USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 468 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 16 ASN : amide:sc= -1.57! X(o=-2.6!,f=-2.4) USER MOD Set 1.2: B 16 ASN : amide:sc= -1.03! C(o=-2.6!,f=-3.8!) USER MOD Single : A 1 GLU N :NH3+ 138:sc= 0.0494 (180deg=-0.00765) USER MOD Single : A 4 GLN : amide:sc= -0.561 K(o=-0.56,f=-2.5!) USER MOD Single : A 7 LYS NZ :NH3+ -137:sc= -1.15 (180deg=-3.51!) USER MOD Single : A 11 GLN : amide:sc= -1.25 K(o=-1.3,f=-4.1!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.169 K(o=-0.17,f=-3!) USER MOD Single : A 21 GLN : amide:sc= 0.268 X(o=0.27,f=0) USER MOD Single : A 25 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.014) USER MOD Single : B 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -170:sc=-0.00529 (180deg=-0.118) USER MOD Single : B 10 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.23) USER MOD Single : B 13 LYS NZ :NH3+ -148:sc= -0.289 (180deg=-1.65!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1.12) USER MOD Single : B 21 GLN : amide:sc= 0.277 X(o=0.28,f=-0.044) USER MOD Single : B 22 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.134) USER MOD Single : B 24 GLN : amide:sc= 0.191 X(o=0.19,f=0) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 29 LYS NZ :NH3+ -157:sc= 1.31 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 7 N GLU A 1 -19.355 -0.871 -5.420 1.00 0.00 N ATOM 8 CA GLU A 1 -20.037 -1.833 -4.570 1.00 0.00 C ATOM 9 C GLU A 1 -19.228 -2.072 -3.301 1.00 0.00 C ATOM 10 O GLU A 1 -18.012 -1.880 -3.292 1.00 0.00 O ATOM 11 CB GLU A 1 -20.226 -3.153 -5.311 1.00 0.00 C ATOM 12 CG GLU A 1 -21.419 -3.953 -4.831 1.00 0.00 C ATOM 13 CD GLU A 1 -22.727 -3.396 -5.343 1.00 0.00 C ATOM 14 OE1 GLU A 1 -22.864 -3.240 -6.574 1.00 0.00 O ATOM 15 OE2 GLU A 1 -23.624 -3.117 -4.520 1.00 0.00 O ATOM 0 H1 GLU A 1 -19.407 -1.184 -6.410 1.00 0.00 H new ATOM 0 H2 GLU A 1 -19.811 0.059 -5.327 1.00 0.00 H new ATOM 0 H3 GLU A 1 -18.358 -0.799 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 1 -21.015 -1.431 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -20.341 -2.949 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -19.325 -3.756 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -21.315 -4.988 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -21.433 -3.962 -3.741 1.00 0.00 H new ATOM 22 N VAL A 2 -19.900 -2.505 -2.239 1.00 0.00 N ATOM 23 CA VAL A 2 -19.233 -2.777 -0.973 1.00 0.00 C ATOM 24 C VAL A 2 -18.142 -3.825 -1.160 1.00 0.00 C ATOM 25 O VAL A 2 -16.981 -3.576 -0.849 1.00 0.00 O ATOM 26 CB VAL A 2 -20.224 -3.268 0.105 1.00 0.00 C ATOM 27 CG1 VAL A 2 -19.559 -3.289 1.472 1.00 0.00 C ATOM 28 CG2 VAL A 2 -21.479 -2.406 0.128 1.00 0.00 C ATOM 0 H VAL A 2 -20.906 -2.675 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.793 -1.838 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 2 -20.522 -4.286 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.273 -3.638 2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.701 -3.961 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.226 -2.284 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -22.159 -2.774 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -21.207 -1.374 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -21.970 -2.452 -0.844 1.00 0.00 H new ATOM 38 N ALA A 3 -18.523 -4.990 -1.684 1.00 0.00 N ATOM 39 CA ALA A 3 -17.582 -6.083 -1.927 1.00 0.00 C ATOM 40 C ALA A 3 -16.398 -5.614 -2.764 1.00 0.00 C ATOM 41 O ALA A 3 -15.251 -5.917 -2.454 1.00 0.00 O ATOM 42 CB ALA A 3 -18.278 -7.248 -2.618 1.00 0.00 C ATOM 0 H ALA A 3 -19.485 -5.202 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 3 -17.208 -6.418 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -17.561 -8.050 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -19.088 -7.614 -1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -18.685 -6.914 -3.573 1.00 0.00 H new ATOM 48 N GLN A 4 -16.691 -4.853 -3.813 1.00 0.00 N ATOM 49 CA GLN A 4 -15.658 -4.314 -4.691 1.00 0.00 C ATOM 50 C GLN A 4 -14.649 -3.517 -3.886 1.00 0.00 C ATOM 51 O GLN A 4 -13.442 -3.750 -3.965 1.00 0.00 O ATOM 52 CB GLN A 4 -16.285 -3.405 -5.744 1.00 0.00 C ATOM 53 CG GLN A 4 -17.231 -4.120 -6.693 1.00 0.00 C ATOM 54 CD GLN A 4 -16.512 -5.080 -7.620 1.00 0.00 C ATOM 55 OE1 GLN A 4 -15.898 -6.054 -7.180 1.00 0.00 O ATOM 56 NE2 GLN A 4 -16.578 -4.806 -8.909 1.00 0.00 N ATOM 0 H GLN A 4 -17.642 -4.594 -4.077 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.155 -5.147 -5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.828 -2.604 -5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -15.490 -2.936 -6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.975 -4.668 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -17.770 -3.382 -7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.097 -3.989 -9.231 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.110 -5.411 -9.584 1.00 0.00 H new ATOM 65 N LEU A 5 -15.162 -2.584 -3.102 1.00 0.00 N ATOM 66 CA LEU A 5 -14.336 -1.742 -2.261 1.00 0.00 C ATOM 67 C LEU A 5 -13.571 -2.578 -1.241 1.00 0.00 C ATOM 68 O LEU A 5 -12.390 -2.349 -1.016 1.00 0.00 O ATOM 69 CB LEU A 5 -15.207 -0.701 -1.571 1.00 0.00 C ATOM 70 CG LEU A 5 -15.799 0.354 -2.506 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.768 1.243 -1.754 1.00 0.00 C ATOM 72 CD2 LEU A 5 -14.694 1.184 -3.140 1.00 0.00 C ATOM 0 H LEU A 5 -16.161 -2.391 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.601 -1.230 -2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.022 -1.211 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.614 -0.199 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.344 -0.155 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.180 1.989 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.577 0.637 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.245 1.744 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.134 1.930 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.121 1.685 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.034 0.533 -3.714 1.00 0.00 H new ATOM 84 N GLU A 6 -14.246 -3.563 -0.653 1.00 0.00 N ATOM 85 CA GLU A 6 -13.621 -4.455 0.322 1.00 0.00 C ATOM 86 C GLU A 6 -12.436 -5.177 -0.311 1.00 0.00 C ATOM 87 O GLU A 6 -11.375 -5.322 0.301 1.00 0.00 O ATOM 88 CB GLU A 6 -14.633 -5.489 0.828 1.00 0.00 C ATOM 89 CG GLU A 6 -15.784 -4.895 1.619 1.00 0.00 C ATOM 90 CD GLU A 6 -15.579 -4.992 3.115 1.00 0.00 C ATOM 91 OE1 GLU A 6 -14.585 -4.442 3.628 1.00 0.00 O ATOM 92 OE2 GLU A 6 -16.416 -5.631 3.788 1.00 0.00 O ATOM 0 H GLU A 6 -15.229 -3.764 -0.835 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.274 -3.854 1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.036 -6.035 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.113 -6.215 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.908 -3.848 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.707 -5.408 1.349 1.00 0.00 H new ATOM 99 N LYS A 7 -12.626 -5.618 -1.550 1.00 0.00 N ATOM 100 CA LYS A 7 -11.584 -6.320 -2.287 1.00 0.00 C ATOM 101 C LYS A 7 -10.458 -5.364 -2.660 1.00 0.00 C ATOM 102 O LYS A 7 -9.283 -5.730 -2.633 1.00 0.00 O ATOM 103 CB LYS A 7 -12.174 -6.968 -3.540 1.00 0.00 C ATOM 104 CG LYS A 7 -13.216 -8.033 -3.234 1.00 0.00 C ATOM 105 CD LYS A 7 -13.903 -8.544 -4.491 1.00 0.00 C ATOM 106 CE LYS A 7 -13.013 -9.477 -5.293 1.00 0.00 C ATOM 107 NZ LYS A 7 -11.927 -8.758 -6.014 1.00 0.00 N ATOM 0 H LYS A 7 -13.498 -5.500 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.171 -7.102 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.626 -6.195 -4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.369 -7.415 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.740 -8.867 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.963 -7.623 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.819 -9.066 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.194 -7.698 -5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.572 -10.216 -4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.622 -10.023 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.838 -9.140 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.155 -7.744 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.029 -8.887 -5.506 1.00 0.00 H new ATOM 121 N GLU A 8 -10.825 -4.132 -2.986 1.00 0.00 N ATOM 122 CA GLU A 8 -9.857 -3.107 -3.341 1.00 0.00 C ATOM 123 C GLU A 8 -9.043 -2.732 -2.104 1.00 0.00 C ATOM 124 O GLU A 8 -7.827 -2.536 -2.175 1.00 0.00 O ATOM 125 CB GLU A 8 -10.587 -1.885 -3.904 1.00 0.00 C ATOM 126 CG GLU A 8 -9.673 -0.758 -4.344 1.00 0.00 C ATOM 127 CD GLU A 8 -8.946 -1.059 -5.641 1.00 0.00 C ATOM 128 OE1 GLU A 8 -9.595 -1.044 -6.710 1.00 0.00 O ATOM 129 OE2 GLU A 8 -7.723 -1.313 -5.601 1.00 0.00 O ATOM 0 H GLU A 8 -11.795 -3.818 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.178 -3.484 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.193 -2.198 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.273 -1.506 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.260 0.152 -4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.941 -0.563 -3.560 1.00 0.00 H new ATOM 136 N VAL A 9 -9.727 -2.668 -0.962 1.00 0.00 N ATOM 137 CA VAL A 9 -9.082 -2.358 0.301 1.00 0.00 C ATOM 138 C VAL A 9 -8.102 -3.464 0.645 1.00 0.00 C ATOM 139 O VAL A 9 -6.943 -3.201 0.950 1.00 0.00 O ATOM 140 CB VAL A 9 -10.104 -2.194 1.451 1.00 0.00 C ATOM 141 CG1 VAL A 9 -9.400 -2.143 2.798 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.940 -0.939 1.253 1.00 0.00 C ATOM 0 H VAL A 9 -10.732 -2.828 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.561 -1.408 0.187 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.765 -3.061 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.139 -2.027 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.843 -3.067 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.712 -1.298 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.652 -0.843 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.287 -0.066 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.481 -1.007 0.309 1.00 0.00 H new ATOM 152 N ALA A 10 -8.575 -4.701 0.564 1.00 0.00 N ATOM 153 CA ALA A 10 -7.744 -5.863 0.844 1.00 0.00 C ATOM 154 C ALA A 10 -6.562 -5.923 -0.120 1.00 0.00 C ATOM 155 O ALA A 10 -5.482 -6.388 0.237 1.00 0.00 O ATOM 156 CB ALA A 10 -8.566 -7.140 0.755 1.00 0.00 C ATOM 0 H ALA A 10 -9.536 -4.925 0.305 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.357 -5.770 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.929 -7.998 0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.377 -7.102 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.982 -7.236 -0.248 1.00 0.00 H new ATOM 162 N GLN A 11 -6.776 -5.432 -1.337 1.00 0.00 N ATOM 163 CA GLN A 11 -5.737 -5.409 -2.353 1.00 0.00 C ATOM 164 C GLN A 11 -4.640 -4.453 -1.916 1.00 0.00 C ATOM 165 O GLN A 11 -3.453 -4.773 -1.957 1.00 0.00 O ATOM 166 CB GLN A 11 -6.310 -4.949 -3.697 1.00 0.00 C ATOM 167 CG GLN A 11 -5.423 -5.300 -4.885 1.00 0.00 C ATOM 168 CD GLN A 11 -5.338 -6.794 -5.139 1.00 0.00 C ATOM 169 OE1 GLN A 11 -4.913 -7.568 -4.279 1.00 0.00 O ATOM 170 NE2 GLN A 11 -5.743 -7.205 -6.325 1.00 0.00 N ATOM 0 H GLN A 11 -7.668 -5.043 -1.642 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.333 -6.414 -2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.291 -5.402 -3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.458 -3.869 -3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.808 -4.806 -5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.421 -4.909 -4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.088 -6.531 -7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.711 -8.197 -6.559 1.00 0.00 H new ATOM 179 N ALA A 12 -5.064 -3.275 -1.486 1.00 0.00 N ATOM 180 CA ALA A 12 -4.144 -2.256 -1.025 1.00 0.00 C ATOM 181 C ALA A 12 -3.458 -2.688 0.257 1.00 0.00 C ATOM 182 O ALA A 12 -2.246 -2.560 0.382 1.00 0.00 O ATOM 183 CB ALA A 12 -4.864 -0.937 -0.832 1.00 0.00 C ATOM 0 H ALA A 12 -6.046 -3.003 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.377 -2.119 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.157 -0.184 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.299 -0.618 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.655 -1.059 -0.092 1.00 0.00 H new ATOM 189 N GLU A 13 -4.243 -3.210 1.193 1.00 0.00 N ATOM 190 CA GLU A 13 -3.729 -3.685 2.473 1.00 0.00 C ATOM 191 C GLU A 13 -2.649 -4.742 2.260 1.00 0.00 C ATOM 192 O GLU A 13 -1.601 -4.709 2.909 1.00 0.00 O ATOM 193 CB GLU A 13 -4.873 -4.265 3.306 1.00 0.00 C ATOM 194 CG GLU A 13 -5.782 -3.222 3.934 1.00 0.00 C ATOM 195 CD GLU A 13 -5.340 -2.818 5.324 1.00 0.00 C ATOM 196 OE1 GLU A 13 -4.195 -2.350 5.487 1.00 0.00 O ATOM 197 OE2 GLU A 13 -6.141 -2.973 6.270 1.00 0.00 O ATOM 0 H GLU A 13 -5.252 -3.316 1.086 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.286 -2.843 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.473 -4.918 2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.452 -4.886 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.809 -2.339 3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.798 -3.613 3.980 1.00 0.00 H new ATOM 204 N ALA A 14 -2.915 -5.670 1.346 1.00 0.00 N ATOM 205 CA ALA A 14 -1.972 -6.736 1.036 1.00 0.00 C ATOM 206 C ALA A 14 -0.673 -6.152 0.502 1.00 0.00 C ATOM 207 O ALA A 14 0.410 -6.479 0.990 1.00 0.00 O ATOM 208 CB ALA A 14 -2.574 -7.708 0.033 1.00 0.00 C ATOM 0 H ALA A 14 -3.780 -5.704 0.806 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.755 -7.284 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.855 -8.497 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.479 -8.148 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.820 -7.176 -0.886 1.00 0.00 H new ATOM 214 N GLU A 15 -0.788 -5.270 -0.487 1.00 0.00 N ATOM 215 CA GLU A 15 0.383 -4.625 -1.065 1.00 0.00 C ATOM 216 C GLU A 15 1.109 -3.820 -0.008 1.00 0.00 C ATOM 217 O GLU A 15 2.319 -3.927 0.136 1.00 0.00 O ATOM 218 CB GLU A 15 -0.006 -3.682 -2.198 1.00 0.00 C ATOM 219 CG GLU A 15 -0.539 -4.368 -3.434 1.00 0.00 C ATOM 220 CD GLU A 15 -0.942 -3.373 -4.504 1.00 0.00 C ATOM 221 OE1 GLU A 15 -0.767 -2.149 -4.291 1.00 0.00 O ATOM 222 OE2 GLU A 15 -1.427 -3.804 -5.568 1.00 0.00 O ATOM 0 H GLU A 15 -1.676 -4.988 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 15 1.028 -5.412 