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= -1.61! USER MOD Single : A 12 GLN :FLIP amide:sc= -2.7! F(o=-3.4,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 24:sc= 0.0939 USER MOD Single : A 28 LYS NZ :NH3+ 165:sc=-0.00302 (180deg=-0.338) USER MOD Single : A 29 ASN : amide:sc= -1.5 X(o=-1.5,f=-1) USER MOD Single : A 33 GLN : amide:sc= -0.715 X(o=-0.72,f=-0.27) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.938 -6.618 -3.056 1.00 0.00 N ATOM 43 CA TYR A 5 2.816 -5.506 -2.710 1.00 0.00 C ATOM 44 C TYR A 5 3.966 -5.965 -1.823 1.00 0.00 C ATOM 45 O TYR A 5 5.033 -5.352 -1.806 1.00 0.00 O ATOM 46 CB TYR A 5 2.030 -4.410 -1.997 1.00 0.00 C ATOM 47 CG TYR A 5 0.759 -4.016 -2.707 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.774 -3.048 -3.698 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.455 -4.607 -2.381 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.380 -2.676 -4.345 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.619 -4.241 -3.024 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.578 -3.272 -4.006 1.00 0.00 C ATOM 53 OH TYR A 5 -2.736 -2.902 -4.652 1.00 0.00 O ATOM 0 HA TYR A 5 3.230 -5.111 -3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.784 -4.748 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.665 -3.530 -1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.708 -2.578 -3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.488 -5.365 -1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.350 -1.920 -5.116 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.556 -4.709 -2.761 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.489 -3.418 -4.295 1.00 0.00 H new ATOM 63 N SER A 6 3.742 -7.049 -1.089 1.00 0.00 N ATOM 64 CA SER A 6 4.757 -7.594 -0.200 1.00 0.00 C ATOM 65 C SER A 6 6.083 -7.787 -0.935 1.00 0.00 C ATOM 66 O SER A 6 7.150 -7.792 -0.321 1.00 0.00 O ATOM 67 CB SER A 6 4.270 -8.917 0.391 1.00 0.00 C ATOM 68 OG SER A 6 5.156 -9.388 1.391 1.00 0.00 O ATOM 0 H SER A 6 2.864 -7.568 -1.093 1.00 0.00 H new ATOM 0 HA SER A 6 4.928 -6.885 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.275 -8.784 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.182 -9.661 -0.400 1.00 0.00 H new ATOM 0 HG SER A 6 4.820 -10.234 1.753 1.00 0.00 H new ATOM 74 N SER A 7 6.008 -7.930 -2.257 1.00 0.00 N ATOM 75 CA SER A 7 7.200 -8.105 -3.079 1.00 0.00 C ATOM 76 C SER A 7 7.595 -6.787 -3.746 1.00 0.00 C ATOM 77 O SER A 7 8.760 -6.574 -4.080 1.00 0.00 O ATOM 78 CB SER A 7 6.959 -9.177 -4.142 1.00 0.00 C ATOM 79 OG SER A 7 7.193 -10.474 -3.623 1.00 0.00 O ATOM 0 H SER A 7 5.133 -7.928 -2.781 1.00 0.00 H new ATOM 0 HA SER A 7 8.017 -8.425 -2.432 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.934 -9.108 -4.506 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.614 -9.000 -4.996 1.00 0.00 H new ATOM 0 HG SER A 7 7.030 -11.141 -4.323 1.00 0.00 H new ATOM 85 N LEU A 8 6.613 -5.905 -3.931 1.00 0.00 N ATOM 86 CA LEU A 8 6.851 -4.604 -4.553 1.00 0.00 C ATOM 87 C LEU A 8 7.908 -3.819 -3.777 1.00 0.00 C ATOM 88 O LEU A 8 8.610 -4.374 -2.933 1.00 0.00 O ATOM 89 CB LEU A 8 5.546 -3.803 -4.606 1.00 0.00 C ATOM 90 CG LEU A 8 4.943 -3.618 -6.000 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.772 -4.563 -6.199 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.503 -2.176 -6.206 1.00 0.00 C ATOM 0 H LEU A 8 5.644 -6.069 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 8 7.215 -4.769 -5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.810 -4.299 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.726 -2.819 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 8 5.708 -3.852 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.354 -4.419 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.114 -5.593 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.007 -4.356 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.077 -2.065 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.753 -1.914 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.363 -1.515 -6.103 1.00 0.00 H new ATOM 104 N THR A 9 8.004 -2.522 -4.058 1.00 0.00 N