USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 307 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 Single : A 1 CYS N :NH3+ -176:sc= 0.664 (180deg=0.6) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -170:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 78:sc= 0.943 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -16.051 -0.374 6.610 1.00 0.00 N ATOM 2 CA CYS A 1 -14.905 -0.577 5.667 1.00 0.00 C ATOM 3 C CYS A 1 -15.387 -1.195 4.343 1.00 0.00 C ATOM 4 O CYS A 1 -16.577 -1.323 4.113 1.00 0.00 O ATOM 5 CB CYS A 1 -13.925 -1.510 6.391 1.00 0.00 C ATOM 6 SG CYS A 1 -12.269 -0.781 6.378 1.00 0.00 S ATOM 0 H1 CYS A 1 -15.713 0.106 7.469 1.00 0.00 H new ATOM 0 H2 CYS A 1 -16.779 0.210 6.151 1.00 0.00 H new ATOM 0 H3 CYS A 1 -16.458 -1.296 6.866 1.00 0.00 H new ATOM 0 HA CYS A 1 -14.429 0.369 5.407 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -14.253 -1.673 7.418 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -13.908 -2.485 5.903 1.00 0.00 H new ATOM 0 HG CYS A 1 -11.442 -1.572 6.994 1.00 0.00 H new ATOM 14 N ALA A 2 -14.476 -1.578 3.477 1.00 0.00 N ATOM 15 CA ALA A 2 -14.858 -2.192 2.165 1.00 0.00 C ATOM 16 C ALA A 2 -14.411 -3.664 2.094 1.00 0.00 C ATOM 17 O ALA A 2 -13.900 -4.127 1.092 1.00 0.00 O ATOM 18 CB ALA A 2 -14.177 -1.323 1.103 1.00 0.00 C ATOM 0 H ALA A 2 -13.471 -1.489 3.627 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.938 -2.215 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.410 -1.711 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.538 -0.298 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.098 -1.341 1.255 1.00 0.00 H new ATOM 24 N VAL A 3 -14.613 -4.405 3.157 1.00 0.00 N ATOM 25 CA VAL A 3 -14.233 -5.855 3.205 1.00 0.00 C ATOM 26 C VAL A 3 -15.479 -6.675 3.580 1.00 0.00 C ATOM 27 O VAL A 3 -15.777 -7.674 2.950 1.00 0.00 O ATOM 28 CB VAL A 3 -13.065 -5.999 4.204 1.00 0.00 C ATOM 29 CG1 VAL A 3 -13.392 -5.465 5.604 1.00 0.00 C ATOM 30 CG2 VAL A 3 -12.669 -7.473 4.320 1.00 0.00 C ATOM 0 H VAL A 3 -15.037 -4.056 4.017 1.00 0.00 H new ATOM 0 HA VAL A 3 -13.889 -6.236 2.243 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.245 -5.398 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.528 -5.597 6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -13.639 -4.405 5.541 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -14.241 -6.012 6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.844 -7.574 5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.522 -8.052 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.358 -7.844 3.343 1.00 0.00 H new ATOM 40 N GLU A 4 -16.199 -6.238 4.587 1.00 0.00 N ATOM 41 CA GLU A 4 -17.446 -6.917 5.059 1.00 0.00 C ATOM 42 C GLU A 4 -18.525 -6.828 3.964 1.00 0.00 C ATOM 43 O GLU A 4 -18.324 -6.157 2.967 1.00 0.00 O ATOM 44 CB GLU A 4 -17.871 -6.161 6.333 1.00 0.00 C ATOM 45 CG GLU A 4 -18.224 -4.690 6.038 1.00 0.00 C ATOM 46 CD GLU A 4 -17.099 -3.739 6.464 1.00 0.00 C ATOM 47 OE1 GLU A 4 -16.038 -3.786 5.868 1.00 0.00 O ATOM 48 OE2 GLU A 4 -17.312 -2.964 7.380 1.00 0.00 O ATOM 0 H GLU A 4 -15.961 -5.403 5.122 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.295 -7.976 5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -18.732 -6.658 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.064 -6.201 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.418 -4.569 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.142 -4.424 6.561 1.00 0.00 H new ATOM 55 N LEU A 5 -19.647 -7.496 4.149 1.00 0.00 N ATOM 56 CA LEU A 5 -20.793 -7.509 3.171 1.00 0.00 C ATOM 57 C LEU A 5 -20.363 -7.656 1.694 1.00 0.00 C ATOM 58 O LEU A 5 -21.044 -7.171 0.809 1.00 0.00 O ATOM 59 CB LEU A 5 -21.610 -6.229 3.449 1.00 0.00 C ATOM 60 CG LEU A 5 -21.001 -4.961 2.822 1.00 0.00 C ATOM 61 CD1 LEU A 5 -21.966 -4.343 1.809 1.00 0.00 C ATOM 62 CD2 LEU A 5 -20.709 -3.926 3.913 1.00 0.00 C ATOM 0 H LEU A 5 -19.821 -8.060 4.981 1.00 0.00 H new ATOM 0 HA LEU A 5 -21.404 -8.399 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -22.622 -6.363 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -21.693 -6.088 4.527 1.00 0.00 H new ATOM 0 HG LEU A 5 -20.077 -5.244 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -21.517 -3.448 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -22.173 -5.063 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -22.897 -4.076 