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.761 -2.986 -1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.866 -3.089 -2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.221 -5.041 -3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.399 -4.981 -3.166 1.00 0.00 H new ATOM 229 N ASN A 16 0.348 -3.006 0.717 1.00 0.00 N ATOM 230 CA ASN A 16 0.881 -2.143 1.766 1.00 0.00 C ATOM 231 C ASN A 16 1.764 -2.933 2.720 1.00 0.00 C ATOM 232 O ASN A 16 2.890 -2.530 3.021 1.00 0.00 O ATOM 233 CB ASN A 16 -0.280 -1.502 2.534 1.00 0.00 C ATOM 234 CG ASN A 16 0.123 -0.273 3.324 1.00 0.00 C ATOM 235 OD1 ASN A 16 1.000 -0.324 4.184 1.00 0.00 O ATOM 236 ND2 ASN A 16 -0.524 0.845 3.036 1.00 0.00 N ATOM 0 H ASN A 16 -0.661 -2.926 0.593 1.00 0.00 H new ATOM 0 HA ASN A 16 1.490 -1.365 1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.065 -1.229 1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.705 -2.239 3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.301 1.706 3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.246 0.845 2.315 1.00 0.00 H new ATOM 243 N TYR A 17 1.250 -4.067 3.173 1.00 0.00 N ATOM 244 CA TYR A 17 1.980 -4.939 4.080 1.00 0.00 C ATOM 245 C TYR A 17 3.299 -5.381 3.446 1.00 0.00 C ATOM 246 O TYR A 17 4.327 -5.447 4.114 1.00 0.00 O ATOM 247 CB TYR A 17 1.131 -6.167 4.418 1.00 0.00 C ATOM 248 CG TYR A 17 1.550 -6.894 5.681 1.00 0.00 C ATOM 249 CD1 TYR A 17 2.464 -6.334 6.569 1.00 0.00 C ATOM 250 CD2 TYR A 17 1.018 -8.138 5.990 1.00 0.00 C ATOM 251 CE1 TYR A 17 2.831 -6.994 7.725 1.00 0.00 C ATOM 252 CE2 TYR A 17 1.378 -8.802 7.146 1.00 0.00 C ATOM 253 CZ TYR A 17 2.288 -8.228 8.008 1.00 0.00 C ATOM 254 OH TYR A 17 2.647 -8.888 9.163 1.00 0.00 O ATOM 0 H TYR A 17 0.321 -4.407 2.924 1.00 0.00 H new ATOM 0 HA TYR A 17 2.197 -4.388 4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.091 -5.857 4.521 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.174 -6.864 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.893 -5.367 6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.310 -8.595 5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.540 -6.545 8.404 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.949 -9.766 7.374 1.00 0.00 H new ATOM 0 HH TYR A 17 2.173 -9.744 9.211 1.00 0.00 H new ATOM 264 N GLN A 18 3.258 -5.674 2.152 1.00 0.00 N ATOM 265 CA GLN A 18 4.446 -6.108 1.424 1.00 0.00 C ATOM 266 C GLN A 18 5.427 -4.953 1.240 1.00 0.00 C ATOM 267 O GLN A 18 6.639 -5.124 1.400 1.00 0.00 O ATOM 268 CB GLN A 18 4.061 -6.667 0.052 1.00 0.00 C ATOM 269 CG GLN A 18 3.080 -7.824 0.108 1.00 0.00 C ATOM 270 CD GLN A 18 2.639 -8.277 -1.270 1.00 0.00 C ATOM 271 OE1 GLN A 18 2.146 -7.485 -2.072 1.00 0.00 O ATOM 272 NE2 GLN A 18 2.801 -9.560 -1.550 1.00 0.00 N ATOM 0 H GLN A 18 2.413 -5.619 1.583 1.00 0.00 H new ATOM 0 HA GLN A 18 4.926 -6.890 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.628 -5.866 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.965 -6.995 -0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.540 -8.661 0.632 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.205 -7.527 0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.214 -10.185 -0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.513 -9.924 -2.458 1.00 0.00 H new ATOM 281 N LEU A 19 4.895 -3.786 0.888 1.00 0.00 N ATOM 282 CA LEU A 19 5.708 -2.594 0.653 1.00 0.00 C ATOM 283 C LEU A 19 6.517 -2.225 1.886 1.00 0.00 C ATOM 284 O LEU A 19 7.723 -2.011 1.800 1.00 0.00 O ATOM 285 CB LEU A 19 4.833 -1.400 0.259 1.00 0.00 C ATOM 286 CG LEU A 19 3.785 -1.659 -0.826 1.00 0.00 C ATOM 287 CD1 LEU A 19 3.149 -0.354 -1.256 1.00 0.00 C ATOM 288 CD2 LEU A 19 4.391 -2.368 -2.024 1.00 0.00 C ATOM 0 H LEU A 19 3.894 -3.639 0.758 1.00 0.00 H new ATOM 0 HA LEU A 19 6.389 -2.831 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.320 -1.042 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.485 -0.595 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 19 3.019 -2.310 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.405 -0.549 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.668 0.116 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.916 0.312 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.620 -2.537 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.183 -1.752 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.806 -3.325 -1.709 1.00 0.00 H new ATOM 300 N GLU A 20 5.848 -2.138 3.027 1.00 0.00 N ATOM 301 CA GLU A 20 6.510 -1.772 4.271 1.00 0.00 C ATOM 302 C GLU A 20 7.570 -2.801 4.654 1.00 0.00 C ATOM 303 O GLU A 20 8.609 -2.447 5.209 1.00 0.00 O ATOM 304 CB GLU A 20 5.485 -1.590 5.387 1.00 0.00 C ATOM 305 CG GLU A 20 4.357 -0.645 5.001 1.00 0.00 C ATOM 306 CD GLU A 20 3.955 0.292 6.117 1.00 0.00 C ATOM 307 OE1 GLU A 20 3.666 -0.186 7.231 1.00 0.00 O ATOM 308 OE2 GLU A 20 3.906 1.518 5.881 1.00 0.00 O ATOM 0 H GLU A 20 4.848 -2.316 3.117 1.00 0.00 H new ATOM 0 HA GLU A 20 7.020 -0.820 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.066 -2.561 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.986 -1.207 6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.664 -0.058 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.489 -1.231 4.697 1.00 0.00 H new ATOM 315 N GLN A 21 7.327 -4.067 4.314 1.00 0.00 N ATOM 316 CA GLN A 21 8.295 -5.126 4.593 1.00 0.00 C ATOM 317 C GLN A 21 9.555 -4.888 3.769 1.00 0.00 C ATOM 318 O GLN A 21 10.675 -5.030 4.262 1.00 0.00 O ATOM 319 CB GLN A 21 7.711 -6.507 4.274 1.00 0.00 C ATOM 320 CG GLN A 21 6.677 -6.980 5.278 1.00 0.00 C ATOM 321 CD GLN A 21 6.043 -8.299 4.879 1.00 0.00 C ATOM 322 OE1 GLN A 21 6.724 -9.314 4.725 1.00 0.00 O ATOM 323 NE2 GLN A 21 4.732 -8.291 4.697 1.00 0.00 N ATOM 0 H GLN A 21 6.476 -4.382 3.849 1.00 0.00 H new ATOM 0 HA GLN A 21 8.540 -5.103 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.256 -6.479 3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.522 -7.234 4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.147 -7.087 6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.900 -6.222 5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.203 -7.430 4.835 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.250 -9.146 4.419 1.00 0.00 H new ATOM 332 N GLU A 22 9.354 -4.498 2.513 1.00 0.00 N ATOM 333 CA GLU A 22 10.450 -4.208 1.605 1.00 0.00 C ATOM 334 C GLU A 22 11.183 -2.956 2.073 1.00 0.00 C ATOM 335 O GLU A 22 12.410 -2.931 2.141 1.00 0.00 O ATOM 336 CB GLU A 22 9.904 -4.009 0.192 1.00 0.00 C ATOM 337 CG GLU A 22 10.975 -3.954 -0.880 1.00 0.00 C ATOM 338 CD GLU A 22 11.761 -5.245 -0.983 1.00 0.00 C ATOM 339 OE1 GLU A 22 11.134 -6.319 -1.109 1.00 0.00 O ATOM 340 OE2 GLU A 22 13.006 -5.195 -0.953 1.00 0.00 O ATOM 0 H GLU A 22 8.429 -4.376 2.101 1.00 0.00 H new ATOM 0 HA GLU A 22 11.151 -5.043 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.215 -4.822 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.327 -3.084 0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.510 -3.738 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.658 -3.133 -0.664 1.00 0.00 H new ATOM 347 N VAL A 23 10.410 -1.928 2.417 1.00 0.00 N ATOM 348 CA VAL A 23 10.962 -0.671 2.905 1.00 0.00 C ATOM 349 C VAL A 23 11.833 -0.914 