ATOM 105 CA THR A 9 8.964 -1.666 -3.371 1.00 0.00 C ATOM 106 C THR A 9 8.241 -0.634 -2.516 1.00 0.00 C ATOM 107 O THR A 9 7.098 -0.273 -2.790 1.00 0.00 O ATOM 108 CB THR A 9 9.893 -0.957 -4.365 1.00 0.00 C ATOM 109 OG1 THR A 9 10.366 0.266 -3.818 1.00 0.00 O ATOM 110 CG2 THR A 9 9.242 -0.639 -5.695 1.00 0.00 C ATOM 0 H THR A 9 7.431 -2.044 -4.753 1.00 0.00 H new ATOM 0 HA THR A 9 9.572 -2.303 -2.729 1.00 0.00 H new ATOM 0 HB THR A 9 10.706 -1.661 -4.544 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.139 0.577 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.962 -0.139 -6.342 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.910 -1.563 -6.168 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.385 0.014 -5.533 1.00 0.00 H new ATOM 118 N VAL A 10 8.922 -0.160 -1.482 1.00 0.00 N ATOM 119 CA VAL A 10 8.354 0.833 -0.585 1.00 0.00 C ATOM 120 C VAL A 10 7.966 2.096 -1.339 1.00 0.00 C ATOM 121 O VAL A 10 7.020 2.783 -0.964 1.00 0.00 O ATOM 122 CB VAL A 10 9.352 1.219 0.518 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.530 0.078 1.508 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.681 1.621 -0.102 1.00 0.00 C ATOM 0 H VAL A 10 9.871 -0.449 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 10 7.467 0.383 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 10 8.956 2.073 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.241 0.374 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.571 -0.157 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.907 -0.801 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.383 1.893 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.084 0.785 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.531 2.474 -0.764 1.00 0.00 H new ATOM 134 N VAL A 11 8.712 2.402 -2.397 1.00 0.00 N ATOM 135 CA VAL A 11 8.455 3.594 -3.193 1.00 0.00 C ATOM 136 C VAL A 11 7.159 3.470 -3.981 1.00 0.00 C ATOM 137 O VAL A 11 6.356 4.404 -4.030 1.00 0.00 O ATOM 138 CB VAL A 11 9.621 3.880 -4.163 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.947 3.799 -3.430 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.606 2.915 -5.341 1.00 0.00 C ATOM 0 H VAL A 11 9.499 1.840 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 11 8.362 4.426 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 11 9.495 4.890 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.761 4.003 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.964 4.535 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.070 2.801 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.439 3.141 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.701 1.893 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.667 3.020 -5.885 1.00 0.00 H new ATOM 150 N GLN A 12 6.956 2.311 -4.589 1.00 0.00 N ATOM 151 CA GLN A 12 5.751 2.072 -5.370 1.00 0.00 C ATOM 152 C GLN A 12 4.563 1.885 -4.449 1.00 0.00 C ATOM 153 O GLN A 12 3.475 2.400 -4.704 1.00 0.00 O ATOM 154 CB GLN A 12 5.913 0.842 -6.262 1.00 0.00 C ATOM 155 CG GLN A 12 6.216 1.177 -7.711 1.00 0.00 C ATOM 156 CD GLN A 12 7.581 1.814 -7.893 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.612 0.984 -7.998 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 7.706 3.038 -7.940 1.00 0.00 N flip ATOM 0 H GLN A 12 7.606 1.525 -4.557 1.00 0.00 H new ATOM 0 HA GLN A 12 5.581 2.940 -6.007 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.716 0.220 -5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.999 0.249 -6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.162 0.267 -8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.451 1.854 -8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.886 3.638 -7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.630 3.452 -8.064 1.00 0.00 H new ATOM 167 N LEU A 13 4.783 1.135 -3.378 1.00 0.00 N ATOM 168 CA LEU A 13 3.735 0.862 -2.413 1.00 0.00 C ATOM 169 C LEU A 13 3.136 2.154 -1.863 1.00 0.00 C ATOM 170 O LEU A 13 1.925 2.351 -1.905 1.00 0.00 O ATOM 171 CB LEU A 13 4.267 -0.007 -1.272 1.00 0.00 C ATOM 172 CG LEU A 13 3.864 -1.482 -1.352 1.00 0.00 C ATOM 173 CD1 LEU A 13 5.012 -2.321 -1.887 