USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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= 0.632 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.435 X(o=1.1,f=1.1) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0.973 (180deg=0.923) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -124:sc= 0.228 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.7 K(o=0.7,f=-0.0048) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.181 (180deg=0.015) USER MOD Single : B 3 ASN : amide:sc= -0.0799 X(o=-0.08,f=-0.24) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.784 K(o=0.78,f=-2.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.00143 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -170:sc= 0.459 USER MOD Single : B 29 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.06) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.00146 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.656 11.131 -2.981 1.00 0.00 N ATOM 2 CA GLY A 1 -4.773 9.692 -3.307 1.00 0.00 C ATOM 3 C GLY A 1 -3.434 9.080 -3.685 1.00 0.00 C ATOM 4 O GLY A 1 -2.503 9.801 -4.053 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.555 11.471 -2.584 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.896 11.268 -2.284 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.435 11.666 -3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.186 9.159 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.475 9.563 -4.131 1.00 0.00 H new ATOM 10 N ILE A 2 -3.309 7.748 -3.626 1.00 0.00 N ATOM 11 CA ILE A 2 -2.032 7.022 -3.827 1.00 0.00 C ATOM 12 C ILE A 2 -1.406 7.266 -5.205 1.00 0.00 C ATOM 13 O ILE A 2 -0.179 7.319 -5.307 1.00 0.00 O ATOM 14 CB ILE A 2 -2.162 5.504 -3.532 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.149 4.780 -4.479 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.528 5.289 -2.050 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.139 3.252 -4.335 1.00 0.00 C ATOM 0 H ILE A 2 -4.097 7.129 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.345 7.444 -3.093 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.191 5.049 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.157 5.147 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.906 5.040 -5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.618 4.222 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.748 5.713 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.477 5.780 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.856 2.816 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.142 2.872 -4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.412 2.981 -3.315 1.00 0.00 H new ATOM 29 N VAL A 3 -2.230 7.496 -6.234 1.00 0.00 N ATOM 30 CA VAL A 3 -1.753 7.798 -7.599 1.00 0.00 C ATOM 31 C VAL A 3 -0.892 9.063 -7.624 1.00 0.00 C ATOM 32 O VAL A 3 0.110 9.097 -8.333 1.00 0.00 O ATOM 33 CB VAL A 3 -2.922 7.943 -8.597 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.468 8.394 -9.999 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.659 6.605 -8.751 1.00 0.00 C ATOM 0 H VAL A 3 -3.246 7.479 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.141 6.951 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.575 8.711 -8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.336 8.477 -10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.974 9.363 -9.927 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.773 7.662 -10.410 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.481 6.722 -9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.967 5.849 -9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.053 6.293 -7.784 1.00 0.00 H new ATOM 45 N GLU A 4 -1.246 10.088 -6.840 1.00 0.00 N ATOM 46 CA GLU A 4 -0.504 11.352 -6.807 1.00 0.00 C ATOM 47 C GLU A 4 0.889 11.134 -6.199 1.00 0.00 C ATOM 48 O GLU A 4 1.887 11.535 -6.796 1.00 0.00 O ATOM 49 CB GLU A 4 -1.280 12.407 -6.000 1.00 0.00 C ATOM 50 CG GLU A 4 -2.654 12.730 -6.598 1.00 0.00 C ATOM 51 CD GLU A 4 -3.412 13.711 -5.703 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.058 13.247 -4.735 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.366 14.933 -5.974 1.00 0.00 O ATOM 0 H GLU A 4 -2.051 10.064 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.386 11.714 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.410 12.051 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.689 13.322 -5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.532 13.157 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.232 11.813 -6.713 1.00 0.00 H new ATOM 60 N GLN A 5 0.952 10.454 -5.050 1.00 0.00 N ATOM 61 CA GLN A 5 2.189 10.155 -4.322 1.00 0.00 C ATOM 62 C GLN A 5 3.141 9.301 -5.169 1.00 0.00 C ATOM 63 O GLN A 5 4.284 9.694 -5.398 1.00 0.00 O ATOM 64 CB GLN A 5 1.826 9.443 -3.008 1.00 0.00 C ATOM 65 CG GLN A 5 3.052 9.140 -2.126 1.00 0.00 C ATOM 66 CD GLN A 5 2.673 8.289 -0.913 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.446 8.784 0.187 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.564 6.985 -1.066 1.00 0.00 N ATOM 0 H GLN A 5 0.121 10.086 -4.588 1.00 0.00 H new ATOM 0 HA GLN A 5 2.712 11.085 -4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.127 10.063 -2.447 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.311 8.510 -3.237 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.806 8.619 -2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.500 10.075 -1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.750 6.561 -1.975 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.294 6.400 -0.276 1.00 0.00 H new ATOM 77 N CYS A 6 2.676 8.145 -5.647 1.00 0.00 N ATOM 78 CA CYS A 6 3.502 7.184 -6.381 1.00 0.00 C ATOM 79 C CYS A 6 3.947 7.665 -7.768 1.00 0.00 C ATOM 80 O CYS A 6 4.915 7.137 -8.317 1.00 0.00 O ATOM 81 CB CYS A 6 2.710 5.886 -6.500 1.00 0.00 C ATOM 82 SG CYS A 6 2.330 5.046 -4.935 1.00 0.00 S ATOM 0 H CYS A 6 1.707 7.847 -5.535 1.00 0.00 H new ATOM 0 HA CYS A 6 4.427 7.046 -5.820 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.772 6.100 -7.013 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.270 5.198 -7.134 1.00 0.00 H new ATOM 87 N CYS A 7 3.259 