USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 278 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 161:sc= -1.17 USER MOD Single : A 12 GLN :FLIP amide:sc= -1.56 F(o=-2.7,f=-1.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 26:sc= 0.0494 USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 0.851 (180deg=0.77) USER MOD Single : A 29 ASN : amide:sc= -1.11 K(o=-1.1,f=-7.3!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.457 F(o=-1.4,f=-0.46) USER MOD Single : A 37 LYS NZ :NH3+ -151:sc= -0.375 (180deg=-1.61!) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 2.087 -6.538 -3.029 1.00 0.00 N ATOM 43 CA TYR A 5 2.927 -5.444 -2.564 1.00 0.00 C ATOM 44 C TYR A 5 4.062 -5.950 -1.685 1.00 0.00 C ATOM 45 O TYR A 5 5.155 -5.383 -1.677 1.00 0.00 O ATOM 46 CB TYR A 5 2.087 -4.431 -1.797 1.00 0.00 C ATOM 47 CG TYR A 5 0.821 -4.047 -2.518 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.396 -4.622 -2.180 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.843 -3.108 -3.537 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.556 -4.272 -2.840 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.307 -2.752 -4.200 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.507 -3.334 -3.851 1.00 0.00 C ATOM 53 OH TYR A 5 -2.660 -2.979 -4.513 1.00 0.00 O ATOM 0 HA TYR A 5 3.366 -4.963 -3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.831 -4.844 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.682 -3.536 -1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.436 -5.355 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.780 -2.648 -3.815 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.496 -4.729 -2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.271 -2.019 -4.992 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.452 -2.307 -5.195 1.00 0.00 H new ATOM 63 N SER A 6 3.798 -7.025 -0.949 1.00 0.00 N ATOM 64 CA SER A 6 4.798 -7.613 -0.067 1.00 0.00 C ATOM 65 C SER A 6 6.116 -7.836 -0.808 1.00 0.00 C ATOM 66 O SER A 6 7.185 -7.867 -0.199 1.00 0.00 O ATOM 67 CB SER A 6 4.277 -8.928 0.511 1.00 0.00 C ATOM 68 OG SER A 6 5.147 -9.428 1.512 1.00 0.00 O ATOM 0 H SER A 6 2.899 -7.506 -0.947 1.00 0.00 H new ATOM 0 HA SER A 6 4.988 -6.919 0.752 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.283 -8.775 0.932 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.175 -9.664 -0.287 1.00 0.00 H new ATOM 0 HG SER A 6 4.789 -10.269 1.866 1.00 0.00 H new ATOM 74 N SER A 7 6.031 -7.979 -2.129 1.00 0.00 N ATOM 75 CA SER A 7 7.214 -8.185 -2.957 1.00 0.00 C ATOM 76 C SER A 7 7.593 -6.897 -3.688 1.00 0.00 C ATOM 77 O SER A 7 8.747 -6.706 -4.072 1.00 0.00 O ATOM 78 CB SER A 7 6.966 -9.305 -3.970 1.00 0.00 C ATOM 79 OG SER A 7 6.682 -10.530 -3.316 1.00 0.00 O ATOM 0 H SER A 7 5.153 -7.956 -2.648 1.00 0.00 H new ATOM 0 HA SER A 7 8.039 -8.472 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.134 -9.034 -4.620 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.842 -9.424 -4.607 1.00 0.00 H new ATOM 0 HG SER A 7 6.526 -11.229 -3.985 1.00 0.00 H new ATOM 85 N LEU A 8 6.613 -6.013 -3.871 1.00 0.00 N ATOM 86 CA LEU A 8 6.839 -4.739 -4.549 1.00 0.00 C ATOM 87 C LEU A 8 7.891 -3.916 -3.807 1.00 0.00 C ATOM 88 O LEU A 8 8.638 -4.447 -2.985 1.00 0.00 O ATOM 89 CB LEU A 8 5.524 -3.958 -4.640 1.00 0.00 C ATOM 90 CG LEU A 8 4.933 -3.820 -6.046 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.746 -4.752 -6.214 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.514 -2.380 -6.311 1.00 0.00 C ATOM 0 H LEU A 8 5.653 -6.157 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 8 7.206 -4.938 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.787 -4.446 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.686 -2.960 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 8 5.700 -4.096 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.337 -4.642 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.068 -5.782 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.980 -4.501 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.096 -2.301 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.763 -2.079 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.383 -1.727 -6.227 1.00 0.00 H new ATOM 104 N THR A 9 7.942 -2.617 -4.092 1.00 0.00 N ATOM 105 CA THR A 9 8.898 -1.730 -3.440 1.00 0.00 C ATOM 106 C THR A 9 8.174 -0.722 -2.556 1.00 0.00 C ATOM 107 O THR A 9 6.986 -0.460 -2.738 1.00 0.00 O ATOM 108 CB THR A 9 9.763 -0.996 -4.472 1.00 0.00 C ATOM 109 OG1 THR A 9 10.191 0.259 -3.970 1.00 0.00 O ATOM 110 CG2 THR A 9 9.056 -0.744 -5.788 1.00 0.00 C ATOM 0 H THR A 9 7.333 -2.157 -4.769 1.00 0.00 H new ATOM 0 HA THR A 9 9.551 -2.342 -2.818 1.00 0.00 H new ATOM 0 HB THR A 9 10.608 -1.660 -4.656 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.964 0.571 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.729 -0.221 -6.468 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.760 -1.695 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.170 -0.134 -5.614 1.00 0.00 H new ATOM 118 N VAL A 10 8.900 -0.159 -1.602 1.00 0.00 N ATOM 119 CA VAL A 10 8.333 0.822 -0.688 1.00 0.00 C ATOM 120 C VAL A 10 7.901 2.077 -1.431 1.00 0.00 C ATOM 121 O VAL A 10 6.957 2.749 -1.029 1.00 0.00 O ATOM 122 CB VAL A 10 9.347 1.227 0.394 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.580 0.084 1.369 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.651 1.671 -0.254 1.00 0.00 C ATOM 0 H VAL A 10 9.886 -0.365 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 10 7.467 0.353 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 10 8.941 2.066 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.301 0.393 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.639 -0.181 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.968 -0.781 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.363 1.956 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.063 0.851 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.462 2.525 -0.905 1.00 0.00 H new ATOM 134 N VAL A 11 8.608 2.393 -2.512 1.00 0.00 N ATOM 135 CA VAL A 11 8.306 3.578 -3.304 1.00 0.00 C ATOM 136 C VAL A 11 7.007 3.412 -4.077 1.00 0.00 C ATOM 137 O VAL A 11 6.172 4.317 -4.118 1.00 0.00 O ATOM 138 CB VAL A 11 9.453 3.898 -4.289 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.793 3.779 -3.589 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.410 2.981 -5.505 1.00 0.00 C ATOM 0 H VAL A 11 9.394 1.844 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 11 8.196 4.408 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 11 9.322 4.923 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.593 4.007 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.832 4.481 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.918 2.763 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.229 3.231 -6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.509 1.944 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.461 3.110 -6.025 1.00 0.00 H new ATOM 150 N GLN A 12 6.842 2.248 -4.685 1.00 0.00 N ATOM 151 CA GLN A 12 5.645 1.962 -5.458 1.00 0.00 C ATOM 152 C GLN A 12 4.467 1.733 -4.532 1.00 0.00 C ATOM 153 O GLN A 12 3.337 2.105 -4.844 1.00 0.00 O ATOM 154 CB GLN A 12 5.857 0.735 -6.343 1.00 0.00 C ATOM 155 CG GLN A 12 6.894 0.944 -7.436 1.00 0.00 C ATOM 156 CD GLN A 12 7.133 -0.307 -8.257 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.397 -0.584 -8.562 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.194 -1.019 -8.615 1.00 0.00 N flip ATOM 0 H GLN A 12 7.521 1.487 -4.658 1.00 0.00 H new ATOM 0 HA GLN A 12 5.435 2.820 -6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.164 -0.104 -5.719 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.907 0.460 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.566 1.749 -8.094 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.833 1.263 -6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.239 -0.770 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.372 -1.858 -9.167 1.00 0.00 H new ATOM 167 N LEU A 13 4.744 1.117 -3.390 1.00 0.00 N ATOM 168 CA LEU A 13 3.712 0.832 -2.410 1.00 0.00 C ATOM 169 C LEU A 13 3.089 2.119 -1.883 1.00 0.00 C ATOM 170 O LEU A 13 1.877 2.307 -1.950 1.00 0.00 O ATOM 171 CB LEU A 13 