USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 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 Set 1.1: A 29 ASN : amide:sc= -0.986 K(o=-4.2,f=-6.5!) USER MOD Set 1.2: A 33 GLN : amide:sc= -3.23 X(o=-4.2,f=-4.7!) 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= 0.00106 USER MOD Single : A 9 THR OG1 : rot 162:sc= -1.6! USER MOD Single : A 12 GLN :FLIP amide:sc= -0.596 F(o=-1.7,f=-0.6) 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 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -125:sc= 0.052 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= -0.214 (180deg=-0.893) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.970 -6.758 -2.914 1.00 0.00 N ATOM 43 CA TYR A 5 2.801 -5.599 -2.611 1.00 0.00 C ATOM 44 C TYR A 5 4.009 -5.993 -1.773 1.00 0.00 C ATOM 45 O TYR A 5 5.060 -5.355 -1.837 1.00 0.00 O ATOM 46 CB TYR A 5 1.983 -4.548 -1.870 1.00 0.00 C ATOM 47 CG TYR A 5 0.713 -4.166 -2.584 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.718 -3.182 -3.560 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.493 -4.786 -2.280 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.438 -2.823 -4.213 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.656 -4.433 -2.928 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.627 -3.448 -3.895 1.00 0.00 C ATOM 53 OH TYR A 5 -2.785 -3.091 -4.547 1.00 0.00 O ATOM 0 HA TYR A 5 3.157 -5.185 -3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.734 -4.925 -0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.594 -3.656 -1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.645 -2.689 -3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.519 -5.557 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.416 -2.055 -4.972 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.586 -4.924 -2.681 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.531 -3.627 -4.206 1.00 0.00 H new ATOM 63 N SER A 6 3.850 -7.052 -0.988 1.00 0.00 N ATOM 64 CA SER A 6 4.922 -7.540 -0.135 1.00 0.00 C ATOM 65 C SER A 6 6.208 -7.738 -0.936 1.00 0.00 C ATOM 66 O SER A 6 7.308 -7.678 -0.389 1.00 0.00 O ATOM 67 CB SER A 6 4.496 -8.848 0.530 1.00 0.00 C ATOM 68 OG SER A 6 5.294 -9.128 1.666 1.00 0.00 O ATOM 0 H SER A 6 2.985 -7.589 -0.926 1.00 0.00 H new ATOM 0 HA SER A 6 5.121 -6.797 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.448 -8.785 0.825 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.577 -9.666 -0.186 1.00 0.00 H new ATOM 0 HG SER A 6 4.999 -9.969 2.073 1.00 0.00 H new ATOM 74 N SER A 7 6.058 -7.957 -2.241 1.00 0.00 N ATOM 75 CA SER A 7 7.204 -8.145 -3.123 1.00 0.00 C ATOM 76 C SER A 7 7.572 -6.829 -3.808 1.00 0.00 C ATOM 77 O SER A 7 8.728 -6.608 -4.168 1.00 0.00 O ATOM 78 CB SER A 7 6.896 -9.213 -4.174 1.00 0.00 C ATOM 79 OG SER A 7 5.679 -8.935 -4.844 1.00 0.00 O ATOM 0 H SER A 7 5.153 -8.008 -2.709 1.00 0.00 H new ATOM 0 HA SER A 7 8.051 -8.476 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.710 -9.261 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.836 -10.191 -3.696 1.00 0.00 H new ATOM 0 HG SER A 7 5.506 -9.632 -5.511 1.00 0.00 H new ATOM 85 N LEU A 8 6.579 -5.958 -3.977 1.00 0.00 N ATOM 86 CA LEU A 8 6.789 -4.659 -4.610 1.00 0.00 C ATOM 87 C LEU A 8 7.851 -3.859 -3.858 1.00 0.00 C ATOM 88 O LEU A 8 8.583 -4.406 -3.032 1.00 0.00 O ATOM 89 CB LEU A 8 5.472 -3.875 -4.645 1.00 0.00 C ATOM 90 CG LEU A 8 4.856 -3.687 -6.035 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.687 -4.637 -6.226 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.404 -2.246 -6.230 1.00 0.00 C ATOM 0 H LEU A 8 5.618 -6.130 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 8 7.136 -4.823 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.747 -4.386 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.642 -2.892 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 8 5.616 -3.913 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.259 -4.492 -7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.034 -5.666 -6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.928 -4.436 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.969 -2.132 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.658 -1.993 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.261 -1.579 -6.130 1.00 0.00 H new ATOM 104 N THR A 9 7.925 -2.561 -4.138 1.00 0.00 N ATOM 105 CA THR A 9 8.890 -1.693 -3.475 1.00 0.00 C ATOM 106 C THR A 9 8.180 -0.674 -2.594 1.00 0.00 C ATOM 107 O THR A 9 7.019 -0.340 -2.823 1.00 0.00 O ATOM 108 CB THR A 9 9.773 -0.972 -4.499 1.00 0.00 C ATOM 109 OG1 THR A 9 10.242 0.262 -3.975 1.00 0.00 O ATOM 110 CG2 THR A 9 9.071 -0.676 -5.807 1.00 0.00 C ATOM 0 H THR A 9 7.329 -2.089 -4.818 1.00 0.00 H new ATOM 0 HA THR A 9 9.525 -2.319 -2.848 1.00 0.00 H new ATOM 0 HB THR A 9 10.595 -1.660 -4.699 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.013 0.567 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.758 -0.165 -6.481 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.742 -1.610 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.206 -0.040 -5.620 1.00 0.00 H new ATOM 118 N VAL A 10 8.890 -0.180 -1.590 1.00 0.00 N ATOM 119 CA VAL A 10 8.333 0.805 -0.675 1.00 0.00 C ATOM 120 C VAL A 10 7.906 2.060 -1.421 1.00 0.00 C ATOM 121 O VAL A 10 6.960 2.733 -1.023 1.00 0.00 O ATOM 122 CB VAL A 10 9.352 1.206 0.405 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.560 0.073 1.399 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.667 1.614 -0.241 1.00 0.00 C ATOM 0 H VAL A 10 9.854 -0.446 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 10 7.467 0.342 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 10 8.959 2.061 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.285 0.379 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.612 -0.166 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.932 -0.807 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.381 1.896 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.066 0.777 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.499 2.462 -0.905 1.00 0.00 H new ATOM 134 N VAL A 11 8.617 2.372 -2.500 1.00 0.00 N ATOM 135 CA VAL A 11 8.321 3.555 -3.296 1.00 0.00 C ATOM 136 C VAL A 11 7.026 3.387 -4.078 1.00 0.00 C ATOM 137 O VAL A 11 6.198 4.297 -4.141 1.00 0.00 O ATOM 138 CB VAL A 11 9.473 3.874 -4.273 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.807 3.797 -3.557 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.459 2.929 -5.468 1.00 0.00 C ATOM 0 H VAL A 11 9.403 1.820 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 11 8.207 4.386 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 11 9.329 4.889 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.610 4.024 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.824 4.518 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.948 2.793 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.282 3.178 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.572 1.902 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.513 3.030 -6.001 1.00 0.00 H new ATOM 150 N GLN A 12 6.856 2.213 -4.668 1.00 0.00 N ATOM 151 CA GLN A 12 5.662 1.924 -5.445 1.00 0.00 C ATOM 152 C GLN A 12 4.477 1.721 -4.523 1.00 0.00 C ATOM 153 O GLN A 12 3.366 2.156 -4.819 1.00 0.00 O ATOM 154 CB GLN A 12 5.867 0.682 -6.310 1.00 0.00 C ATOM 155 CG GLN A 12 6.770 0.919 -7.510 1.00 0.00 C ATOM 156 CD GLN A 12 6.999 -0.340 -8.322 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.260 -0.631 -8.618 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.054 -1.043 -8.680 1.00 0.00 N flip ATOM 0 H GLN A 12 7.528 1.447 -4.623 1.00 0.00 H new ATOM 0 HA GLN A 12 5.465 2.773 -6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.293 -0.112 -5.696 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.897 0.329 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.327 1.684 -8.148 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.730 1.306 -7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.100 -0.781 -8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.225 -1.887 -9.227 1.00 0.00 H new ATOM 167 N LEU A 13 4.727 1.054 -3.404 1.00 0.00 N ATOM 168 CA LEU A 13 3.684 0.784 -2.432 1.00 0.00 C ATOM 169 C LEU A 13 3.078 2.080 -1.905 1.00 0.00 C