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -20.279 -3.032 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -21.636 -3.664 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -20.005 -4.344 4.632 1.00 0.00 H new ATOM 74 N ARG A 6 -19.252 -8.321 1.431 1.00 0.00 N ATOM 75 CA ARG A 6 -18.714 -8.543 0.051 1.00 0.00 C ATOM 76 C ARG A 6 -18.736 -7.233 -0.759 1.00 0.00 C ATOM 77 O ARG A 6 -19.367 -7.139 -1.797 1.00 0.00 O ATOM 78 CB ARG A 6 -19.595 -9.657 -0.531 1.00 0.00 C ATOM 79 CG ARG A 6 -19.058 -10.126 -1.890 1.00 0.00 C ATOM 80 CD ARG A 6 -20.063 -11.071 -2.557 1.00 0.00 C ATOM 81 NE ARG A 6 -19.386 -12.400 -2.629 1.00 0.00 N ATOM 82 CZ ARG A 6 -19.028 -12.898 -3.784 1.00 0.00 C ATOM 83 NH1 ARG A 6 -19.933 -13.426 -4.571 1.00 0.00 N ATOM 84 NH2 ARG A 6 -17.770 -12.865 -4.145 1.00 0.00 N ATOM 0 H ARG A 6 -18.673 -8.737 2.161 1.00 0.00 H new ATOM 0 HA ARG A 6 -17.667 -8.845 0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -19.629 -10.498 0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -20.617 -9.296 -0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.874 -9.266 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.103 -10.634 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -20.985 -11.133 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.333 -10.716 -3.551 1.00 0.00 H new ATOM 0 HE ARG A 6 -19.202 -12.922 -1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -20.911 -13.447 -4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.660 -13.816 -5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.072 -12.452 -3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.487 -13.253 -5.045 1.00 0.00 H new ATOM 98 N SER A 7 -18.043 -6.226 -0.276 1.00 0.00 N ATOM 99 CA SER A 7 -17.995 -4.909 -0.981 1.00 0.00 C ATOM 100 C SER A 7 -16.541 -4.423 -1.099 1.00 0.00 C ATOM 101 O SER A 7 -16.154 -3.485 -0.428 1.00 0.00 O ATOM 102 CB SER A 7 -18.860 -3.977 -0.124 1.00 0.00 C ATOM 103 OG SER A 7 -19.945 -3.501 -0.909 1.00 0.00 O ATOM 0 H SER A 7 -17.503 -6.265 0.588 1.00 0.00 H new ATOM 0 HA SER A 7 -18.370 -4.955 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.233 -4.509 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.264 -3.141 0.241 1.00 0.00 H new ATOM 0 HG SER A 7 -20.411 -2.787 -0.425 1.00 0.00 H new ATOM 109 N PRO A 8 -15.774 -5.070 -1.951 1.00 0.00 N ATOM 110 CA PRO A 8 -14.342 -4.689 -2.153 1.00 0.00 C ATOM 111 C PRO A 8 -14.204 -3.303 -2.810 1.00 0.00 C ATOM 112 O PRO A 8 -13.449 -2.475 -2.329 1.00 0.00 O ATOM 113 CB PRO A 8 -13.793 -5.827 -3.018 1.00 0.00 C ATOM 114 CG PRO A 8 -14.975 -6.392 -3.727 1.00 0.00 C ATOM 115 CD PRO A 8 -16.148 -6.211 -2.810 1.00 0.00 C ATOM 0 HA PRO A 8 -13.787 -4.582 -1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.050 -5.459 -3.725 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.303 -6.584 -2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.141 -5.879 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.822 -7.446 -3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.061 -6.004 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.332 -7.109 -2.220 1.00 0.00 H new ATOM 123 N GLY A 9 -14.922 -3.054 -3.884 1.00 0.00 N ATOM 124 CA GLY A 9 -14.875 -1.741 -4.604 1.00 0.00 C ATOM 125 C GLY A 9 -13.445 -1.328 -4.979 1.00 0.00 C ATOM 126 O GLY A 9 -12.693 -2.112 -5.529 1.00 0.00 O ATOM 0 H GLY A 9 -15.559 -3.732 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.481 -1.804 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -15.320 -0.969 -3.976 1.00 0.00 H new ATOM 130 N ILE A 10 -13.089 -0.101 -4.680 1.00 0.00 N ATOM 131 CA ILE A 10 -11.730 0.441 -4.988 1.00 0.00 C ATOM 132 C ILE A 10 -10.784 0.324 -3.779 1.00 0.00 C ATOM 133 O ILE A 10 -9.594 0.191 -3.969 1.00 0.00 O ATOM 134 CB ILE A 10 -12.005 1.894 -5.415 1.00 0.00 C ATOM 135 CG1 ILE A 10 -10.866 2.420 -6.299 1.00 0.00 C ATOM 136 CG2 ILE A 10 -12.245 2.833 -4.224 1.00 0.00 C ATOM 137 CD1 ILE A 10 -9.608 2.775 -5.496 1.00 0.00 C ATOM 0 H ILE A 10 -13.707 0.567 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.211 -0.113 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.930 1.882 -5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.615 1.667 -7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.209 3.303 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.433 3.843 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.108 2.486 