USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 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 164:sc= -1.7! USER MOD Single : A 12 GLN :FLIP amide:sc= -2.71! F(o=-3.5,f=-2.7!) 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 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 0.382 (180deg=0.229) USER MOD Single : A 29 ASN : amide:sc= -1.44 X(o=-1.4,f=-0.96) USER MOD Single : A 33 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.32) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.948 -6.701 -2.930 1.00 0.00 N ATOM 43 CA TYR A 5 2.812 -5.563 -2.641 1.00 0.00 C ATOM 44 C TYR A 5 3.982 -5.970 -1.755 1.00 0.00 C ATOM 45 O TYR A 5 5.044 -5.348 -1.786 1.00 0.00 O ATOM 46 CB TYR A 5 2.021 -4.454 -1.956 1.00 0.00 C ATOM 47 CG TYR A 5 0.753 -4.075 -2.675 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.769 -3.119 -3.679 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.463 -4.659 -2.343 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.385 -2.754 -4.331 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.624 -4.301 -2.991 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.583 -3.345 -3.985 1.00 0.00 C ATOM 53 OH TYR A 5 -2.740 -2.983 -4.637 1.00 0.00 O ATOM 0 HA TYR A 5 3.203 -5.198 -3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.772 -4.771 -0.943 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.654 -3.571 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.704 -2.653 -3.954 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.498 -5.406 -1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.354 -2.008 -5.111 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.561 -4.766 -2.723 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.494 -3.494 -4.274 1.00 0.00 H new ATOM 63 N SER A 6 3.780 -7.019 -0.968 1.00 0.00 N ATOM 64 CA SER A 6 4.814 -7.515 -0.073 1.00 0.00 C ATOM 65 C SER A 6 6.129 -7.729 -0.823 1.00 0.00 C ATOM 66 O SER A 6 7.207 -7.692 -0.230 1.00 0.00 O ATOM 67 CB SER A 6 4.350 -8.813 0.586 1.00 0.00 C ATOM 68 OG SER A 6 5.348 -9.341 1.442 1.00 0.00 O ATOM 0 H SER A 6 2.906 -7.543 -0.932 1.00 0.00 H new ATOM 0 HA SER A 6 4.991 -6.770 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.439 -8.629 1.156 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.102 -9.545 -0.182 1.00 0.00 H new ATOM 0 HG SER A 6 5.023 -10.170 1.851 1.00 0.00 H new ATOM 74 N SER A 7 6.031 -7.938 -2.134 1.00 0.00 N ATOM 75 CA SER A 7 7.209 -8.138 -2.971 1.00 0.00 C ATOM 76 C SER A 7 7.596 -6.836 -3.672 1.00 0.00 C ATOM 77 O SER A 7 8.761 -6.620 -4.003 1.00 0.00 O ATOM 78 CB SER A 7 6.945 -9.232 -4.007 1.00 0.00 C ATOM 79 OG SER A 7 5.917 -8.849 -4.904 1.00 0.00 O ATOM 0 H SER A 7 5.146 -7.973 -2.639 1.00 0.00 H new ATOM 0 HA SER A 7 8.035 -8.449 -2.332 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.859 -9.438 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.665 -10.156 -3.501 1.00 0.00 H new ATOM 0 HG SER A 7 5.769 -9.565 -5.557 1.00 0.00 H new ATOM 85 N LEU A 8 6.606 -5.971 -3.889 1.00 0.00 N ATOM 86 CA LEU A 8 6.832 -4.684 -4.542 1.00 0.00 C ATOM 87 C LEU A 8 7.881 -3.872 -3.789 1.00 0.00 C ATOM 88 O LEU A 8 8.573 -4.393 -2.913 1.00 0.00 O ATOM 89 CB LEU A 8 5.519 -3.895 -4.611 1.00 0.00 C ATOM 90 CG LEU A 8 4.927 -3.721 -6.012 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.754 -4.664 -6.212 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.490 -2.279 -6.231 1.00 0.00 C ATOM 0 H LEU A 8 5.637 -6.140 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 8 7.197 -4.871 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.781 -4.395 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.686 -2.907 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 8 5.697 -3.964 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.344 -4.528 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.091 -5.694 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.983 -4.448 -5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.072 -2.174 -7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.735 -2.011 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.350 -1.618 -6.126 1.00 0.00 H new ATOM 104 N THR A 9 7.983 -2.588 -4.119 1.00 0.00 N ATOM 105 CA THR A 9 8.934 -1.705 -3.457 1.00 0.00 C ATOM 106 C THR A 9 8.200 -0.661 -2.629 1.00 0.00 C ATOM 107 O THR A 9 7.050 -0.323 -2.909 1.00 0.00 O ATOM 108 CB THR A 9 9.854 -1.010 -4.468 1.00 0.00 C ATOM 109 OG1 THR A 9 10.279 0.251 -3.970 1.00 0.00 O ATOM 110 CG2 THR A 9 9.213 -0.774 -5.820 1.00 0.00 C ATOM 0 H THR A 9 7.419 -2.138 -4.840 1.00 0.00 H new ATOM 0 HA THR A 9 9.551 -2.319 -2.801 1.00 0.00 H new ATOM 0 HB THR A 9 10.692 -1.693 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.050 0.564 -4.488 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.926 -0.279 -6.479 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.919 -1.729 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.332 -0.144 -5.700 1.00 0.00 H new ATOM 118 N VAL A 10 8.875 -0.151 -1.612 1.00 0.00 N ATOM 119 CA VAL A 10 8.294 0.858 -0.741 1.00 0.00 C ATOM 120 C VAL A 10 7.893 2.097 -1.527 1.00 0.00 C ATOM 121 O VAL A 10 6.916 2.758 -1.193 1.00 0.00 O ATOM 122 CB VAL A 10 9.284 1.281 0.356 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.513 0.145 1.342 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.593 1.737 -0.272 1.00 0.00 C ATOM 0 H VAL A 10 9.828 -0.420 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 10 7.411 0.410 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 10 8.859 2.118 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.217 0.466 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.567 -0.128 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.920 -0.718 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.289 2.035 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.025 0.919 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.405 2.585 -0.931 1.00 0.00 H new ATOM 134 N VAL A 11 8.659 2.409 -2.567 1.00 0.00 N ATOM 135 CA VAL A 11 8.385 3.581 -3.387 1.00 0.00 C ATOM 136 C VAL A 11 7.071 3.437 -4.142 1.00 0.00 C ATOM 137 O VAL A 11 6.254 4.359 -4.176 1.00 0.00 O ATOM 138 CB VAL A 11 9.531 3.846 -4.388 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.873 3.780 -3.680 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.493 2.855 -5.543 1.00 0.00 C ATOM 0 H VAL A 11 9.472 1.868 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 11 8.307 4.431 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 11 9.396 4.847 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.672 3.969 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.906 4.533 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.005 2.791 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.312 3.067 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.597 1.841 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.543 2.947 -6.070 1.00 0.00 H new ATOM 150 N GLN A 12 6.870 2.272 -4.739 1.00 0.00 N ATOM 151 CA GLN A 12 5.652 2.012 -5.488 1.00 0.00 C ATOM 152 C GLN A 12 4.488 1.821 -4.540 1.00 0.00 C ATOM 153 O GLN A 12 3.388 2.317 -4.777 1.00 0.00 O ATOM 154 CB GLN A 12 5.809 0.775 -6.372 1.00 0.00 C ATOM 155 CG GLN A 12 6.077 1.100 -7.831 1.00 0.00 C ATOM 156 CD GLN A 12 7.488 1.602 -8.070 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.441 0.680 -8.140 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 7.718 2.806 -8.192 1.00 0.00 N flip ATOM 0 H GLN A 12 7.531 1.496 -4.719 1.00 0.00 H new ATOM 0 HA GLN A 12 5.457 2.872 -6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.627 0.166 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.903 0.172 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.906 0.209 -8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.366 1.854 -8.167 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.955 3.480 -8.131 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.672 3.129 -8.354 1.00 0.00 H new ATOM 167 N LEU A 13 4.742 1.089 -3.465 1.00 0.00 N ATOM 168 CA LEU A 13 3.719 0.817 -2.473 1.00 0.00 C ATOM 169 C LEU A 13 3.114 2.108 -1.929 1.00 0.00 C ATOM 170 O LEU A 13 1.903 2.302 -1.983 1.00 0.00 O ATOM 171 CB LEU A 13 4.283 -0.029 -1.331 1.00 0.00 C ATOM 172 CG LEU A 13 