8.657 -8.336 1.00 0.00 N ATOM 88 CA CYS A 7 3.598 9.268 -9.624 1.00 0.00 C ATOM 89 C CYS A 7 4.548 10.475 -9.484 1.00 0.00 C ATOM 90 O CYS A 7 5.482 10.595 -10.284 1.00 0.00 O ATOM 91 CB CYS A 7 2.294 9.647 -10.336 1.00 0.00 C ATOM 92 SG CYS A 7 2.452 10.100 -12.081 1.00 0.00 S ATOM 0 H CYS A 7 2.431 9.068 -7.904 1.00 0.00 H new ATOM 0 HA CYS A 7 4.149 8.543 -10.222 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.603 8.807 -10.259 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.841 10.483 -9.803 1.00 0.00 H new ATOM 97 N THR A 8 4.342 11.349 -8.480 1.00 0.00 N ATOM 98 CA THR A 8 5.196 12.531 -8.235 1.00 0.00 C ATOM 99 C THR A 8 6.492 12.173 -7.509 1.00 0.00 C ATOM 100 O THR A 8 7.558 12.697 -7.835 1.00 0.00 O ATOM 101 CB THR A 8 4.397 13.635 -7.525 1.00 0.00 C ATOM 102 OG1 THR A 8 5.002 14.870 -7.835 1.00 0.00 O ATOM 103 CG2 THR A 8 4.322 13.523 -5.995 1.00 0.00 C ATOM 0 H THR A 8 3.576 11.256 -7.813 1.00 0.00 H new ATOM 0 HA THR A 8 5.508 12.926 -9.202 1.00 0.00 H new ATOM 0 HB THR A 8 3.372 13.539 -7.883 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.510 15.595 -7.395 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.736 14.352 -5.598 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.849 12.580 -5.722 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.328 13.558 -5.578 1.00 0.00 H new ATOM 111 N SER A 9 6.420 11.235 -6.569 1.00 0.00 N ATOM 112 CA SER A 9 7.560 10.584 -5.914 1.00 0.00 C ATOM 113 C SER A 9 7.688 9.131 -6.419 1.00 0.00 C ATOM 114 O SER A 9 7.340 8.839 -7.567 1.00 0.00 O ATOM 115 CB SER A 9 7.380 10.692 -4.387 1.00 0.00 C ATOM 116 OG SER A 9 8.563 10.335 -3.689 1.00 0.00 O ATOM 0 H SER A 9 5.525 10.889 -6.224 1.00 0.00 H new ATOM 0 HA SER A 9 8.498 11.079 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.098 11.712 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.562 10.044 -4.071 1.00 0.00 H new ATOM 0 HG SER A 9 8.364 9.616 -3.053 1.00 0.00 H new ATOM 122 N ILE A 10 8.196 8.215 -5.593 1.00 0.00 N ATOM 123 CA ILE A 10 8.333 6.783 -5.885 1.00 0.00 C ATOM 124 C ILE A 10 7.608 5.924 -4.839 1.00 0.00 C ATOM 125 O ILE A 10 7.525 6.286 -3.665 1.00 0.00 O ATOM 126 CB ILE A 10 9.825 6.378 -6.002 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.651 6.733 -4.741 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.418 6.986 -7.282 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.128 6.329 -4.808 1.00 0.00 C ATOM 0 H ILE A 10 8.538 8.458 -4.663 1.00 0.00 H new ATOM 0 HA ILE A 10 7.858 6.598 -6.848 1.00 0.00 H new ATOM 0 HB ILE A 10 9.878 5.291 -6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.590 7.808 -4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.195 6.250 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.467 6.703 -7.367 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.871 6.615 -8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.338 8.072 -7.240 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.626 6.617 -3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.204 5.250 -4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.605 6.833 -5.649 1.00 0.00 H new ATOM 141 N CYS A 11 7.116 4.762 -5.270 1.00 0.00 N ATOM 142 CA CYS A 11 6.530 3.721 -4.421 1.00 0.00 C ATOM 143 C CYS A 11 7.174 2.360 -4.698 1.00 0.00 C ATOM 144 O CYS A 11 7.814 2.154 -5.729 1.00 0.00 O ATOM 145 CB CYS A 11 5.020 3.670 -4.670 1.00 0.00 C ATOM 146 SG CYS A 11 4.098 5.043 -3.930 1.00 0.00 S ATOM 0 H CYS A 11 7.114 4.509 -6.258 1.00 0.00 H new ATOM 0 HA CYS A 11 6.718 3.961 -3.375 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.840 3.664 -5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.630 2.731 -4.277 1.00 0.00 H new ATOM 151 N SER A 12 6.999 1.417 -3.781 1.00 0.00 N ATOM 152 CA SER A 12 7.565 0.065 -3.853 1.00 0.00 C ATOM 153 C SER A 12 6.492 -1.018 -3.989 1.00 0.00 C ATOM 154 O SER A 12 5.315 -0.790 -3.696 1.00 0.00 O ATOM 155 CB SER A 12 8.417 -0.216 -2.608 1.00 0.00 C ATOM 156 OG SER A 12 7.630 -0.222 -1.423 1.00 0.00 O ATOM 0 H SER A 12 6.444 1.571 -2.939 1.00 0.00 H new ATOM 0 HA SER A 12 8.183 0.029 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.916 -1.179 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.198 0.540 -2.523 1.00 0.00 H new ATOM 0 HG SER A 12 8.204 -0.405 -0.650 1.00 0.00 H new ATOM 162 N LEU A 13 6.904 -2.231 -4.362 1.00 0.00 N ATOM 163 CA LEU A 13 6.021 -3.404 -4.403 1.00 0.00 C ATOM 164 C LEU A 13 5.466 -3.747 -3.014 1.00 0.00 C ATOM 165 O LEU A 13 4.314 -4.150 -2.888 1.00 0.00 O ATOM 166 CB LEU A 13 6.804 -4.589 -4.994 1.00 0.00 C ATOM 167 CG LEU A 13 7.390 -4.376 -6.408 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.026 -5.687 -6.894 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.348 -3.904 -7.437 1.00 0.00 C ATOM 0 H LEU A 13 7.863 -2.431 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 13 5.161 -3.180 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.622 -4.832 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.145 -5.457 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 13 8.134 -3.583 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.441 -5.542 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.821 -5.981 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.268 -6.469 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.828 -3.775 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.556 -4.648 -7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.921 -2.955 -7.114 1.00 0.00 H new ATOM 181 N TYR A 14 6.250 -3.513 -1.959 1.00 0.00 N ATOM 182 CA TYR A 14 5.800 -3.647 -0.567 1.00 0.00 C ATOM 183 C TYR A 14 4.744 -2.597 -0.172 1.00 0.00 C ATOM 184 O TYR A 14 3.815 -2.908 0.571 1.00 0.00 O ATOM 185 CB TYR A 14 7.024 -3.587 0.353 1.00 0.00 C ATOM 186 CG TYR A 14 6.702 -3.759 1.823 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.437 -5.045 2.336 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.657 -2.641 2.679 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.129 -5.214 3.699 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.349 -2.804 4.044 1.00 0.00 C ATOM 191 CZ TYR A 14 6.084 -4.094 4.560 