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.365 2.838 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.836 3.141 -6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.848 3.549 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.245 1.888 -4.978 1.00 0.00 H new ATOM 149 N SER A 11 -11.287 0.372 -2.565 1.00 0.00 N ATOM 150 CA SER A 11 -10.429 0.265 -1.333 1.00 0.00 C ATOM 151 C SER A 11 -9.482 -0.940 -1.392 1.00 0.00 C ATOM 152 O SER A 11 -8.310 -0.808 -1.086 1.00 0.00 O ATOM 153 CB SER A 11 -11.404 0.113 -0.165 1.00 0.00 C ATOM 154 OG SER A 11 -11.938 1.387 0.171 1.00 0.00 O ATOM 0 H SER A 11 -12.282 0.484 -2.371 1.00 0.00 H new ATOM 0 HA SER A 11 -9.792 1.144 -1.232 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.208 -0.571 -0.435 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.893 -0.319 0.696 1.00 0.00 H new ATOM 0 HG SER A 11 -12.565 1.292 0.918 1.00 0.00 H new ATOM 160 N ARG A 12 -9.986 -2.090 -1.788 1.00 0.00 N ATOM 161 CA ARG A 12 -9.148 -3.332 -1.894 1.00 0.00 C ATOM 162 C ARG A 12 -7.980 -3.116 -2.875 1.00 0.00 C ATOM 163 O ARG A 12 -6.914 -3.671 -2.698 1.00 0.00 O ATOM 164 CB ARG A 12 -10.088 -4.449 -2.375 1.00 0.00 C ATOM 165 CG ARG A 12 -10.742 -4.094 -3.719 1.00 0.00 C ATOM 166 CD ARG A 12 -10.065 -4.871 -4.852 1.00 0.00 C ATOM 167 NE ARG A 12 -10.412 -4.126 -6.095 1.00 0.00 N ATOM 168 CZ ARG A 12 -11.101 -4.706 -7.039 1.00 0.00 C ATOM 169 NH1 ARG A 12 -10.568 -5.685 -7.726 1.00 0.00 N ATOM 170 NH2 ARG A 12 -12.320 -4.297 -7.282 1.00 0.00 N ATOM 0 H ARG A 12 -10.964 -2.221 -2.047 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.700 -3.594 -0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.528 -5.379 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.862 -4.622 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.806 -4.331 -3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.659 -3.023 -3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.985 -4.917 -4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.425 -5.899 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.110 -3.158 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.617 -5.992 -7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.104 -6.141 -8.465 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.720 -3.534 -6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.870 -4.741 -8.017 1.00 0.00 H new ATOM 184 N PHE A 13 -8.183 -2.308 -3.889 1.00 0.00 N ATOM 185 CA PHE A 13 -7.124 -2.006 -4.902 1.00 0.00 C ATOM 186 C PHE A 13 -6.317 -0.793 -4.397 1.00 0.00 C ATOM 187 O PHE A 13 -5.120 -0.726 -4.603 1.00 0.00 O ATOM 188 CB PHE A 13 -7.919 -1.771 -6.201 1.00 0.00 C ATOM 189 CG PHE A 13 -7.275 -0.779 -7.142 1.00 0.00 C ATOM 190 CD1 PHE A 13 -6.101 -1.100 -7.835 1.00 0.00 C ATOM 191 CD2 PHE A 13 -7.873 0.472 -7.320 1.00 0.00 C ATOM 192 CE1 PHE A 13 -5.527 -0.166 -8.705 1.00 0.00 C ATOM 193 CE2 PHE A 13 -7.299 1.407 -8.188 1.00 0.00 C ATOM 194 CZ PHE A 13 -6.126 1.087 -8.880 1.00 0.00 C ATOM 0 H PHE A 13 -9.068 -1.831 -4.060 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.383 -2.787 -5.073 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.040 -2.723 -6.719 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.918 -1.418 -5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.639 -2.067 -7.698 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -8.780 0.717 -6.787 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.622 -0.412 -9.241 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.761 2.374 -8.324 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.682 1.808 -9.550 1.00 0.00 H new ATOM 204 N ARG A 14 -6.971 0.142 -3.735 1.00 0.00 N ATOM 205 CA ARG A 14 -6.312 1.367 -3.177 1.00 0.00 C ATOM 206 C ARG A 14 -5.171 0.955 -2.234 1.00 0.00 C ATOM 207 O ARG A 14 -4.079 1.486 -2.330 1.00 0.00 O ATOM 208 CB ARG A 14 -7.423 2.102 -2.415 1.00 0.00 C ATOM 209 CG ARG A 14 -6.991 3.522 -2.043 1.00 0.00 C ATOM 210 CD ARG A 14 -7.910 4.063 -0.942 1.00 0.00 C ATOM 211 NE ARG A 14 -7.004 4.491 0.164 1.00 0.00 N ATOM 212 CZ ARG A 14 -7.004 3.867 1.314 1.00 0.00 C ATOM 213 NH1 ARG A 14 -8.048 3.956 2.100 1.00 0.00 N ATOM 214 NH2 ARG A 14 -5.957 3.167 1.669 1.00 0.00 N ATOM 0 H ARG A 14 -7.974 0.099 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.872 2.000 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.323 2.142 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.676 