4.130 1.00 0.00 C ATOM 350 O VAL A 23 12.970 -0.442 4.197 1.00 0.00 O ATOM 351 CB VAL A 23 9.838 0.331 3.263 1.00 0.00 C ATOM 352 CG1 VAL A 23 10.383 1.533 4.021 1.00 0.00 C ATOM 353 CG2 VAL A 23 9.105 0.777 2.004 1.00 0.00 C ATOM 0 H VAL A 23 9.391 -1.944 2.365 1.00 0.00 H new ATOM 0 HA VAL A 23 11.569 -0.244 2.107 1.00 0.00 H new ATOM 0 HB VAL A 23 9.132 -0.179 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.566 2.216 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.853 1.198 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.120 2.048 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.317 1.481 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.808 1.260 1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.664 -0.091 1.513 1.00 0.00 H new ATOM 363 N ALA A 24 11.296 -1.663 5.087 1.00 0.00 N ATOM 364 CA ALA A 24 12.023 -1.981 6.304 1.00 0.00 C ATOM 365 C ALA A 24 13.319 -2.710 5.984 1.00 0.00 C ATOM 366 O ALA A 24 14.358 -2.423 6.571 1.00 0.00 O ATOM 367 CB ALA A 24 11.169 -2.824 7.238 1.00 0.00 C ATOM 0 H ALA A 24 10.358 -2.060 5.040 1.00 0.00 H new ATOM 0 HA ALA A 24 12.265 -1.043 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.734 -3.050 8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.266 -2.273 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.894 -3.754 6.740 1.00 0.00 H new ATOM 373 N GLN A 25 13.250 -3.647 5.045 1.00 0.00 N ATOM 374 CA GLN A 25 14.421 -4.414 4.641 1.00 0.00 C ATOM 375 C GLN A 25 15.460 -3.507 3.990 1.00 0.00 C ATOM 376 O GLN A 25 16.640 -3.559 4.332 1.00 0.00 O ATOM 377 CB GLN A 25 14.022 -5.531 3.669 1.00 0.00 C ATOM 378 CG GLN A 25 15.168 -6.465 3.304 1.00 0.00 C ATOM 379 CD GLN A 25 15.610 -7.356 4.456 1.00 0.00 C ATOM 380 OE1 GLN A 25 16.694 -7.935 4.422 1.00 0.00 O ATOM 381 NE2 GLN A 25 14.765 -7.507 5.466 1.00 0.00 N ATOM 0 H GLN A 25 12.394 -3.894 4.549 1.00 0.00 H new ATOM 0 HA GLN A 25 14.857 -4.862 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 25 13.216 -6.116 4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 25 13.626 -5.083 2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.864 -7.092 2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.018 -5.871 2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.873 -7.012 5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.007 -8.118 6.246 1.00 0.00 H new ATOM 390 N LEU A 26 15.018 -2.678 3.050 1.00 0.00 N ATOM 391 CA LEU A 26 15.921 -1.773 2.353 1.00 0.00 C ATOM 392 C LEU A 26 16.579 -0.794 3.319 1.00 0.00 C ATOM 393 O LEU A 26 17.787 -0.589 3.259 1.00 0.00 O ATOM 394 CB LEU A 26 15.192 -1.028 1.231 1.00 0.00 C ATOM 395 CG LEU A 26 14.557 -1.931 0.163 1.00 0.00 C ATOM 396 CD1 LEU A 26 13.889 -1.105 -0.925 1.00 0.00 C ATOM 397 CD2 LEU A 26 15.600 -2.860 -0.441 1.00 0.00 C ATOM 0 H LEU A 26 14.044 -2.615 2.755 1.00 0.00 H new ATOM 0 HA LEU A 26 16.710 -2.375 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.412 -0.408 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.897 -0.354 0.744 1.00 0.00 H new ATOM 0 HG LEU A 26 13.791 -2.536 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.448 -1.770 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.108 -0.485 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.631 -0.467 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.131 -3.492 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.390 -2.268 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.027 -3.486 0.342 1.00 0.00 H new ATOM 409 N GLU A 27 15.798 -0.205 4.214 1.00 0.00 N ATOM 410 CA GLU A 27 16.337 0.737 5.194 1.00 0.00 C ATOM 411 C GLU A 27 