1.00 0.00 C ATOM 192 OH TYR A 14 5.794 -4.265 5.880 1.00 0.00 O ATOM 0 H TYR A 14 7.224 -3.223 -2.045 1.00 0.00 H new ATOM 0 HA TYR A 14 5.302 -4.611 -0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.729 -4.363 0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.525 -2.629 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.470 -5.903 1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.859 -1.655 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.927 -6.201 4.088 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.315 -1.944 4.696 1.00 0.00 H new ATOM 0 HH TYR A 14 5.804 -3.396 6.332 1.00 0.00 H new ATOM 202 N GLN A 15 4.841 -1.377 -0.711 1.00 0.00 N ATOM 203 CA GLN A 15 3.818 -0.337 -0.525 1.00 0.00 C ATOM 204 C GLN A 15 2.546 -0.664 -1.325 1.00 0.00 C ATOM 205 O GLN A 15 1.452 -0.491 -0.793 1.00 0.00 O ATOM 206 CB GLN A 15 4.376 1.049 -0.888 1.00 0.00 C ATOM 207 CG GLN A 15 5.307 1.578 0.215 1.00 0.00 C ATOM 208 CD GLN A 15 6.063 2.834 -0.226 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.651 3.962 0.012 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.192 2.683 -0.886 1.00 0.00 N ATOM 0 H GLN A 15 5.628 -1.081 -1.288 1.00 0.00 H new ATOM 0 HA GLN A 15 3.542 -0.315 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.921 0.990 -1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.553 1.747 -1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.722 1.802 1.107 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.022 0.802 0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.543 1.747 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.716 3.502 -1.195 1.00 0.00 H new ATOM 219 N LEU A 16 2.664 -1.215 -2.544 1.00 0.00 N ATOM 220 CA LEU A 16 1.516 -1.771 -3.271 1.00 0.00 C ATOM 221 C LEU A 16 0.861 -2.924 -2.492 1.00 0.00 C ATOM 222 O LEU A 16 -0.365 -2.987 -2.420 1.00 0.00 O ATOM 223 CB LEU A 16 1.936 -2.236 -4.676 1.00 0.00 C ATOM 224 CG LEU A 16 2.407 -1.133 -5.647 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.785 -1.801 -6.975 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.338 -0.057 -5.894 1.00 0.00 C ATOM 0 H LEU A 16 3.548 -1.286 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 16 0.775 -0.978 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.740 -2.965 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.093 -2.756 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 16 3.260 -0.624 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.122 -1.042 -7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.586 -2.520 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.916 -2.316 -7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.727 0.691 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.449 -0.519 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.078 0.421 -4.950 1.00 0.00 H new ATOM 238 N GLU A 17 1.652 -3.804 -1.869 1.00 0.00 N ATOM 239 CA GLU A 17 1.134 -4.909 -1.064 1.00 0.00 C ATOM 240 C GLU A 17 0.387 -4.420 0.195 1.00 0.00 C ATOM 241 O GLU A 17 -0.621 -5.006 0.588 1.00 0.00 O ATOM 242 CB GLU A 17 2.249 -5.914 -0.725 1.00 0.00 C ATOM 243 CG GLU A 17 1.657 -7.186 -0.109 1.00 0.00 C ATOM 244 CD GLU A 17 2.634 -8.369 -0.115 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.783 -8.235 0.365 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.219 -9.464 -0.564 1.00 0.00 O ATOM 0 H GLU A 17 2.671 -3.768 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 17 0.393 -5.432 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.806 -6.165 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.956 -5.461 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.354 -6.978 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.757 -7.463 -0.658 1.00 0.00 H new ATOM 253 N ASN A 18 0.823 -3.304 0.791 1.00 0.00 N ATOM 254 CA ASN A 18 0.127 -2.649 1.903 1.00 0.00 C ATOM 255 C ASN A 18 -1.260 -2.087 1.503 1.00 0.00 C ATOM 256 O ASN A 18 -2.129 -1.924 2.360 1.00 0.00 O ATOM 257 CB ASN A 18 1.039 -1.549 2.468 1.00 0.00 C ATOM 258 CG ASN A 18 0.473 -0.919 3.738 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.430 -1.541 4.794 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.028 0.324 3.679 1.00 0.00 N ATOM 0 H ASN A 18 1.679 -2.825 0.511 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.077 -3.396 2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.022 -1.970 2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.180 -0.775 1.714 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.353 0.769 4.514 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.066 0.838 2.799 1.00 0.00 H new ATOM 267 N TYR A 19 -1.490 -1.815 0.213 1.00 0.00 N ATOM 268 CA TYR A 19 -2.773 -1.358 -0.333 1.00 0.00 C ATOM 269 C TYR A 19 -3.730 -2.513 -0.720 1.00 0.00 C ATOM 270 O TYR A 19 -4.886 -2.259 -1.074 1.00 0.00 O ATOM 271 CB TYR A 19 -2.506 -0.472 -1.560 1.00 0.00 C ATOM 272 CG TYR A 19 -1.569 0.719 -1.410 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.442 1.420 -0.190 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.833 1.148 -2.536 1.00 0.00 C ATOM 275 CE1 TYR A 19 -0.557 2.512 -0.089 1.00 0.00 C ATOM 276 CE2 TYR A 19 0.053 2.235 -2.443 1.00 0.00 C ATOM 277 CZ TYR A 19 0.199 2.918 -1.214 1.00 0.00 C ATOM 278 OH TYR A 19 1.054 3.972 -1.121 1.00 0.00 O ATOM 0 H TYR A 19 -0.767 -1.910 -0.500 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.275 -0.797 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.106 -1.110 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.467 -0.095 -1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.025 1.118 0.668 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.952 0.635 -3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.456 3.039 0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.620 2.547 -3.307 1.00 0.00 H new ATOM 0 HH TYR A 19 1.493 4.114 -1.986 1.00 0.00 H new ATOM 288 N CYS A 20 -3.290 -3.776 -0.663 1.00 0.00 N ATOM 289 CA CYS A 20 -4.139 -4.944 -0.955 1.00 0.00 C ATOM 290 C CYS A 20 -5.284 -5.142 0.060 1.00 0.00 C ATOM 291 O CYS A 20 -5.216 -4.667 1.199 1.00 0.00 O ATOM 292 CB CYS A 20 -3.293 -6.222 -1.047 1.00 0.00 C ATOM 