USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=11 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 160:sc= -1.69! USER MOD Single : A 12 GLN :FLIP amide:sc= -0.591 F(o=-1.7,f=-0.59) 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+ -164:sc= -0.0145 (180deg=-0.206) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc=-0.00226 (180deg=-0.562) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.03 F(o=-2.1,f=-1) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.62 F(o=-1.1,f=-0.62) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.820 -6.650 -2.957 1.00 0.00 N ATOM 43 CA TYR A 5 2.700 -5.531 -2.641 1.00 0.00 C ATOM 44 C TYR A 5 3.871 -5.979 -1.776 1.00 0.00 C ATOM 45 O TYR A 5 4.938 -5.364 -1.790 1.00 0.00 O ATOM 46 CB TYR A 5 1.926 -4.428 -1.925 1.00 0.00 C ATOM 47 CG TYR A 5 0.648 -4.036 -2.623 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.563 -4.627 -2.282 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.651 -3.068 -3.614 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.733 -4.264 -2.912 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.511 -2.700 -4.251 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.705 -3.299 -3.899 1.00 0.00 C ATOM 53 OH TYR A 5 -2.869 -2.931 -4.533 1.00 0.00 O ATOM 0 HA TYR A 5 3.092 -5.143 -3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.691 -4.759 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.564 -3.549 -1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.587 -5.383 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.581 -2.594 -3.891 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.667 -4.731 -2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.490 -1.946 -5.024 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.674 -2.240 -5.200 1.00 0.00 H new ATOM 63 N SER A 6 3.665 -7.054 -1.025 1.00 0.00 N ATOM 64 CA SER A 6 4.700 -7.590 -0.154 1.00 0.00 C ATOM 65 C SER A 6 6.004 -7.800 -0.923 1.00 0.00 C ATOM 66 O SER A 6 7.087 -7.804 -0.339 1.00 0.00 O ATOM 67 CB SER A 6 4.224 -8.901 0.470 1.00 0.00 C ATOM 68 OG SER A 6 5.110 -9.335 1.487 1.00 0.00 O ATOM 0 H SER A 6 2.787 -7.572 -1.003 1.00 0.00 H new ATOM 0 HA SER A 6 4.895 -6.871 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.226 -8.767 0.886 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.148 -9.667 -0.301 1.00 0.00 H new ATOM 0 HG SER A 6 4.781 -10.175 1.871 1.00 0.00 H new ATOM 74 N SER A 7 5.890 -7.961 -2.240 1.00 0.00 N ATOM 75 CA SER A 7 7.056 -8.155 -3.093 1.00 0.00 C ATOM 76 C SER A 7 7.441 -6.848 -3.785 1.00 0.00 C ATOM 77 O SER A 7 8.598 -6.648 -4.153 1.00 0.00 O ATOM 78 CB SER A 7 6.774 -9.236 -4.140 1.00 0.00 C ATOM 79 OG SER A 7 6.013 -10.296 -3.587 1.00 0.00 O ATOM 0 H SER A 7 5.000 -7.961 -2.738 1.00 0.00 H new ATOM 0 HA SER A 7 7.888 -8.476 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.237 -8.800 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.715 -9.624 -4.529 1.00 0.00 H new ATOM 0 HG SER A 7 5.845 -10.972 -4.276 1.00 0.00 H new ATOM 85 N LEU A 8 6.462 -5.959 -3.951 1.00 0.00 N ATOM 86 CA LEU A 8 6.695 -4.668 -4.592 1.00 0.00 C ATOM 87 C LEU A 8 7.773 -3.883 -3.847 1.00 0.00 C ATOM 88 O LEU A 8 8.489 -4.433 -3.012 1.00 0.00 O ATOM 89 CB LEU A 8 5.395 -3.857 -4.630 1.00 0.00 C ATOM 90 CG LEU A 8 4.775 -3.671 -6.017 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.592 -4.607 -6.198 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.342 -2.225 -6.222 1.00 0.00 C ATOM 0 H LEU A 8 5.499 -6.111 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 8 7.036 -4.848 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.663 -4.346 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.588 -2.873 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 8 5.529 -3.914 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.162 -4.463 -7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.926 -5.639 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.838 -4.391 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.904 -2.114 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.604 -1.956 -5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.208 -1.570 -6.132 1.00 0.00 H new ATOM 104 N THR A 9 7.874 -2.591 -4.147 1.00 0.00 N ATOM 105 CA THR A 9 8.855 -1.733 -3.495 1.00 0.00 C ATOM 106 C THR A 9 8.162 -0.701 -2.617 1.00 0.00 C ATOM 107 O THR A 9 7.008 -0.344 -2.851 1.00 0.00 O ATOM 108 CB THR A 9 9.741 -1.027 -4.528 1.00 0.00 C ATOM 109 OG1 THR A 9 10.234 0.198 -4.010 1.00 0.00 O ATOM 110 CG2 THR A 9 9.029 -0.721 -5.829 1.00 0.00 C ATOM 0 H THR A 9 7.289 -2.117 -4.836 1.00 0.00 H new ATOM 0 HA THR A 9 9.487 -2.364 -2.870 1.00 0.00 H new ATOM 0 HB THR A 9 10.551 -1.727 -4.736 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.024 0.474 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.717 -0.222 -6.512 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.680 -1.650 -6.280 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.177 -0.071 -5.633 1.00 0.00 H new ATOM 118 N VAL A 10 8.877 -0.221 -1.610 1.00 0.00 N ATOM 119 CA VAL A 10 8.335 0.773 -0.697 1.00 0.00 C ATOM 120 C VAL A 10 7.934 2.036 -1.443 1.00 0.00 C ATOM 121 O VAL A 10 7.005 2.730 -1.043 1.00 0.00 O ATOM 122 CB VAL A 10 9.358 1.152 0.387 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.561 0.003 1.361 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.675 1.561 -0.258 1.00 0.00 C ATOM 0 H VAL A 10 9.835 -0.505 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 10 7.458 0.327 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 10 8.972 2.001 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.288 0.293 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.613 -0.239 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.927 -0.871 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.393 1.828 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.066 0.730 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.510 2.419 -0.910 1.00 0.00 H new ATOM 134 N VAL A 11 8.649 2.331 -2.524 1.00 0.00 N ATOM 135 CA VAL A 11 8.375 3.520 -3.321 1.00 0.00 C ATOM 136 C VAL A 11 7.073 3.377 -4.097 1.00 0.00 C ATOM 137 O VAL A 11 6.266 4.305 -4.159 1.00 0.00 O ATOM 138 CB VAL A 11 9.529 3.813 -4.304 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.867 3.710 -3.592 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.490 2.865 -5.495 1.00 0.00 C ATOM 0 H VAL A 11 9.423 1.762 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 11 8.282 4.355 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 11 9.405 4.830 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.671 3.919 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.902 4.433 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.989 2.704 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.314 3.095 -6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.584 1.837 -5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.544 2.984 -6.024 1.00 0.00 H new ATOM 150 N GLN A 12 6.876 2.206 -4.684 1.00 0.00 N ATOM 151 CA GLN A 12 5.673 1.938 -5.455 1.00 0.00 C ATOM 152 C GLN A 12 4.486 1.755 -4.529 1.00 0.00 C ATOM 153 O GLN A 12 3.379 2.201 -4.825 1.00 0.00 O ATOM 154 CB GLN A 12 5.853 0.692 -6.321 1.00 0.00 C ATOM 155 CG GLN A 12 6.758 0.910 -7.522 1.00 0.00 C ATOM 156 CD GLN A 12 6.959 -0.352 -8.336 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.213 -0.666 -8.640 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 5.999 -1.037 -8.687 1.00 0.00 N flip ATOM 0 H GLN A 12 7.533 1.427 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 12 5.488 2.792 -6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.264 -0.110 -5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.876 0.358 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.330 1.685 -8.159 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.726 1.276 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.052 -0.757 -8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.150 -1.884 -9.234 1.00 0.00 H new ATOM 167 N LEU A 13 4.730 1.087 -3.409 1.00 0.00 N ATOM 168 CA LEU A 13 3.684 0.831 -2.436 1.00 0.00 C ATOM 169 C LEU A 13 3.106 2.133 -1.891 1.00 0.00 C ATOM 170 O LEU A 13 1.897 2.342 -1.916 1.00 0.00 O ATOM 171 CB LEU A 13 4.217 -0.035 -1.295 