4.287 0.010 -1.257 1.00 0.00 C ATOM 172 CG LEU A 13 3.902 -1.469 -1.267 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.940 -2.279 -2.022 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.748 -1.993 0.152 1.00 0.00 C ATOM 0 H LEU A 13 5.678 0.806 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 13 2.930 0.252 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.374 0.088 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.957 0.450 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 13 2.943 -1.572 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.652 -3.330 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.004 -1.921 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.911 -2.168 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.474 -3.048 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.691 -1.878 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.969 -1.430 0.665 1.00 0.00 H new ATOM 186 N LYS A 14 3.919 3.005 -1.356 1.00 0.00 N ATOM 187 CA LYS A 14 3.431 4.266 -0.821 1.00 0.00 C ATOM 188 C LYS A 14 2.938 5.185 -1.934 1.00 0.00 C ATOM 189 O LYS A 14 2.030 5.988 -1.726 1.00 0.00 O ATOM 190 CB LYS A 14 4.521 4.959 -0.009 1.00 0.00 C ATOM 191 CG LYS A 14 5.706 5.409 -0.844 1.00 0.00 C ATOM 192 CD LYS A 14 6.734 6.161 -0.008 1.00 0.00 C ATOM 193 CE LYS A 14 6.082 7.214 0.875 1.00 0.00 C ATOM 194 NZ LYS A 14 6.909 8.447 0.976 1.00 0.00 N ATOM 0 H LYS A 14 4.928 2.876 -1.287 1.00 0.00 H new ATOM 0 HA LYS A 14 2.588 4.046 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.092 5.825 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.871 4.280 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.177 4.541 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.358 6.050 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.284 5.455 0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.460 6.638 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.101 7.467 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.921 6.803 1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.428 9.138 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.836 8.211 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.041 8.855 0.029 1.00 0.00 H new ATOM 208 N ASP A 15 3.528 5.059 -3.121 1.00 0.00 N ATOM 209 CA ASP A 15 3.127 5.881 -4.256 1.00 0.00 C ATOM 210 C ASP A 15 1.690 5.563 -4.647 1.00 0.00 C ATOM 211 O ASP A 15 0.846 6.455 -4.761 1.00 0.00 O ATOM 212 CB ASP A 15 4.067 5.647 -5.442 1.00 0.00 C ATOM 213 CG ASP A 15 3.685 6.471 -6.657 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.256 7.631 -6.478 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.815 5.957 -7.788 1.00 0.00 O ATOM 0 H ASP A 15 4.280 4.399 -3.319 1.00 0.00 H new ATOM 0 HA ASP A 15 3.189 6.931 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.087 5.892 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.057 4.590 -5.706 1.00 0.00 H new ATOM 220 N LEU A 16 1.414 4.278 -4.824 1.00 0.00 N ATOM 221 CA LEU A 16 0.080 3.832 -5.172 1.00 0.00 C ATOM 222 C LEU A 16 -0.862 4.093 -4.006 1.00 0.00 C ATOM 223 O LEU A 16 -2.050 4.338 -4.195 1.00 0.00 O ATOM 224 CB LEU A 16 0.103 2.343 -5.567 1.00 0.00 C ATOM 225 CG LEU A 16 -0.422 1.341 -4.525 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.228 0.240 -5.194 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.729 0.743 -3.736 1.00 0.00 C ATOM 0 H LEU A 16 2.100 3.529 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.284 4.392 -6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.483 2.224 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.130 2.072 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.076 1.878 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.589 -0.457 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.077 0.678 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.597 -0.292 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.339 0.036 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.406 0.225 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.269 1.538 -3.222 1.00 0.00 H new ATOM 239 N LEU A 17 -0.313 4.028 -2.796 1.00 