1.547 -1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.956 3.521 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.036 4.169 -2.919 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.507 4.900 -1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.608 3.297 -0.603 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.376 5.282 0.021 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.856 4.510 1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.053 3.472 2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.148 3.110 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.950 2.678 2.564 1.00 0.00 H new ATOM 228 N ARG A 15 -5.416 0.017 -1.342 1.00 0.00 N ATOM 229 CA ARG A 15 -4.347 -0.441 -0.395 1.00 0.00 C ATOM 230 C ARG A 15 -3.190 -1.083 -1.180 1.00 0.00 C ATOM 231 O ARG A 15 -2.043 -0.918 -0.802 1.00 0.00 O ATOM 232 CB ARG A 15 -4.996 -1.446 0.565 1.00 0.00 C ATOM 233 CG ARG A 15 -4.178 -1.542 1.860 1.00 0.00 C ATOM 234 CD ARG A 15 -4.429 -0.324 2.758 1.00 0.00 C ATOM 235 NE ARG A 15 -3.257 -0.252 3.684 1.00 0.00 N ATOM 236 CZ ARG A 15 -3.425 -0.362 4.978 1.00 0.00 C ATOM 237 NH1 ARG A 15 -3.728 0.698 5.685 1.00 0.00 N ATOM 238 NH2 ARG A 15 -3.289 -1.530 5.555 1.00 0.00 N ATOM 0 H ARG A 15 -6.315 -0.451 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.929 0.394 0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.016 -1.137 0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.058 -2.426 0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.443 -2.454 2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.117 -1.610 1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.516 0.587 2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.360 -0.433 3.314 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.320 -0.116 3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.832 1.604 5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.860 0.618 6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.053 -2.350 4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.419 -1.619 6.563 1.00 0.00 H new ATOM 252 N LYS A 16 -3.473 -1.792 -2.255 1.00 0.00 N ATOM 253 CA LYS A 16 -2.374 -2.423 -3.059 1.00 0.00 C ATOM 254 C LYS A 16 -1.496 -1.308 -3.647 1.00 0.00 C ATOM 255 O LYS A 16 -0.286 -1.438 -3.675 1.00 0.00 O ATOM 256 CB LYS A 16 -3.031 -3.256 -4.170 1.00 0.00 C ATOM 257 CG LYS A 16 -2.283 -4.582 -4.372 1.00 0.00 C ATOM 258 CD LYS A 16 -0.822 -4.335 -4.778 1.00 0.00 C ATOM 259 CE LYS A 16 -0.420 -5.237 -5.953 1.00 0.00 C ATOM 260 NZ LYS A 16 -0.480 -4.381 -7.178 1.00 0.00 N ATOM 0 H LYS A 16 -4.416 -1.959 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.744 -3.070 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.072 -3.456 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.035 -2.690 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.315 -5.165 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.783 -5.172 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.689 -3.289 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.167 -4.525 -3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.582 -5.640 -5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.096 -6.088 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.215 -4.946 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.447 -4.017 -7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.180 -3.583 -7.077 1.00 0.00 H new ATOM 274 N ILE A 17 -2.095 -0.224 -4.095 1.00 0.00 N ATOM 275 CA ILE A 17 -1.315 0.921 -4.669 1.00 0.00 C ATOM 276 C ILE A 17 -0.385 1.445 -3.560 1.00 0.00 C ATOM 277 O ILE A 17 0.776 1.717 -3.807 1.00 0.00 O ATOM 278 CB ILE A 17 -2.346 1.983 -5.097 1.00 0.00 C ATOM 279 CG1 ILE A 17 -3.265 1.432 -6.195 1.00 0.00 C ATOM 280 CG2 ILE A 17 -1.648 3.234 -5.641 1.00 0.00 C ATOM 281 CD1 ILE A 17 -4.640 2.098 -6.100 1.00 0.00 C ATOM 0 H ILE A 17 -3.105 -0.085 -4.086 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.705 0.644 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.931 2.241 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.827 1.618 -7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.366 0.352 -6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.397 3.969 -5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.008 3.659 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.042 2.965 -6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.290 