1.00 0.00 C ATOM 172 CG LEU A 13 3.780 -1.502 -1.345 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.890 -2.371 -1.910 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.378 -1.993 0.037 1.00 0.00 C ATOM 0 H LEU A 13 5.645 0.714 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 13 2.881 0.292 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.306 0.006 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.890 0.395 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 13 2.913 -1.574 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.561 -3.410 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.133 -2.040 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.775 -2.288 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.071 -3.037 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.226 -1.902 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.548 -1.392 0.410 1.00 0.00 H new ATOM 186 N LYS A 14 3.971 3.007 -1.394 1.00 0.00 N ATOM 187 CA LYS A 14 3.519 4.278 -0.843 1.00 0.00 C ATOM 188 C LYS A 14 3.034 5.223 -1.940 1.00 0.00 C ATOM 189 O LYS A 14 2.119 6.014 -1.722 1.00 0.00 O ATOM 190 CB LYS A 14 4.631 4.939 -0.036 1.00 0.00 C ATOM 191 CG LYS A 14 5.814 5.380 -0.878 1.00 0.00 C ATOM 192 CD LYS A 14 6.853 6.122 -0.050 1.00 0.00 C ATOM 193 CE LYS A 14 6.220 7.198 0.822 1.00 0.00 C ATOM 194 NZ LYS A 14 7.049 8.433 0.873 1.00 0.00 N ATOM 0 H LYS A 14 4.980 2.862 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 14 2.678 4.068 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.224 5.805 0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.978 4.242 0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.275 4.508 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.465 6.024 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.389 5.413 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.588 6.578 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.230 7.441 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.082 6.812 1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.582 9.140 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.985 8.207 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.159 8.817 -0.087 1.00 0.00 H new ATOM 208 N ASP A 15 3.641 5.135 -3.121 1.00 0.00 N ATOM 209 CA ASP A 15 3.247 5.988 -4.235 1.00 0.00 C ATOM 210 C ASP A 15 1.811 5.683 -4.643 1.00 0.00 C ATOM 211 O ASP A 15 0.964 6.577 -4.728 1.00 0.00 O ATOM 212 CB ASP A 15 4.192 5.782 -5.423 1.00 0.00 C ATOM 213 CG ASP A 15 3.839 6.667 -6.603 1.00 0.00 C ATOM 214 OD1 ASP A 15 4.112 7.884 -6.535 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.290 6.143 -7.594 1.00 0.00 O ATOM 0 H ASP A 15 4.401 4.487 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 15 3.310 7.029 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.215 5.990 -5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.159 4.738 -5.733 1.00 0.00 H new ATOM 220 N LEU A 16 1.537 4.404 -4.860 1.00 0.00 N ATOM 221 CA LEU A 16 0.203 3.969 -5.224 1.00 0.00 C ATOM 222 C LEU A 16 -0.737 4.208 -4.052 1.00 0.00 C ATOM 223 O LEU A 16 -1.924 4.460 -4.234 1.00 0.00 O ATOM 224 CB LEU A 16 0.222 2.486 -5.640 1.00 0.00 C ATOM 225 CG LEU A 16 -0.385 1.485 -4.641 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.181 0.411 -5.363 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.706 0.852 -3.795 1.00 0.00 C ATOM 0 H LEU A 16 2.223 3.652 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.155 4.544 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.311 2.390 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.256 2.197 -5.827 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.064 2.031 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.599 -0.284 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.990 0.875 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.526 -0.130 -6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.260 0.147 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.408 0.326 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.234 1.629 -3.242 1.00 0.00 H new ATOM 239 N LEU A 17 -0.187 4.110 -2.846 