USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 1 GLY N :NH3+ -160:sc= 0.164 (180deg=0) USER MOD Set 1.2: A 5 GLN : amide:sc= 1.17 K(o=3.1,f=-2.8) USER MOD Set 1.3: A 12 SER OG : rot 180:sc= 0.0273 USER MOD Set 1.4: A 15 GLN : amide:sc= 1.08 K(o=3.1,f=-1.1!) USER MOD Set 1.5: A 19 TYR OH : rot 162:sc= 0.654 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 21 ASN : amide:sc= -0.0482 K(o=-0.048,f=-1.4) USER MOD Single : B 1 PHE N :NH3+ 132:sc= 0.0113 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 4 GLN : amide:sc= 0.842 K(o=0.84,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.38) USER MOD Single : B 9 SER OG : rot 180:sc= 0 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= 0.48 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.610 -2.724 -1.668 1.00 0.00 N ATOM 2 CA GLY A 1 1.183 -2.421 -1.913 1.00 0.00 C ATOM 3 C GLY A 1 1.019 -1.014 -2.460 1.00 0.00 C ATOM 4 O GLY A 1 1.453 -0.054 -1.822 1.00 0.00 O ATOM 0 H1 GLY A 1 2.744 -3.754 -1.626 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.186 -2.331 -2.440 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.905 -2.300 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.769 -3.141 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.620 -2.524 -0.985 1.00 0.00 H new ATOM 10 N ILE A 2 0.414 -0.874 -3.644 1.00 0.00 N ATOM 11 CA ILE A 2 0.448 0.374 -4.429 1.00 0.00 C ATOM 12 C ILE A 2 -0.219 1.564 -3.725 1.00 0.00 C ATOM 13 O ILE A 2 0.342 2.658 -3.707 1.00 0.00 O ATOM 14 CB ILE A 2 -0.125 0.129 -5.844 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.278 1.299 -6.762 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.643 -0.136 -5.856 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.201 1.155 -8.209 1.00 0.00 C ATOM 0 H ILE A 2 -0.116 -1.623 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 2 1.494 0.664 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 2 0.311 -0.793 -6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.122 2.225 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.364 1.392 -6.758 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.976 -0.299 -6.881 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.863 -1.020 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.166 0.724 -5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.124 2.020 -8.788 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.220 0.248 -8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.289 1.094 -8.228 1.00 0.00 H new ATOM 29 N VAL A 3 -1.374 1.352 -3.087 1.00 0.00 N ATOM 30 CA VAL A 3 -2.107 2.393 -2.346 1.00 0.00 C ATOM 31 C VAL A 3 -1.264 2.975 -1.206 1.00 0.00 C ATOM 32 O VAL A 3 -1.154 4.191 -1.075 1.00 0.00 O ATOM 33 CB VAL A 3 -3.477 1.864 -1.866 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.410 0.595 -1.001 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.254 2.927 -1.085 1.00 0.00 C ATOM 0 H VAL A 3 -1.835 0.442 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.306 3.220 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.991 1.607 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.418 0.298 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.945 -0.209 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.820 0.795 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.211 2.516 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.678 3.229 -0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.426 3.794 -1.723 1.00 0.00 H new ATOM 45 N GLU A 4 -0.593 2.134 -0.422 1.00 0.00 N ATOM 46 CA GLU A 4 0.242 2.595 0.691 1.00 0.00 C ATOM 47 C GLU A 4 1.560 3.234 0.219 1.00 0.00 C ATOM 48 O GLU A 4 2.036 4.186 0.837 1.00 0.00 O ATOM 49 CB GLU A 4 0.479 1.432 1.663 1.00 0.00 C ATOM 50 CG GLU A 4 1.092 1.941 2.970 1.00 0.00 C ATOM 51 CD GLU A 4 1.169 0.822 4.026 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.161 0.051 4.030 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 0.243 0.707 4.866 1.00 0.00 O ATOM 0 H GLU A 4 -0.610 1.121 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.291 3.389 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.464 0.926 1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.142 0.697 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.091 2.331 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.496 2.768 3.356 1.00 0.00 H new ATOM 60 N GLN A 5 2.135 2.772 -0.897 1.00 0.00 N ATOM 61 CA GLN A 5 3.346 3.382 -1.458 1.00 0.00 C ATOM 62 C GLN A 5 3.082 4.718 -2.173 1.00 0.00 C ATOM 63 O GLN A 5 3.951 5.587 -2.136 1.00 0.00 O ATOM 64 CB GLN A 5 4.062 2.395 -2.391 1.00 0.00 C ATOM 65 CG GLN A 5 4.772 1.287 -1.591 1.00 0.00 C ATOM 66 CD GLN A 5 5.678 0.401 -2.444 1.00 0.00 C ATOM 67 OE1 GLN A 5 5.825 0.565 -3.649 1.00 0.00 O ATOM 68 NE2 GLN A 5 6.333 -0.575 -1.855 1.00 0.00 N ATOM 0 H GLN A 5 1.781 1.977 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 5 3.995 3.614 -0.614 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.340 1.948 -3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.790 2.930 -3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.366 1.745 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.021 0.664 -1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.225 -0.729 -0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.949 -1.178 -2.401 1.00 0.00 H new ATOM 77 N CYS A 6 1.919 4.891 -2.815 1.00 0.00 N ATOM 78 CA CYS A 6 1.634 6.047 -3.675 1.00 0.00 C ATOM 79 C CYS A 6 0.607 7.070 -3.130 1.00 0.00 C ATOM 80 O CYS A 6 0.736 8.255 -3.441 1.00 0.00 O ATOM 81 CB CYS A 6 1.185 5.533 -5.046 1.00 0.00 C ATOM 82 SG CYS A 6 2.383 4.551 -5.995 1.00 0.00 S ATOM 0 H CYS A 6 1.145 4.229 -2.752 1.00 0.00 H new ATOM 0 HA CYS A 6 2.565 6.611 -3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.289 4.928 -4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.897 6.392 -5.652 1.00 0.00 H new ATOM 87 N CYS A 7 -0.405 6.679 -2.337 1.00 0.00 N ATOM 88 CA CYS A 7 -1.496 7.607 -1.969 1.00 0.00 C ATOM 89 C CYS A 7 -1.195 8.456 -0.718 1.00 0.00 C ATOM 90 O CYS A 7 -1.740 9.553 -0.574 1.00 0.00 O ATOM 91 CB CYS A 7 -2.820 6.850 -1.787 1.00 0.00 C ATOM 92 SG CYS A 7 -3.588 6.189 -3.289 1.00 0.00 S ATOM 0 H CYS A 7 -0.494 5.743 -1.942 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.583 8.304 -2.802 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.648 6.022 -1.100 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.533 7.520 -1.306 1.00 0.00 H new ATOM 97 N THR A 8 -0.348 7.957 0.188 1.00 0.00 N ATOM 98 CA THR A 8 -0.006 8.595 1.481 1.00 0.00 C ATOM 99 C THR A 8 1.446 9.109 1.548 1.00 0.00 C ATOM 100 O THR A 8 1.780 9.973 2.364 1.00 0.00 O ATOM 101 CB THR A 8 -0.372 7.646 2.635 1.00 0.00 C ATOM 102 OG1 THR A 8 -0.208 8.260 3.895 1.00 0.00 O ATOM 103 CG2 THR A 8 0.435 6.352 2.614 1.00 0.00 C ATOM 0 H THR A 8 0.138 7.071 0.046 1.00 0.00 H new ATOM 0 HA THR A 8 -0.605 9.500 1.581 1.00 0.00 H new ATOM 0 HB THR A 8 -1.424 7.404 2.482 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.452 7.626 4.602 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.134 5.722 3.451 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.252 5.824 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.497 6.584 2.698 1.00 0.00 H new ATOM 111 N SER A 9 2.304 8.630 0.643 1.00 0.00 N ATOM 112 CA SER A 9 3.677 9.100 0.408 1.00 0.00 C ATOM 113 C SER A 9 4.026 9.034 -1.091 1.00 0.00 C ATOM 114 O SER A 9 3.233 8.552 -1.903 1.00 0.00 O ATOM 115 CB SER A 9 4.671 8.300 1.267 1.00 0.00 C ATOM 116 OG SER A 9 4.631 6.913 0.970 1.00 0.00 O ATOM 0 H SER A 9 2.049 7.863 0.020 1.00 0.00 H new ATOM 0 HA SER A 9 3.749 10.145 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.680 8.678 1.101 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.443 8.452 2.322 1.00 0.00 H new ATOM 0 HG SER A 9 5.277 6.439 1.534 1.00 0.00 H new ATOM 122 N ILE A 10 5.193 9.552 -1.487 1.00 0.00 N ATOM 123 CA ILE A 10 5.641 9.565 -2.891 1.00 0.00 C ATOM 124 C ILE A 10 6.078 8.163 -3.352 1.00 0.00 C ATOM 125 O ILE A 10 6.806 7.466 -2.639 1.00 0.00 O ATOM 126 CB ILE A 10 6.757 10.622 -3.088 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.155 12.029 -2.874 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.417 10.516 -4.472 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.112 13.208 -3.088 1.00 0.00 C ATOM 0 H ILE A 10 5.860 9.977 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 10 4.800 9.850 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 10 7.542 10.438 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.308 12.147 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.763 12.084 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.193 11.276 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.862 9.528 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.665 10.669 -5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.582 14.144 -2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.949 13.128 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.487 13.191 -4.111 1.00 0.00 H new ATOM 141 N CYS A 11 5.712 7.801 -4.588 1.00 0.00 N ATOM 142 CA CYS A 11 6.249 6.645 -5.311 1.00 0.00 C ATOM 143 C CYS A 11 6.834 7.038 -6.681 1.00 0.00 C ATOM 144 O CYS A 11 6.498 8.089 -7.238 1.00 0.00 O ATOM 145 CB CYS A 11 5.172 5.558 -5.424 1.00 0.00 C ATOM 146 SG CYS A 11 3.797 5.907 -6.550 1.00 0.00 S ATOM 0 H CYS A 11 5.016 8.318 -5.125 1.00 0.00 H new ATOM 0 HA CYS A 11 7.084 6.238 -4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.651 4.633 -5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.763 5.377 -4.430 1.00 0.00 H new ATOM 151 N SER A 12 7.715 6.196 -7.226 1.00 0.00 N ATOM 152 CA SER A 12 8.364 6.394 -8.528 1.00 0.00 C ATOM 153 C SER A 12 7.687 5.605 -9.646 1.00 0.00 C ATOM 154 O SER A 12 6.946 4.646 -9.409 1.00 0.00 O ATOM 155 CB SER A 12 9.842 5.997 -8.453 1.00 0.00 C ATOM 156 OG SER A 12 9.970 4.589 -8.344 1.00 0.00 O ATOM 0 H SER A 12 8.006 5.335 -6.763 1.00 0.00 H new ATOM 0 HA SER A 12 8.272 7.454 -8.765 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.365 6.348 -9.342 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.312 6.479 -7.595 1.00 0.00 H new ATOM 0 HG SER A 12 10.919 4.349 -8.299 1.00 0.00 H new ATOM 162 N LEU A 13 8.039 5.939 -10.889 1.00 0.00 N ATOM 163 CA LEU A 13 7.678 5.152 -12.068 1.00 0.00 C ATOM 164 C LEU A 13 8.191 3.699 -11.981 1.00 0.00 C ATOM 165 O LEU A 13 7.541 2.781 -12.477 1.00 0.00 O ATOM 166 CB LEU A 13 8.163 5.915 -13.311 1.00 0.00 C ATOM 167 CG LEU A 13 9.672 5.855 -13.621 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.002 4.720 -14.590 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.119 7.159 -14.277 1.00 0.00 C ATOM 0 H LEU A 13 8.588 6.771 -11.107 1.00 0.00 H new ATOM 0 HA LEU A 13 6.596 5.040 -12.133 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.623 5.531 -14.177 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.881 6.962 -13.198 1.00 0.00 H new ATOM 0 HG LEU A 13 10.188 5.690 -12.675 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.074 4.709 -14.785 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.703 3.768 -14.151 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.464 4.873 -15.526 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.186 7.110 -14.493 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.567 7.307 -15.205 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.924 7.992 -13.601 1.00 0.00 H new ATOM 181 N TYR A 14 9.315 3.481 -11.289 1.00 0.00 N ATOM 182 CA TYR A 14 9.927 2.157 -11.115 1.00 0.00 C ATOM 183 C TYR A 14 9.149 1.274 -10.124 1.00 0.00 C ATOM 184 O TYR A 14 9.130 0.051 -10.265 1.00 0.00 O ATOM 185 CB TYR A 14 11.385 2.316 -10.660 1.00 0.00 C ATOM 186 CG TYR A 14 12.218 3.259 -11.512 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.643 2.860 -12.794 1.00 0.00 C ATOM 188 CD2 TYR A 14 12.558 4.536 -11.024 1.00 0.00 C ATOM 189 CE1 TYR A 14 13.409 3.737 -13.588 1.00 0.00 C ATOM 190 CE2 TYR A 14 13.315 5.420 -11.819 