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.425 -1.995 0.009 1.00 0.00 C ATOM 0 H LEU A 13 5.681 0.705 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 13 2.943 0.317 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.355 0.059 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.913 0.402 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 13 3.022 -1.567 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.707 -3.366 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.282 -1.974 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.872 -2.225 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.143 -3.045 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.246 -1.893 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.570 -1.416 0.358 1.00 0.00 H new ATOM 186 N LYS A 14 3.984 3.033 -1.346 1.00 0.00 N ATOM 187 CA LYS A 14 3.510 4.294 -0.792 1.00 0.00 C ATOM 188 C LYS A 14 3.037 5.243 -1.890 1.00 0.00 C ATOM 189 O LYS A 14 2.096 6.009 -1.692 1.00 0.00 O ATOM 190 CB LYS A 14 4.603 4.959 0.038 1.00 0.00 C ATOM 191 CG LYS A 14 5.793 5.422 -0.782 1.00 0.00 C ATOM 192 CD LYS A 14 6.806 6.178 0.068 1.00 0.00 C ATOM 193 CE LYS A 14 6.138 7.231 0.940 1.00 0.00 C ATOM 194 NZ LYS A 14 6.956 8.473 1.037 1.00 0.00 N ATOM 0 H LYS A 14 4.994 2.898 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 14 2.660 4.071 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.179 5.815 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.947 4.258 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.276 4.559 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.448 6.064 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.348 5.474 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.540 6.656 -0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.158 7.473 0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.975 6.825 1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.466 9.165 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.882 8.247 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.091 8.875 0.087 1.00 0.00 H new ATOM 208 N ASP A 15 3.684 5.187 -3.051 1.00 0.00 N ATOM 209 CA ASP A 15 3.306 6.044 -4.168 1.00 0.00 C ATOM 210 C ASP A 15 1.883 5.725 -4.609 1.00 0.00 C ATOM 211 O ASP A 15 1.028 6.611 -4.713 1.00 0.00 O ATOM 212 CB ASP A 15 4.279 5.856 -5.335 1.00 0.00 C ATOM 213 CG ASP A 15 3.946 6.748 -6.516 1.00 0.00 C ATOM 214 OD1 ASP A 15 4.009 6.259 -7.665 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.620 7.932 -6.293 1.00 0.00 O ATOM 0 H ASP A 15 4.467 4.561 -3.241 1.00 0.00 H new ATOM 0 HA ASP A 15 3.350 7.084 -3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.293 6.069 -4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.262 4.814 -5.654 1.00 0.00 H new ATOM 220 N LEU A 16 1.627 4.445 -4.836 1.00 0.00 N ATOM 221 CA LEU A 16 0.310 3.995 -5.234 1.00 0.00 C ATOM 222 C LEU A 16 -0.662 4.214 -4.084 1.00 0.00 C ATOM 223 O LEU A 16 -1.846 4.449 -4.297 1.00 0.00 O ATOM 224 CB LEU A 16 0.358 2.516 -5.659 1.00 0.00 C ATOM 225 CG LEU A 16 -0.268 1.501 -4.686 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.050 0.438 -5.437 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.807 0.856 -3.831 1.00 0.00 C ATOM 0 H LEU A 16 2.319 3.701 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.034 4.571 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.145 2.421 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.401 2.240 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.960 2.038 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.482 -0.266 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.848 0.910 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.382 -0.094 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.348 0.141 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.521 0.339 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.325 1.624 -3.257 1.00 0.00 H new ATOM 239 N LEU A 17 -0.145 4.117 -2.863 1.00 0.00 N ATOM 240 CA LEU A 17 -0.961 4.288 -1.672 1.00 0.00 C ATOM 241 C LEU A 17 -1.626 5.654 -1.641 1.00 0.00 C ATOM 242 O