0.00 N ATOM 240 CA LEU A 17 -1.096 4.247 -1.590 1.00 0.00 C ATOM 241 C LEU A 17 -1.743 5.622 -1.592 1.00 0.00 C ATOM 242 O LEU A 17 -2.963 5.750 -1.481 1.00 0.00 O ATOM 243 CB LEU A 17 -0.194 4.135 -0.370 1.00 0.00 C ATOM 244 CG LEU A 17 -0.047 2.735 0.199 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.033 2.717 1.270 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.380 2.258 0.751 1.00 0.00 C ATOM 0 H LEU A 17 0.672 3.825 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.880 3.490 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.795 4.508 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.583 4.788 0.411 1.00 0.00 H new ATOM 0 HG LEU A 17 0.256 2.052 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.130 1.708 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.983 3.027 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.761 3.402 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.267 1.253 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.710 2.934 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.121 2.245 -0.048 1.00 0.00 H new ATOM 258 N THR A 18 -0.917 6.650 -1.730 1.00 0.00 N ATOM 259 CA THR A 18 -1.416 8.018 -1.755 1.00 0.00 C ATOM 260 C THR A 18 -2.262 8.224 -3.001 1.00 0.00 C ATOM 261 O THR A 18 -3.224 8.992 -2.992 1.00 0.00 O ATOM 262 CB THR A 18 -0.269 9.040 -1.699 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.597 10.212 -2.427 1.00 0.00 O ATOM 264 CG2 THR A 18 1.046 8.523 -2.241 1.00 0.00 C ATOM 0 H THR A 18 0.095 6.564 -1.826 1.00 0.00 H new ATOM 0 HA THR A 18 -2.031 8.179 -0.870 1.00 0.00 H new ATOM 0 HB THR A 18 -0.142 9.251 -0.637 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.147 10.848 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.803 9.304 -2.166 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.362 7.655 -1.663 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.922 8.237 -3.286 1.00 0.00 H new ATOM 272 N LYS A 19 -1.906 7.516 -4.068 1.00 0.00 N ATOM 273 CA LYS A 19 -2.647 7.608 -5.314 1.00 0.00 C ATOM 274 C LYS A 19 -3.978 6.852 -5.212 1.00 0.00 C ATOM 275 O LYS A 19 -4.866 7.030 -6.045 1.00 0.00 O ATOM 276 CB LYS A 19 -1.813 7.052 -6.471 1.00 0.00 C ATOM 277 CG LYS A 19 -1.263 8.129 -7.395 1.00 0.00 C ATOM 278 CD LYS A 19 0.241 7.994 -7.583 1.00 0.00 C ATOM 279 CE LYS A 19 0.585 7.370 -8.928 1.00 0.00 C ATOM 280 NZ LYS A 19 1.508 8.230 -9.720 1.00 0.00 N ATOM 0 H LYS A 19 -1.112 6.876 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.861 8.659 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.983 6.474 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.426 6.364 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.758 8.065 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.492 9.112 -6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.707 8.976 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.655 7.382 -6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.045 6.395 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.331 7.202 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.718 7.770 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.060 9.152 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.392 8.370 -9.191 1.00 0.00 H new ATOM 351 N SER A 23 -3.191 6.063 2.440 1.00 0.00 N ATOM 352 CA SER A 23 -2.042 6.778 2.967 1.00 0.00 C ATOM 353 C SER A 23 -0.820 5.881 3.027 1.00 0.00 C ATOM 354 O SER A 23 -0.855 4.725 2.606 1.00 0.00 O ATOM 355 CB SER A 23 -2.328 7.336 4.356 1.00 0.00 C ATOM 356 OG SER A 23 -3.425 8.233 4.335 1.00 0.00 O ATOM 0 HA SER A 23 -1.842 7.607 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.539 6.516 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.443 7.849 4.733 1.00 0.00 H new ATOM 0 HG SER A 23 -4.018 8.008 3.588 1.00 0.00 H new ATOM 362 N VAL A 24 0.265 6.433 3.548 1.00 0.00 N ATOM 363 CA VAL A 24 1.514 5.706 3.665 1.00 0.00 C ATOM 364 C VAL A 24 2.068 5.771 5.088 1.00 0.00 C ATOM 365 O VAL A 24 3.132 5.223 5.372 1.00 0.00 O ATOM 366 CB VAL A 24 2.555 6.265 2.679 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.915 6.492 1.319 