1.00 0.00 C ATOM 191 CZ TYR A 14 13.743 5.021 -13.106 1.00 0.00 C ATOM 192 OH TYR A 14 14.475 5.865 -13.884 1.00 0.00 O ATOM 0 H TYR A 14 9.833 4.229 -10.827 1.00 0.00 H new ATOM 0 HA TYR A 14 9.895 1.651 -12.080 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.393 2.676 -9.631 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.860 1.335 -10.658 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.382 1.881 -13.169 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.238 4.838 -10.038 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.741 3.426 -14.567 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.568 6.401 -11.445 1.00 0.00 H new ATOM 0 HH TYR A 14 14.618 6.709 -13.407 1.00 0.00 H new ATOM 202 N GLN A 15 8.469 1.884 -9.147 1.00 0.00 N ATOM 203 CA GLN A 15 7.554 1.191 -8.232 1.00 0.00 C ATOM 204 C GLN A 15 6.253 0.807 -8.938 1.00 0.00 C ATOM 205 O GLN A 15 5.799 -0.328 -8.804 1.00 0.00 O ATOM 206 CB GLN A 15 7.278 2.080 -7.011 1.00 0.00 C ATOM 207 CG GLN A 15 8.521 2.243 -6.134 1.00 0.00 C ATOM 208 CD GLN A 15 8.253 3.251 -5.029 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.736 4.373 -5.042 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.419 2.921 -4.070 1.00 0.00 N ATOM 0 H GLN A 15 8.539 2.886 -8.967 1.00 0.00 H new ATOM 0 HA GLN A 15 8.025 0.267 -7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.938 3.060 -7.345 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.471 1.646 -6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.798 1.282 -5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.363 2.573 -6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.010 1.987 -4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.180 3.599 -3.346 1.00 0.00 H new ATOM 219 N LEU A 16 5.688 1.706 -9.751 1.00 0.00 N ATOM 220 CA LEU A 16 4.482 1.422 -10.541 1.00 0.00 C ATOM 221 C LEU A 16 4.645 0.215 -11.492 1.00 0.00 C ATOM 222 O LEU A 16 3.701 -0.556 -11.674 1.00 0.00 O ATOM 223 CB LEU A 16 4.095 2.655 -11.354 1.00 0.00 C ATOM 224 CG LEU A 16 3.710 3.916 -10.566 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.423 5.033 -11.565 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.478 3.726 -9.685 1.00 0.00 C ATOM 0 H LEU A 16 6.052 2.650 -9.881 1.00 0.00 H new ATOM 0 HA LEU A 16 3.697 1.166 -9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.930 2.906 -12.008 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.256 2.388 -11.997 1.00 0.00 H new ATOM 0 HG LEU A 16 4.543 4.155 -9.905 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.147 5.940 -11.027 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.314 5.223 -12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.603 4.735 -12.218 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.262 4.655 -9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.625 3.455 -10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.667 2.933 -8.962 1.00 0.00 H new ATOM 238 N GLU A 17 5.841 0.005 -12.053 1.00 0.00 N ATOM 239 CA GLU A 17 6.157 -1.156 -12.906 1.00 0.00 C ATOM 240 C GLU A 17 6.015 -2.516 -12.192 1.00 0.00 C ATOM 241 O GLU A 17 5.808 -3.534 -12.856 1.00 0.00 O ATOM 242 CB GLU A 17 7.579 -1.034 -13.481 1.00 0.00 C ATOM 243 CG GLU A 17 7.685 -0.035 -14.639 1.00 0.00 C ATOM 244 CD GLU A 17 9.103 -0.054 -15.245 1.00 0.00 C ATOM 245 OE1 GLU A 17 10.045 0.501 -14.631 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 9.290 -0.642 -16.340 1.00 0.00 O ATOM 0 H GLU A 17 6.629 0.641 -11.929 1.00 0.00 H new ATOM 0 HA GLU A 17 5.417 -1.138 -13.706 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.259 -0.730 -12.686 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.909 -2.014 -13.825 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.952 -0.282 -15.407 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.449 0.968 -14.284 1.00 0.00 H new ATOM 253 N ASN A 18 6.070 -2.558 -10.855 1.00 0.00 N ATOM 254 CA ASN A 18 5.829 -3.785 -10.081 1.00 0.00 C ATOM 255 C ASN A 18 4.342 -4.201 -10.088 1.00 0.00 C ATOM 256 O ASN A 18 4.029 -5.375 -9.879 1.00 0.00 O ATOM 257 CB ASN A 18 6.323 -3.587 -8.635 1.00 0.00 C ATOM 258 CG ASN A 18 7.815 -3.307 -8.510 1.00 0.00 C ATOM 259 OD1 ASN A 18 8.631 -3.686 -9.339 1.00 0.00 O ATOM 260 ND2 ASN A 18 8.226 -2.668 -7.439 1.00 0.00 N ATOM 0 H ASN A 18 6.283 -1.744 -10.278 1.00 0.00 H new ATOM 0 HA ASN A 18 6.386 -4.593 -10.556 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.772 -2.760 -8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.084 -4.480 -8.057 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.221 -2.490 -7.302 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.550 -2.350 -6.744 1.00 0.00 H new ATOM 267 N TYR A 19 3.432 -3.249 -10.324 1.00 0.00 N ATOM 268 CA TYR A 19 1.979 -3.430 -10.182 1.00 0.00 C ATOM 269 C TYR A 19 1.219 -3.630 -11.503 1.00 0.00 C ATOM 270 O TYR A 19 0.139 -4.224 -11.504 1.00 0.00 O ATOM 271 CB TYR A 19 1.421 -2.219 -9.427 1.00 0.00 C ATOM 272 CG TYR A 19 2.061 -1.991 -8.071 1.00 0.00 C ATOM 273 CD1 TYR A 19 1.915 -2.958 -7.056 1.00 0.00 C ATOM 274 CD2 TYR A 19 2.791 -0.814 -7.821 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.502 -2.747 -5.796 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.360 -0.585 -6.553 1.00 0.00 C ATOM 277 CZ TYR A 19 3.225 -1.562 -5.540 1.00 0.00 C ATOM 278 OH TYR A 19 3.764 -1.373 -4.307 1.00 0.00 O ATOM 0 H TYR A 19 3.689 -2.309 -10.626 1.00 0.00 H new ATOM 0 HA TYR A 19 1.826 -4.359 -9.633 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.560 -1.327 -10.038 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.347 -2.350 -9.293 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.353 -3.860 -7.246 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.916 -0.082 -8.606 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.399 -3.493 -5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.896 0.331 -6.356 1.00 0.00 H new ATOM 0 HH TYR A 19 4.456 -0.681 -4.355 1.00 0.00 H new ATOM 288 N CYS A 20 