ATOM 170 O LEU A 13 1.867 2.276 -1.958 1.00 0.00 O ATOM 171 CB LEU A 13 4.231 -0.059 -1.277 1.00 0.00 C ATOM 172 CG LEU A 13 3.830 -1.537 -1.315 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.931 -2.373 -1.944 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.516 -2.044 0.083 1.00 0.00 C ATOM 0 H LEU A 13 5.646 0.691 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 13 2.896 0.220 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.319 0.008 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.888 0.372 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 13 2.932 -1.630 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.628 -3.420 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.111 -2.030 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.845 -2.270 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.233 -3.096 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.396 -1.934 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.693 -1.466 0.503 1.00 0.00 H new ATOM 186 N LYS A 14 3.920 2.965 -1.392 1.00 0.00 N ATOM 187 CA LYS A 14 3.440 4.231 -0.857 1.00 0.00 C ATOM 188 C LYS A 14 2.954 5.160 -1.966 1.00 0.00 C ATOM 189 O LYS A 14 2.057 5.972 -1.751 1.00 0.00 O ATOM 190 CB LYS A 14 4.531 4.916 -0.042 1.00 0.00 C ATOM 191 CG LYS A 14 5.712 5.379 -0.875 1.00 0.00 C ATOM 192 CD LYS A 14 6.730 6.145 -0.041 1.00 0.00 C ATOM 193 CE LYS A 14 6.066 7.188 0.845 1.00 0.00 C ATOM 194 NZ LYS A 14 6.883 8.429 0.953 1.00 0.00 N ATOM 0 H LYS A 14 4.930 2.832 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 14 2.594 4.012 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.102 5.775 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.886 4.228 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.194 4.515 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.357 6.013 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.291 5.446 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.447 6.633 -0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.084 7.434 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.907 6.771 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.395 9.114 1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.811 8.199 1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.014 8.842 0.007 1.00 0.00 H new ATOM 208 N ASP A 15 3.540 5.037 -3.156 1.00 0.00 N ATOM 209 CA ASP A 15 3.143 5.876 -4.280 1.00 0.00 C ATOM 210 C ASP A 15 1.708 5.563 -4.684 1.00 0.00 C ATOM 211 O ASP A 15 0.858 6.455 -4.780 1.00 0.00 O ATOM 212 CB ASP A 15 4.089 5.659 -5.464 1.00 0.00 C ATOM 213 CG ASP A 15 3.714 6.498 -6.672 1.00 0.00 C ATOM 214 OD1 ASP A 15 4.392 6.375 -7.713 1.00 0.00 O ATOM 215 OD2 ASP A 15 2.743 7.279 -6.577 1.00 0.00 O ATOM 0 H ASP A 15 4.284 4.371 -3.364 1.00 0.00 H new ATOM 0 HA ASP A 15 3.202 6.921 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.107 5.901 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.082 4.605 -5.742 1.00 0.00 H new ATOM 220 N LEU A 16 1.433 4.283 -4.888 1.00 0.00 N ATOM 221 CA LEU A 16 0.099 3.850 -5.249 1.00 0.00 C ATOM 222 C LEU A 16 -0.843 4.108 -4.083 1.00 0.00 C ATOM 223 O LEU A 16 -2.027 4.390 -4.270 1.00 0.00 O ATOM 224 CB LEU A 16 0.119 2.362 -5.644 1.00 0.00 C ATOM 225 CG LEU A 16 -0.395 1.364 -4.592 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.240 0.281 -5.239 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.764 0.739 -3.838 1.00 0.00 C ATOM 0 H LEU A 16 2.117 3.530 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.258 4.415 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.477 2.241 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.143 2.091 -5.899 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.018 1.913 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.591 -0.412 -4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.096 0.736 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.640 -0.260 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.380 0.036 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.411 0.211 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.334 1.520 -3.335 1.00 0.00 H new ATOM 239 N LEU A 17 -0.296 4.007 -2.873 1.00 0.00 N ATOM 240 CA LEU A 17 -1.071 4.220 -1.662 1.00 0.00 C ATOM 241 C LEU A 17 -1.723 5.590 -1.661 1.00 0.00 C ATOM 242 O LEU A 17 -2.946 5.710 -1.570 1.00 0.00 O ATOM 243 CB LEU A 17 -0.157 4.115 -0.452 1.00 0.00 C ATOM 244 CG LEU A 17 -0.030 2.726 0.144 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.032 2.723 1.231 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.374 2.267 0.682 1.00 0.00 C ATOM 0 H LEU A 17 0.684 3.778 -2.710 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.851 3.459 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.836 4.463 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.524 4.792 0.320 1.00 0.00 H new ATOM 0 HG LEU A 17 0.279 2.025 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.117 1.722 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.990 3.019 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.752 3.426 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.274 1.269 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.712 2.959 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.102 2.244 -0.129 1.00 0.00 H new ATOM 258 N THR A 18 -0.900 6.622 -1.796 1.00 0.00 N ATOM 259 CA THR A 18 -1.414 7.982 -1.837 1.00 0.00 C ATOM 260 C THR A 18 -2.288 8.130 -3.070 1.00 0.00 C ATOM 261 O THR A 18 -3.246 8.904 -3.081 1.00 0.00 O ATOM 262 CB THR A 18 -0.284 9.028 -1.834 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.607 10.127 -2.669 1.00 0.00 O ATOM 264 CG2 THR A 18 1.056 8.492 -2.288 1.00 0.00 C ATOM 0 H THR A 18 0.114 6.544 -1.878 1.00 0.00 H new ATOM 0 HA THR A 18 -2.003 8.164 -0.938 1.00 0.00 H new ATOM 0 HB THR A 18 -0.195 9.330 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.125 10.779 -2.650 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.797 9.291 -2.257 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.367 7.683 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.971 8.116 -3.307 1.00 0.00 H new ATOM 272 N LYS A 19 -1.961 7.357 -4.104 1.00 0.00 N ATOM 273 CA LYS A 19 -2.728 7.378 -5.333 1.00 0.00 C ATOM 274 C LYS A 19 -4.174 6.946 -5.068 1.00 0.00 C ATOM 275 O LYS A 19 -5.101 7.426 -5.721 1.00 0.00 O ATOM 276 CB LYS A 19 -2.085 6.465 -6.378 1.00 0.00 C ATOM 277 CG LYS A 19 -1.851 7.144 -7.718 1.00 0.00 C ATOM 278 CD LYS A 19 -0.391 7.529 -7.902 1.00 0.00 C ATOM 279 CE LYS A 19 -0.066 8.838 -7.199 1.00 0.00 C ATOM 280 NZ LYS A 19 0.068 9.966 -8.162 1.00 0.00 N ATOM 0 H LYS A 19 -1.171 6.712 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.735 8.397 -5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.132 6.101 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.722 5.593 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.156 6.476 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.475 8.035 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.247 6.737 -7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.169 7.621 -8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.850 9.067 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.861 8.728 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.290 10.840 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.833 9.759 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.825 10.088 -8.680 1.00 0.00 H new ATOM 351 N SER A 23 -3.140 6.288 2.200 1.00 0.00 N ATOM 352 CA SER A 23 -1.999 6.921 2.865 1.00 0.00 C ATOM 353 C SER A 23 -0.812 5.979 2.924 1.00 0.00 C ATOM 354 O SER A 23 -0.865 4.849 2.441 1.00 0.00 O ATOM 355 CB SER A 23 -2.318 7.384 4.284 1.00 0.00 C ATOM 356 OG SER A 23 -2.945 8.655 4.283 1.00 0.00 O ATOM 0 HA SER A 23 -1.759 7.798 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.968 6.656 4.769 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.399 7.430 4.869 1.00 0.00 H new ATOM 0 HG SER A 23 -3.139 8.925 5.205 1.00 0.00 H new ATOM 362 N VAL A 24 0.262 6.470 3.518 1.00 0.00 N ATOM 363 CA VAL A 24 1.486 5.708 3.649 1.00 0.00 C ATOM 364 C VAL A 24 2.035 5.771 5.076 1.00 0.00 C ATOM 365 O VAL A 24 3.093 5.215 5.365 1.00 0.00 O ATOM 366 CB VAL A 24 2.540 6.239 2.668 