293 SG CYS A 20 -1.984 -6.207 -2.294 1.00 0.00 S ATOM 0 H CYS A 20 -2.332 -4.020 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.605 -4.741 -1.919 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.840 -6.407 -0.073 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.957 -7.061 -1.254 1.00 0.00 H new ATOM 298 N ASN A 21 -6.319 -5.884 -0.364 1.00 0.00 N ATOM 299 CA ASN A 21 -7.528 -6.251 0.392 1.00 0.00 C ATOM 300 C ASN A 21 -8.374 -5.008 0.763 1.00 0.00 C ATOM 301 O ASN A 21 -8.547 -4.704 1.967 1.00 0.00 O ATOM 302 CB ASN A 21 -7.142 -7.193 1.563 1.00 0.00 C ATOM 303 CG ASN A 21 -8.315 -7.959 2.170 1.00 0.00 C ATOM 304 OD1 ASN A 21 -8.385 -9.180 2.129 1.00 0.00 O ATOM 305 ND2 ASN A 21 -9.267 -7.270 2.752 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.895 -4.366 -0.175 1.00 0.00 O ATOM 0 H ASN A 21 -6.335 -6.270 -1.308 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.209 -6.829 -0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.401 -7.909 1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.665 -6.603 2.346 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.063 -7.752 3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.211 -6.252 2.788 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.380 -3.589 -1.048 1.00 0.00 N ATOM 315 CA PHE B 1 12.367 -3.764 -2.123 1.00 0.00 C ATOM 316 C PHE B 1 12.628 -2.802 -3.286 1.00 0.00 C ATOM 317 O PHE B 1 13.110 -1.690 -3.063 1.00 0.00 O ATOM 318 CB PHE B 1 10.930 -3.575 -1.592 1.00 0.00 C ATOM 319 CG PHE B 1 10.545 -4.515 -0.464 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.198 -5.850 -0.748 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.513 -4.054 0.869 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.818 -6.719 0.291 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.144 -4.926 1.909 1.00 0.00 C ATOM 324 CZ PHE B 1 9.797 -6.259 1.621 1.00 0.00 C ATOM 0 H1 PHE B 1 12.964 -3.854 -0.132 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.202 -4.196 -1.243 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.683 -2.595 -1.015 1.00 0.00 H new ATOM 0 HA PHE B 1 12.461 -4.788 -2.486 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.817 -2.548 -1.246 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.231 -3.713 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.224 -6.208 -1.767 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.772 -3.029 1.091 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.542 -7.739 0.068 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.127 -4.572 2.929 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.515 -6.929 2.420 1.00 0.00 H new ATOM 336 N VAL B 2 12.287 -3.188 -4.525 1.00 0.00 N ATOM 337 CA VAL B 2 12.395 -2.303 -5.703 1.00 0.00 C ATOM 338 C VAL B 2 11.353 -1.177 -5.636 1.00 0.00 C ATOM 339 O VAL B 2 10.211 -1.394 -5.229 1.00 0.00 O ATOM 340 CB VAL B 2 12.337 -3.084 -7.041 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.962 -3.702 -7.339 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.773 -2.215 -8.232 1.00 0.00 C ATOM 0 H VAL B 2 11.929 -4.118 -4.742 1.00 0.00 H new ATOM 0 HA VAL B 2 13.382 -1.841 -5.675 1.00 0.00 H new ATOM 0 HB VAL B 2 13.043 -3.904 -6.911 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.000 -4.232 -8.291 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.697 -4.400 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.212 -2.913 -7.393 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.718 -2.801 -9.149 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.113 -1.351 -8.313 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.798 -1.876 -8.079 1.00 0.00 H new ATOM 352 N ASN B 3 11.774 0.029 -6.026 1.00 0.00 N ATOM 353 CA ASN B 3 10.951 1.241 -6.090 1.00 0.00 C ATOM 354 C ASN B 3 10.844 1.775 -7.527 1.00 0.00 C ATOM 355 O ASN B 3 11.779 1.656 -8.323 1.00 0.00 O ATOM 356 CB ASN B 3 11.518 2.327 -5.162 1.00 0.00 C ATOM 357 CG ASN B 3 11.171 2.113 -3.691 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.310 2.787 -3.142 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.819 1.180 -3.014 1.00 0.00 N ATOM 0 H ASN B 3 12.737 0.195 -6.318 1.00 0.00 H new ATOM 0 HA ASN B 3 9.948 0.976 -5.755 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.602 2.357 -5.271 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.139 3.299 -5.479 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.602 1.020 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.536 0.620 -3.475 1.00 0.00 H new ATOM 366 N GLN B 4 9.696 2.368 -7.860 1.00 0.00 N ATOM 367 CA GLN B 4 9.334 2.832 -9.203 1.00 0.00 C ATOM 368 C GLN B 4 8.481 4.112 -9.123 1.00 0.00 C ATOM 369 O GLN B 4 7.819 4.367 -8.116 1.00 0.00 O ATOM 370 CB GLN B 4 8.530 1.726 -9.923 1.00 0.00 C ATOM 371 CG GLN B 4 9.300 0.408 -10.132 1.00 0.00 C ATOM 372 CD GLN B 4 8.501 -0.587 -10.976 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.754 -0.785 -12.159 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.503 -1.239 -10.413 1.00 0.00 N ATOM 0 H GLN B 4 8.962 2.546 -7.174 1.00 0.00 H new ATOM 0 HA GLN B 4 10.246 3.054 -9.757 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.628 1.517 -9.348 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.209 2.102 -10.894 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.252 0.616 -10.620 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.528 -0.037 -9.164 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.282 -1.083 -9.429 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.952 -1.899 -10.961 1.00 0.00 H new ATOM 383 N HIS B 5 8.437 4.890 -10.207 1.00 0.00 N ATOM 384 CA HIS B 5 7.352 5.843 -10.446 1.00 0.00 C ATOM 385 C HIS B 5 6.166 5.080 -11.062 1.00 0.00 C ATOM 386 O HIS B 5 6.335 4.332 -12.032 1.00 0.00 O ATOM 387 CB HIS B 5 7.796 6.962 -11.403 1.00 0.00 C ATOM 388 CG HIS B 5 8.936 7.820 -10.910 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.892 8.762 -9.908 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.194 7.867 -11.449 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.098 9.348 -9.838 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.936 8.836 -10.761 