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.156 7.558 3.214 1.00 0.00 C ATOM 0 H VAL A 24 0.302 7.390 3.898 1.00 0.00 H new ATOM 0 HA VAL A 24 1.310 4.663 3.424 1.00 0.00 H new ATOM 0 HB VAL A 24 3.359 5.538 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.659 6.888 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.530 5.547 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.096 7.204 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.890 7.939 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.366 8.297 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.642 7.365 4.170 1.00 0.00 H new ATOM 378 N GLY A 25 1.342 6.441 5.980 1.00 0.00 N ATOM 379 CA GLY A 25 1.783 6.552 7.359 1.00 0.00 C ATOM 380 C GLY A 25 1.706 5.225 8.089 1.00 0.00 C ATOM 381 O GLY A 25 0.962 5.081 9.059 1.00 0.00 O ATOM 0 H GLY A 25 0.459 6.907 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.809 6.920 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.168 7.287 7.878 1.00 0.00 H new ATOM 385 N GLY A 26 2.480 4.252 7.617 1.00 0.00 N ATOM 386 CA GLY A 26 2.493 2.940 8.227 1.00 0.00 C ATOM 387 C GLY A 26 3.813 2.235 8.001 1.00 0.00 C ATOM 388 O GLY A 26 4.738 2.367 8.799 1.00 0.00 O ATOM 0 H GLY A 26 3.103 4.354 6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.308 3.034 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.683 2.338 7.815 1.00 0.00 H new ATOM 392 N LEU A 27 3.897 1.488 6.902 1.00 0.00 N ATOM 393 CA LEU A 27 5.107 0.752 6.544 1.00 0.00 C ATOM 394 C LEU A 27 4.820 -0.194 5.386 1.00 0.00 C ATOM 395 O LEU A 27 3.665 -0.429 5.050 1.00 0.00 O ATOM 396 CB LEU A 27 5.624 -0.034 7.745 1.00 0.00 C ATOM 397 CG LEU A 27 7.067 0.271 8.152 1.00 0.00 C ATOM 398 CD1 LEU A 27 8.039 -0.268 7.117 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.273 1.769 8.345 1.00 0.00 C ATOM 0 H LEU A 27 3.131 1.376 6.237 1.00 0.00 H new ATOM 0 HA LEU A 27 5.872 1.466 6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.974 0.165 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.543 -1.098 7.524 1.00 0.00 H new ATOM 0 HG LEU A 27 7.262 -0.225 9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.060 -0.041 7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.917 -1.348 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.838 0.198 6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.307 1.960 8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.055 2.289 7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.605 2.130 9.127 1.00 0.00 H new ATOM 411 N LYS A 28 5.869 -0.739 4.776 1.00 0.00 N ATOM 412 CA LYS A 28 5.700 -1.658 3.655 1.00 0.00 C ATOM 413 C LYS A 28 4.673 -2.738 3.988 1.00 0.00 C ATOM 414 O LYS A 28 3.653 -2.866 3.311 1.00 0.00 O ATOM 415 CB LYS A 28 7.037 -2.305 3.289 1.00 0.00 C ATOM 416 CG LYS A 28 7.236 -2.484 1.793 1.00 0.00 C ATOM 417 CD LYS A 28 8.532 -3.218 1.488 1.00 0.00 C ATOM 418 CE LYS A 28 8.688 -3.476 -0.001 1.00 0.00 C ATOM 419 NZ LYS A 28 9.322 -4.796 -0.273 1.00 0.00 N ATOM 0 H LYS A 28 6.839 -0.562 5.037 1.00 0.00 H new ATOM 0 HA LYS A 28 5.337 -1.086 2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.848 -1.693 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.106 -3.278 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.395 -3.039 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.246 -1.509 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.377 -2.631 1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.550 -4.166 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.710 -3.437 -0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.292 -2.685 -0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.243 -5.017 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.326 -4.761 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.841 -5.533 0.281 1.00 0.00 H new ATOM 433 N ASN A 29 4.933 -3.496 5.050 1.00 0.00 N ATOM 434 CA ASN A 29 4.015 -4.547 5.476 1.00 0.00 C ATOM 435 C ASN A 29 2.624 -3.966 5.697 1.00 0.00 C ATOM 436 O ASN A 29 1.618 -4.527 5.258 1.00 0.00 O ATOM 437 CB ASN A 29 4.518 -5.207 6.762 1.00 0.00 C ATOM 438 CG ASN A 29 4.922 -4.192 7.813 