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.908 6.459 1.302 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.145 7.532 3.195 1.00 0.00 C ATOM 0 H VAL A 24 0.308 7.406 3.921 1.00 0.00 H new ATOM 0 HA VAL A 24 1.258 4.667 3.418 1.00 0.00 H new ATOM 0 HB VAL A 24 3.339 5.504 2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.661 6.836 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.511 5.515 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.099 7.184 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.891 7.898 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.360 8.279 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.618 7.346 4.159 1.00 0.00 H new ATOM 378 N GLY A 25 1.314 6.451 5.964 1.00 0.00 N ATOM 379 CA GLY A 25 1.752 6.564 7.343 1.00 0.00 C ATOM 380 C GLY A 25 1.673 5.238 8.076 1.00 0.00 C ATOM 381 O GLY A 25 0.909 5.090 9.030 1.00 0.00 O ATOM 0 H GLY A 25 0.436 6.925 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.778 6.931 7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.137 7.301 7.859 1.00 0.00 H new ATOM 385 N GLY A 26 2.467 4.274 7.624 1.00 0.00 N ATOM 386 CA GLY A 26 2.482 2.964 8.240 1.00 0.00 C ATOM 387 C GLY A 26 3.802 2.260 8.013 1.00 0.00 C ATOM 388 O GLY A 26 4.725 2.386 8.815 1.00 0.00 O ATOM 0 H GLY A 26 3.105 4.380 6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.300 3.062 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.671 2.360 7.833 1.00 0.00 H new ATOM 392 N LEU A 27 3.888 1.521 6.910 1.00 0.00 N ATOM 393 CA LEU A 27 5.096 0.788 6.550 1.00 0.00 C ATOM 394 C LEU A 27 4.812 -0.143 5.379 1.00 0.00 C ATOM 395 O LEU A 27 3.657 -0.397 5.058 1.00 0.00 O ATOM 396 CB LEU A 27 5.607 -0.012 7.748 1.00 0.00 C ATOM 397 CG LEU A 27 7.054 0.278 8.156 1.00 0.00 C ATOM 398 CD1 LEU A 27 8.016 -0.279 7.123 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.279 1.775 8.341 1.00 0.00 C ATOM 0 H LEU A 27 3.124 1.414 6.243 1.00 0.00 H new ATOM 0 HA LEU A 27 5.865 1.502 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.959 0.188 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.516 -1.074 7.521 1.00 0.00 H new ATOM 0 HG LEU A 27 7.243 -0.213 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.041 -0.065 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.879 -1.357 7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.820 0.185 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.314 1.954 8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.069 2.293 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.614 2.149 9.120 1.00 0.00 H new ATOM 411 N LYS A 28 5.863 -0.650 4.738 1.00 0.00 N ATOM 412 CA LYS A 28 5.694 -1.550 3.600 1.00 0.00 C ATOM 413 C LYS A 28 4.681 -2.646 3.922 1.00 0.00 C ATOM 414 O LYS A 28 3.657 -2.776 3.252 1.00 0.00 O ATOM 415 CB LYS A 28 7.034 -2.174 3.208 1.00 0.00 C ATOM 416 CG LYS A 28 7.118 -2.557 1.738 1.00 0.00 C ATOM 417 CD LYS A 28 8.417 -3.279 1.425 1.00 0.00 C ATOM 418 CE LYS A 28 8.203 -4.399 0.420 1.00 0.00 C ATOM 419 NZ LYS A 28 9.491 -5.007 -0.015 1.00 0.00 N ATOM 0 H LYS A 28 6.833 -0.455 4.985 1.00 0.00 H new ATOM 0 HA LYS A 28 5.318 -0.966 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.834 -1.471 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.204 -3.062 3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.274 -3.196 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.041 -1.661 1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.144 -2.569 1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.838 -3.688 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.570 -5.168 0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.673 -4.010 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.558 -4.973 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.283 -4.477 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.532 -5.997 0.302 1.00 0.00 H new ATOM 433 N ASN A 29 4.956 -3.418 4.969 1.00 0.00 N ATOM 434 CA ASN A 29 4.054 -4.485 5.386 1.00 0.00 C ATOM 435 C ASN A 29 2.661 -3.913 5.639 1.00 0.00 C ATOM 436 O ASN A 29 1.650 -4.473 5.205 1.00 0.00 O ATOM 437 CB ASN A 29 4.596 -5.170 6.647 1.00 0.00 C ATOM 438 CG ASN A 29 3.558 -6.017 7.357 1.00 0.00 C ATOM 439 OD1 ASN A 29 3.114 -7.041 6.839 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.168 -5.591 8.552 1.00 0.00 N ATOM 0 H ASN A 29 5.794 -3.325 5.543 1.00 0.00 H new ATOM 0 HA ASN A 29 3.987 -5.230 4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.445 -5.798 6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.968 -4.410 7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.473 -6.119 9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.563 -4.736 8.943 1.00 0.00 H new ATOM 447 N GLU A 30 2.627 -2.777 6.323 1.00 0.00 N ATOM 448 CA GLU A 30 1.374 -2.099 6.620 1.00 0.00 C ATOM 449 C GLU A 30 0.725 -1.616 5.330 1.00 0.00 C ATOM 450 O GLU A 30 -0.497 -1.513 5.236 1.00 0.00 O ATOM 451 CB GLU A 30 1.621 -0.916 7.558 1.00 0.00 C ATOM 452 CG GLU A 30 1.529 -1.280 9.032 1.00 0.00 C ATOM 453 CD GLU A 30 0.335 -0.644 9.717 1.00 0.00 C ATOM 454 OE1 GLU A 30 0.526 -0.018 10.783 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.789 -0.770 9.190 1.00 0.00 O ATOM 0 H GLU A 30 3.456 -2.305 6.683 1.00 0.00 H new ATOM 0 HA GLU A 30 0.703 -2.802 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.609 -0.502 7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.896 -0.132 7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.465 -2.364 9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.442 -0.967 9.537 1.00 0.00 H new ATOM 462 N TRP A 31 1.561 -1.325 4.339 1.00 0.00 N ATOM 463 CA TRP A 31 1.091 -0.856 3.049 1.00 0.00 C ATOM 464 C TRP A 31 0.439 -1.998 2.288 1.00 0.00 C ATOM 465 O TRP A 31 -0.606 -1.828 1.664 1.00 0.00 O ATOM 466 CB TRP A 31 2.260 -0.249 2.269 1.00 0.00 C ATOM 467 CG TRP A 31 2.772 1.008 2.904 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.146 1.727 3.881 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.005 1.696 2.629 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.901 2.813 4.227 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.045 2.818 3.478 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.078 1.481 1.753 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.106 3.714 3.482 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.132 2.375 1.761 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.141 3.478 2.621 1.00 0.00 C ATOM 0 H TRP A 31 2.575 -1.408 4.410 1.00 0.00 H new ATOM 0 HA TRP A 31 0.338 -0.080 3.188 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.069 -0.977 2.205 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.942 -0.035 1.249 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.191 1.474 4.318 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.651 3.508 4.931 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.081 0.633 1.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.113 4.568 4.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.964 2.219 1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.982 4.156 2.604 1.00 0.00 H new ATOM 486 N VAL A 32 1.044 -3.175 2.375 1.00 0.00 N ATOM 487 CA VAL A 32 0.501 -4.354 1.723 1.00 0.00 C ATOM 488 C VAL A 32 -0.870 -4.681 2.299 1.00 0.00 C ATOM 489 O VAL A 32 -1.795 -5.027 1.570 1.00 0.00 O ATOM 490 CB VAL A 32 1.418 -5.578 1.902 1.00 0.00 C ATOM 491 CG1 VAL A 32 0.896 -6.763 1.099 1.00 0.00 C ATOM 492 CG2 VAL A 32 2.849 -5.238 1.512 1.00 0.00 C ATOM 0 H VAL A 32 1.909 -3.336 2.890 1.00 0.00 H new ATOM 0 HA VAL A 32 0.423 -4.131 0.659 1.00 0.00 H new ATOM 0 HB VAL A 32 1.415 -5.860 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.558 -7.617 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.106 -7.021 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.862 -6.500 0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.481 -6.116 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.877 -4.926 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.215 -4.428 2.143 1.00 0.00 H new ATOM 502 N GLN A 33 -0.990 -4.569 3.617 1.00 0.00 N ATOM 503 CA GLN A 33 -2.248 -4.853 4.295 1.00 0.00 C ATOM 504 C GLN A 33 -3.328 -3.845 3.904 1.00 0.00 C ATOM 505 O GLN A 33 -4.431 -4.231 3.516 1.00 0.00 O