1.00 0.00 N ATOM 240 CA LEU A 17 -0.961 4.299 -1.631 1.00 0.00 C ATOM 241 C LEU A 17 -1.606 5.673 -1.584 1.00 0.00 C ATOM 242 O LEU A 17 -2.824 5.797 -1.458 1.00 0.00 O ATOM 243 CB LEU A 17 -0.048 4.153 -0.425 1.00 0.00 C ATOM 244 CG LEU A 17 0.009 2.764 0.179 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.065 2.722 1.273 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.358 2.369 0.711 1.00 0.00 C ATOM 0 H LEU A 17 0.798 3.899 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.748 3.545 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.961 4.447 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.375 4.853 0.344 1.00 0.00 H new ATOM 0 HG LEU A 17 0.288 2.043 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.102 1.722 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.038 2.971 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.812 3.443 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.306 1.369 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.669 3.079 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.081 2.375 -0.104 1.00 0.00 H new ATOM 258 N THR A 18 -0.780 6.704 -1.700 1.00 0.00 N ATOM 259 CA THR A 18 -1.283 8.070 -1.680 1.00 0.00 C ATOM 260 C THR A 18 -2.167 8.291 -2.895 1.00 0.00 C ATOM 261 O THR A 18 -3.145 9.038 -2.841 1.00 0.00 O ATOM 262 CB THR A 18 -0.141 9.099 -1.639 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.492 10.275 -2.347 1.00 0.00 O ATOM 264 CG2 THR A 18 1.163 8.594 -2.216 1.00 0.00 C ATOM 0 H THR A 18 0.231 6.622 -1.808 1.00 0.00 H new ATOM 0 HA THR A 18 -1.867 8.213 -0.771 1.00 0.00 H new ATOM 0 HB THR A 18 0.009 9.301 -0.578 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.249 10.915 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.918 9.378 -2.150 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.496 7.722 -1.654 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.016 8.318 -3.260 1.00 0.00 H new ATOM 272 N LYS A 19 -1.829 7.615 -3.989 1.00 0.00 N ATOM 273 CA LYS A 19 -2.608 7.719 -5.209 1.00 0.00 C ATOM 274 C LYS A 19 -3.937 6.965 -5.068 1.00 0.00 C ATOM 275 O LYS A 19 -4.865 7.178 -5.847 1.00 0.00 O ATOM 276 CB LYS A 19 -1.816 7.165 -6.395 1.00 0.00 C ATOM 277 CG LYS A 19 -0.802 8.147 -6.961 1.00 0.00 C ATOM 278 CD LYS A 19 0.314 7.429 -7.703 1.00 0.00 C ATOM 279 CE LYS A 19 1.143 8.397 -8.532 1.00 0.00 C ATOM 280 NZ LYS A 19 0.385 8.916 -9.703 1.00 0.00 N ATOM 0 H LYS A 19 -1.023 6.993 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.823 8.773 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.297 6.259 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.512 6.879 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.303 8.840 -7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.379 8.742 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.958 6.917 -6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.112 6.664 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.460 9.231 -7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.047 7.896 -8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.046 9.346 -10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.123 8.133 -10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.298 9.632 -9.384 1.00 0.00 H new ATOM 351 N SER A 23 -3.073 6.244 2.240 1.00 0.00 N ATOM 352 CA SER A 23 -1.919 6.927 2.818 1.00 0.00 C ATOM 353 C SER A 23 -0.728 5.991 2.912 1.00 0.00 C ATOM 354 O SER A 23 -0.781 4.843 2.473 1.00 0.00 O ATOM 355 CB SER A 23 -2.216 7.487 4.207 1.00 0.00 C ATOM 356 OG SER A 23 -2.787 8.782 4.130 1.00 0.00 O ATOM 0 HA SER A 23 -1.687 7.758 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.897 6.818 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.296 7.527 4.789 1.00 0.00 H new ATOM 0 HG SER A 23 -2.968 9.114 5.034 1.00 0.00 H new ATOM 362 N VAL A 24 0.350 6.503 3.483 1.00 0.00 N ATOM 363 CA VAL A 24 1.572 5.739 3.635 1.00 0.00 C ATOM 364 C VAL A 24 2.104 5.808 5.068 1.00 0.00 C ATOM 365 O VAL A 24 3.156 5.248 5.373 1.00 0.00 O ATOM 366 CB VAL A 24 2.642 6.258 2.662 1.00 0.00 C ATOM 367 CG1 VAL A 24 2.025 6.490 1.292 