1.704 -6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.079 1.890 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.532 3.175 -6.227 1.00 0.00 H new ATOM 293 N ALA A 18 -0.895 1.568 -2.350 1.00 0.00 N ATOM 294 CA ALA A 18 -0.060 2.057 -1.204 1.00 0.00 C ATOM 295 C ALA A 18 1.059 1.041 -0.928 1.00 0.00 C ATOM 296 O ALA A 18 2.177 1.432 -0.654 1.00 0.00 O ATOM 297 CB ALA A 18 -1.002 2.201 -0.001 1.00 0.00 C ATOM 0 H ALA A 18 -1.861 1.348 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 18 0.414 3.015 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.439 2.556 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.790 2.916 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.448 1.234 0.230 1.00 0.00 H new ATOM 303 N LYS A 19 0.766 -0.241 -1.012 1.00 0.00 N ATOM 304 CA LYS A 19 1.803 -1.298 -0.775 1.00 0.00 C ATOM 305 C LYS A 19 2.955 -1.122 -1.781 1.00 0.00 C ATOM 306 O LYS A 19 4.099 -1.367 -1.447 1.00 0.00 O ATOM 307 CB LYS A 19 1.106 -2.645 -1.011 1.00 0.00 C ATOM 308 CG LYS A 19 0.894 -3.374 0.317 1.00 0.00 C ATOM 309 CD LYS A 19 2.141 -4.194 0.666 1.00 0.00 C ATOM 310 CE LYS A 19 2.823 -3.608 1.910 1.00 0.00 C ATOM 311 NZ LYS A 19 2.102 -4.166 3.094 1.00 0.00 N ATOM 0 H LYS A 19 -0.161 -0.601 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 19 2.217 -1.237 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.146 -2.484 -1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.707 -3.261 -1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.688 -2.654 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.025 -4.028 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.864 -5.232 0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.835 -4.192 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.879 -3.878 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.772 -2.519 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.530 -3.796 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.101 -3.887 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.173 -5.204 3.086 1.00 0.00 H new ATOM 325 N ARG A 20 2.637 -0.698 -2.986 1.00 0.00 N ATOM 326 CA ARG A 20 3.664 -0.482 -4.054 1.00 0.00 C ATOM 327 C ARG A 20 4.485 0.787 -3.769 1.00 0.00 C ATOM 328 O ARG A 20 5.690 0.770 -3.949 1.00 0.00 O ATOM 329 CB ARG A 20 2.869 -0.348 -5.361 1.00 0.00 C ATOM 330 CG ARG A 20 3.813 -0.307 -6.568 1.00 0.00 C ATOM 331 CD ARG A 20 2.999 -0.068 -7.845 1.00 0.00 C ATOM 332 NE ARG A 20 3.763 0.939 -8.642 1.00 0.00 N ATOM 333 CZ ARG A 20 3.485 2.214 -8.546 1.00 0.00 C ATOM 334 NH1 ARG A 20 2.396 2.690 -9.102 1.00 0.00 N ATOM 335 NH2 ARG A 20 4.299 3.006 -7.894 1.00 0.00 N ATOM 0 H ARG A 20 1.682 -0.488 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 20 4.380 -1.303 -4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.180 -1.186 -5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.266 0.559 -5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.550 0.486 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.363 -1.245 -6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.873 -0.994 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.001 0.299 -7.608 1.00 0.00 H new ATOM 0 HE ARG A 20 4.508 0.630 -9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.767 2.066 -9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.178 3.684 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.144 2.628 -7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.088 4.001 -7.815 1.00 0.00 H new ATOM 349 N SER A 21 3.865 1.867 -3.335 1.00 0.00 N ATOM 350 CA SER A 21 4.641 3.121 -3.047 1.00 0.00 C ATOM 351 C SER A 21 5.636 2.885 -1.901 1.00 0.00 C ATOM 352 O SER A 21 6.763 3.338 -1.972 1.00 0.00 O ATOM 353 CB SER A 21 3.631 4.213 -2.675 1.00 0.00 C ATOM 354 OG SER A 21 3.914 5.380 -3.441 1.00 0.00 O ATOM 0 H SER A 21 2.861 1.932 -3.169 1.00 0.00 H new ATOM 0 HA SER A 21 5.219 3.423 -3.920 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.615 3.870 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.692 4.437 -1.610 1.00 0.00 H new ATOM 0 HG SER A 21 3.273 6.085 -3.212 1.00 0.00 H new ATOM 360 N ILE A 22 5.227 2.179 -0.868 1.00 0.00 N ATOM 361 CA ILE A 22 6.139 1.894 0.290 1.00 0.00 C ATOM 362 C ILE A 22 7.332 1.064 -0.215 1.00 0.00 C ATOM 363 O ILE A 22 8.467 1.353 0.118 1.00 0.00 O ATOM 364 CB ILE A 22 5.312 1.101 1.318 1.00 0.00 C ATOM 365 CG1 ILE A 22 4.188 