3.843 -1.497 -1.341 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.952 -2.385 -1.883 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.438 -1.944 0.056 1.00 0.00 C ATOM 0 H LEU A 13 5.651 0.673 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 13 2.925 0.254 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.372 0.010 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.984 0.419 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 13 2.977 -1.589 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.620 -3.423 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.195 -2.083 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.837 -2.286 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.129 -2.989 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.285 -1.834 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.610 -1.330 0.409 1.00 0.00 H new ATOM 186 N LYS A 14 3.953 2.991 -1.401 1.00 0.00 N ATOM 187 CA LYS A 14 3.460 4.246 -0.853 1.00 0.00 C ATOM 188 C LYS A 14 2.985 5.189 -1.957 1.00 0.00 C ATOM 189 O LYS A 14 2.074 5.987 -1.743 1.00 0.00 O ATOM 190 CB LYS A 14 4.519 4.928 0.011 1.00 0.00 C ATOM 191 CG LYS A 14 5.867 5.096 -0.670 1.00 0.00 C ATOM 192 CD LYS A 14 6.261 6.558 -0.818 1.00 0.00 C ATOM 193 CE LYS A 14 6.058 7.340 0.473 1.00 0.00 C ATOM 194 NZ LYS A 14 6.897 8.570 0.515 1.00 0.00 N ATOM 0 H LYS A 14 4.963 2.864 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 14 2.605 4.007 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.151 5.910 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.656 4.348 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.630 4.573 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.835 4.629 -1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.306 6.622 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.671 7.013 -1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.007 7.614 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.302 6.705 1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.730 9.074 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.901 8.308 0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.647 9.188 -0.283 1.00 0.00 H new ATOM 208 N ASP A 15 3.589 5.092 -3.139 1.00 0.00 N ATOM 209 CA ASP A 15 3.191 5.943 -4.255 1.00 0.00 C ATOM 210 C ASP A 15 1.760 5.617 -4.672 1.00 0.00 C ATOM 211 O ASP A 15 0.900 6.500 -4.765 1.00 0.00 O ATOM 212 CB ASP A 15 4.146 5.753 -5.438 1.00 0.00 C ATOM 213 CG ASP A 15 3.767 6.605 -6.636 1.00 0.00 C ATOM 214 OD1 ASP A 15 4.435 6.486 -7.684 1.00 0.00 O ATOM 215 OD2 ASP A 15 2.802 7.391 -6.525 1.00 0.00 O ATOM 0 H ASP A 15 4.346 4.441 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 15 3.238 6.985 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.160 6.002 -5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.152 4.703 -5.731 1.00 0.00 H new ATOM 220 N LEU A 16 1.501 4.337 -4.892 1.00 0.00 N ATOM 221 CA LEU A 16 0.175 3.890 -5.267 1.00 0.00 C ATOM 222 C LEU A 16 -0.780 4.122 -4.103 1.00 0.00 C ATOM 223 O LEU A 16 -1.970 4.384 -4.293 1.00 0.00 O ATOM 224 CB LEU A 16 0.214 2.409 -5.685 1.00 0.00 C ATOM 225 CG LEU A 16 -0.356 1.394 -4.680 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.146 0.314 -5.396 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.761 0.769 -3.861 1.00 0.00 C ATOM 0 H LEU A 16 2.194 3.592 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.183 4.461 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.334 2.305 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.250 2.140 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.028 1.926 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.540 -0.393 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.972 0.769 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.494 -0.211 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.338 0.054 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.456 0.256 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.291 1.549 -3.314 1.00 0.00 H new ATOM 239 N LEU A 17 -0.238 4.019 -2.892 1.00 0.00 N ATOM 240 CA LEU A 17 -1.025 4.208 -1.686 1.00 0.00 C ATOM 241 C LEU A 17 -1.692 5.570 -1.677 1.00 0.00 C ATOM 242 O LEU A 17 -2.917 5.675 -1.595 1.00 0.00 O ATOM 243 CB LEU A 17 -0.119 4.099 -0.467 1.00 0.00 C ATOM 244 CG LEU A 17 0.003 2.708 0.127 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.062 2.701 1.220 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.346 2.252 0.655 1.00 0.00 C ATOM 0 H LEU A 17 0.745 3.805 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.796 3.438 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.876 4.447 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.491 4.774 0.304 1.00 0.00 H new ATOM 0 HG LEU A 17 0.316 2.006 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.143 1.699 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.023 2.996 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.780 3.403 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.251 1.253 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.688 2.943 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.068 2.232 -0.161 1.00 0.00 H new ATOM 258 N THR A 18 -0.882 6.613 -1.793 1.00 0.00 N ATOM 259 CA THR A 18 -1.412 7.968 -1.823 1.00 0.00 C ATOM 260 C THR A 18 -2.308 8.113 -3.040 1.00 0.00 C ATOM 261 O THR A 18 -3.292 8.852 -3.020 1.00 0.00 O ATOM 262 CB THR A 18 -0.294 9.027 -1.834 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.646 10.128 -2.652 1.00 0.00 O ATOM 264 CG2 THR A 18 1.042 8.511 -2.318 1.00 0.00 C ATOM 0 H THR A 18 0.133 6.549 -1.867 1.00 0.00 H new ATOM 0 HA THR A 18 -1.989 8.139 -0.914 1.00 0.00 H new ATOM 0 HB THR A 18 -0.188 9.322 -0.790 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.078 10.788 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.774 9.318 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.375 7.700 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.941 8.142 -3.339 1.00 0.00 H new ATOM 272 N LYS A 19 -1.970 7.376 -4.097 1.00 0.00 N ATOM 273 CA LYS A 19 -2.761 7.404 -5.314 1.00 0.00 C ATOM 274 C LYS A 19 -4.198 6.959 -5.027 1.00 0.00 C ATOM 275 O LYS A 19 -5.142 7.466 -5.633 1.00 0.00 O ATOM 276 CB LYS A 19 -2.134 6.503 -6.380 1.00 0.00 C ATOM 277 CG LYS A 19 -1.386 7.270 -7.459 1.00 0.00 C ATOM 278 CD LYS A 19 -0.243 6.450 -8.034 1.00 0.00 C ATOM 279 CE LYS A 19 -0.053 6.724 -9.518 1.00 0.00 C ATOM 280 NZ LYS A 19 1.119 5.992 -10.073 1.00 0.00 N ATOM 0 H LYS A 19 -1.159 6.758 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.780 8.427 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.447 5.807 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.918 5.906 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.076 7.544 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.996 8.199 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.678 6.682 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.442 5.389 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.953 6.432 -10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.080 7.794 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.214 6.206 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.982 6.289 -9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.981 4.969 -9.946 1.00 0.00 H new ATOM 351 N SER A 23 -3.085 6.233 2.226 1.00 0.00 N ATOM 352 CA SER A 23 -1.942 6.872 2.880 1.00 0.00 C ATOM 353 C SER A 23 -0.745 5.947 2.927 1.00 0.00 C ATOM 354 O SER A 23 -0.793 4.807 2.463 1.00 0.00 O ATOM 355 CB SER A 23 -2.247 7.333 4.302 1.00 0.00 C ATOM 356 OG SER A 23 -2.891 8.595 4.310 1.00 0.00 O ATOM 0 HA SER A 23 -1.719 7.749 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.880 6.597 4.797 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.321 7.392 4.873 1.00 0.00 H new ATOM 0 HG SER A 23 -3.075 8.863 5.235 1.00 0.00 H new ATOM 362 N VAL A 24 0.332 6.464 3.490 1.00 0.00 N ATOM 363 CA VAL A 24 1.570 5.726 3.610 1.00 0.00 C ATOM 364 C VAL A 24 2.154 5.844 5.017 1.00 0.00 C ATOM 365 O VAL A 24 3.216 5.295 5.303 1.00 0.00 O ATOM 366 CB VAL A 24 2.587 6.240 2.584 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.913 6.407 1.235 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.187 