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.264 7.541 3.196 1.00 0.00 C ATOM 0 H VAL A 24 0.401 7.453 3.851 1.00 0.00 H new ATOM 0 HA VAL A 24 1.342 4.698 3.408 1.00 0.00 H new ATOM 0 HB VAL A 24 3.430 5.511 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.789 6.858 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.618 5.553 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.225 7.226 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.020 7.897 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.490 8.300 3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.728 7.346 4.163 1.00 0.00 H new ATOM 378 N GLY A 25 1.376 6.498 5.942 1.00 0.00 N ATOM 379 CA GLY A 25 1.797 6.615 7.325 1.00 0.00 C ATOM 380 C GLY A 25 1.711 5.292 8.062 1.00 0.00 C ATOM 381 O GLY A 25 0.935 5.146 9.006 1.00 0.00 O ATOM 0 H GLY A 25 0.504 6.977 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.822 6.984 7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.175 7.353 7.832 1.00 0.00 H new ATOM 385 N GLY A 26 2.513 4.327 7.622 1.00 0.00 N ATOM 386 CA GLY A 26 2.521 3.019 8.242 1.00 0.00 C ATOM 387 C GLY A 26 3.837 2.303 8.019 1.00 0.00 C ATOM 388 O GLY A 26 4.762 2.433 8.816 1.00 0.00 O ATOM 0 H GLY A 26 3.161 4.432 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.339 3.122 9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.707 2.419 7.837 1.00 0.00 H new ATOM 392 N LEU A 27 3.916 1.549 6.925 1.00 0.00 N ATOM 393 CA LEU A 27 5.121 0.803 6.572 1.00 0.00 C ATOM 394 C LEU A 27 4.835 -0.139 5.409 1.00 0.00 C ATOM 395 O LEU A 27 3.680 -0.372 5.072 1.00 0.00 O ATOM 396 CB LEU A 27 5.626 0.011 7.776 1.00 0.00 C ATOM 397 CG LEU A 27 7.071 0.298 8.187 1.00 0.00 C ATOM 398 CD1 LEU A 27 8.040 -0.250 7.154 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.295 1.793 8.384 1.00 0.00 C ATOM 0 H LEU A 27 3.150 1.438 6.261 1.00 0.00 H new ATOM 0 HA LEU A 27 5.893 1.511 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.976 0.219 8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.533 -1.052 7.556 1.00 0.00 H new ATOM 0 HG LEU A 27 7.256 -0.203 9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.063 -0.036 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.906 -1.328 7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.848 0.220 6.189 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.330 1.970 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.086 2.318 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.630 2.161 9.165 1.00 0.00 H new ATOM 411 N LYS A 28 5.886 -0.679 4.797 1.00 0.00 N ATOM 412 CA LYS A 28 5.720 -1.594 3.671 1.00 0.00 C ATOM 413 C LYS A 28 4.688 -2.673 3.992 1.00 0.00 C ATOM 414 O LYS A 28 3.670 -2.793 3.308 1.00 0.00 O ATOM 415 CB LYS A 28 7.059 -2.241 3.309 1.00 0.00 C ATOM 416 CG LYS A 28 7.283 -2.381 1.812 1.00 0.00 C ATOM 417 CD LYS A 28 8.518 -3.215 1.511 1.00 0.00 C ATOM 418 CE LYS A 28 8.645 -3.507 0.025 1.00 0.00 C ATOM 419 NZ LYS A 28 10.056 -3.411 -0.443 1.00 0.00 N ATOM 0 H LYS A 28 6.855 -0.501 5.059 1.00 0.00 H new ATOM 0 HA LYS A 28 5.362 -1.018 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.867 -1.646 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.113 -3.227 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.409 -2.844 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.392 -1.393 1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.407 -2.688 1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.468 -4.153 2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.261 -4.506 -0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.028 -2.805 -0.