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.753 -3.320 7.563 1.00 0.00 O ATOM 440 ND2 ASN A 29 4.333 -4.302 8.998 1.00 0.00 N ATOM 0 H ASN A 29 5.768 -3.402 5.629 1.00 0.00 H new ATOM 0 HA ASN A 29 3.964 -5.304 4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.738 -5.852 7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.371 -5.845 6.530 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.564 -3.647 9.745 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.649 -5.041 9.161 1.00 0.00 H new ATOM 447 N GLU A 30 2.586 -2.819 6.361 1.00 0.00 N ATOM 448 CA GLU A 30 1.332 -2.132 6.627 1.00 0.00 C ATOM 449 C GLU A 30 0.715 -1.643 5.322 1.00 0.00 C ATOM 450 O GLU A 30 -0.504 -1.523 5.204 1.00 0.00 O ATOM 451 CB GLU A 30 1.564 -0.954 7.573 1.00 0.00 C ATOM 452 CG GLU A 30 1.358 -1.301 9.039 1.00 0.00 C ATOM 453 CD GLU A 30 -0.024 -1.860 9.318 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.957 -1.056 9.530 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.173 -3.100 9.324 1.00 0.00 O ATOM 0 H GLU A 30 3.412 -2.345 6.726 1.00 0.00 H new ATOM 0 HA GLU A 30 0.644 -2.831 7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.580 -0.583 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.889 -0.143 7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.109 -2.029 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.514 -0.409 9.645 1.00 0.00 H new ATOM 462 N TRP A 31 1.575 -1.355 4.348 1.00 0.00 N ATOM 463 CA TRP A 31 1.136 -0.869 3.049 1.00 0.00 C ATOM 464 C TRP A 31 0.476 -1.983 2.251 1.00 0.00 C ATOM 465 O TRP A 31 -0.604 -1.799 1.693 1.00 0.00 O ATOM 466 CB TRP A 31 2.325 -0.271 2.293 1.00 0.00 C ATOM 467 CG TRP A 31 2.816 0.997 2.922 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.177 1.709 3.897 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.039 1.701 2.647 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.917 2.808 4.240 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.064 2.825 3.493 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.115 1.497 1.774 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.114 3.736 3.495 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.158 2.404 1.779 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.152 3.509 2.634 1.00 0.00 C ATOM 0 H TRP A 31 2.586 -1.452 4.438 1.00 0.00 H new ATOM 0 HA TRP A 31 0.390 -0.087 3.194 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.137 -0.998 2.263 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.035 -0.074 1.261 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.226 1.443 4.334 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.656 3.503 4.940 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.130 0.646 1.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.110 4.592 4.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.993 2.256 1.110 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.984 4.198 2.615 1.00 0.00 H new ATOM 486 N VAL A 32 1.110 -3.150 2.221 1.00 0.00 N ATOM 487 CA VAL A 32 0.545 -4.286 1.508 1.00 0.00 C ATOM 488 C VAL A 32 -0.779 -4.689 2.147 1.00 0.00 C ATOM 489 O VAL A 32 -1.717 -5.089 1.461 1.00 0.00 O ATOM 490 CB VAL A 32 1.503 -5.497 1.488 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.829 -5.958 2.900 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.911 -6.636 0.668 1.00 0.00 C ATOM 0 H VAL A 32 2.004 -3.332 2.676 1.00 0.00 H new ATOM 0 HA VAL A 32 0.384 -3.977 0.475 1.00 0.00 H new ATOM 0 HB VAL A 32 2.434 -5.184 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.505 -6.812 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.306 -5.145 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.910 -6.248 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.601 -7.480 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.038 -6.944 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.746 -6.300 -0.356 1.00 0.00 H new ATOM 502 N GLN A 33 -0.847 -4.570 3.470 1.00 0.00 N ATOM 503 CA GLN A 33 -2.058 -4.911 4.204 1.00 0.00 C ATOM 504 C GLN A 33 -3.191 -3.940 3.874 1.00 0.00 C ATOM 505 O GLN A 33 -4.297 -4.360 3.533 1.00 0.00 O ATOM 506 CB GLN A 33 -1.786 -4.903 