7.557 3.053 1.00 0.00 C ATOM 0 H VAL A 24 0.370 7.407 3.876 1.00 0.00 H new ATOM 0 HA VAL A 24 1.354 4.675 3.418 1.00 0.00 H new ATOM 0 HB VAL A 24 3.394 5.515 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.639 6.772 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.520 5.446 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.096 7.123 1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.908 7.912 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.395 8.296 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.689 7.408 4.009 1.00 0.00 H new ATOM 378 N GLY A 25 1.455 6.560 5.897 1.00 0.00 N ATOM 379 CA GLY A 25 1.925 6.718 7.259 1.00 0.00 C ATOM 380 C GLY A 25 1.809 5.426 8.039 1.00 0.00 C ATOM 381 O GLY A 25 1.106 5.357 9.048 1.00 0.00 O ATOM 0 H GLY A 25 0.575 7.031 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.964 7.047 7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.348 7.498 7.756 1.00 0.00 H new ATOM 385 N GLY A 26 2.498 4.397 7.561 1.00 0.00 N ATOM 386 CA GLY A 26 2.465 3.106 8.207 1.00 0.00 C ATOM 387 C GLY A 26 3.759 2.349 8.000 1.00 0.00 C ATOM 388 O GLY A 26 4.674 2.442 8.814 1.00 0.00 O ATOM 0 H GLY A 26 3.084 4.439 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.285 3.236 9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.633 2.522 7.813 1.00 0.00 H new ATOM 392 N LEU A 27 3.828 1.597 6.902 1.00 0.00 N ATOM 393 CA LEU A 27 5.010 0.811 6.565 1.00 0.00 C ATOM 394 C LEU A 27 4.708 -0.140 5.416 1.00 0.00 C ATOM 395 O LEU A 27 3.551 -0.393 5.109 1.00 0.00 O ATOM 396 CB LEU A 27 5.487 0.021 7.778 1.00 0.00 C ATOM 397 CG LEU A 27 6.937 0.276 8.186 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.889 -0.317 7.162 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.201 1.768 8.355 1.00 0.00 C ATOM 0 H LEU A 27 3.069 1.517 6.225 1.00 0.00 H new ATOM 0 HA LEU A 27 5.799 1.497 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.841 0.257 8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.365 -1.042 7.571 1.00 0.00 H new ATOM 0 HG LEU A 27 7.109 -0.211 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.918 -0.126 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.725 -1.392 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.709 0.141 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.240 1.923 8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.007 2.281 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.545 2.168 9.128 1.00 0.00 H new ATOM 411 N LYS A 28 5.754 -0.662 4.783 1.00 0.00 N ATOM 412 CA LYS A 28 5.590 -1.583 3.663 1.00 0.00 C ATOM 413 C LYS A 28 4.612 -2.711 3.996 1.00 0.00 C ATOM 414 O LYS A 28 3.596 -2.878 3.323 1.00 0.00 O ATOM 415 CB LYS A 28 6.944 -2.171 3.263 1.00 0.00 C ATOM 416 CG LYS A 28 7.110 -2.354 1.762 1.00 0.00 C ATOM 417 CD LYS A 28 8.314 -3.225 1.438 1.00 0.00 C ATOM 418 CE LYS A 28 8.519 -3.356 -0.062 1.00 0.00 C ATOM 419 NZ LYS A 28 9.901 -3.794 -0.399 1.00 0.00 N ATOM 0 H LYS A 28 6.724 -0.463 5.026 1.00 0.00 H new ATOM 0 HA LYS A 28 5.177 -1.017 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.736 -1.519 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.071 -3.136 3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.209 -2.807 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.225 -1.380 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.207 -2.796 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.177 -4.214 1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.803 -4.073 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.315 -2.398 -0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.925 -4.146 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.553 -2.989 -0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.192 -4.553 0.249 1.00 0.00 H new ATOM 433 N ASN A 29 4.914 -3.476 5.043 1.00 0.00 N ATOM 434 CA ASN A 29 4.050 -4.580 5.451 1.00 0.00 C ATOM 435 C ASN A 29 2.628 -4.087 5.659 1.00 0.00 C ATOM 436 O ASN A 29 1.661 -4.686 5.182 1.00 0.00 O ATOM 437 CB ASN A 29 4.576 -5.223 6.737 1.00 0.00 C ATOM 438 CG ASN A 29 4.916 -4.197 7.800 1.00 0.00 C ATOM 439 OD1 ASN A 29 