1.760 -3.150 -12.627 1.00 0.00 N ATOM 289 CA CYS A 20 1.072 -3.169 -13.925 1.00 0.00 C ATOM 290 C CYS A 20 0.986 -4.556 -14.589 1.00 0.00 C ATOM 291 O CYS A 20 0.068 -4.818 -15.368 1.00 0.00 O ATOM 292 CB CYS A 20 1.783 -2.179 -14.846 1.00 0.00 C ATOM 293 SG CYS A 20 3.430 -2.700 -15.386 1.00 0.00 S ATOM 0 H CYS A 20 2.691 -2.735 -12.664 1.00 0.00 H new ATOM 0 HA CYS A 20 0.035 -2.886 -13.747 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.162 -2.012 -15.726 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.870 -1.222 -14.331 1.00 0.00 H new ATOM 298 N ASN A 21 1.946 -5.436 -14.283 1.00 0.00 N ATOM 299 CA ASN A 21 2.130 -6.764 -14.884 1.00 0.00 C ATOM 300 C ASN A 21 2.121 -6.724 -16.427 1.00 0.00 C ATOM 301 O ASN A 21 3.143 -6.391 -17.044 1.00 0.00 O ATOM 302 CB ASN A 21 1.104 -7.746 -14.280 1.00 0.00 C ATOM 303 CG ASN A 21 1.308 -9.196 -14.702 1.00 0.00 C ATOM 304 OD1 ASN A 21 2.224 -9.553 -15.430 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.453 -10.086 -14.253 1.00 0.00 N ATOM 0 H ASN A 21 2.651 -5.232 -13.575 1.00 0.00 H new ATOM 0 HA ASN A 21 3.126 -7.131 -14.635 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.155 -7.685 -13.193 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.102 -7.432 -14.571 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.555 -11.067 -14.512 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.313 -9.796 -13.646 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 7.906 11.650 -16.868 1.00 0.00 N ATOM 314 CA PHE B 1 7.378 11.392 -15.528 1.00 0.00 C ATOM 315 C PHE B 1 7.930 12.385 -14.485 1.00 0.00 C ATOM 316 O PHE B 1 9.080 12.826 -14.581 1.00 0.00 O ATOM 317 CB PHE B 1 7.699 9.943 -15.132 1.00 0.00 C ATOM 318 CG PHE B 1 6.991 9.450 -13.882 1.00 0.00 C ATOM 319 CD1 PHE B 1 7.576 9.620 -12.611 1.00 0.00 C ATOM 320 CD2 PHE B 1 5.752 8.791 -13.993 1.00 0.00 C ATOM 321 CE1 PHE B 1 6.924 9.136 -11.463 1.00 0.00 C ATOM 322 CE2 PHE B 1 5.107 8.299 -12.844 1.00 0.00 C ATOM 323 CZ PHE B 1 5.692 8.472 -11.578 1.00 0.00 C ATOM 0 H1 PHE B 1 8.239 10.759 -17.287 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.156 12.055 -17.465 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.698 12.321 -16.806 1.00 0.00 H new ATOM 0 HA PHE B 1 6.298 11.535 -15.549 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.437 9.288 -15.963 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.775 9.852 -14.982 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.527 10.123 -12.519 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.295 8.663 -14.963 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.372 9.275 -10.490 1.00 0.00 H new ATOM 0 HE2 PHE B 1 4.160 7.787 -12.935 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.195 8.095 -10.696 1.00 0.00 H new ATOM 333 N VAL B 2 7.125 12.701 -13.464 1.00 0.00 N ATOM 334 CA VAL B 2 7.510 13.506 -12.289 1.00 0.00 C ATOM 335 C VAL B 2 6.950 12.842 -11.027 1.00 0.00 C ATOM 336 O VAL B 2 5.754 12.540 -10.970 1.00 0.00 O ATOM 337 CB VAL B 2 7.006 14.964 -12.406 1.00 0.00 C ATOM 338 CG1 VAL B 2 7.471 15.817 -11.217 1.00 0.00 C ATOM 339 CG2 VAL B 2 7.506 15.657 -13.681 1.00 0.00 C ATOM 0 H VAL B 2 6.153 12.395 -13.428 1.00 0.00 H new ATOM 0 HA VAL B 2 8.598 13.548 -12.234 1.00 0.00 H new ATOM 0 HB VAL B 2 5.919 14.890 -12.428 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.099 16.835 -11.332 1.00 0.00 H new ATOM 0 HG12 VAL B 2 7.084 15.392 -10.291 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.560 15.831 -11.183 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.124 16.677 -13.714 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.596 15.678 -13.680 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.154 15.109 -14.555 1.00 0.00 H new ATOM 349 N ASN B 3 7.793 12.630 -10.011 1.00 0.00 N ATOM 350 CA ASN B 3 7.375 12.024 -8.740 1.00 0.00 C ATOM 351 C ASN B 3 6.284 12.850 -8.046 1.00 0.00 C ATOM 352 O ASN B 3 6.374 14.077 -7.954 1.00 0.00 O ATOM 353 CB ASN B 3 8.557 11.883 -7.772 1.00 0.00 C ATOM 354 CG ASN B 3 9.553 10.782 -8.111 1.00 0.00 C ATOM 355 OD1 ASN B 3 9.397 10.001 -9.038 1.00 0.00 O ATOM 356 ND2 ASN B 3 10.622 10.681 -7.355 1.00 0.00 N ATOM 0 H ASN B 3 8.783 12.873 -10.045 1.00 0.00 H new ATOM 0 HA ASN B 3 6.981 11.039 -8.990 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.090 12.833 -7.736 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.165 11.699 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.313 9.955 -7.544 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.761 11.328 -6.579 1.00 0.00 H new ATOM 363 N GLN B 4 5.278 12.154 -7.521 1.00 0.00 N ATOM 364 CA GLN B 4 4.141 12.726 -6.813 1.00 0.00 C ATOM 365 C GLN B 4 3.390 11.633 -6.037 1.00 0.00 C ATOM 366 O GLN B 4 3.542 10.434 -6.281 1.00 0.00 O ATOM 367 CB GLN B 4 3.221 13.463 -7.813 1.00 0.00 C ATOM 368 CG GLN B 4 2.593 12.564 -8.890 1.00 0.00 C ATOM 369 CD GLN B 4 2.157 13.366 -10.114 1.00 0.00 C ATOM 370 OE1 GLN B 4 1.035 13.848 -10.210 1.00 0.00 O ATOM 371 NE2 GLN B 4 3.025 13.553 -11.086 1.00 0.00 N ATOM 0 H GLN B 4 5.233 11.137 -7.581 1.00 0.00 H new ATOM 0 HA GLN B 4 4.493 13.455 -6.083 1.00 0.00 H new ATOM 0 HB2 GLN B 4 2.422 13.953 -7.257 1.00 0.00 H new ATOM 0 HB3 GLN B 4 3.796 14.248 -8.304 1.00 0.00 H new ATOM 0 HG2 GLN B 4 3.312 11.802 -9.192 1.00 0.00 H new ATOM 0 HG3 GLN B 4 1.732 12.042 -8.472 1.00 0.00 H new ATOM 0 HE21 GLN B 4 3.962 13.156 -11.016 1.00 0.00 H new ATOM 0 HE22 GLN B 4 2.760 14.095 -11.909 1.00 0.00 H new ATOM 380 N HIS B 5 2.555 12.075 -5.104 1.00 0.00 N ATOM 381 CA HIS B 5 1.596 11.257 -4.346 1.00 0.00 C ATOM 382 C HIS B 5 0.408 10.804 -5.230 1.00 0.00 C ATOM 383 O HIS B 5 -0.705 11.330 -5.132 1.00 0.00 O ATOM 384 CB HIS B 5 1.104 12.031 -3.112 1.00 0.00 C ATOM 385 CG HIS B 5 2.162 12.492 -2.137 1.00 0.00 C ATOM 386 ND1 HIS B 5 2.282 12.061 -0.812 1.00 0.00 N ATOM 387 CD2 HIS B 5 3.066 13.495 -2.352 1.00 0.00 C ATOM 388 CE1 HIS B 5 3.252 12.810 -0.263 1.00 0.00 C ATOM 389 NE2 HIS B 5 