LEU A 17 -2.849 5.761 -1.549 1.00 0.00 O ATOM 243 CB LEU A 17 -0.089 4.148 -0.434 1.00 0.00 C ATOM 244 CG LEU A 17 -0.016 2.750 0.152 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.024 2.710 1.261 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.384 2.326 0.659 1.00 0.00 C ATOM 0 H LEU A 17 0.838 3.920 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.736 3.522 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.921 4.473 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.463 4.827 0.333 1.00 0.00 H new ATOM 0 HG LEU A 17 0.287 2.045 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.072 1.704 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.999 2.982 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.747 3.415 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.322 1.322 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.718 3.020 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.096 2.331 -0.167 1.00 0.00 H new ATOM 258 N THR A 18 -0.810 6.695 -1.727 1.00 0.00 N ATOM 259 CA THR A 18 -1.328 8.056 -1.715 1.00 0.00 C ATOM 260 C THR A 18 -2.182 8.282 -2.952 1.00 0.00 C ATOM 261 O THR A 18 -3.176 9.007 -2.911 1.00 0.00 O ATOM 262 CB THR A 18 -0.195 9.092 -1.636 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.540 10.277 -2.333 1.00 0.00 O ATOM 264 CG2 THR A 18 1.125 8.604 -2.192 1.00 0.00 C ATOM 0 H THR A 18 0.205 6.625 -1.805 1.00 0.00 H new ATOM 0 HA THR A 18 -1.942 8.185 -0.824 1.00 0.00 H new ATOM 0 HB THR A 18 -0.068 9.280 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.196 10.921 -2.267 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.872 9.392 -2.100 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.452 7.726 -1.635 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.002 8.341 -3.243 1.00 0.00 H new ATOM 272 N LYS A 19 -1.798 7.639 -4.050 1.00 0.00 N ATOM 273 CA LYS A 19 -2.545 7.756 -5.291 1.00 0.00 C ATOM 274 C LYS A 19 -3.843 6.941 -5.228 1.00 0.00 C ATOM 275 O LYS A 19 -4.735 7.112 -6.059 1.00 0.00 O ATOM 276 CB LYS A 19 -1.691 7.288 -6.471 1.00 0.00 C ATOM 277 CG LYS A 19 -0.438 8.122 -6.685 1.00 0.00 C ATOM 278 CD LYS A 19 0.623 7.351 -7.456 1.00 0.00 C ATOM 279 CE LYS A 19 0.907 7.988 -8.807 1.00 0.00 C ATOM 280 NZ LYS A 19 -0.195 7.746 -9.778 1.00 0.00 N ATOM 0 H LYS A 19 -0.978 7.035 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.803 8.805 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.403 6.249 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.294 7.315 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.694 9.032 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.036 8.430 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.542 7.312 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.293 6.322 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.049 9.061 -8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.838 7.588 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.037 8.196 -10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.314 6.723 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.079 8.150 -9.408 1.00 0.00 H new ATOM 351 N SER A 23 -3.180 6.096 2.370 1.00 0.00 N ATOM 352 CA SER A 23 -2.028 6.810 2.897 1.00 0.00 C ATOM 353 C SER A 23 -0.811 5.905 2.971 1.00 0.00 C ATOM 354 O SER A 23 -0.845 4.755 2.535 1.00 0.00 O ATOM 355 CB SER A 23 -2.317 7.384 4.281 1.00 0.00 C ATOM 356 OG SER A 23 -3.483 8.189 4.274 1.00 0.00 O ATOM 0 HA SER A 23 -1.820 7.631 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.439 6.570 4.996 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.466 7.977 4.616 1.00 0.00 H new ATOM 0 HG SER A 23 -4.057 7.927 3.524 1.00 0.00 H new ATOM 362 N VAL A 24 0.266 6.441 3.522 1.00 0.00 N ATOM 363 CA VAL A 24 1.507 5.703 3.655 1.00 0.00 C ATOM 364 C VAL A 24 2.041 5.763 5.087 1.00 0.00 C ATOM 365 O VAL A 24 3.096 5.205 5.386 1.00 0.00 O ATOM 366 CB VAL A 24 2.569 6.248 2.685 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.955 6.477 1.314 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.175 7.537 3.225 1.00 0.00 C ATOM 0 H VAL A 24 0.303 7.393 3.887 