6.056 -3.744 7.900 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.925 -3.823 8.600 1.00 0.00 N ATOM 0 H ASN A 29 5.745 -3.352 5.621 1.00 0.00 H new ATOM 0 HA ASN A 29 4.051 -5.330 4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.827 -5.912 7.128 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.464 -5.813 6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.094 -3.134 9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.995 -4.224 8.482 1.00 0.00 H new ATOM 447 N GLU A 30 2.515 -2.972 6.357 1.00 0.00 N ATOM 448 CA GLU A 30 1.231 -2.367 6.621 1.00 0.00 C ATOM 449 C GLU A 30 0.652 -1.791 5.329 1.00 0.00 C ATOM 450 O GLU A 30 -0.566 -1.720 5.161 1.00 0.00 O ATOM 451 CB GLU A 30 1.392 -1.326 7.731 1.00 0.00 C ATOM 452 CG GLU A 30 1.331 0.113 7.274 1.00 0.00 C ATOM 453 CD GLU A 30 -0.065 0.691 7.378 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.948 0.247 6.615 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.278 1.583 8.226 1.00 0.00 O ATOM 0 H GLU A 30 3.307 -2.466 6.753 1.00 0.00 H new ATOM 0 HA GLU A 30 0.515 -3.109 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.612 -1.488 8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.347 -1.493 8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.015 0.712 7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.673 0.179 6.241 1.00 0.00 H new ATOM 462 N TRP A 31 1.537 -1.400 4.409 1.00 0.00 N ATOM 463 CA TRP A 31 1.115 -0.854 3.128 1.00 0.00 C ATOM 464 C TRP A 31 0.443 -1.939 2.302 1.00 0.00 C ATOM 465 O TRP A 31 -0.658 -1.748 1.791 1.00 0.00 O ATOM 466 CB TRP A 31 2.309 -0.257 2.375 1.00 0.00 C ATOM 467 CG TRP A 31 2.798 1.018 2.989 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.179 1.726 3.976 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.001 1.735 2.674 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.916 2.836 4.293 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.039 2.863 3.513 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.049 1.537 1.769 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.079 3.786 3.479 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.082 2.460 1.734 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.090 3.570 2.586 1.00 0.00 C ATOM 0 H TRP A 31 2.548 -1.453 4.532 1.00 0.00 H new ATOM 0 HA TRP A 31 0.397 -0.053 3.305 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.122 -0.983 2.357 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.025 -0.071 1.339 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.243 1.451 4.440 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.667 3.531 4.997 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.053 0.681 1.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.087 4.643 4.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.895 2.320 1.037 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.911 4.270 2.537 1.00 0.00 H new ATOM 486 N VAL A 32 1.096 -3.092 2.197 1.00 0.00 N ATOM 487 CA VAL A 32 0.530 -4.208 1.455 1.00 0.00 C ATOM 488 C VAL A 32 -0.780 -4.641 2.101 1.00 0.00 C ATOM 489 O VAL A 32 -1.729 -5.020 1.415 1.00 0.00 O ATOM 490 CB VAL A 32 1.499 -5.412 1.378 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.876 -5.905 2.766 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.889 -6.539 0.554 1.00 0.00 C ATOM 0 H VAL A 32 2.009 -3.275 2.613 1.00 0.00 H new ATOM 0 HA VAL A 32 0.351 -3.868 0.435 1.00 0.00 H new ATOM 0 HB VAL A 32 2.411 -5.077 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.557 -6.751 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.364 -5.101 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.977 -6.216 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.585 -7.377 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.043 -6.865 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.687 -6.183 -0.456 1.00 0.00 H new ATOM 502 N GLN A 33 -0.829 -4.563 3.429 1.00 0.00 N ATOM 503 CA GLN A 33 -2.029 -4.927 4.170 1.00 0.00 C ATOM 504 C GLN A 33 -3.170 -3.962 3.855 1.00 0.00 C ATOM 505 O GLN A 33 -4.283 -4.385 3.540 1.00 0.00 O ATOM 506 CB GLN A 33 -1.746 -4.932 5.673 1.00 