.729 1.502 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.574 -1.243 0.645 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.596 0.301 1.530 1.00 0.00 H new ATOM 580 N VAL B 18 7.090 0.140 4.938 1.00 0.00 N ATOM 581 CA VAL B 18 6.733 1.349 5.711 1.00 0.00 C ATOM 582 C VAL B 18 6.344 0.995 7.153 1.00 0.00 C ATOM 583 O VAL B 18 6.858 1.584 8.103 1.00 0.00 O ATOM 584 CB VAL B 18 5.575 2.108 5.018 1.00 0.00 C ATOM 585 CG1 VAL B 18 5.021 3.299 5.820 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.054 2.637 3.663 1.00 0.00 C ATOM 0 H VAL B 18 6.387 -0.108 4.242 1.00 0.00 H new ATOM 0 HA VAL B 18 7.611 1.994 5.747 1.00 0.00 H new ATOM 0 HB VAL B 18 4.767 1.383 4.921 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.214 3.771 5.260 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.639 2.946 6.778 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.817 4.024 5.991 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.240 3.172 3.173 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.895 3.314 3.813 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.368 1.802 3.037 1.00 0.00 H new ATOM 596 N CYS B 19 5.433 0.032 7.312 1.00 0.00 N ATOM 597 CA CYS B 19 4.823 -0.333 8.603 1.00 0.00 C ATOM 598 C CYS B 19 5.587 -1.390 9.424 1.00 0.00 C ATOM 599 O CYS B 19 5.254 -1.644 10.583 1.00 0.00 O ATOM 600 CB CYS B 19 3.405 -0.842 8.326 1.00 0.00 C ATOM 601 SG CYS B 19 2.300 -0.757 9.756 1.00 0.00 S ATOM 0 H CYS B 19 5.088 -0.530 6.534 1.00 0.00 H new ATOM 0 HA CYS B 19 4.842 0.568 9.216 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.974 -0.260 7.512 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.461 -1.876 7.984 1.00 0.00 H new ATOM 606 N GLY B 20 6.576 -2.056 8.827 1.00 0.00 N ATOM 607 CA GLY B 20 7.205 -3.272 9.364 1.00 0.00 C ATOM 608 C GLY B 20 7.801 -3.103 10.769 1.00 0.00 C ATOM 609 O GLY B 20 8.320 -2.042 11.108 1.00 0.00 O ATOM 0 H GLY B 20 6.974 -1.761 7.935 1.00 0.00 H new ATOM 0 HA2 GLY B 20 6.463 -4.070 9.389 1.00 0.00 H new ATOM 0 HA3 GLY B 20 7.994 -3.591 8.683 1.00 0.00 H new ATOM 613 N GLU B 21 7.744 -4.112 11.642 1.00 0.00 N ATOM 614 CA GLU B 21 7.177 -5.460 11.451 1.00 0.00 C ATOM 615 C GLU B 21 5.655 -5.565 11.738 1.00 0.00 C ATOM 616 O GLU B 21 5.120 -6.672 11.829 1.00 0.00 O ATOM 617 CB GLU B 21 7.987 -6.460 12.302 1.00 0.00 C ATOM 618 CG GLU B 21 7.864 -6.243 13.819 1.00 0.00 C ATOM 619 CD GLU B 21 8.716 -7.262 14.590 1.00 0.00 C ATOM 620 OE1 GLU B 21 9.911 -6.983 14.850 1.00 0.00 O ATOM 621 OE2 GLU B 21 8.197 -8.347 14.948 1.00 0.00 O1- ATOM 0 H GLU B 21 8.124 -4.003 12.582 1.00 0.00 H new ATOM 0 HA GLU B 21 7.264 -5.702 10.392 1.00 0.00 H new ATOM 0 HB2 GLU B 21 7.659 -7.472 12.063 1.00 0.00 H new ATOM 0 HB3 GLU B 21 9.038 -6.391 12.021 1.00 0.00 H new ATOM 0 HG2 GLU B 21 8.182 -5.232 14.073 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.820 -6.334 14.120 1.00 0.00 H new ATOM 628 N ARG B 22 4.947 -4.436 11.910 1.00 0.00 N ATOM 629 CA ARG B 22 3.581 -4.397 12.468 1.00 0.00 