1.970 1.896 1.00 0.00 C ATOM 366 CG2 ILE A 22 6.202 0.628 2.474 1.00 0.00 C ATOM 367 CD1 ILE A 22 3.077 1.070 2.442 1.00 0.00 C ATOM 0 H ILE A 22 4.291 1.785 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 22 6.528 2.805 0.745 1.00 0.00 H new ATOM 0 HB ILE A 22 4.884 0.241 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.578 2.607 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.790 2.630 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.601 0.069 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.993 -0.014 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.646 1.492 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.278 1.687 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.681 0.452 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.480 0.429 3.226 1.00 0.00 H new ATOM 379 N LYS A 23 7.069 0.051 -1.012 1.00 0.00 N ATOM 380 CA LYS A 23 8.161 -0.816 -1.565 1.00 0.00 C ATOM 381 C LYS A 23 9.129 0.016 -2.420 1.00 0.00 C ATOM 382 O LYS A 23 10.325 -0.199 -2.361 1.00 0.00 O ATOM 383 CB LYS A 23 7.470 -1.900 -2.404 1.00 0.00 C ATOM 384 CG LYS A 23 7.005 -3.051 -1.504 1.00 0.00 C ATOM 385 CD LYS A 23 7.986 -4.223 -1.611 1.00 0.00 C ATOM 386 CE LYS A 23 7.627 -5.306 -0.586 1.00 0.00 C ATOM 387 NZ LYS A 23 8.542 -6.454 -0.858 1.00 0.00 N ATOM 0 H LYS A 23 6.129 -0.214 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 23 8.755 -1.264 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.617 -1.473 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.157 -2.276 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.940 -2.713 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.006 -3.373 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.958 -4.640 -2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.004 -3.872 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.756 -4.937 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.584 -5.607 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.342 -7.224 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.393 -6.794 -1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.529 -6.145 -0.747 1.00 0.00 H new ATOM 401 N THR A 24 8.626 0.953 -3.197 1.00 0.00 N ATOM 402 CA THR A 24 9.504 1.814 -4.055 1.00 0.00 C ATOM 403 C THR A 24 10.358 2.721 -3.155 1.00 0.00 C ATOM 404 O THR A 24 11.546 2.853 -3.374 1.00 0.00 O ATOM 405 CB THR A 24 8.576 2.654 -4.949 1.00 0.00 C ATOM 406 OG1 THR A 24 7.692 1.804 -5.671 1.00 0.00 O ATOM 407 CG2 THR A 24 9.392 3.472 -5.954 1.00 0.00 C ATOM 0 H THR A 24 7.630 1.158 -3.272 1.00 0.00 H new ATOM 0 HA THR A 24 10.178 1.216 -4.669 1.00 0.00 H new ATOM 0 HB THR A 24 8.008 3.326 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.971 1.504 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.718 4.060 -6.577 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.065 4.140 -5.418 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.974 2.799 -6.583 1.00 0.00 H new ATOM 415 N LEU A 25 9.756 3.329 -2.155 1.00 0.00 N ATOM 416 CA LEU A 25 10.497 4.230 -1.213 1.00 0.00 C ATOM 417 C LEU A 25 11.669 3.491 -0.544 1.00 0.00 C ATOM 418 O LEU A 25 12.685 4.096 -0.252 1.00 0.00 O ATOM 419 CB LEU A 25 9.465 4.664 -0.165 1.00 0.00 C ATOM 420 CG LEU A 25 9.895 5.990 0.469 1.00 0.00 C ATOM 421 CD1 LEU A 25 9.307 7.166 -0.316 1.00 0.00 C ATOM 422 CD2 LEU A 25 9.406 6.052 1.919 1.00 0.00 C ATOM 0 H LEU A 25 8.761 3.235 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 25 10.930 5.083 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.485 4.774 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.369 3.897 0.604 1.00 0.00 H new ATOM 0 HG LEU A 25 10.983 6.053 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.620 8.103 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.663 7.131 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.219 7.102 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.714 6.997 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.319 5.978 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.837 5.225 2.484 1.00 0.00 H new ATOM 434 N GLU A 26 11.530 2.204 -0.307 1.00 0.00 N ATOM 435 CA GLU A 26 12.626 1.415 0.338 1.00 0.00 C ATOM 436 C GLU A 26 13.811 1.204 -0.615 1.00 0.00 C ATOM 437 O GLU A 26 14.931 1.099 -0.152 1.00 0.00 O ATOM 438 CB GLU A 26 12.020 0.065 0.743 1.00 0.00 C ATOM 439 CG GLU A 26 11.711 0.048 2.245 1.00 0.00 C ATOM 440 CD