0.00 C ATOM 507 CG GLN A 33 -0.972 -6.152 6.144 1.00 0.00 C ATOM 508 CD GLN A 33 -1.616 -7.455 5.713 1.00 0.00 C ATOM 509 OE1 GLN A 33 -2.640 -7.865 6.259 1.00 0.00 O ATOM 510 NE2 GLN A 33 -1.017 -8.113 4.727 1.00 0.00 N ATOM 0 H GLN A 33 -0.052 -4.251 4.011 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.328 -5.930 3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.184 -4.034 5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.692 -4.882 6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.044 -6.106 5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.895 -6.131 7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.169 -7.736 4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.405 -8.996 4.394 1.00 0.00 H new ATOM 519 N ARG A 34 -2.888 -2.660 3.936 1.00 0.00 N ATOM 520 CA ARG A 34 -3.897 -1.644 3.653 1.00 0.00 C ATOM 521 C ARG A 34 -4.316 -1.697 2.185 1.00 0.00 C ATOM 522 O ARG A 34 -5.501 -1.592 1.866 1.00 0.00 O ATOM 523 CB ARG A 34 -3.383 -0.247 4.011 1.00 0.00 C ATOM 524 CG ARG A 34 -2.165 0.179 3.225 1.00 0.00 C ATOM 525 CD ARG A 34 -1.857 1.645 3.461 1.00 0.00 C ATOM 526 NE ARG A 34 -1.752 1.968 4.880 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.371 2.996 5.464 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.136 3.818 4.755 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.218 3.206 6.764 1.00 0.00 N ATOM 0 H ARG A 34 -1.974 -2.288 4.194 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.770 -1.855 4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.181 0.476 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.144 -0.220 5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.308 -0.429 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.333 0.005 2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.923 1.902 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.639 2.255 3.009 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.168 1.369 5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.255 3.667 3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.604 4.600 5.212 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.628 2.583 7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.690 3.991 7.213 1.00 0.00 H new ATOM 543 N LEU A 35 -3.342 -1.876 1.296 1.00 0.00 N ATOM 544 CA LEU A 35 -3.621 -1.960 -0.133 1.00 0.00 C ATOM 545 C LEU A 35 -4.501 -3.166 -0.423 1.00 0.00 C ATOM 546 O LEU A 35 -5.547 -3.049 -1.060 1.00 0.00 O ATOM 547 CB LEU A 35 -2.321 -2.075 -0.931 1.00 0.00 C ATOM 548 CG LEU A 35 -1.420 -0.843 -0.907 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.117 -1.148 -1.618 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.111 0.340 -1.555 1.00 0.00 C ATOM 0 H LEU A 35 -2.356 -1.965 1.540 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.140 -1.050 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.755 -2.924 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.571 -2.300 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.208 -0.584 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.523 -0.266 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.387 -1.973 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.323 -1.424 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.451 1.207 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.350 0.099 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.030 0.566 -1.014 1.00 0.00 H new ATOM 562 N ILE A 36 -4.075 -4.326 0.070 1.00 0.00 N ATOM 563 CA ILE A 36 -4.828 -5.558 -0.119 1.00 0.00 C ATOM 564 C ILE A 36 -6.251 -5.384 0.402 1.00 0.00 C ATOM 565 O ILE A 36 -7.208 -5.896 -0.181 1.00 0.00 O ATOM 566 CB ILE A 36 -4.146 -6.745 0.598 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.845 -7.117 -0.117 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.076 -7.951 0.663 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.948 -8.023 0.698 1.00 0.00 C ATOM 0 H ILE A 36 -3.212 -4.436 0.603 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.857 -5.777 -1.186 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.915 -6.439 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.085 -7.609 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.301 -6.205 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.572 -8.772 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.980 -7.684 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.342 -8.260 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.044 -8.246 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.678 -7.525 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.475 -8.951 0.922 1.00 0.00 H new ATOM 581 N LYS A 37 -6.380 -4.633 1.490 1.00 0.00 N ATOM 582 CA LYS A 37 -7.679 -4.361 2.077 1.00 0.00 C ATOM 583 C LYS A 37 -8.448 -3.391 1.194 1.00 0.00 C ATOM 584 O LYS A 37 -9.675 -3.441 1.113 1.00 0.00 O ATOM 585 CB LYS A 37 -7.523 -3.781 3.484 1.00 0.00 C ATOM 586 CG LYS A 37 -8.620 -4.209 4.445 1.00 0.00 C ATOM 587 CD LYS A 37 -8.680 -3.301 5.663 1.00 0.00 C ATOM 588 CE LYS A 37 -10.020 -3.408 6.372 1.00 0.00 C ATOM 589 NZ LYS A 37 -10.161 -4.700 7.102 1.00 0.00 N ATOM 0 H LYS A 37 -5.597 -4.203 1.981 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.233 -5.297 2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.558 -4.086 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.512 -2.693 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.581 -4.194 3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.445 -5.236 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.879 -3.564 6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.510 -2.269 5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.126 -2.581 7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.825 -3.313 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.088 -4.734 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.085 -5.489 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.408 -4.780 7.815 1.00 0.00 H new ATOM 603 N ASP A 38 -7.708 -2.507 0.527 1.00 0.00 N ATOM 604 CA ASP A 38 -8.312 -1.525 -0.356 1.00 0.00 C ATOM 605 C ASP A 38 -8.849 -2.192 -1.617 1.00 0.00 C ATOM 606 O ASP A 38 -9.962 -1.906 -2.058 1.00 0.00 O ATOM 607 CB ASP A 38 -7.290 -0.450 -0.726 1.00 0.00 C ATOM 608 CG ASP A 38 -7.951 0.857 -1.118 1.00 0.00 C ATOM 609 OD1 ASP A 38 -7.700 1.336 -2.244 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.723 1.400 -0.299 1.00 0.00 O ATOM 0 H ASP A 38 -6.691 -2.455 0.585 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.145 -1.058 0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.623 -0.279 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.674 -0.806 -1.552 1.00 0.00 H new ATOM 615 N ASP A 39 -8.050 -3.087 -2.189 1.00 0.00 N ATOM 616 CA ASP A 39 -8.443 -3.801 -3.397 1.00 0.00 C ATOM 617 C ASP A 39 -9.509 -4.847 -3.087 1.00 0.00 C ATOM 618 O ASP A 39 -10.322 -5.193 -3.943 1.00 0.00 O ATOM 619 CB ASP A 39 -7.225 -4.471 -4.037 1.00 0.00 C ATOM 620 CG ASP A 39 -7.537 -5.057 -5.400 1.00 0.00 C ATOM 621 OD1 ASP A 39 -7.158 -4.435 -6.414 1.00 0.00 O ATOM 622 OD2 ASP A 39 -8.159 -6.139 -5.452 1.00 0.00 O ATOM 0 H ASP A 39 -7.126 -3.335 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.861 -3.078 -4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.421 -3.741 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.861 -5.261 -3.380 1.00 0.00 H new ATOM 627 N GLU A 40 -9.500 -5.346 -1.854 1.00 0.00 N ATOM 628 CA GLU A 40 -10.468 -6.349 -1.428 1.00 0.00 C ATOM 629 C GLU A 40 -11.848 -5.731 -1.243 1.00 0.00 C ATOM 630 O GLU A 40 -12.861 -6.429 -1.284 1.00 0.00 O ATOM 631 CB GLU A 40 -10.012 -7.015 -0.128 1.00 0.00 C ATOM 632 CG GLU A 40 -9.045 -8.168 -0.342 1.00 0.00 C ATOM 633 CD GLU A 40 -9.750 -9.503 -0.475 1.00 0.00 C ATOM 634 OE1 GLU A 40 -9.096 -10.545 -0.261 1.00 0.00 O ATOM 635 OE2 GLU A 40 -10.958 -9.507 -0.795 1.00 0.00 O ATOM 0 H GLU A 40 -8.833 -5.071 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.533 -7.107 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.537 -6.267 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.887 -7.380 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.456 -7.981 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.347 -8.212 0.494 1.00 0.00 H new