C ATOM 630 C ARG B 22 2.484 -4.900 11.505 1.00 0.00 C ATOM 631 O ARG B 22 1.379 -5.224 11.957 1.00 0.00 O ATOM 632 CB ARG B 22 3.224 -2.980 12.969 1.00 0.00 C ATOM 633 CG ARG B 22 4.086 -2.454 14.133 1.00 0.00 C ATOM 634 CD ARG B 22 5.379 -1.750 13.694 1.00 0.00 C ATOM 635 NE ARG B 22 6.126 -1.226 14.849 1.00 0.00 N ATOM 636 CZ ARG B 22 7.327 -0.658 14.817 1.00 0.00 C ATOM 637 NH1 ARG B 22 8.021 -0.533 13.704 1.00 0.00 N1+ ATOM 638 NH2 ARG B 22 7.857 -0.200 15.930 1.00 0.00 N ATOM 0 H ARG B 22 5.309 -3.515 11.664 1.00 0.00 H new ATOM 0 HA ARG B 22 3.601 -5.095 13.305 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.309 -2.285 12.133 1.00 0.00 H new ATOM 0 HB3 ARG B 22 2.180 -2.976 13.282 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.491 -1.759 14.725 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.344 -3.289 14.785 1.00 0.00 H new ATOM 0 HD2 ARG B 22 6.006 -2.450 13.141 1.00 0.00 H new ATOM 0 HD3 ARG B 22 5.137 -0.933 13.015 1.00 0.00 H new ATOM 0 HE ARG B 22 5.679 -1.307 15.762 1.00 0.00 H new ATOM 0 HH11 ARG B 22 7.639 -0.879 12.824 1.00 0.00 H new ATOM 0 HH12 ARG B 22 8.940 -0.090 13.723 1.00 0.00 H new ATOM 0 HH21 ARG B 22 7.347 -0.282 16.809 1.00 0.00 H new ATOM 0 HH22 ARG B 22 8.778 0.237 15.914 1.00 0.00 H new ATOM 652 N GLY B 23 2.763 -4.971 10.197 1.00 0.00 N ATOM 653 CA GLY B 23 1.821 -5.432 9.163 1.00 0.00 C ATOM 654 C GLY B 23 0.718 -4.417 8.850 1.00 0.00 C ATOM 655 O GLY B 23 0.740 -3.283 9.321 1.00 0.00 O ATOM 0 H GLY B 23 3.671 -4.704 9.817 1.00 0.00 H new ATOM 0 HA2 GLY B 23 2.374 -5.650 8.249 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.363 -6.366 9.489 1.00 0.00 H new ATOM 659 N HIS B 24 -0.264 -4.821 8.050 1.00 0.00 N ATOM 660 CA HIS B 24 -1.342 -3.945 7.567 1.00 0.00 C ATOM 661 C HIS B 24 -2.644 -4.706 7.250 1.00 0.00 C ATOM 662 O HIS B 24 -2.634 -5.910 6.976 1.00 0.00 O ATOM 663 CB HIS B 24 -0.835 -3.141 6.360 1.00 0.00 C ATOM 664 CG HIS B 24 -0.256 -3.994 5.266 1.00 0.00 C ATOM 665 ND1 HIS B 24 -0.979 -4.567 4.219 1.00 0.00 N ATOM 666 CD2 HIS B 24 1.072 -4.257 5.099 1.00 0.00 C ATOM 667 CE1 HIS B 24 -0.058 -5.147 3.432 1.00 0.00 C ATOM 668 NE2 HIS B 24 1.179 -4.992 3.940 1.00 0.00 N ATOM 0 H HIS B 24 -0.340 -5.780 7.710 1.00 0.00 H new ATOM 0 HA HIS B 24 -1.607 -3.258 8.371 1.00 0.00 H new ATOM 0 HB2 HIS B 24 -1.659 -2.554 5.954 1.00 0.00 H new ATOM 0 HB3 HIS B 24 -0.077 -2.435 6.698 1.00 0.00 H new ATOM 0 HD2 HIS B 24 1.879 -3.950 5.747 1.00 0.00 H new ATOM 0 HE1 HIS B 24 -0.280 -5.669 2.513 1.00 0.00 H new ATOM 0 HE2 HIS B 24 2.043 -5.355 3.537 1.00 0.00 H new ATOM 676 N PHE B 25 -3.770 -3.988 7.295 1.00 0.00 N ATOM 677 CA PHE B 25 -5.120 -4.537 7.115 1.00 0.00 C ATOM 678 C PHE B 25 -5.541 -4.698 5.640 1.00 0.00 C ATOM 679 O PHE B 25 -6.560 -5.334 5.364 1.00 0.00 O ATOM 680 CB PHE B 25 -6.106 -3.650 7.894 1.00 0.00 C ATOM 681 CG PHE B 25 -6.123 -2.183 7.497 1.00 0.00 C ATOM 682 CD1 PHE B 25 -6.818 -1.766 6.346 1.00 0.00 C ATOM 683 CD2 PHE B 25 -5.450 -1.228 8.288 1.00 0.00 C