GLU A 26 13.005 0.139 3.064 1.00 0.00 C ATOM 441 OE1 GLU A 26 13.795 -0.792 3.020 1.00 0.00 O ATOM 442 OE2 GLU A 26 13.183 1.149 3.725 1.00 0.00 O ATOM 0 H GLU A 26 10.695 1.665 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 26 13.016 1.953 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.107 -0.116 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.713 -0.740 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.056 0.882 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.176 -0.866 2.501 1.00 0.00 H new ATOM 449 N HIS A 27 13.598 1.139 -1.914 1.00 0.00 N ATOM 450 CA HIS A 27 14.748 0.933 -2.853 1.00 0.00 C ATOM 451 C HIS A 27 14.906 2.097 -3.847 1.00 0.00 C ATOM 452 O HIS A 27 15.245 1.898 -5.000 1.00 0.00 O ATOM 453 CB HIS A 27 14.474 -0.413 -3.540 1.00 0.00 C ATOM 454 CG HIS A 27 15.263 -1.482 -2.832 1.00 0.00 C ATOM 455 ND1 HIS A 27 16.372 -2.094 -3.400 1.00 0.00 N ATOM 456 CD2 HIS A 27 15.115 -2.057 -1.592 1.00 0.00 C ATOM 457 CE1 HIS A 27 16.840 -2.988 -2.512 1.00 0.00 C ATOM 458 NE2 HIS A 27 16.113 -3.007 -1.393 1.00 0.00 N ATOM 0 H HIS A 27 12.684 1.219 -2.359 1.00 0.00 H new ATOM 0 HA HIS A 27 15.701 0.913 -2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.409 -0.645 -3.508 1.00 0.00 H new ATOM 0 HB3 HIS A 27 14.758 -0.366 -4.591 1.00 0.00 H new ATOM 0 HD2 HIS A 27 14.342 -1.809 -0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 27 17.702 -3.616 -2.684 1.00 0.00 H new ATOM 0 HE2 HIS A 27 16.257 -3.591 -0.570 1.00 0.00 H new ATOM 466 N LYS A 28 14.674 3.310 -3.401 1.00 0.00 N ATOM 467 CA LYS A 28 14.814 4.508 -4.287 1.00 0.00 C ATOM 468 C LYS A 28 16.044 5.291 -3.816 1.00 0.00 C ATOM 469 O LYS A 28 16.991 5.465 -4.560 1.00 0.00 O ATOM 470 CB LYS A 28 13.521 5.322 -4.124 1.00 0.00 C ATOM 471 CG LYS A 28 12.543 4.991 -5.256 1.00 0.00 C ATOM 472 CD LYS A 28 13.011 5.630 -6.568 1.00 0.00 C ATOM 473 CE LYS A 28 11.822 5.809 -7.518 1.00 0.00 C ATOM 474 NZ LYS A 28 12.397 6.312 -8.801 1.00 0.00 N ATOM 0 H LYS A 28 14.389 3.522 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 28 14.952 4.257 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.062 5.101 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.750 6.388 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.468 3.910 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.547 5.353 -5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.474 6.596 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.770 5.004 -7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.297 4.866 -7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.099 6.515 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.633 6.454 -9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.884 7.215 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.075 5.617 -9.173 1.00 0.00 H new ATOM 488 N ARG A 29 16.027 5.744 -2.583 1.00 0.00 N ATOM 489 CA ARG A 29 17.181 6.511 -2.021 1.00 0.00 C ATOM 490 C ARG A 29 18.383 5.581 -1.762 1.00 0.00 C ATOM 491 O ARG A 29 19.509 6.036 -1.818 1.00 0.00 O ATOM 492 CB ARG A 29 16.675 7.174 -0.729 1.00 0.00 C ATOM 493 CG ARG A 29 16.451 6.139 0.381 1.00 0.00 C ATOM 494 CD ARG A 29 15.500 6.693 1.448 1.00 0.00 C ATOM 495 NE ARG A 29 16.270 6.717 2.731 1.00 0.00 N ATOM 496 CZ ARG A 29 16.683 5.607 3.297 1.00 0.00 C ATOM 497 NH1 ARG A 29 15.816 4.707 3.689 1.00 0.00 N ATOM 498 NH2 ARG A 29 17.965 5.408 3.468 1.00 0.00 N ATOM 0 H ARG A 29 15.250 5.611 -1.935 1.00 0.00 H new ATOM 0 HA ARG A 29 17.536 7.268 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.397 7.919 -0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.743 7.702 -0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.037 5.225 -0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.405 5.875 0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.158 7.693 1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.613 6.067 1.540 1.00 0.00 H new ATOM 0 HE ARG A 29 16.478 7.612 3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.818 4.868 3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.139 3.845 4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 29 18.636 6.113 3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 29 18.293 4.548 3.907 1.00 0.00 H new ATOM 512 N GLU A 30 18.162 4.306 -1.489 1.00 0.00 N ATOM 513 CA GLU A 30 19.292 3.346 -1.230 1.00 0.00 C ATOM 514 C GLU A 30 20.220 3.254 -2.453 1.00 0.00 C