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.177 -3.984 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.285 -2.419 -0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.693 -3.763 0.300 1.00 0.00 H new ATOM 433 N ASN A 29 4.939 -3.439 5.049 1.00 0.00 N ATOM 434 CA ASN A 29 4.014 -4.490 5.461 1.00 0.00 C ATOM 435 C ASN A 29 2.626 -3.905 5.688 1.00 0.00 C ATOM 436 O ASN A 29 1.616 -4.461 5.247 1.00 0.00 O ATOM 437 CB ASN A 29 4.512 -5.171 6.738 1.00 0.00 C ATOM 438 CG ASN A 29 4.832 -4.176 7.836 1.00 0.00 C ATOM 439 OD1 ASN A 29 3.808 -3.754 8.569 1.00 0.00 O flip ATOM 440 ND2 ASN A 29 5.987 -3.791 8.025 1.00 0.00 N flip ATOM 0 H ASN A 29 5.771 -3.353 5.633 1.00 0.00 H new ATOM 0 HA ASN A 29 3.960 -5.236 4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.754 -5.869 7.094 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.403 -5.756 6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.744 -4.141 7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.186 -3.122 8.769 1.00 0.00 H new ATOM 447 N GLU A 30 2.591 -2.763 6.362 1.00 0.00 N ATOM 448 CA GLU A 30 1.340 -2.077 6.635 1.00 0.00 C ATOM 449 C GLU A 30 0.717 -1.584 5.333 1.00 0.00 C ATOM 450 O GLU A 30 -0.502 -1.464 5.219 1.00 0.00 O ATOM 451 CB GLU A 30 1.575 -0.900 7.583 1.00 0.00 C ATOM 452 CG GLU A 30 1.360 -1.246 9.047 1.00 0.00 C ATOM 453 CD GLU A 30 -0.107 -1.371 9.408 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.931 -0.656 8.800 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.433 -2.184 10.298 1.00 0.00 O ATOM 0 H GLU A 30 3.418 -2.293 6.730 1.00 0.00 H new ATOM 0 HA GLU A 30 0.655 -2.778 7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.594 -0.535 7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.906 -0.084 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.867 -2.184 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.819 -0.478 9.669 1.00 0.00 H new ATOM 462 N TRP A 31 1.573 -1.295 4.357 1.00 0.00 N ATOM 463 CA TRP A 31 1.130 -0.809 3.062 1.00 0.00 C ATOM 464 C TRP A 31 0.456 -1.921 2.274 1.00 0.00 C ATOM 465 O TRP A 31 -0.659 -1.755 1.781 1.00 0.00 O ATOM 466 CB TRP A 31 2.317 -0.225 2.295 1.00 0.00 C ATOM 467 CG TRP A 31 2.832 1.032 2.925 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.210 1.753 3.902 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.065 1.715 2.643 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.969 2.838 4.243 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.111 2.838 3.491 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.132 1.495 1.764 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.176 3.730 3.489 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.190 2.385 1.765 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.207 3.488 2.623 1.00 0.00 C ATOM 0 H TRP A 31 2.585 -1.391 4.444 1.00 0.00 H new ATOM 0 HA TRP A 31 0.393 -0.019 3.210 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.118 -0.963 2.252 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.018 -0.019 1.267 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.256 1.503 4.342 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.723 3.535 4.945 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.129 0.645 1.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.190 4.585 4.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.018 2.225 1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.050 4.162 2.602 1.00 0.00 H new ATOM 486 N VAL A 32 1.119 -3.067 2.179 1.00 0.00 N ATOM 487 CA VAL A 32 0.550 -4.203 1.469 1.00 0.00 C ATOM 488 C VAL A 32 -0.770 -4.609 2.117 1.00 0.00 C ATOM 489 O VAL A 32 -1.711 -5.013 1.437 1.00 0.00 O ATOM 490 CB VAL A 32 1.510 -5.412 1.445 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.841 -5.874 2.855 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.915 -6.551 0.627 1.00 0.00 C ATOM 0 H VAL A 32 2.042 -3.233 2.581 1.00 0.00 H new ATOM 0 HA VAL A 32 0.380 -3.894 0.438 1.00 0.00 H new ATOM 0 HB VAL A 32 2.439 -5.098 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.519 -6.727 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.318 -5.061 3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.924 -6.167 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.606 -7.394 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.032 -6.860 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.745 -6.214 -0.396 1.00 0.00 H new ATOM 502 N GLN A 33 -0.831 -4.487 3.441 1.00 0.00 N ATOM 503 CA GLN A 33 -2.037 -4.832 4.183 1.00 0.00 C ATOM 504 C GLN A 33 -3.172 -3.857 3.871 1.00 0.00 C ATOM 505 O GLN A 33 -4.283 -4.274 3.538 1.00 0.00 O ATOM 506 CB GLN A 33 -1.753 -4.838 5.686 1.00 