ATOM 684 CE1 PHE B 25 -6.840 -0.408 5.984 1.00 0.00 C ATOM 685 CE2 PHE B 25 -5.486 0.133 7.933 1.00 0.00 C ATOM 686 CZ PHE B 25 -6.183 0.543 6.783 1.00 0.00 C ATOM 0 H PHE B 25 -3.769 -2.982 7.462 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.126 -5.554 7.508 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.110 -4.054 7.766 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.868 -3.718 8.955 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.337 -2.493 5.738 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -4.907 -1.542 9.167 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.362 -0.095 5.092 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -4.978 0.864 8.545 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.213 1.588 6.514 1.00 0.00 H new ATOM 696 N TYR B 26 -4.786 -4.137 4.687 1.00 0.00 N ATOM 697 CA TYR B 26 -5.128 -4.153 3.257 1.00 0.00 C ATOM 698 C TYR B 26 -5.129 -5.562 2.629 1.00 0.00 C ATOM 699 O TYR B 26 -5.998 -5.830 1.794 1.00 0.00 O ATOM 700 CB TYR B 26 -4.159 -3.224 2.503 1.00 0.00 C ATOM 701 CG TYR B 26 -4.104 -3.444 0.998 1.00 0.00 C ATOM 702 CD1 TYR B 26 -5.268 -3.323 0.213 1.00 0.00 C ATOM 703 CD2 TYR B 26 -2.902 -3.860 0.395 1.00 0.00 C ATOM 704 CE1 TYR B 26 -5.234 -3.609 -1.165 1.00 0.00 C ATOM 705 CE2 TYR B 26 -2.853 -4.118 -0.986 1.00 0.00 C ATOM 706 CZ TYR B 26 -4.018 -3.992 -1.775 1.00 0.00 C ATOM 707 OH TYR B 26 -3.964 -4.252 -3.111 1.00 0.00 O ATOM 0 H TYR B 26 -3.911 -3.654 4.888 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.154 -3.797 3.167 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.446 -2.190 2.694 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.158 -3.358 2.912 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.194 -3.008 0.672 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -2.013 -3.982 0.996 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.136 -3.536 -1.755 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.921 -4.414 -1.445 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.049 -4.500 -3.359 1.00 0.00 H new ATOM 717 N THR B 27 -4.165 -6.419 3.017 1.00 0.00 N ATOM 718 CA THR B 27 -3.793 -7.728 2.417 1.00 0.00 C ATOM 719 C THR B 27 -4.884 -8.330 1.501 1.00 0.00 C ATOM 720 O THR B 27 -5.851 -8.899 2.019 1.00 0.00 O ATOM 721 CB THR B 27 -3.359 -8.725 3.505 1.00 0.00 C ATOM 722 OG1 THR B 27 -4.317 -8.779 4.540 1.00 0.00 O ATOM 723 CG2 THR B 27 -2.014 -8.330 4.123 1.00 0.00 C ATOM 0 H THR B 27 -3.576 -6.203 3.821 1.00 0.00 H new ATOM 0 HA THR B 27 -2.944 -7.530 1.763 1.00 0.00 H new ATOM 0 HB THR B 27 -3.266 -9.698 3.023 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.215 -8.839 4.152 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.738 -9.056 4.888 1.00 0.00 H new ATOM 0 HG22 THR B 27 -1.249 -8.311 3.347 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.097 -7.341 4.574 1.00 0.00 H new ATOM 731 N PRO B 28 -4.777 -8.163 0.164 1.00 0.00 N ATOM 732 CA PRO B 28 -5.888 -8.337 -0.768 1.00 0.00 C ATOM 733 C PRO B 