1.00 0.00 N ATOM 0 H HIS B 5 9.147 4.877 -10.939 1.00 0.00 H new ATOM 0 HA HIS B 5 7.067 6.304 -9.501 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.087 6.511 -12.352 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.940 7.606 -11.605 1.00 0.00 H new ATOM 0 HD1 HIS B 5 8.085 8.977 -9.322 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.553 7.260 -12.266 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.361 10.125 -9.136 1.00 0.00 H new ATOM 400 N LEU B 6 4.968 5.265 -10.507 1.00 0.00 N ATOM 401 CA LEU B 6 3.758 4.527 -10.876 1.00 0.00 C ATOM 402 C LEU B 6 2.566 5.488 -10.943 1.00 0.00 C ATOM 403 O LEU B 6 2.227 6.142 -9.956 1.00 0.00 O ATOM 404 CB LEU B 6 3.532 3.412 -9.839 1.00 0.00 C ATOM 405 CG LEU B 6 4.537 2.246 -9.875 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.305 1.366 -8.642 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.386 1.397 -11.145 1.00 0.00 C ATOM 0 H LEU B 6 4.807 5.950 -9.769 1.00 0.00 H new ATOM 0 HA LEU B 6 3.868 4.073 -11.861 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.557 3.857 -8.844 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.530 3.007 -9.982 1.00 0.00 H new ATOM 0 HG LEU B 6 5.546 2.660 -9.876 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.009 0.534 -8.651 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.455 1.958 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.286 0.979 -8.658 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.114 0.586 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.380 0.980 -11.187 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.557 2.021 -12.022 1.00 0.00 H new ATOM 419 N CYS B 7 1.926 5.557 -12.112 1.00 0.00 N ATOM 420 CA CYS B 7 0.862 6.516 -12.427 1.00 0.00 C ATOM 421 C CYS B 7 -0.345 5.795 -13.049 1.00 0.00 C ATOM 422 O CYS B 7 -0.183 4.958 -13.940 1.00 0.00 O ATOM 423 CB CYS B 7 1.404 7.552 -13.424 1.00 0.00 C ATOM 424 SG CYS B 7 2.978 8.363 -13.009 1.00 0.00 S ATOM 0 H CYS B 7 2.139 4.930 -12.888 1.00 0.00 H new ATOM 0 HA CYS B 7 0.541 7.007 -11.509 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.522 7.061 -14.390 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.648 8.327 -13.550 1.00 0.00 H new ATOM 429 N GLY B 8 -1.554 6.136 -12.596 1.00 0.00 N ATOM 430 CA GLY B 8 -2.829 5.749 -13.214 1.00 0.00 C ATOM 431 C GLY B 8 -2.964 4.255 -13.508 1.00 0.00 C ATOM 432 O GLY B 8 -2.882 3.410 -12.617 1.00 0.00 O ATOM 0 H GLY B 8 -1.679 6.708 -11.761 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.644 6.052 -12.556 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.949 6.302 -14.146 1.00 0.00 H new ATOM 436 N SER B 9 -3.166 3.926 -14.782 1.00 0.00 N ATOM 437 CA SER B 9 -3.328 2.550 -15.270 1.00 0.00 C ATOM 438 C SER B 9 -2.088 1.674 -15.025 1.00 0.00 C ATOM 439 O SER B 9 -2.228 0.491 -14.724 1.00 0.00 O ATOM 440 CB SER B 9 -3.666 2.590 -16.770 1.00 0.00 C ATOM 441 OG SER B 9 -2.737 3.393 -17.491 1.00 0.00 O ATOM 0 H SER B 9 -3.224 4.623 -15.525 1.00 0.00 H new ATOM 0 HA SER B 9 -4.140 2.092 -14.706 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.663 1.577 -17.172 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.673 2.984 -16.907 1.00 0.00 H new ATOM 0 HG SER B 9 -2.977 3.398 -18.441 1.00 0.00 H new ATOM 447 N HIS B 10 -0.878 2.241 -15.058 1.00 0.00 N ATOM 448 CA HIS B 10 0.354 1.508 -14.737 1.00 0.00 C ATOM 449 C HIS B 10 0.421 1.151 -13.242 1.00 0.00 C ATOM 450 O HIS B 10 0.814 0.037 -12.889 1.00 0.00 O ATOM 451 CB HIS B 10 1.574 2.340 -15.159 1.00 0.00 C ATOM 452 CG HIS B 10 1.604 2.705 -16.622 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.988 1.885 -17.661 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.267 3.917 -17.164 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.882 2.589 -18.803 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.447 3.838 -18.553 1.00 0.00 N ATOM 0 H HIS B 10 -0.723 3.218 -15.307 1.00 0.00 H new ATOM 0 HA HIS B 10 0.355 0.570 -15.292 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.596 3.256 -14.568 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.479 1.783 -14.917 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.923 4.782 -16.617 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.114 2.205 -19.785 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.282 4.578 -19.236 1.00 0.00 H new ATOM 464 N LEU B 11 -0.027 2.062 -12.361 1.00 0.00 N ATOM 465 CA LEU B 11 -0.185 1.772 -10.934 1.00 0.00 C ATOM 466 C LEU B 11 -1.246 0.692 -10.720 1.00 0.00 C ATOM 467 O LEU B 11 -0.972 -0.276 -10.022 1.00 0.00 O ATOM 468 CB LEU B 11 -0.482 3.064 -10.145 1.00 0.00 C ATOM 469 CG LEU B 11 -0.524 2.817 -8.617 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.053 4.025 -7.873 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.946 2.568 -8.088 1.00 0.00 C ATOM 0 H LEU B 11 -0.287 3.013 -12.621 1.00 0.00 H new ATOM 0 HA LEU B 11 0.753 1.376 -10.545 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.281 3.809 -10.370 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.437 3.476 -10.471 1.00 0.00 H new ATOM 0 HG LEU B 11 0.070 1.921 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.019 3.841 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.086 4.183 -8.182 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.535 4.912 -8.108 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.910 2.402 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.570 3.436 -8.300 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.367 1.690 -8.577 1.00 0.00 H new ATOM 483 N VAL B 12 -2.425 0.827 -11.335 1.00 0.00 N ATOM 484 CA VAL B 12 -3.524 -0.154 -11.205 1.00 0.00 C ATOM 485 C VAL B 12 -3.106 -1.547 -11.692 1.00 0.00 C ATOM 486 O VAL B 12 -3.425 -2.538 -11.040 1.00 0.00 O ATOM 487 CB VAL B 12 -4.803 0.326 -11.930 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.896 -0.752 -12.032 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.409 1.530 -11.191 1.00 0.00 C ATOM 0 H VAL B 12 -2.651 1.617 -11.939 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.753 -0.234 -10.142 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.486 0.586 -12.940 