1.00 0.00 H new ATOM 0 HA VAL A 24 1.295 4.663 3.408 1.00 0.00 H new ATOM 0 HB VAL A 24 3.367 5.512 2.590 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.715 6.863 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.567 5.535 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.142 7.198 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.924 7.908 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.391 8.284 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.644 7.342 4.189 1.00 0.00 H new ATOM 378 N GLY A 25 1.311 6.439 5.969 1.00 0.00 N ATOM 379 CA GLY A 25 1.732 6.545 7.354 1.00 0.00 C ATOM 380 C GLY A 25 1.636 5.217 8.081 1.00 0.00 C ATOM 381 O GLY A 25 0.878 5.078 9.041 1.00 0.00 O ATOM 0 H GLY A 25 0.436 6.915 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.760 6.906 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.114 7.283 7.865 1.00 0.00 H new ATOM 385 N GLY A 26 2.410 4.242 7.619 1.00 0.00 N ATOM 386 CA GLY A 26 2.406 2.928 8.228 1.00 0.00 C ATOM 387 C GLY A 26 3.728 2.218 8.022 1.00 0.00 C ATOM 388 O GLY A 26 4.637 2.340 8.841 1.00 0.00 O ATOM 0 H GLY A 26 3.045 4.341 6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.204 3.021 9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.600 2.330 7.802 1.00 0.00 H new ATOM 392 N LEU A 27 3.832 1.481 6.918 1.00 0.00 N ATOM 393 CA LEU A 27 5.046 0.744 6.579 1.00 0.00 C ATOM 394 C LEU A 27 4.782 -0.185 5.403 1.00 0.00 C ATOM 395 O LEU A 27 3.633 -0.423 5.048 1.00 0.00 O ATOM 396 CB LEU A 27 5.536 -0.058 7.781 1.00 0.00 C ATOM 397 CG LEU A 27 6.972 0.236 8.219 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.961 -0.298 7.197 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.183 1.731 8.430 1.00 0.00 C ATOM 0 H LEU A 27 3.080 1.378 6.236 1.00 0.00 H new ATOM 0 HA LEU A 27 5.820 1.459 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.870 0.135 8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.455 -1.119 7.547 1.00 0.00 H new ATOM 0 HG LEU A 27 7.145 -0.270 9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.977 -0.080 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.835 -1.376 7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.781 0.178 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.212 1.913 8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.986 2.261 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.502 2.089 9.202 1.00 0.00 H new ATOM 411 N LYS A 28 5.845 -0.708 4.795 1.00 0.00 N ATOM 412 CA LYS A 28 5.697 -1.608 3.655 1.00 0.00 C ATOM 413 C LYS A 28 4.676 -2.704 3.952 1.00 0.00 C ATOM 414 O LYS A 28 3.667 -2.828 3.259 1.00 0.00 O ATOM 415 CB LYS A 28 7.044 -2.234 3.291 1.00 0.00 C ATOM 416 CG LYS A 28 7.176 -2.571 1.815 1.00 0.00 C ATOM 417 CD LYS A 28 8.548 -3.142 1.494 1.00 0.00 C ATOM 418 CE LYS A 28 8.741 -3.316 -0.003 1.00 0.00 C ATOM 419 NZ LYS A 28 10.179 -3.447 -0.367 1.00 0.00 N ATOM 0 H LYS A 28 6.810 -0.526 5.070 1.00 0.00 H new ATOM 0 HA LYS A 28 5.337 -1.022 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.843 -1.547 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.184 -3.142 3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.407 -3.291 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.006 -1.674 1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.320 -2.480 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.669 -4.104 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.200 -4.201 -0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.311 -2.462 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.260 -3.813 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.638 -2.516 -0.