ATOM 506 CB GLN A 33 -2.048 -4.849 5.811 1.00 0.00 C ATOM 507 CG GLN A 33 -1.598 -6.191 6.365 1.00 0.00 C ATOM 508 CD GLN A 33 -0.350 -6.716 5.683 1.00 0.00 C ATOM 509 OE1 GLN A 33 0.760 -6.567 6.196 1.00 0.00 O ATOM 510 NE2 GLN A 33 -0.523 -7.335 4.520 1.00 0.00 N ATOM 0 H GLN A 33 -0.232 -4.284 4.236 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.580 -5.843 3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.309 -4.091 6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.982 -4.561 6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.409 -6.093 7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.403 -6.916 6.248 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.460 -7.437 4.131 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.282 -7.709 4.016 1.00 0.00 H new ATOM 519 N ARG A 34 -3.012 -2.556 4.008 1.00 0.00 N ATOM 520 CA ARG A 34 -3.973 -1.512 3.659 1.00 0.00 C ATOM 521 C ARG A 34 -4.305 -1.559 2.170 1.00 0.00 C ATOM 522 O ARG A 34 -5.447 -1.324 1.773 1.00 0.00 O ATOM 523 CB ARG A 34 -3.447 -0.128 4.045 1.00 0.00 C ATOM 524 CG ARG A 34 -2.213 0.294 3.283 1.00 0.00 C ATOM 525 CD ARG A 34 -1.906 1.764 3.516 1.00 0.00 C ATOM 526 NE ARG A 34 -1.818 2.094 4.936 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.436 3.127 5.506 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.192 3.947 4.786 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.291 3.344 6.806 1.00 0.00 N ATOM 0 H ARG A 34 -2.107 -2.211 4.328 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.887 -1.698 4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.234 0.608 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.223 -0.120 5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.363 -0.313 3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.359 0.114 2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.965 2.018 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.681 2.373 3.051 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.246 1.494 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.305 3.789 3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.660 4.735 5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.708 2.721 7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.762 4.134 7.247 1.00 0.00 H new ATOM 543 N LEU A 35 -3.307 -1.878 1.348 1.00 0.00 N ATOM 544 CA LEU A 35 -3.508 -1.969 -0.094 1.00 0.00 C ATOM 545 C LEU A 35 -4.365 -3.181 -0.432 1.00 0.00 C ATOM 546 O LEU A 35 -5.377 -3.067 -1.123 1.00 0.00 O ATOM 547 CB LEU A 35 -2.167 -2.090 -0.813 1.00 0.00 C ATOM 548 CG LEU A 35 -1.313 -0.828 -0.847 1.00 0.00 C ATOM 549 CD1 LEU A 35 0.011 -1.131 -1.516 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.034 0.288 -1.579 1.00 0.00 C ATOM 0 H LEU A 35 -2.355 -2.077 1.656 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.014 -1.062 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.591 -2.882 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.354 -2.406 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.130 -0.497 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.621 -0.228 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.533 -1.907 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.167 -1.476 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.407 1.179 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.243 -0.024 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.971 0.511 -1.070 1.00 0.00 H new ATOM 562 N ILE A 36 -3.959 -4.341 0.077 1.00 0.00 N ATOM 563 CA ILE A 36 -4.696 -5.574 -0.157 1.00 0.00 C ATOM 564 C ILE A 36 -6.145 -5.400 0.284 1.00 0.00 C ATOM 565 O ILE A 36 -7.070 -5.897 -0.360 1.00 0.00 O ATOM 566 CB ILE A 36 -4.059 -6.762 0.597 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.673 -7.089 0.026 1.00 0.00 C ATOM 568 CG2 ILE A 36 -4.959 -7.990 0.528 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.832 -7.935 0.956 1.00 0.00 C ATOM 0 H ILE A 36 -3.124 -4.450 0.653 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.660 -5.793 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.944 -6.474 1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.792 -7.612 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.145 -6.159 -0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.491 -8.815 1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.923 -7.761 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.108 -8.274 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.864 -8.131 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.684 -7.405 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.341 -8.880 1.148 1.00 0.00 H new ATOM 581 N LYS A 37 -6.331 -4.668 1.376 1.00 0.00 N ATOM 582 CA LYS A 37 -7.659 -4.396 1.897 1.00 0.00 C ATOM 583 C LYS A 37 -8.372 -3.409 0.987 1.00 0.00 C ATOM 584 O LYS A 37 -9.592 -3.455 0.834 1.00 0.00 O ATOM 585 CB LYS A 37 -7.577 -3.840 3.319 1.00 0.00 C ATOM 586 CG LYS A 37 -7.160 -4.872 4.353 1.00 0.00 C ATOM 587 CD LYS A 37 -8.269 -5.877 4.616 1.00 0.00 C ATOM 588 CE LYS A 37 -7.970 -6.730 5.838 1.00 0.00 C ATOM 589 NZ LYS A 37 -7.646 -5.898 7.030 1.00 0.00 N ATOM 0 H LYS A 37 -5.573 -4.252 1.918 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.223 -5.328 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.867 -3.013 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.549 -3.432 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.268 -5.395 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.895 -4.370 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.212 -5.350 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.393 -6.519 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.830 -7.362 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.134 -7.395 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.845 -6.439 7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.639 -5.637 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.227 -5.036 7.020 1.00 0.00 H new ATOM 603 N ASP A 38 -7.594 -2.518 0.375 1.00 0.00 N ATOM 604 CA ASP A 38 -8.144 -1.525 -0.529 1.00 0.00 C ATOM 605 C ASP A 38 -8.742 -2.202 -1.755 1.00 0.00 C ATOM 606 O ASP A 38 -9.853 -1.883 -2.177 1.00 0.00 O ATOM 607 CB ASP A 38 -7.059 -0.535 -0.950 1.00 0.00 C ATOM 608 CG ASP A 38 -7.589 0.539 -1.879 1.00 0.00 C ATOM 609 OD1 ASP A 38 -7.385 0.419 -3.105 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.216 1.498 -1.380 1.00 0.00 O ATOM 0 H ASP A 38 -6.582 -2.468 0.492 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.933 -0.980 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.633 -0.067 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.251 -1.074 -1.445 1.00 0.00 H new ATOM 615 N ASP A 39 -7.993 -3.144 -2.319 1.00 0.00 N ATOM 616 CA ASP A 39 -8.441 -3.881 -3.492 1.00 0.00 C ATOM 617 C ASP A 39 -9.543 -4.867 -3.119 1.00 0.00 C ATOM 618 O ASP A 39 -10.410 -5.182 -3.933 1.00 0.00 O ATOM 619 CB ASP A 39 -7.268 -4.626 -4.131 1.00 0.00 C ATOM 620 CG ASP A 39 -6.493 -3.759 -5.105 1.00 0.00 C ATOM 621 OD1 ASP A 39 -6.206 -2.592 -4.763 1.00 0.00 O ATOM 622 OD2 ASP A 39 -6.175 -4.246 -6.210 1.00 0.00 O ATOM 0 H ASP A 39 -7.070 -3.415 -1.980 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.842 -3.167 -4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.596 -4.979 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.642 -5.508 -4.652 1.00 0.00 H new ATOM 627 N GLU A 40 -9.502 -5.349 -1.881 1.00 0.00 N ATOM 628 CA GLU A 40 -10.498 -6.298 -1.396 1.00 0.00 C ATOM 629 C GLU A 40 -11.827 -5.606 -1.120 1.00 0.00 C ATOM 630 O GLU A 40 -12.876 -6.249 -1.094 1.00 0.00 O ATOM 631 CB GLU A 40 -9.997 -7.003 -0.133 1.00 0.00 C ATOM 632 CG GLU A 40 -9.593 -8.449 -0.363 1.00 0.00 C ATOM 633 CD GLU A 40 -10.222 -9.399 0.639 1.00 0.00 C ATOM 634 OE1 GLU A 40 -11.429 -9.250 0.921 1.00 0.00 O ATOM 635 OE2 GLU A 40 -9.506 -10.291 1.141 1.00 0.00 O ATOM 0 H GLU A 40 -8.790 -5.098 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.657 -7.043 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.143 -6.455 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.779 -6.969 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.882 -8.747 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.508 -8.532 -0.305 1.00 0.00 H new