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.762 -0.344 -12.552 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.511 -1.609 -12.585 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.190 -1.068 -11.031 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.309 1.860 -11.710 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.663 1.241 -10.171 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.685 2.344 -11.167 1.00 0.00 H new ATOM 499 N GLU B 13 -2.358 -1.634 -12.797 1.00 0.00 N ATOM 500 CA GLU B 13 -1.813 -2.891 -13.311 1.00 0.00 C ATOM 501 C GLU B 13 -0.819 -3.526 -12.328 1.00 0.00 C ATOM 502 O GLU B 13 -0.957 -4.697 -11.978 1.00 0.00 O ATOM 503 CB GLU B 13 -1.153 -2.636 -14.679 1.00 0.00 C ATOM 504 CG GLU B 13 -0.694 -3.928 -15.363 1.00 0.00 C ATOM 505 CD GLU B 13 -0.181 -3.647 -16.783 1.00 0.00 C ATOM 506 OE1 GLU B 13 0.996 -3.241 -16.935 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.949 -3.839 -17.756 1.00 0.00 O ATOM 0 H GLU B 13 -2.112 -0.823 -13.365 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.631 -3.601 -13.431 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.859 -2.117 -15.328 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.296 -1.975 -14.547 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.095 -4.395 -14.773 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.522 -4.635 -15.405 1.00 0.00 H new ATOM 514 N ALA B 14 0.156 -2.753 -11.835 1.00 0.00 N ATOM 515 CA ALA B 14 1.153 -3.238 -10.871 1.00 0.00 C ATOM 516 C ALA B 14 0.495 -3.688 -9.555 1.00 0.00 C ATOM 517 O ALA B 14 0.772 -4.781 -9.053 1.00 0.00 O ATOM 518 CB ALA B 14 2.187 -2.127 -10.652 1.00 0.00 C ATOM 0 H ALA B 14 0.277 -1.773 -12.093 1.00 0.00 H new ATOM 0 HA ALA B 14 1.654 -4.121 -11.267 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.939 -2.465 -9.939 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.669 -1.886 -11.600 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.690 -1.239 -10.262 1.00 0.00 H new ATOM 524 N LEU B 15 -0.425 -2.876 -9.026 1.00 0.00 N ATOM 525 CA LEU B 15 -1.193 -3.138 -7.815 1.00 0.00 C ATOM 526 C LEU B 15 -1.995 -4.439 -7.932 1.00 0.00 C ATOM 527 O LEU B 15 -1.839 -5.329 -7.101 1.00 0.00 O ATOM 528 CB LEU B 15 -2.075 -1.898 -7.565 1.00 0.00 C ATOM 529 CG LEU B 15 -2.962 -1.942 -6.313 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.173 -2.213 -5.027 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.697 -0.601 -6.192 1.00 0.00 C ATOM 0 H LEU B 15 -0.662 -1.980 -9.452 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.539 -3.294 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.427 -1.024 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.716 -1.752 -8.435 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.661 -2.770 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.856 -2.232 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.667 -3.175 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.434 -1.425 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.333 -0.613 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.970 0.206 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.311 -0.442 -7.078 1.00 0.00 H new ATOM 543 N TYR B 16 -2.772 -4.605 -9.006 1.00 0.00 N ATOM 544 CA TYR B 16 -3.498 -5.842 -9.302 1.00 0.00 C ATOM 545 C TYR B 16 -2.574 -7.074 -9.356 1.00 0.00 C ATOM 546 O TYR B 16 -2.913 -8.118 -8.799 1.00 0.00 O ATOM 547 CB TYR B 16 -4.256 -5.681 -10.628 1.00 0.00 C ATOM 548 CG TYR B 16 -4.937 -6.954 -11.102 1.00 0.00 C ATOM 549 CD1 TYR B 16 -6.047 -7.468 -10.396 1.00 0.00 C ATOM 550 CD2 TYR B 16 -4.429 -7.652 -12.215 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.645 -8.676 -10.801 1.00 0.00 C ATOM 552 CE2 TYR B 16 -5.027 -8.859 -12.624 1.00 0.00 C ATOM 553 CZ TYR B 16 -6.135 -9.375 -11.917 1.00 0.00 C ATOM 554 OH TYR B 16 -6.702 -10.550 -12.314 1.00 0.00 O ATOM 0 H TYR B 16 -2.916 -3.874 -9.703 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.201 -6.017 -8.488 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.007 -4.899 -10.514 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.559 -5.345 -11.396 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.438 -6.933 -9.543 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.580 -7.261 -12.755 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.493 -9.068 -10.259 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.638 -9.391 -13.480 1.00 0.00 H new ATOM 0 HH TYR B 16 -6.226 -10.894 -13.099 1.00 0.00 H new ATOM 564 N LEU B 17 -1.398 -6.955 -9.981 1.00 0.00 N ATOM 565 CA LEU B 17 -0.429 -8.049 -10.120 1.00 0.00 C ATOM 566 C LEU B 17 0.309 -8.373 -8.812 1.00 0.00 C ATOM 567 O LEU B 17 0.609 -9.542 -8.568 1.00 0.00 O ATOM 568 CB LEU B 17 0.556 -7.723 -11.259 1.00 0.00 C ATOM 569 CG LEU B 17 -0.063 -7.763 -12.675 1.00 0.00 C ATOM 570 CD1 LEU B 17 0.957 -7.207 -13.679 1.00 0.00 C ATOM 571 CD2 LEU B 17 -0.483 -9.183 -13.091 1.00 0.00 C ATOM 0 H LEU B 17 -1.087 -6.084 -10.411 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.985 -8.952 -10.370 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.974 -6.731 -11.087 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.385 -8.430 -11.219 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.966 -7.153 -12.665 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.530 -7.231 -14.682 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.205 -6.179 -13.414 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.861 -7.816 -13.655 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.912 -9.157 -14.093 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.389 -9.836 -13.087 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -1.225 -9.563 -12.389 1.00 0.00 H new ATOM 583 N VAL B 18 0.553 -7.382 -7.952 1.00 0.00 N ATOM 584 CA VAL B 18 1.095 -7.582 -6.593 1.00 0.00 C ATOM 585 C VAL B 18 0.056 -8.271 -5.701 1.00 0.00 C ATOM 586 O VAL B 18 0.391 -9.214 -4.981 1.00 0.00 O ATOM 587 CB VAL B 18 1.573 -6.249 -5.962 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.808 -6.332 -4.444 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.890 -5.789 -6.612 1.00 0.00 C