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.645 -4.104 0.290 1.00 0.00 H new ATOM 433 N ASN A 29 4.930 -3.485 5.000 1.00 0.00 N ATOM 434 CA ASN A 29 4.015 -4.554 5.386 1.00 0.00 C ATOM 435 C ASN A 29 2.617 -3.989 5.604 1.00 0.00 C ATOM 436 O ASN A 29 1.622 -4.549 5.142 1.00 0.00 O ATOM 437 CB ASN A 29 4.510 -5.254 6.657 1.00 0.00 C ATOM 438 CG ASN A 29 4.386 -4.382 7.891 1.00 0.00 C ATOM 439 OD1 ASN A 29 3.416 -4.484 8.642 1.00 0.00 O ATOM 440 ND2 ASN A 29 5.370 -3.518 8.109 1.00 0.00 N ATOM 0 H ASN A 29 5.756 -3.398 5.592 1.00 0.00 H new ATOM 0 HA ASN A 29 3.978 -5.289 4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.941 -6.171 6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.553 -5.544 6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.340 -2.906 8.925 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.156 -3.466 7.461 1.00 0.00 H new ATOM 447 N GLU A 30 2.558 -2.858 6.296 1.00 0.00 N ATOM 448 CA GLU A 30 1.295 -2.192 6.565 1.00 0.00 C ATOM 449 C GLU A 30 0.683 -1.685 5.265 1.00 0.00 C ATOM 450 O GLU A 30 -0.537 -1.578 5.138 1.00 0.00 O ATOM 451 CB GLU A 30 1.505 -1.029 7.536 1.00 0.00 C ATOM 452 CG GLU A 30 1.266 -1.402 8.990 1.00 0.00 C ATOM 453 CD GLU A 30 -0.156 -1.860 9.248 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.460 -3.040 8.972 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.966 -1.039 9.727 1.00 0.00 O ATOM 0 H GLU A 30 3.375 -2.383 6.681 1.00 0.00 H new ATOM 0 HA GLU A 30 0.612 -2.909 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.523 -0.655 7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.835 -0.213 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.957 -2.195 9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.488 -0.543 9.623 1.00 0.00 H new ATOM 462 N TRP A 31 1.547 -1.367 4.304 1.00 0.00 N ATOM 463 CA TRP A 31 1.110 -0.863 3.012 1.00 0.00 C ATOM 464 C TRP A 31 0.450 -1.967 2.202 1.00 0.00 C ATOM 465 O TRP A 31 -0.657 -1.796 1.696 1.00 0.00 O ATOM 466 CB TRP A 31 2.300 -0.257 2.265 1.00 0.00 C ATOM 467 CG TRP A 31 2.789 1.000 2.916 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.140 1.705 3.886 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.019 1.701 2.664 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.880 2.797 4.252 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.036 2.816 3.523 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.108 1.502 1.804 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.090 3.722 3.550 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.154 2.403 1.835 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.140 3.500 2.703 1.00 0.00 C ATOM 0 H TRP A 31 2.559 -1.451 4.400 1.00 0.00 H new ATOM 0 HA TRP A 31 0.366 -0.081 3.165 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.111 -0.984 2.225 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.012 -0.044 1.236 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.181 1.440 4.305 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.612 3.485 4.955 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.129 0.659 1.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.080 4.572 4.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.998 2.258 1.177 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.975 4.185 2.704 1.00 0.00 H new ATOM 486 N VAL A 32 1.115 -3.111 2.105 1.00 0.00 N ATOM 487 CA VAL A 32 0.554 -4.239 1.377 1.00 0.00 C ATOM 488 C VAL A 32 -0.761 -4.664 2.020 1.00 0.00 C ATOM 489 O VAL A 32 -1.701 -5.062 1.337 1.00 0.00 O ATOM 490 CB VAL A 32 1.521 -5.443 1.329 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.852 -5.935 2.729 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.934 -6.567 0.485 1.00 0.00 C ATOM 0 H VAL A 32 2.033 -3.281 2.516 1.00 0.00 H new ATOM 0 HA VAL A 32 0.383 -3.913 0.351 1.00 0.00 H new ATOM 0 HB VAL A 32 2.450 -5.113 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.534 -6.783 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.324 -5.132 3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.936 -6.244 3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.629 -7.406 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.012 -6.891 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.765 -6.209 -0.531 1.00 0.00 H new ATOM 502 N GLN A 33 -0.818 -4.561 3.345 1.00 0.00 N ATOM 503 CA GLN A 33 -2.017 -4.923 4.089 1.00 0.00 C ATOM 504 C GLN A 33 -3.164 -3.963 3.774 1.00 0.00 C ATOM 505 O GLN A 33 -4.269 -4.395 3.442 1.00 0.00 O ATOM 506 CB GLN A 33 -1.731 -4.919 5.592 1.00 0.00 C ATOM 507 CG GLN A 33 -0.883 -6.092 