0.00 C ATOM 507 CG GLN A 33 -1.004 -6.074 6.158 1.00 0.00 C ATOM 508 CD GLN A 33 -1.701 -7.362 5.766 1.00 0.00 C ATOM 509 OE1 GLN A 33 -1.378 -7.874 4.584 1.00 0.00 O flip ATOM 510 NE2 GLN A 33 -2.522 -7.892 6.516 1.00 0.00 N flip ATOM 0 H GLN A 33 -0.060 -4.152 4.019 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.347 -5.830 3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.172 -3.952 5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.697 -4.767 6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.002 -6.067 5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.897 -6.038 7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.741 -7.465 7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.983 -8.758 6.237 1.00 0.00 H new ATOM 519 N ARG A 34 -2.893 -2.558 3.980 1.00 0.00 N ATOM 520 CA ARG A 34 -3.906 -1.541 3.707 1.00 0.00 C ATOM 521 C ARG A 34 -4.338 -1.584 2.243 1.00 0.00 C ATOM 522 O ARG A 34 -5.517 -1.415 1.931 1.00 0.00 O ATOM 523 CB ARG A 34 -3.397 -0.145 4.075 1.00 0.00 C ATOM 524 CG ARG A 34 -2.199 0.309 3.275 1.00 0.00 C ATOM 525 CD ARG A 34 -1.902 1.775 3.531 1.00 0.00 C ATOM 526 NE ARG A 34 -1.778 2.078 4.955 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.440 3.052 5.578 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.277 3.837 4.911 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.258 3.246 6.877 1.00 0.00 N ATOM 0 H ARG A 34 -1.982 -2.188 4.253 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.774 -1.760 4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.206 0.572 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.138 -0.132 5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.330 -0.294 3.539 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.385 0.151 2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.978 2.050 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.697 2.384 3.101 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.142 1.505 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.419 3.698 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.778 4.579 5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.613 2.650 7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.763 3.991 7.357 1.00 0.00 H new ATOM 543 N LEU A 35 -3.382 -1.824 1.345 1.00 0.00 N ATOM 544 CA LEU A 35 -3.683 -1.903 -0.081 1.00 0.00 C ATOM 545 C LEU A 35 -4.544 -3.125 -0.370 1.00 0.00 C ATOM 546 O LEU A 35 -5.597 -3.021 -0.999 1.00 0.00 O ATOM 547 CB LEU A 35 -2.395 -1.986 -0.901 1.00 0.00 C ATOM 548 CG LEU A 35 -1.503 -0.749 -0.863 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.194 -1.045 -1.566 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.195 0.438 -1.511 1.00 0.00 C ATOM 0 H LEU A 35 -2.400 -1.966 1.579 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.226 -1.001 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.816 -2.839 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.660 -2.188 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.303 -0.493 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.442 -0.160 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.310 -1.871 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.391 -1.317 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.539 1.308 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.424 0.203 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.120 0.656 -0.977 1.00 0.00 H new ATOM 562 N ILE A 36 -4.093 -4.283 0.109 1.00 0.00 N ATOM 563 CA ILE A 36 -4.826 -5.527 -0.086 1.00 0.00 C ATOM 564 C ILE A 36 -6.263 -5.376 0.404 1.00 0.00 C ATOM 565 O ILE A 36 -7.199 -5.889 -0.208 1.00 0.00 O ATOM 566 CB ILE A 36 -4.143 -6.701 0.651 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.837 -7.085 -0.049 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.070 -7.908 0.731 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.967 -8.009 0.774 1.00 0.00 C ATOM 0 H ILE A 36 -3.224 -4.383 0.634 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.830 -5.748 -1.153 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.916 -6.375 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.070 -7.566 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.276 -6.179 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.565 -8.720 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.976 -7.636 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.332 -8.233 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.058 -8.242 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.705 -7.522 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.511 -8.930 0.983 1.00 0.00 H new ATOM 581 N LYS A 37 -6.427 -4.647 1.503 1.00 0.00 N ATOM 582 CA LYS A 37 -7.744 -4.403 2.066 1.00 0.00 C ATOM 583 C LYS A 37 -8.505 -3.426 1.184 1.00 0.00 C ATOM 584 O LYS A 37 -9.730 -3.490 1.074 1.00 0.00 O ATOM 585 CB LYS A 37 -7.626 -3.847 3.487 1.00 0.00 C ATOM 586 CG LYS A 37 -7.360 -4.914 4.537 1.00 0.00 C ATOM 587 CD LYS A 37 -7.369 -4.329 5.940 1.00 0.00 C ATOM 588 CE LYS A 37 -5.959 -4.120 6.466 1.00 0.00 C ATOM 589 NZ LYS A 37 -5.434 -5.335 7.147 1.00 0.00 N ATOM 0 H LYS A 37 -5.661 -4.216 2.020 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.288 -5.347 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.821 -3.112 3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.547 -3.321 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.116 -5.696 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.396 -5.384 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.901 -3.378 5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.913 -4.995 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.299 -3.853 5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.952 -3.282 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.470 -5.151 7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.049 -5.575 7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.416 -6.129 6.475 1.00 0.00 H new ATOM 603 N ASP A 38 -7.764 -2.520 0.552 1.00 0.00 N ATOM 604 CA ASP A 38 -8.357 -1.528 -0.326 1.00 0.00 C ATOM 605 C ASP A 38 -8.874 -2.177 -1.604 1.00 0.00 C ATOM 606 O ASP A 38 -9.968 -1.865 -2.075 1.00 0.00 O ATOM 607 CB ASP A 38 -7.334 -0.443 -0.666 1.00 0.00 C ATOM 608 CG ASP A 38 -7.991 0.869 -1.043 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.278 1.066 -2.243 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.219 1.700 -0.140 1.00 0.00 O ATOM 0 H ASP A 38 -6.749 -2.456 0.635 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.199 -1.072 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.677 -0.285 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.707 -0.783 -1.491 1.00 0.00 H new ATOM 615 N ASP A 39 -8.078 -3.085 -2.161 1.00 0.00 N ATOM 616 CA ASP A 39 -8.451 -3.784 -3.384 1.00 0.00 C ATOM 617 C ASP A 39 -9.441 -4.909 -3.091 1.00 0.00 C ATOM 618 O ASP A 39 -10.215 -5.307 -3.960 1.00 0.00 O ATOM 619 CB ASP A 39 -7.205 -4.352 -4.071 1.00 0.00 C ATOM 620 CG ASP A 39 -6.712 -3.471 -5.205 1.00 0.00 C ATOM 621 OD1 ASP A 39 -5.614 -3.746 -5.734 1.00 0.00 O ATOM 622 OD2 ASP A 39 -7.421 -2.508 -5.563 1.00 0.00 O ATOM 0 H ASP A 39 -7.169 -3.353 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.932 -3.067 -4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.410 -4.469 -3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.429 -5.346 -4.459 1.00 0.00 H new ATOM 627 N GLU A 40 -9.410 -5.415 -1.862 1.00 0.00 N ATOM 628 CA GLU A 40 -10.305 -6.493 -1.458 1.00 0.00 C ATOM 629 C GLU A 40 -11.724 -5.977 -1.250 1.00 0.00 C ATOM 630 O GLU A 40 -12.685 -6.744 -1.307 1.00 0.00 O ATOM 631 CB GLU A 40 -9.797 -7.163 -0.181 1.00 0.00 C ATOM 632 CG GLU A 40 -8.841 -8.316 -0.439 1.00 0.00 C ATOM 633 CD GLU A 40 -8.531 -9.109 0.816 1.00 0.00 C ATOM 634 OE1 GLU A 40 -8.986 -10.267 0.915 1.00 0.00 O ATOM 635 OE2 GLU A 40 -7.832 -8.570 1.700 1.00 0.00 O ATOM 0 H GLU A 40 -8.776 -5.096 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.322 -7.231 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.296 -6.417 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.649 -7.529 0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.273 -8.981 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.913 -7.927 -0.857 1.00 0.00 H new