3.737 13.682 -1.163 1.00 0.00 N ATOM 0 H HIS B 5 2.521 13.059 -4.838 1.00 0.00 H new ATOM 0 HA HIS B 5 2.108 10.354 -4.012 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.553 12.906 -3.456 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.396 11.400 -2.574 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.223 14.035 -3.274 1.00 0.00 H new ATOM 0 HE1 HIS B 5 3.594 12.724 0.758 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.475 14.365 -0.995 1.00 0.00 H new ATOM 397 N LEU B 6 0.655 9.864 -6.145 1.00 0.00 N ATOM 398 CA LEU B 6 -0.338 9.342 -7.096 1.00 0.00 C ATOM 399 C LEU B 6 -1.465 8.565 -6.397 1.00 0.00 C ATOM 400 O LEU B 6 -1.210 7.657 -5.608 1.00 0.00 O ATOM 401 CB LEU B 6 0.355 8.431 -8.126 1.00 0.00 C ATOM 402 CG LEU B 6 1.240 9.169 -9.136 1.00 0.00 C ATOM 403 CD1 LEU B 6 2.109 8.164 -9.882 1.00 0.00 C ATOM 404 CD2 LEU B 6 0.416 9.947 -10.165 1.00 0.00 C ATOM 0 H LEU B 6 1.573 9.432 -6.250 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.791 10.199 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.965 7.701 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.408 7.874 -8.670 1.00 0.00 H new ATOM 0 HG LEU B 6 1.850 9.876 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.738 8.690 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.739 7.629 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.473 7.453 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.086 10.454 -10.860 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -0.224 9.257 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.202 10.685 -9.653 1.00 0.00 H new ATOM 416 N CYS B 7 -2.719 8.871 -6.735 1.00 0.00 N ATOM 417 CA CYS B 7 -3.883 8.156 -6.192 1.00 0.00 C ATOM 418 C CYS B 7 -5.090 8.158 -7.150 1.00 0.00 C ATOM 419 O CYS B 7 -5.154 8.967 -8.079 1.00 0.00 O ATOM 420 CB CYS B 7 -4.241 8.743 -4.819 1.00 0.00 C ATOM 421 SG CYS B 7 -5.050 7.553 -3.717 1.00 0.00 S ATOM 0 H CYS B 7 -2.959 9.616 -7.389 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.612 7.107 -6.075 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.333 9.110 -4.341 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.897 9.602 -4.959 1.00 0.00 H new ATOM 426 N GLY B 8 -6.049 7.249 -6.940 1.00 0.00 N ATOM 427 CA GLY B 8 -7.277 7.147 -7.739 1.00 0.00 C ATOM 428 C GLY B 8 -7.007 6.936 -9.234 1.00 0.00 C ATOM 429 O GLY B 8 -6.126 6.165 -9.618 1.00 0.00 O ATOM 0 H GLY B 8 -5.993 6.552 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -7.879 6.319 -7.364 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.866 8.055 -7.607 1.00 0.00 H new ATOM 433 N SER B 9 -7.739 7.654 -10.088 1.00 0.00 N ATOM 434 CA SER B 9 -7.584 7.594 -11.551 1.00 0.00 C ATOM 435 C SER B 9 -6.161 7.940 -12.013 1.00 0.00 C ATOM 436 O SER B 9 -5.643 7.289 -12.919 1.00 0.00 O ATOM 437 CB SER B 9 -8.575 8.547 -12.232 1.00 0.00 C ATOM 438 OG SER B 9 -9.905 8.258 -11.824 1.00 0.00 O ATOM 0 H SER B 9 -8.466 8.302 -9.784 1.00 0.00 H new ATOM 0 HA SER B 9 -7.788 6.563 -11.840 1.00 0.00 H new ATOM 0 HB2 SER B 9 -8.328 9.578 -11.981 1.00 0.00 H new ATOM 0 HB3 SER B 9 -8.492 8.454 -13.315 1.00 0.00 H new ATOM 0 HG SER B 9 -10.524 8.876 -12.266 1.00 0.00 H new ATOM 444 N HIS B 10 -5.487 8.894 -11.356 1.00 0.00 N ATOM 445 CA HIS B 10 -4.106 9.286 -11.679 1.00 0.00 C ATOM 446 C HIS B 10 -3.111 8.140 -11.470 1.00 0.00 C ATOM 447 O HIS B 10 -2.200 7.963 -12.276 1.00 0.00 O ATOM 448 CB HIS B 10 -3.703 10.504 -10.830 1.00 0.00 C ATOM 449 CG HIS B 10 -4.580 11.719 -11.028 1.00 0.00 C ATOM 450 ND1 HIS B 10 -5.125 12.499 -10.002 1.00 0.00 N ATOM 451 CD2 HIS B 10 -4.981 12.231 -12.228 1.00 0.00 C ATOM 452 CE1 HIS B 10 -5.841 13.462 -10.609 1.00 0.00 C ATOM 453 NE2 HIS B 10 -5.772 13.324 -11.944 1.00 0.00 N ATOM 0 H HIS B 10 -5.887 9.420 -10.579 1.00 0.00 H new ATOM 0 HA HIS B 10 -4.074 9.546 -12.737 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -3.726 10.222 -9.777 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -2.673 10.772 -11.066 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -4.728 11.854 -13.208 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -6.393 14.236 -10.097 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -6.227 13.926 -12.630 1.00 0.00 H new ATOM 461 N LEU B 11 -3.309 7.325 -10.428 1.00 0.00 N ATOM 462 CA LEU B 11 -2.485 6.148 -10.138 1.00 0.00 C ATOM 463 C LEU B 11 -2.671 5.040 -11.187 1.00 0.00 C ATOM 464 O LEU B 11 -1.689 4.456 -11.649 1.00 0.00 O ATOM 465 CB LEU B 11 -2.841 5.675 -8.717 1.00 0.00 C ATOM 466 CG LEU B 11 -2.035 4.495 -8.158 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.548 4.830 -8.115 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.524 4.196 -6.739 1.00 0.00 C ATOM 0 H LEU B 11 -4.059 7.468 -9.752 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.428 6.408 -10.187 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.722 6.519 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.896 5.402 -8.704 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.177 3.628 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.005 3.980 -7.716 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.196 5.051 -9.122 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.389 5.699 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.960 3.359 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.378 5.075 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.583 3.941 -6.765 1.00 0.00 H new ATOM 480 N VAL B 12 -3.917 4.793 -11.605 1.00 0.00 N ATOM 481 CA VAL B 12 -4.250 3.816 -12.657 1.00 0.00 C ATOM 482 C VAL B 12 -3.701 4.263 -14.016 1.00 0.00 C ATOM 483 O VAL B 12 -3.086 3.465 -14.723 1.00 0.00 O ATOM 484 CB VAL B 12 -5.771 3.572 -12.723 1.00 0.00 C ATOM 485 CG1 VAL B 12 -6.153 2.578 -13.828 1.00 0.00 C ATOM 486 CG2 VAL B 12 -6.292 2.998 -11.398 1.00 0.00 C ATOM 0 H VAL B 12 -4.734 5.269 -11.221 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.772 2.870 -12.401 1.00 0.00 H new ATOM 0 HB VAL B 12 -6.219 4.543 -12.932 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -7.234 2.439 -13.835 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.831 2.967 -14.794 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.665 1.621 -13.641 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.367 2.835 -11.470 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.794 2.051 -11.191 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.085 3.701 -10.591 1.00 0.00 H new ATOM 496 N GLU B 13 -3.845 5.544 -14.370 1.00 0.00 N ATOM 497 CA GLU B 13 -3.294 6.102 -15.612 1.00 0.00 C ATOM 498 C GLU B 13 -1.758 6.064 -15.630 1.00 0.00 C ATOM 499 O GLU B 13 -1.172 5.687 -16.641 1.00 0.00 O ATOM 500 CB GLU B 13 -3.795 7.539 -15.825 1.00 0.00 C ATOM 501 CG GLU B 13 -5.262 7.583 -16.273 1.00 0.00 C ATOM 502 CD GLU B 13 -5.732 9.035 -16.483 1.00 0.00 C ATOM 503 OE1 GLU B 13 -6.206 9.678 -15.515 1.00 0.00 O ATOM 504 OE2 GLU B 13 -5.638 9.546 -17.627 1.00 0.00 O1- ATOM 0 H GLU B 13 -4.348 6.226 -13.803 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.646 5.476 -16.432 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.683 8.102 -14.898 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.174 8.031 -16.573 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.380 7.021 -17.200 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.889 7.099 -15.525 1.00 0.00 H new ATOM 511 N ALA B 14 -1.089 6.386 -14.518 1.00 0.00 N ATOM 512 CA ALA B 14 0.372 6.417 -14.454 1.00 0.00 C ATOM 513 C ALA B 14 1.023 5.034 -14.661 1.00 0.00 C ATOM 514 O ALA B 14 2.059 4.940 -15.324 1.00 0.00 O ATOM 515 CB ALA B 14 0.780 7.038 -13.115 1.00 0.00 C ATOM 0 H ALA B 14 -1.546 6.632 -13.640 1.00 0.00 H new ATOM 0 HA ALA B 14 0.740 7.025 -15.280 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.867 7.071 -13.046 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.381 8.050 -13.047 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.383 6.435 -12.298 1.00 0.00 H new ATOM 521 N LEU B 15 0.411 3.952 -14.158 1.00 0.00 N ATOM 522 CA LEU B 15 0.943 2.592 -14.327 1.00 0.00 C ATOM 523 C LEU B 15 0.593 1.998 -15.700 1.00 0.00 C ATOM 524 O LEU B 15 1.384 1.260 -16.288 1.00 0.00 O ATOM 525 CB LEU B 15 0.570 1.708 -13.121 1.00 0.00 C ATOM 526 CG LEU B 15 -0.908 1.298 -12.970 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.271 0.059 -13.792 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.204 0.960 -11.509 1.00 0.00 C ATOM 0 H LEU B 15 -0.459 3.994 -13.627 1.00 0.00 H new ATOM 0 HA LEU B 15 2.032 2.638 -14.332 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.168 0.798 -13.173 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.868 2.234 -12.214 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.494 2.146 -13.326 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.324 -0.180 -13.644 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.089 0.257 -14.848 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.659 -0.784 -13.470 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.250 0.671 -11.407 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.567 0.135 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.007 1.833 -10.886 1.00 0.00 H new ATOM 540 N TYR B 16 -0.558 2.387 -16.253 1.00 0.00 N ATOM 541 CA TYR B 16 -0.956 2.106 -17.633 1.00 0.00 C ATOM 542 C TYR B 16 0.001 2.782 -18.636 1.00 0.00 C ATOM 543 O TYR B 16 0.405 2.162 -19.622 1.00 0.00 O ATOM 544 CB TYR B 16 -2.416 2.566 -17.775 1.00 0.00 C ATOM 545 CG TYR B 16 -2.920 2.839 -19.175 1.00 0.00 C ATOM 546 CD1 TYR B 16 -2.733 4.120 -19.724 1.00 0.00 C ATOM 547 CD2 TYR B 16 -3.638 1.860 -19.887 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.249 4.425 -20.997 1.00 0.00 C ATOM 549 CE2 TYR B 16 -4.184 2.169 -21.149 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.991 3.454 -21.704 1.00 0.00 C ATOM 551 OH TYR B 16 -4.519 3.766 -22.920 1.00 0.00 O ATOM 0 H TYR B 16 -1.258 2.921 -15.738 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.890 1.042 -17.862 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.055 1.805 -17.328 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.543 3.475 -17.187 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.192 4.871 -19.167 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.770 0.874 -19.467 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.078 5.399 -21.432 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.749 1.425 -21.691 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.000 2.990 -23.277 1.00 0.00 H new ATOM 561 N LEU B 17 0.436 4.015 -18.347 1.00 0.00 N ATOM 562 CA LEU B 17 1.378 4.778 -19.172 1.00 0.00 C ATOM 563 C LEU B 17 2.808 4.232 -19.102 1.00 0.00 C ATOM 564 O LEU B 17 3.434 4.037 -20.145 1.00 0.00 O ATOM 565 CB LEU B 17 1.380 6.249 -18.723 1.00 0.00 C ATOM 566 CG LEU B 17 0.194 7.093 -19.230 1.00 0.00 C ATOM 567 CD1 LEU B 17 0.187 8.448 -18.522 1.00 0.00 C ATOM 568 CD2 LEU B 17 0.265 7.346 -20.740 1.00 0.00 C ATOM 0 H LEU B 17 0.135 4.520 -17.514 1.00 0.00 H new ATOM 0 HA LEU B 17 1.043 4.686 -20.205 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.387 6.279 -17.633 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.306 6.714 -19.061 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.714 6.529 -19.014 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -0.652 9.043 -18.882 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.089 8.296 -17.447 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.119 8.973 -18.731 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.592 7.945 -21.049 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.185 7.880 -20.977 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.252 6.393 -21.270 1.00 0.00 H new ATOM 580 N VAL B 18 3.335 3.980 -17.894 1.00 0.00 N ATOM 581 CA VAL B 18 4.740 3.564 -17.723 1.00 0.00 C ATOM 582 C VAL B 18 5.010 2.186 -18.336 1.00 0.00 C ATOM 583 O VAL B 18 6.094 1.958 -18.877 1.00 0.00 O ATOM 584 CB VAL B 18 5.177 3.637 -16.245 