6.054 1.00 0.00 C ATOM 508 CD GLN A 33 -1.542 -7.431 5.780 1.00 0.00 C ATOM 509 OE1 GLN A 33 -2.273 -7.959 6.618 1.00 0.00 O ATOM 510 NE2 GLN A 33 -1.284 -7.986 4.602 1.00 0.00 N ATOM 0 H GLN A 33 -0.047 -4.229 3.924 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.313 -5.927 3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.225 -3.990 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.677 -4.930 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.084 -6.057 5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.690 -5.998 7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.672 -7.512 3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.698 -8.886 4.361 1.00 0.00 H new ATOM 519 N ARG A 34 -2.902 -2.659 3.878 1.00 0.00 N ATOM 520 CA ARG A 34 -3.927 -1.657 3.600 1.00 0.00 C ATOM 521 C ARG A 34 -4.344 -1.699 2.133 1.00 0.00 C ATOM 522 O ARG A 34 -5.529 -1.608 1.815 1.00 0.00 O ATOM 523 CB ARG A 34 -3.446 -0.253 3.978 1.00 0.00 C ATOM 524 CG ARG A 34 -2.234 0.216 3.207 1.00 0.00 C ATOM 525 CD ARG A 34 -1.965 1.686 3.470 1.00 0.00 C ATOM 526 NE ARG A 34 -1.886 1.991 4.897 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.476 3.036 5.475 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.190 3.894 4.756 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.347 3.227 6.781 1.00 0.00 N ATOM 0 H ARG A 34 -1.997 -2.276 4.150 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.796 -1.894 4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.260 0.453 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.214 -0.235 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.364 -0.375 3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.391 0.055 2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.031 1.974 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.755 2.284 3.017 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.343 1.362 5.489 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.291 3.756 3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.637 4.691 5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.797 2.575 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.798 4.026 7.226 1.00 0.00 H new ATOM 543 N LEU A 35 -3.370 -1.855 1.239 1.00 0.00 N ATOM 544 CA LEU A 35 -3.657 -1.928 -0.189 1.00 0.00 C ATOM 545 C LEU A 35 -4.526 -3.143 -0.482 1.00 0.00 C ATOM 546 O LEU A 35 -5.582 -3.030 -1.104 1.00 0.00 O ATOM 547 CB LEU A 35 -2.361 -2.016 -0.997 1.00 0.00 C ATOM 548 CG LEU A 35 -1.466 -0.781 -0.950 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.149 -1.076 -1.639 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.150 0.408 -1.604 1.00 0.00 C ATOM 0 H LEU A 35 -2.381 -1.933 1.478 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.189 -1.022 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.788 -2.871 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.616 -2.218 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.275 -0.529 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.487 -0.191 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.350 -1.902 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.335 -1.347 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.493 1.276 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.370 0.174 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.079 0.628 -1.078 1.00 0.00 H new ATOM 562 N ILE A 36 -4.083 -4.303 -0.005 1.00 0.00 N ATOM 563 CA ILE A 36 -4.825 -5.541 -0.196 1.00 0.00 C ATOM 564 C ILE A 36 -6.245 -5.386 0.338 1.00 0.00 C ATOM 565 O ILE A 36 -7.203 -5.896 -0.245 1.00 0.00 O ATOM 566 CB ILE A 36 -4.131 -6.727 0.514 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.822 -7.087 -0.194 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.050 -7.941 0.568 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.945 -8.018 0.613 1.00 0.00 C ATOM 0 H ILE A 36 -3.213 -4.409 0.517 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.856 -5.752 -1.265 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.904 -6.421 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.051 -7.553 