5.710 1.00 0.00 C ATOM 507 CG GLN A 33 -0.969 -6.092 6.188 1.00 0.00 C ATOM 508 CD GLN A 33 -1.582 -7.418 5.783 1.00 0.00 C ATOM 509 OE1 GLN A 33 -1.262 -7.875 4.578 1.00 0.00 O flip ATOM 510 NE2 GLN A 33 -2.333 -8.027 6.545 1.00 0.00 N flip ATOM 0 H GLN A 33 -0.078 -4.240 4.053 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.365 -5.912 3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.261 -3.984 5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.737 -4.889 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.040 -6.023 5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.878 -6.054 7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.552 -7.639 7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.736 -8.919 6.259 1.00 0.00 H new ATOM 519 N ARG A 34 -2.912 -2.640 3.976 1.00 0.00 N ATOM 520 CA ARG A 34 -3.921 -1.626 3.684 1.00 0.00 C ATOM 521 C ARG A 34 -4.331 -1.671 2.214 1.00 0.00 C ATOM 522 O ARG A 34 -5.514 -1.574 1.892 1.00 0.00 O ATOM 523 CB ARG A 34 -3.419 -0.229 4.059 1.00 0.00 C ATOM 524 CG ARG A 34 -2.216 0.229 3.269 1.00 0.00 C ATOM 525 CD ARG A 34 -1.899 1.683 3.568 1.00 0.00 C ATOM 526 NE ARG A 34 -1.793 1.948 5.001 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.440 2.926 5.634 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.247 3.747 4.971 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.275 3.089 6.939 1.00 0.00 N ATOM 0 H ARG A 34 -2.004 -2.269 4.256 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.800 -1.847 4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.228 0.487 3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.169 -0.218 5.120 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.356 -0.394 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.406 0.105 2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.963 1.955 3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.676 2.317 3.141 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.184 1.345 5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.377 3.633 3.966 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.737 4.492 5.467 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.654 2.467 7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.769 3.837 7.426 1.00 0.00 H new ATOM 543 N LEU A 35 -3.354 -1.838 1.324 1.00 0.00 N ATOM 544 CA LEU A 35 -3.638 -1.915 -0.105 1.00 0.00 C ATOM 545 C LEU A 35 -4.512 -3.127 -0.398 1.00 0.00 C ATOM 546 O LEU A 35 -5.557 -3.012 -1.038 1.00 0.00 O ATOM 547 CB LEU A 35 -2.344 -2.018 -0.913 1.00 0.00 C ATOM 548 CG LEU A 35 -1.438 -0.789 -0.885 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.081 -1.143 -1.460 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.054 0.360 -1.666 1.00 0.00 C ATOM 0 H LEU A 35 -2.367 -1.922 1.566 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.162 -1.005 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.776 -2.872 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.603 -2.231 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.321 -0.468 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.564 -0.264 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.370 -1.938 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.199 -1.482 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.389 1.223 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.201 0.058 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.015 0.625 -1.226 1.00 0.00 H new ATOM 562 N ILE A 36 -4.081 -4.288 0.090 1.00 0.00 N ATOM 563 CA ILE A 36 -4.828 -5.525 -0.106 1.00 0.00 C ATOM 564 C ILE A 36 -6.264 -5.354 0.380 1.00 0.00 C ATOM 565 O ILE A 36 -7.205 -5.860 -0.232 1.00 0.00 O ATOM 566 CB ILE A 36 -4.165 -6.709 0.635 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.853 -7.108 -0.048 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.106 -7.907 0.699 1.00 0.00 C ATOM 569 CD1 ILE A 36 -2.015 -8.060 0.777 1.00 0.00 C ATOM 0 H ILE A 36 -3.219 -4.397 0.624 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.828 -5.748 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.947 -6.386 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.078 -7.572 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.272 -6.210 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.616 -8.727 1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.016 -7.627 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.360 -8.225 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.100 -8.302 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.761 -7.591 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.579 -8.974 0.963 1.00 0.00 H new ATOM 581 N LYS A 37 -6.423 -4.618 1.476 1.00 0.00 N ATOM 582 CA LYS A 37 -7.740 -4.356 2.030 1.00 0.00 C ATOM 583 C LYS A 37 -8.484 -3.380 1.133 1.00 0.00 C ATOM 584 O LYS A 37 -9.708 -3.435 1.009 1.00 0.00 O ATOM 585 CB LYS A 37 -7.623 -3.786 3.446 1.00 0.00 C ATOM 586 CG LYS A 37 -7.397 -4.845 4.512 1.00 0.00 C ATOM 587 CD LYS A 37 -6.743 -4.256 5.751 1.00 0.00 C ATOM 588 CE LYS A 37 -7.296 -4.879 7.022 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.785 -4.841 7.057 1.00 0.00 N ATOM 0 H LYS A 37 -5.654 -4.194 1.995 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.295 -5.293 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.799 -3.072 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.532 -3.233 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.350 -5.299 4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.768 -5.639 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.666 -4.415 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.906 -3.178 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.957 -5.912 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.899 -4.350 7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.108 -4.796 8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.123 -4.002 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.165 -5.698 6.607 1.00 0.00 H new ATOM 603 N ASP A 38 -7.725 -2.490 0.499 1.00 0.00 N ATOM 604 CA ASP A 38 -8.294 -1.503 -0.400 1.00 0.00 C ATOM 605 C ASP A 38 -8.836 -2.176 -1.655 1.00 0.00 C ATOM 606 O ASP A 38 -9.963 -1.919 -2.078 1.00 0.00 O ATOM 607 CB ASP A 38 -7.235 -0.470 -0.779 1.00 0.00 C ATOM 608 CG ASP A 38 -7.825 0.721 -1.509 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.482 1.554 -0.850 1.00 0.00 O ATOM 610 OD2 ASP A 38 -7.629 0.821 -2.738 1.00 0.00 O ATOM 0 H ASP A 38 -6.711 -2.436 0.595 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.116 -1.001 0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.728 -0.126 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.480 -0.941 -1.409 1.00 0.00 H new ATOM 615 N ASP A 39 -8.020 -3.048 -2.239 1.00 0.00 N ATOM 616 CA ASP A 39 -8.406 -3.774 -3.442 1.00 0.00 C ATOM 617 C ASP A 39 -9.562 -4.718 -3.140 1.00 0.00 C ATOM 618 O ASP A 39 -10.444 -4.928 -3.973 1.00 0.00 O ATOM 619 CB ASP A 39 -7.213 -4.564 -3.988 1.00 0.00 C ATOM 620 CG ASP A 39 -7.010 -4.350 -5.476 1.00 0.00 C ATOM 621 OD1 ASP A 39 -6.893 -3.181 -5.897 1.00 0.00 O ATOM 622 OD2 ASP A 39 -6.970 -5.353 -6.219 1.00 0.00 O ATOM 0 H ASP A 39 -7.085 -3.269 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.727 -3.055 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.310 -4.268 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.364 -5.626 -3.794 1.00 0.00 H new ATOM 627 N GLU A 40 -9.550 -5.279 -1.938 1.00 0.00 N ATOM 628 CA GLU A 40 -10.598 -6.198 -1.509 1.00 0.00 C ATOM 629 C GLU A 40 -11.826 -5.435 -1.033 1.00 0.00 C ATOM 630 O GLU A 40 -12.934 -5.972 -1.013 1.00 0.00 O ATOM 631 CB GLU A 40 -10.085 -7.118 -0.400 1.00 0.00 C ATOM 632 CG GLU A 40 -9.305 -8.316 -0.915 1.00 0.00 C ATOM 633 CD GLU A 40 -10.121 -9.592 -0.901 1.00 0.00 C ATOM 634 OE1 GLU A 40 -11.355 -9.510 -1.079 1.00 0.00 O ATOM 635 OE2 GLU A 40 -9.527 -10.675 -0.714 1.00 0.00 O ATOM 0 H GLU A 40 -8.824 -5.114 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.883 -6.809 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.449 -6.543 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.932 -7.472 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.968 -8.116 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.412 -8.453 -0.305 1.00 0.00 H new