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.673 2.476 -15.387 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.701 3.670 -16.117 1.00 0.00 C ATOM 0 H VAL B 18 2.812 4.056 -17.021 1.00 0.00 H new ATOM 0 HA VAL B 18 5.355 4.275 -18.274 1.00 0.00 H new ATOM 0 HB VAL B 18 4.727 4.559 -15.877 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.023 2.602 -14.363 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.583 2.461 -15.399 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.053 1.536 -15.787 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.977 3.721 -15.064 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.123 2.767 -16.559 1.00 0.00 H new ATOM 0 HG23 VAL B 18 7.091 4.545 -16.637 1.00 0.00 H new ATOM 596 N CYS B 19 4.020 1.285 -18.315 1.00 0.00 N ATOM 597 CA CYS B 19 4.156 -0.058 -18.859 1.00 0.00 C ATOM 598 C CYS B 19 3.694 -0.173 -20.321 1.00 0.00 C ATOM 599 O CYS B 19 4.207 -1.018 -21.057 1.00 0.00 O ATOM 600 CB CYS B 19 3.415 -0.997 -17.913 1.00 0.00 C ATOM 601 SG CYS B 19 4.180 -1.043 -16.270 1.00 0.00 S ATOM 0 H CYS B 19 3.100 1.475 -17.917 1.00 0.00 H new ATOM 0 HA CYS B 19 5.209 -0.336 -18.911 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.377 -0.676 -17.822 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.402 -2.002 -18.335 1.00 0.00 H new ATOM 606 N GLY B 20 2.758 0.679 -20.759 1.00 0.00 N ATOM 607 CA GLY B 20 2.320 0.787 -22.157 1.00 0.00 C ATOM 608 C GLY B 20 1.709 -0.496 -22.732 1.00 0.00 C ATOM 609 O GLY B 20 1.769 -0.706 -23.941 1.00 0.00 O ATOM 0 H GLY B 20 2.273 1.327 -20.138 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.587 1.590 -22.234 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.173 1.075 -22.771 1.00 0.00 H new ATOM 613 N GLU B 21 1.162 -1.374 -21.883 1.00 0.00 N ATOM 614 CA GLU B 21 0.885 -2.791 -22.206 1.00 0.00 C ATOM 615 C GLU B 21 0.032 -3.016 -23.472 1.00 0.00 C ATOM 616 O GLU B 21 0.220 -3.997 -24.195 1.00 0.00 O ATOM 617 CB GLU B 21 0.234 -3.449 -20.973 1.00 0.00 C ATOM 618 CG GLU B 21 0.116 -4.977 -21.080 1.00 0.00 C ATOM 619 CD GLU B 21 -0.520 -5.583 -19.813 1.00 0.00 C ATOM 620 OE1 GLU B 21 -1.767 -5.516 -19.666 1.00 0.00 O ATOM 621 OE2 GLU B 21 0.213 -6.148 -18.966 1.00 0.00 O1- ATOM 0 H GLU B 21 0.892 -1.121 -20.932 1.00 0.00 H new ATOM 0 HA GLU B 21 1.840 -3.258 -22.446 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.819 -3.200 -20.088 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.760 -3.026 -20.828 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.486 -5.237 -21.951 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.104 -5.410 -21.235 1.00 0.00 H new ATOM 628 N ARG B 22 -0.862 -2.070 -23.777 1.00 0.00 N ATOM 629 CA ARG B 22 -1.761 -2.074 -24.949 1.00 0.00 C ATOM 630 C ARG B 22 -1.116 -1.661 -26.286 1.00 0.00 C ATOM 631 O ARG B 22 -1.791 -1.670 -27.314 1.00 0.00 O ATOM 632 CB ARG B 22 -3.043 -1.275 -24.629 1.00 0.00 C ATOM 633 CG ARG B 22 -2.876 0.178 -24.170 1.00 0.00 C ATOM 634 CD ARG B 22 -2.214 1.118 -25.181 1.00 0.00 C ATOM 635 NE ARG B 22 -2.451 2.504 -24.760 1.00 0.00 N ATOM 636 CZ ARG B 22 -2.003 3.617 -25.308 1.00 0.00 C ATOM 637 NH1 ARG B 22 -1.177 3.616 -26.317 1.00 0.00 N ATOM 638 NH2 ARG B 22 -2.398 4.763 -24.839 1.00 0.00 N1+ ATOM 0 H ARG B 22 -0.989 -1.243 -23.193 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.022 -3.118 -25.125 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -3.671 -1.276 -25.520 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -3.589 -1.812 -23.853 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -3.859 0.577 -23.920 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -2.286 0.185 -23.253 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.144 0.918 -25.238 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -2.623 0.950 -26.177 1.00 0.00 H new ATOM 0 HE ARG B 22 -3.039 2.622 -23.935 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.854 2.732 -26.711 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.854 4.499 -26.712 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.049 4.796 -24.054 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.057 5.629 -25.256 1.00 0.00 H new ATOM 652 N GLY B 23 0.164 -1.281 -26.296 1.00 0.00 N ATOM 653 CA GLY B 23 0.867 -0.696 -27.453 1.00 0.00 C ATOM 654 C GLY B 23 1.351 -1.675 -28.533 1.00 0.00 C ATOM 655 O GLY B 23 2.227 -1.335 -29.330 1.00 0.00 O ATOM 0 H GLY B 23 0.763 -1.373 -25.476 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.203 0.029 -27.924 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.731 -0.144 -27.083 1.00 0.00 H new HETATM 659 N DHI B 24 0.800 -2.889 -28.563 1.00 0.00 N HETATM 660 CA DHI B 24 1.065 -3.920 -29.582 1.00 0.00 C HETATM 661 C DHI B 24 2.335 -4.755 -29.338 1.00 0.00 C HETATM 662 O DHI B 24 2.894 -5.302 -30.290 1.00 0.00 O HETATM 663 CB DHI B 24 -0.162 -4.827 -29.736 1.00 0.00 C HETATM 664 CG DHI B 24 -0.821 -5.205 -28.436 1.00 0.00 C HETATM 665 ND1 DHI B 24 -0.217 -5.834 -27.347 1.00 0.00 N HETATM 666 CD2 DHI B 24 -2.093 -4.861 -28.104 1.00 0.00 C HETATM 667 CE1 DHI B 24 -1.162 -5.885 -26.389 1.00 0.00 C HETATM 668 NE2 DHI B 24 -2.300 -5.311 -26.819 1.00 0.00 N HETATM 0 HE2 DHI B 24 -3.165 -5.224 -26.286 1.00 0.00 H new HETATM 0 HE1 DHI B 24 -1.024 -6.329 -25.403 1.00 0.00 H new HETATM 0 HD2 DHI B 24 -2.810 -4.332 -28.732 1.00 0.00 H new HETATM 0 HD1 DHI B 24 0.740 -6.182 -27.289 1.00 0.00 H new HETATM 0 HB3 DHI B 24 -0.894 -4.324 -30.368 1.00 0.00 H new HETATM 0 HB2 DHI B 24 0.137 -5.737 -30.256 1.00 0.00 H new HETATM 0 HA DHI B 24 1.257 -3.382 -30.510 1.00 0.00 H new ATOM 676 N PHE B 25 2.803 -4.865 -28.088 1.00 0.00 N ATOM 677 CA PHE B 25 4.010 -5.637 -27.728 1.00 0.00 C ATOM 678 C PHE B 25 3.809 -7.153 -27.666 1.00 0.00 C ATOM 679 O PHE B 25 4.762 -7.937 -27.646 1.00 0.00 O ATOM 680 CB PHE B 25 4.595 -5.120 -26.411 1.00 0.00 C ATOM 681 CG PHE B 25 4.921 -3.646 -26.431 1.00 0.00 C ATOM 682 CD1 PHE B 25 6.190 -3.207 -26.853 1.00 0.00 C ATOM 683 CD2 PHE B 25 