ATOM 515 O GLU A 30 21.418 3.109 -2.297 1.00 0.00 O ATOM 516 CB GLU A 30 18.660 1.979 -0.917 1.00 0.00 C ATOM 517 CG GLU A 30 19.633 1.129 -0.085 1.00 0.00 C ATOM 518 CD GLU A 30 19.095 -0.295 0.120 1.00 0.00 C ATOM 519 OE1 GLU A 30 19.022 -1.030 -0.853 1.00 0.00 O ATOM 520 OE2 GLU A 30 18.769 -0.628 1.246 1.00 0.00 O ATOM 0 H GLU A 30 17.233 3.888 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 30 19.903 3.686 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.727 2.117 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.414 1.462 -1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.601 1.086 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.795 1.602 0.884 1.00 0.00 H new ATOM 527 N ASN A 31 19.686 3.344 -3.653 1.00 0.00 N ATOM 528 CA ASN A 31 20.522 3.271 -4.891 1.00 0.00 C ATOM 529 C ASN A 31 20.560 4.648 -5.564 1.00 0.00 C ATOM 530 O ASN A 31 21.631 5.173 -5.797 1.00 0.00 O ATOM 531 CB ASN A 31 19.861 2.236 -5.811 1.00 0.00 C ATOM 532 CG ASN A 31 20.737 0.984 -5.874 1.00 0.00 C ATOM 533 OD1 ASN A 31 21.631 0.897 -6.688 1.00 0.00 O ATOM 534 ND2 ASN A 31 20.518 0.001 -5.043 1.00 0.00 N ATOM 0 H ASN A 31 18.688 3.467 -3.825 1.00 0.00 H new ATOM 0 HA ASN A 31 21.549 2.981 -4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 31 18.869 1.981 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.729 2.652 -6.810 1.00 0.00 H new ATOM 0 HD21 ASN A 31 21.098 -0.837 -5.080 1.00 0.00 H new ATOM 0 HD22 ASN A 31 19.767 0.071 -4.357 1.00 0.00 H new ATOM 541 N ALA A 32 19.407 5.215 -5.863 1.00 0.00 N ATOM 542 CA ALA A 32 19.265 6.556 -6.520 1.00 0.00 C ATOM 543 C ALA A 32 19.742 6.528 -7.980 1.00 0.00 C ATOM 544 O ALA A 32 18.941 6.750 -8.870 1.00 0.00 O ATOM 545 CB ALA A 32 20.041 7.563 -5.659 1.00 0.00 C ATOM 0 H ALA A 32 18.511 4.771 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 32 18.217 6.851 -6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 32 19.964 8.556 -6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 32 19.621 7.581 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 32 21.089 7.268 -5.610 1.00 0.00 H new ATOM 551 N LYS A 33 21.003 6.262 -8.231 1.00 0.00 N ATOM 552 CA LYS A 33 21.529 6.214 -9.631 1.00 0.00 C ATOM 553 C LYS A 33 22.325 4.918 -9.840 1.00 0.00 C ATOM 554 O LYS A 33 23.143 4.557 -9.010 1.00 0.00 O ATOM 555 CB LYS A 33 22.437 7.439 -9.788 1.00 0.00 C ATOM 556 CG LYS A 33 21.601 8.724 -9.841 1.00 0.00 C ATOM 557 CD LYS A 33 22.357 9.807 -10.616 1.00 0.00 C ATOM 558 CE LYS A 33 21.849 11.198 -10.214 1.00 0.00 C ATOM 559 NZ LYS A 33 22.879 11.769 -9.295 1.00 0.00 N ATOM 0 H LYS A 33 21.700 6.073 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 33 20.726 6.228 -10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.138 7.488 -8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.029 7.346 -10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.642 8.525 -10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.387 9.071 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.425 9.730 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.223 9.658 -11.687 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.715 11.832 -11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.880 11.130 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.584 12.718 -8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.981 11.154 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.790 11.833 -9.792 1.00 0.00 H new ATOM 573 N GLU A 34 22.087 4.234 -10.932 1.00 0.00 N ATOM 574 CA GLU A 34 22.818 2.956 -11.227 1.00 0.00 C ATOM 575 C GLU A 34 24.179 3.228 -11.898 1.00 0.00 C ATOM 576 O GLU A 34 25.019 2.344 -11.854 1.00 0.00 O ATOM 577 CB GLU A 34 21.896 2.149 -12.153 1.00 0.00 C ATOM 578 CG GLU A 34 20.773 1.488 -11.342 1.00 0.00 C ATOM 579 CD GLU A 34 19.750 0.828 -12.274 1.00 0.00 C ATOM 580 OE1 GLU A 34 20.042 -0.238 -12.791 1.00 0.00 O ATOM 581 OE2 GLU A 34 18.684 1.396 -12.457 1.00 0.00 O ATOM 582 OXT GLU A 34 24.379 4.305 -12.448 1.00 0.00 O ATOM 0 H GLU A 34 21.409 4.508 -11.643 1.00 0.00 H new ATOM 0 HA GLU A 34 23.040 2.409 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.469 2.804 -12.912 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.472 1.387 -12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.194 0.741 -10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.278 2.234 -10.721 1.00 0.00 H new TER 589 GLU A 34