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.269 -6.173 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.539 -8.762 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.957 -7.687 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.312 -8.244 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.034 -8.234 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.687 -7.545 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.481 -8.947 0.806 1.00 0.00 H new ATOM 581 N LYS A 37 -6.370 -4.656 1.440 1.00 0.00 N ATOM 582 CA LYS A 37 -7.665 -4.404 2.048 1.00 0.00 C ATOM 583 C LYS A 37 -8.453 -3.426 1.191 1.00 0.00 C ATOM 584 O LYS A 37 -9.680 -3.486 1.127 1.00 0.00 O ATOM 585 CB LYS A 37 -7.493 -3.849 3.465 1.00 0.00 C ATOM 586 CG LYS A 37 -8.384 -4.524 4.493 1.00 0.00 C ATOM 587 CD LYS A 37 -7.761 -5.811 5.011 1.00 0.00 C ATOM 588 CE LYS A 37 -8.803 -6.904 5.185 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.179 -8.237 5.412 1.00 0.00 N ATOM 0 H LYS A 37 -5.585 -4.228 1.930 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.213 -5.344 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.452 -3.963 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.707 -2.780 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.561 -3.843 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.355 -4.742 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.991 -6.148 4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.270 -5.620 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.450 -6.658 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.436 -6.946 4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.924 -8.954 5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.582 -8.484 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.595 -8.205 6.272 1.00 0.00 H new ATOM 603 N ASP A 38 -7.731 -2.525 0.528 1.00 0.00 N ATOM 604 CA ASP A 38 -8.357 -1.536 -0.331 1.00 0.00 C ATOM 605 C ASP A 38 -9.004 -2.209 -1.535 1.00 0.00 C ATOM 606 O ASP A 38 -10.135 -1.896 -1.904 1.00 0.00 O ATOM 607 CB ASP A 38 -7.324 -0.509 -0.794 1.00 0.00 C ATOM 608 CG ASP A 38 -7.970 0.769 -1.293 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.159 0.898 -2.520 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.287 1.639 -0.455 1.00 0.00 O ATOM 0 H ASP A 38 -6.714 -2.464 0.572 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.132 -1.024 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.651 -0.276 0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.716 -0.941 -1.589 1.00 0.00 H new ATOM 615 N ASP A 39 -8.276 -3.144 -2.138 1.00 0.00 N ATOM 616 CA ASP A 39 -8.776 -3.874 -3.296 1.00 0.00 C ATOM 617 C ASP A 39 -9.838 -4.882 -2.874 1.00 0.00 C ATOM 618 O ASP A 39 -10.752 -5.195 -3.636 1.00 0.00 O ATOM 619 CB ASP A 39 -7.627 -4.592 -4.006 1.00 0.00 C ATOM 620 CG ASP A 39 -6.930 -3.706 -5.021 1.00 0.00 C ATOM 621 OD1 ASP A 39 -5.713 -3.889 -5.232 1.00 0.00 O ATOM 622 OD2 ASP A 39 -7.603 -2.830 -5.604 1.00 0.00 O ATOM 0 H ASP A 39 -7.337 -3.413 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.227 -3.159 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.902 -4.932 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.012 -5.480 -4.507 1.00 0.00 H new ATOM 627 N GLU A 40 -9.712 -5.383 -1.648 1.00 0.00 N ATOM 628 CA GLU A 40 -10.662 -6.355 -1.116 1.00 0.00 C ATOM 629 C GLU A 40 -11.964 -5.678 -0.705 1.00 0.00 C ATOM 630 O GLU A 40 -13.009 -6.325 -0.616 1.00 0.00 O ATOM 631 CB GLU A 40 -10.055 -7.096 0.078 1.00 0.00 C ATOM 632 CG GLU A 40 -9.231 -8.310 -0.316 1.00 0.00 C ATOM 633 CD GLU A 40 -8.372 -8.825 0.822 1.00 0.00 C ATOM 634 OE1 GLU A 40 -7.838 -7.994 1.586 1.00 0.00 O ATOM 635 OE2 GLU A 40 -8.233 -10.059 0.950 1.00 0.00 O ATOM 0 H GLU A 40 -8.961 -5.132 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.884 -7.075 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.425 -6.407 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.857 -7.412 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.898 -9.104 -0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.592 -8.052 -1.161 1.00 0.00 H new