ATOM 0 H VAL B 18 0.380 -6.402 -8.176 1.00 0.00 H new ATOM 0 HA VAL B 18 1.968 -8.229 -6.674 1.00 0.00 H new ATOM 0 HB VAL B 18 0.765 -5.540 -6.144 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.141 -5.362 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.879 -6.611 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.571 -7.082 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.212 -4.852 -6.158 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.656 -6.549 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.736 -5.640 -7.681 1.00 0.00 H new ATOM 599 N CYS B 19 -1.200 -7.821 -5.745 1.00 0.00 N ATOM 600 CA CYS B 19 -2.253 -8.335 -4.861 1.00 0.00 C ATOM 601 C CYS B 19 -2.793 -9.703 -5.290 1.00 0.00 C ATOM 602 O CYS B 19 -3.117 -10.522 -4.427 1.00 0.00 O ATOM 603 CB CYS B 19 -3.385 -7.309 -4.760 1.00 0.00 C ATOM 604 SG CYS B 19 -2.878 -5.718 -4.054 1.00 0.00 S ATOM 0 H CYS B 19 -1.516 -7.096 -6.389 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.803 -8.488 -3.880 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.797 -7.139 -5.755 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.186 -7.726 -4.150 1.00 0.00 H new ATOM 609 N GLY B 20 -2.884 -9.964 -6.596 1.00 0.00 N ATOM 610 CA GLY B 20 -3.459 -11.193 -7.147 1.00 0.00 C ATOM 611 C GLY B 20 -4.939 -11.328 -6.777 1.00 0.00 C ATOM 612 O GLY B 20 -5.719 -10.388 -6.941 1.00 0.00 O ATOM 0 H GLY B 20 -2.555 -9.317 -7.312 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.351 -11.193 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.908 -12.055 -6.772 1.00 0.00 H new ATOM 616 N GLU B 21 -5.321 -12.489 -6.250 1.00 0.00 N ATOM 617 CA GLU B 21 -6.692 -12.797 -5.822 1.00 0.00 C ATOM 618 C GLU B 21 -7.176 -11.967 -4.611 1.00 0.00 C ATOM 619 O GLU B 21 -8.379 -11.926 -4.339 1.00 0.00 O ATOM 620 CB GLU B 21 -6.802 -14.297 -5.490 1.00 0.00 C ATOM 621 CG GLU B 21 -6.601 -15.192 -6.719 1.00 0.00 C ATOM 622 CD GLU B 21 -6.797 -16.670 -6.357 1.00 0.00 C ATOM 623 OE1 GLU B 21 -5.806 -17.336 -5.973 1.00 0.00 O ATOM 624 OE2 GLU B 21 -7.939 -17.178 -6.453 1.00 0.00 O ATOM 0 H GLU B 21 -4.673 -13.263 -6.103 1.00 0.00 H new ATOM 0 HA GLU B 21 -7.340 -12.529 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -6.060 -14.553 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.781 -14.498 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -7.306 -14.908 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.600 -15.042 -7.123 1.00 0.00 H new ATOM 631 N ARG B 22 -6.269 -11.289 -3.888 1.00 0.00 N ATOM 632 CA ARG B 22 -6.596 -10.507 -2.682 1.00 0.00 C ATOM 633 C ARG B 22 -7.420 -9.239 -2.972 1.00 0.00 C ATOM 634 O ARG B 22 -8.106 -8.745 -2.076 1.00 0.00 O ATOM 635 CB ARG B 22 -5.301 -10.121 -1.945 1.00 0.00 C ATOM 636 CG ARG B 22 -4.540 -11.351 -1.416 1.00 0.00 C ATOM 637 CD ARG B 22 -3.237 -10.981 -0.695 1.00 0.00 C ATOM 638 NE ARG B 22 -2.162 -10.617 -1.641 1.00 0.00 N ATOM 639 CZ ARG B 22 -0.908 -10.323 -1.309 1.00 0.00 C ATOM 640 NH1 ARG B 22 -0.494 -10.265 -0.062 1.00 0.00 N ATOM 641 NH2 ARG B 22 0.007 -10.078 -2.218 1.00 0.00 N ATOM 0 H ARG B 22 -5.277 -11.268 -4.126 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.219 -11.149 -2.059 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.655 -9.560 -2.620 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.543 -9.460 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.184 -11.904 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.313 -12.017 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.422 -10.146 -0.019 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.911 -11.822 -0.082 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.402 -10.589 -2.632 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.145 -10.450 0.701 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.479 -10.035 0.142 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.236 -10.110 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.961 -9.855 -1.934 1.00 0.00 H new ATOM 655 N GLY B 23 -7.342 -8.685 -4.192 1.00 0.00 N ATOM 656 CA GLY B 23 -7.916 -7.375 -4.540 1.00 0.00 C ATOM 657 C GLY B 23 -7.178 -6.216 -3.866 1.00 0.00 C ATOM 658 O GLY B 23 -6.163 -6.430 -3.198 1.00 0.00 O ATOM 0 H GLY B 23 -6.872 -9.140 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.883 -7.243 -5.621 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -8.966 -7.352 -4.248 1.00 0.00 H new ATOM 662 N PHE B 24 -7.668 -4.983 -4.035 1.00 0.00 N ATOM 663 CA PHE B 24 -6.992 -3.774 -3.545 1.00 0.00 C ATOM 664 C PHE B 24 -7.916 -2.576 -3.262 1.00 0.00 C ATOM 665 O PHE B 24 -8.992 -2.430 -3.850 1.00 0.00 O ATOM 666 CB PHE B 24 -5.891 -3.377 -4.545 1.00 0.00 C ATOM 667 CG PHE B 24 -6.380 -3.098 -5.958 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.885 -1.829 -6.295 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.327 -4.110 -6.934 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.341 -1.571 -7.599 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.793 -3.856 -8.236 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.296 -2.587 -8.570 1.00 0.00 C ATOM 0 H PHE B 24 -8.547 -4.794 -4.517 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.572 -4.033 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.383 -2.489 -4.170 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.150 -4.176 -4.583 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.922 -1.050 -5.548 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.928 -5.082 -6.683 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.725 -0.595 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.764 -4.638 -8.981 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.648 -2.392 -9.572 1.00 0.00 H new ATOM 682 N PHE B 25 -7.418 -1.677 -2.408 1.00 0.00 N ATOM 683 CA PHE B 25 -7.868 -0.297 -2.239 1.00 0.00 C ATOM 684 C PHE B 25 -7.051 0.637 -3.147 1.00 0.00 C ATOM 685 O PHE B 25 -5.868 0.405 -3.393 1.00 0.00 O ATOM 686 CB PHE B 25 -7.711 0.090 -0.761 1.00 0.00 C ATOM 687 CG PHE B 25 -8.130 1.508 -0.432 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.496 1.831 -0.305 1.00 0.00 C ATOM 689 CD2 PHE B 25 -7.159 2.516 -0.259 1.00 0.00 C ATOM 690 CE1 PHE B 25 -9.885 3.150 0.001 1.00 0.00 C ATOM 691 CE2 PHE B 25 -7.553 3.832 0.050 1.00 0.00 C ATOM 692 CZ PHE B 25 -8.913 4.148 0.182 1.00 0.00 C ATOM 0 H PHE B 25 -6.647 -1.908 -1.782 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.916 -0.202 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.299 -0.599 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.668 -0.043 -0.473 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.246 1.066 -0.443 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.111 2.278 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.933 3.394 0.097 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -6.806 4.600 0.186 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.213 5.157 0.423 1.00 0.00 H new ATOM 702 N TYR B 26 -7.678 1.708 -3.635 1.00 0.00 N ATOM 703 CA TYR B 26 -7.106 2.627 -4.629 1.00 0.00 C ATOM 704 C TYR B 26 -7.760 4.018 -4.575 1.00 0.00 C ATOM 705 O TYR B 26 -8.982 4.124 -4.423 1.00 0.00 O ATOM 706 CB TYR B 26 -7.272 1.987 -6.020 1.00 0.00 C ATOM 707 CG TYR B 26 -7.068 2.917 -7.202 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.789 3.085 -7.763 1.00 0.00 C ATOM 709 CD2 TYR B 26 -8.171 3.600 -7.754 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.619 3.920 -8.882 1.00 0.00 C ATOM 711 CE2 TYR B 26 -8.004 4.438 -8.870 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.724 4.593 -9.446 1.00 0.00 C ATOM 713 OH TYR B 26 -6.574 5.374 -10.552 1.00 0.00 O ATOM 0 H TYR B 26 -8.620 1.970 -3.345 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.050 2.783 -4.409 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.566 1.161 -6.106 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.273 1.560 -6.086 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.939 2.574 -7.335 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -9.151 3.478 -7.316 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.637 4.047 -9.312 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.852 4.962 -9.286 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.440 5.758 -10.801 1.00 0.00 H new ATOM 723 N THR B 27 -6.952 5.077 -4.746 1.00 0.00 N ATOM 724 CA THR B 27 -7.384 6.482 -4.759 1.00 0.00 C ATOM 725 C THR B 27 -6.618 7.298 -5.817 1.00 0.00 C ATOM 726 O THR B 27 -5.382 7.364 -5.752 1.00 0.00 O ATOM 727 CB THR B 27 -7.231 7.123 -3.368 1.00 0.00 C ATOM 728 OG1 THR B 27 -5.967 6.812 -2.815 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.299 6.642 -2.388 1.00 0.00 C ATOM 0 H THR B 27 -5.947 4.974 -4.884 1.00 0.00 H new ATOM 0 HA THR B 27 -8.441 6.493 -5.027 1.00 0.00 H new ATOM 0 HB THR B 27 -7.338 8.198 -3.514 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.944 7.089 -1.875 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.149 7.122 -1.421 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.287 6.899 -2.771 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.225 5.561 -2.271 1.00 0.00 H new ATOM 737 N PRO B 28 -7.316 7.946 -6.774 1.00 0.00 N ATOM 738 CA PRO B 28 -6.739 8.913 -7.700 1.00 0.00 C ATOM 739 C PRO B 28 -6.674 10.313 -7.048 1.00 0.00 C ATOM 740 O PRO B 28 -6.803 10.453 -5.830 1.00 0.00 O ATOM 741 CB PRO B 28 -7.665 8.850 -8.925 1.00 0.00 C ATOM 742 CG PRO B 28 -9.036 8.652 -8.287 1.00 0.00 C ATOM 743 CD PRO B 28 -8.733 7.762 -7.083 1.00 0.00 C ATOM 0 HA PRO B 28 -5.708 8.696 -7.980 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -7.620 9.765 -9.516 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.404 8.027 -9.590 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.481 9.600 -7.985 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -9.735 8.176 -8.974 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -9.354 8.038 -6.231 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -8.948 6.718 -7.309 1.00 0.00 H new ATOM 751 N LYS B 29 -6.501 11.368 -7.856 1.00 0.00 N ATOM 752 CA LYS B 29 -6.623 12.766 -7.412 1.00 0.00 C ATOM 753 C LYS B 29 -8.063 13.150 -6.988 1.00 0.00 C ATOM 754 O LYS B 29 -8.245 13.999 -6.111 1.00 0.00 O ATOM 755 CB LYS B 29 -6.088 13.661 -8.551 1.00 0.00 C ATOM 756 CG LYS B 29 -6.185 15.170 -8.253 1.00 0.00 C ATOM 757 CD LYS B 29 -5.557 16.043 -9.350 1.00 0.00 C ATOM 758 CE LYS B 29 -4.026 15.928 -9.464 1.00 0.00 C ATOM 759 NZ LYS B 29 -3.326 16.510 -8.289 1.00 0.00 N ATOM 0 H LYS B 29 -6.270 11.276 -8.845 1.00 0.00 H new ATOM 0 HA LYS B 29 -6.032 12.911 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -5.046 13.404 -8.744 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -6.644 13.444 -9.463 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -7.233 15.444 -8.135 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -5.692 15.379 -7.304 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -6.001 15.774 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -5.817 17.084 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -3.750 14.879 -9.565 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -3.693 16.434 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -2.300 16.501 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -3.645 17.489 -8.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -3.543 15.947 -7.442 1.00 0.00 H new ATOM 773 N THR B 30 -9.076 12.527 -7.607 1.00 0.00 N ATOM 774 CA THR B 30 -10.521 12.783 -7.412 1.00 0.00 C ATOM 775 C THR B 30 -10.988 12.512 -5.975 1.00 0.00 C ATOM 776 O THR B 30 -10.749 11.397 -5.455 1.00 0.00 O ATOM 777 CB THR B 30 -11.352 11.939 -8.389 1.00 0.00 C ATOM 778 OG1 THR B 30 -10.802 12.022 -9.691 1.00 0.00 O ATOM 779 CG2 THR B 30 -12.809 12.394 -8.470 1.00 0.00 C ATOM 780 OXT THR B 30 -11.604 13.419 -5.370 1.00 0.00 O ATOM 0 H THR B 30 -8.907 11.792 -8.294 1.00 0.00 H new ATOM 0 HA THR B 30 -10.675 13.844 -7.610 1.00 0.00 H new ATOM 0 HB THR B 30 -11.325 10.917 -8.010 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.337 11.480 -10.307 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.349 11.762 -9.175 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.270 12.315 -7.485 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.849 13.430 -8.807 1.00 0.00 H new TER 788 THR B 30