28 -6.166 -9.817 -1.064 1.00 0.00 C ATOM 734 O PRO B 28 -5.308 -10.680 -0.878 1.00 0.00 O ATOM 735 CB PRO B 28 -5.479 -7.572 -2.033 1.00 0.00 C ATOM 736 CG PRO B 28 -3.960 -7.726 -2.040 1.00 0.00 C ATOM 737 CD PRO B 28 -3.621 -7.643 -0.553 1.00 0.00 C ATOM 0 HA PRO B 28 -6.820 -7.956 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.933 -7.997 -2.928 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.780 -6.525 -1.989 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.649 -8.675 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -3.473 -6.937 -2.613 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.729 -8.226 -0.325 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.413 -6.614 -0.259 1.00 0.00 H new ATOM 745 N LYS B 29 -7.367 -10.108 -1.580 1.00 0.00 N ATOM 746 CA LYS B 29 -7.826 -11.464 -1.937 1.00 0.00 C ATOM 747 C LYS B 29 -7.347 -11.929 -3.339 1.00 0.00 C ATOM 748 O LYS B 29 -8.000 -12.727 -4.017 1.00 0.00 O ATOM 749 CB LYS B 29 -9.361 -11.504 -1.736 1.00 0.00 C ATOM 750 CG LYS B 29 -9.987 -12.898 -1.538 1.00 0.00 C ATOM 751 CD LYS B 29 -9.534 -13.595 -0.245 1.00 0.00 C ATOM 752 CE LYS B 29 -10.307 -14.908 -0.062 1.00 0.00 C ATOM 753 NZ LYS B 29 -9.908 -15.617 1.181 1.00 0.00 N1+ ATOM 0 H LYS B 29 -8.068 -9.391 -1.767 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.365 -12.200 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -9.609 -10.891 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -9.832 -11.037 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.073 -12.802 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -9.730 -13.527 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.463 -13.796 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.704 -12.941 0.610 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.376 -14.699 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.132 -15.555 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.453 -16.499 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -8.893 -15.840 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.099 -15.010 2.003 1.00 0.00 H new ATOM 767 N THR B 30 -6.206 -11.394 -3.785 1.00 0.00 N ATOM 768 CA THR B 30 -5.542 -11.659 -5.080 1.00 0.00 C ATOM 769 C THR B 30 -5.041 -13.105 -5.188 1.00 0.00 C ATOM 770 O THR B 30 -4.340 -13.576 -4.264 1.00 0.00 O ATOM 771 CB THR B 30 -4.378 -10.683 -5.291 1.00 0.00 C ATOM 772 OG1 THR B 30 -4.845 -9.360 -5.118 1.00 0.00 O ATOM 773 CG2 THR B 30 -3.757 -10.774 -6.686 1.00 0.00 C ATOM 774 OXT THR B 30 -5.360 -13.772 -6.200 1.00 0.00 O1- ATOM 0 H THR B 30 -5.684 -10.722 -3.222 1.00 0.00 H new ATOM 0 HA THR B 30 -6.287 -11.510 -5.861 1.00 0.00 H new ATOM 0 HB THR B 30 -3.614 -10.951 -4.562 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.105 -8.732 -5.250 1.00 0.00 H new ATOM 0 HG21 THR B 30 -2.940 -10.057 -6.768 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.374 -11.781 -6.849 1.00 0.00 H new ATOM 0 HG23 THR B 30 -4.514 -10.548 -7.437 1.00 0.00 H new TER 782 THR B 30