3.939 -2.713 -26.056 1.00 0.00 C ATOM 684 CE1 PHE B 25 6.482 -1.833 -26.887 1.00 0.00 C ATOM 685 CE2 PHE B 25 4.238 -1.339 -26.081 1.00 0.00 C ATOM 686 CZ PHE B 25 5.507 -0.898 -26.496 1.00 0.00 C ATOM 0 H PHE B 25 2.354 -4.419 -27.288 1.00 0.00 H new ATOM 0 HA PHE B 25 4.714 -5.475 -28.545 1.00 0.00 H new ATOM 0 HB2 PHE B 25 3.886 -5.316 -25.607 1.00 0.00 H new ATOM 0 HB3 PHE B 25 5.501 -5.681 -26.181 1.00 0.00 H new ATOM 0 HD1 PHE B 25 6.939 -3.926 -27.151 1.00 0.00 H new ATOM 0 HD2 PHE B 25 2.959 -3.050 -25.750 1.00 0.00 H new ATOM 0 HE1 PHE B 25 7.455 -1.495 -27.213 1.00 0.00 H new ATOM 0 HE2 PHE B 25 3.490 -0.620 -25.780 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.733 0.158 -26.514 1.00 0.00 H new ATOM 696 N TYR B 26 2.544 -7.533 -27.657 1.00 0.00 N ATOM 697 CA TYR B 26 2.041 -8.909 -27.551 1.00 0.00 C ATOM 698 C TYR B 26 1.295 -9.360 -28.817 1.00 0.00 C ATOM 699 O TYR B 26 0.482 -8.621 -29.378 1.00 0.00 O ATOM 700 CB TYR B 26 1.169 -9.058 -26.295 1.00 0.00 C ATOM 701 CG TYR B 26 1.879 -8.677 -25.008 1.00 0.00 C ATOM 702 CD1 TYR B 26 1.879 -7.336 -24.574 1.00 0.00 C ATOM 703 CD2 TYR B 26 2.577 -9.652 -24.270 1.00 0.00 C ATOM 704 CE1 TYR B 26 2.586 -6.967 -23.416 1.00 0.00 C ATOM 705 CE2 TYR B 26 3.277 -9.289 -23.102 1.00 0.00 C ATOM 706 CZ TYR B 26 3.287 -7.942 -22.674 1.00 0.00 C ATOM 707 OH TYR B 26 3.973 -7.575 -21.556 1.00 0.00 O ATOM 0 H TYR B 26 1.786 -6.854 -27.727 1.00 0.00 H new ATOM 0 HA TYR B 26 2.902 -9.571 -27.456 1.00 0.00 H new ATOM 0 HB2 TYR B 26 0.280 -8.438 -26.406 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.830 -10.091 -26.220 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.334 -6.589 -25.133 1.00 0.00 H new ATOM 0 HD2 TYR B 26 2.576 -10.680 -24.600 1.00 0.00 H new ATOM 0 HE1 TYR B 26 2.593 -5.936 -23.094 1.00 0.00 H new ATOM 0 HE2 TYR B 26 3.806 -10.040 -22.534 1.00 0.00 H new ATOM 0 HH TYR B 26 4.400 -8.364 -21.160 1.00 0.00 H new ATOM 717 N THR B 27 1.550 -10.603 -29.248 1.00 0.00 N ATOM 718 CA THR B 27 0.902 -11.255 -30.402 1.00 0.00 C ATOM 719 C THR B 27 0.569 -12.716 -30.054 1.00 0.00 C ATOM 720 O THR B 27 1.492 -13.527 -29.923 1.00 0.00 O ATOM 721 CB THR B 27 1.803 -11.208 -31.654 1.00 0.00 C ATOM 722 OG1 THR B 27 2.161 -9.877 -31.977 1.00 0.00 O ATOM 723 CG2 THR B 27 1.104 -11.771 -32.895 1.00 0.00 C ATOM 0 H THR B 27 2.235 -11.205 -28.790 1.00 0.00 H new ATOM 0 HA THR B 27 -0.016 -10.712 -30.626 1.00 0.00 H new ATOM 0 HB THR B 27 2.676 -11.809 -31.402 1.00 0.00 H new ATOM 0 HG1 THR B 27 2.733 -9.876 -32.773 1.00 0.00 H new ATOM 0 HG21 THR B 27 1.779 -11.716 -33.749 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.828 -12.810 -32.717 1.00 0.00 H new ATOM 0 HG23 THR B 27 0.207 -11.188 -33.103 1.00 0.00 H new ATOM 731 N PRO B 28 -0.719 -13.083 -29.894 1.00 0.00 N ATOM 732 CA PRO B 28 -1.142 -14.469 -29.678 1.00 0.00 C ATOM 733 C PRO B 28 -0.791 -15.404 -30.851 1.00 0.00 C ATOM 734 O PRO B 28 -0.841 -14.991 -32.015 1.00 0.00 O ATOM 735 CB PRO B 28 -2.656 -14.411 -29.440 1.00 0.00 C ATOM 736 CG PRO B 28 -2.875 -12.995 -28.908 1.00 0.00 C ATOM 737 CD PRO B 28 -1.846 -12.183 -29.691 1.00 0.00 C ATOM 0 HA PRO B 28 -0.611 -14.895 -28.827 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -3.215 -14.586 -30.359 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -2.979 -15.165 -28.722 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.891 -12.646 -29.091 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -2.706 -12.935 -27.833 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.255 -11.844 -30.643 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -1.544 -11.293 -29.138 1.00 0.00 H new ATOM 745 N LYS B 29 -0.503 -16.677 -30.527 1.00 0.00 N ATOM 746 CA LYS B 29 -0.039 -17.767 -31.420 1.00 0.00 C ATOM 747 C LYS B 29 1.326 -17.513 -32.102 1.00 0.00 C ATOM 748 O LYS B 29 1.709 -16.376 -32.390 1.00 0.00 O ATOM 749 CB LYS B 29 -1.173 -18.155 -32.400 1.00 0.00 C ATOM 750 CG LYS B 29 -0.966 -19.433 -33.234 1.00 0.00 C ATOM 751 CD LYS B 29 -0.890 -20.721 -32.393 1.00 0.00 C ATOM 752 CE LYS B 29 -0.644 -21.970 -33.253 1.00 0.00 C ATOM 753 NZ LYS B 29 -1.809 -22.313 -34.114 1.00 0.00 N1+ ATOM 0 H LYS B 29 -0.593 -17.000 -29.564 1.00 0.00 H new ATOM 0 HA LYS B 29 0.178 -18.631 -30.791 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -2.093 -18.270 -31.826 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -1.327 -17.323 -33.087 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -1.784 -19.525 -33.949 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -0.047 -19.333 -33.812 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -0.090 -20.625 -31.659 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -1.819 -20.844 -31.837 1.00 0.00 H new ATOM 0 HE2 LYS B 29 0.231 -21.807 -33.881 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -0.417 -22.815 -32.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -1.590 -23.162 -34.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -2.640 -22.497 -33.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -2.012 -21.520 -34.755 1.00 0.00 H new ATOM 767 N THR B 30 2.062 -18.599 -32.362 1.00 0.00 N ATOM 768 CA THR B 30 3.398 -18.628 -33.001 1.00 0.00 C ATOM 769 C THR B 30 3.482 -19.758 -34.030 1.00 0.00 C ATOM 770 O THR B 30 3.847 -19.477 -35.195 1.00 0.00 O ATOM 771 CB THR B 30 4.511 -18.789 -31.954 1.00 0.00 C ATOM 772 OG1 THR B 30 4.368 -17.817 -30.936 1.00 0.00 O ATOM 773 CG2 THR B 30 5.912 -18.626 -32.549 1.00 0.00 C ATOM 774 OXT THR B 30 3.150 -20.914 -33.683 1.00 0.00 O1- ATOM 0 H THR B 30 1.732 -19.534 -32.123 1.00 0.00 H new ATOM 0 HA THR B 30 3.540 -17.675 -33.511 1.00 0.00 H new ATOM 0 HB THR B 30 4.410 -19.800 -31.559 1.00 0.00 H new ATOM 0 HG1 THR B 30 5.081 -17.930 -30.274 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.658 -18.750 -31.764 1.00 0.00 H new ATOM 0 HG22 THR B 30 6.069 -19.379 -33.321 1.00 0.00 H new ATOM 0 HG23 THR B 30 6.008 -17.632 -32.987 1.00 0.00 H new TER 782 THR B 30