17.288 0.038 6.162 1.00 0.00 C ATOM 412 O GLU A 27 18.354 0.562 6.497 1.00 0.00 O ATOM 413 CB GLU A 27 15.204 1.400 5.975 1.00 0.00 C ATOM 414 CG GLU A 27 14.488 2.498 5.206 1.00 0.00 C ATOM 415 CD GLU A 27 15.347 3.738 5.022 1.00 0.00 C ATOM 416 OE1 GLU A 27 16.477 3.627 4.494 1.00 0.00 O ATOM 417 OE2 GLU A 27 14.891 4.835 5.404 1.00 0.00 O ATOM 0 H GLU A 27 14.792 -0.360 4.284 1.00 0.00 H new ATOM 0 HA GLU A 27 16.894 1.500 4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.479 0.638 6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.608 1.819 6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.191 2.118 4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.574 2.769 5.734 1.00 0.00 H new ATOM 483 N GLU B 1 -19.733 0.383 5.263 1.00 0.00 N ATOM 484 CA GLU B 1 -20.147 1.596 4.587 1.00 0.00 C ATOM 485 C GLU B 1 -19.347 1.799 3.305 1.00 0.00 C ATOM 486 O GLU B 1 -18.118 1.798 3.319 1.00 0.00 O ATOM 487 CB GLU B 1 -20.018 2.811 5.514 1.00 0.00 C ATOM 488 CG GLU B 1 -20.244 4.144 4.813 1.00 0.00 C ATOM 489 CD GLU B 1 -21.586 4.235 4.114 1.00 0.00 C ATOM 490 OE1 GLU B 1 -22.498 3.450 4.450 1.00 0.00 O ATOM 491 OE2 GLU B 1 -21.735 5.104 3.234 1.00 0.00 O ATOM 0 H1 GLU B 1 -20.290 0.263 6.133 1.00 0.00 H new ATOM 0 H2 GLU B 1 -19.888 -0.433 4.638 1.00 0.00 H new ATOM 0 H3 GLU B 1 -18.723 0.447 5.504 1.00 0.00 H new ATOM 0 HA GLU B 1 -21.198 1.492 4.317 1.00 0.00 H new ATOM 0 HB2 GLU B 1 -20.736 2.713 6.329 1.00 0.00 H new ATOM 0 HB3 GLU B 1 -19.025 2.811 5.963 1.00 0.00 H new ATOM 0 HG2 GLU B 1 -20.168 4.949 5.544 1.00 0.00 H new ATOM 0 HG3 GLU B 1 -19.450 4.301 4.083 1.00 0.00 H new ATOM 498 N VAL B 2 -20.060 1.978 2.201 1.00 0.00 N ATOM 499 CA VAL B 2 -19.436 2.192 0.901 1.00 0.00 C ATOM 500 C VAL B 2 -18.511 3.406 0.946 1.00 0.00 C ATOM 501 O VAL B 2 -17.341 3.316 0.575 1.00 0.00 O ATOM 502 CB VAL B 2 -20.498 2.370 -0.214 1.00 0.00 C ATOM 503 CG1 VAL B 2 -19.875 2.921 -1.487 1.00 0.00 C ATOM 504 CG2 VAL B 2 -21.193 1.044 -0.503 1.00 0.00 C ATOM 0 H VAL B 2 -21.080 1.979 2.180 1.00 0.00 H new ATOM 0 HA VAL B 2 -18.847 1.306 0.666 1.00 0.00 H new ATOM 0 HB VAL B 2 -21.236 3.089 0.141 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -20.645 3.034 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -19.423 3.891 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -19.109 2.233 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -21.936 1.186 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -20.456 0.310 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -21.685 0.686 0.401 1.00 0.00 H new ATOM 514 N GLN B 3 -19.027 4.533 1.428 1.00 0.00 N ATOM 515 CA GLN B 3 -18.229 5.748 1.536 1.00 0.00 C ATOM 516 C GLN B 3 -17.008 5.503 2.422 1.00 0.00 C ATOM 517 O GLN B 3 -15.897 5.920 2.093 1.00 0.00 O ATOM 518 CB GLN B 3 -19.071 6.889 2.102 1.00 0.00 C ATOM 519 CG GLN B 3 -18.299 8.184 2.273 1.00 0.00 C ATOM 520 CD GLN B 3 -19.142 9.285 2.875 1.00 0.00 C ATOM 521 OE1 GLN B 3 -20.119 9.736 2.277 1.00 0.00 O ATOM 522 NE2 GLN B 3 -18.776 9.718 4.068 1.00 0.00 N ATOM 0 H GLN B 3 -19.991 4.629 1.749 1.00 0.00 H new ATOM 0 HA GLN B 3 -17.888 6.028 0.539 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -19.920 7.066 1.441 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -19.476 6.587 3.068 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -17.432 8.005 2.909 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -17.921 8.509 1.304 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -17.959 9.316 4.528 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -19.310 10.454 4.529 1.00 0.00 H new ATOM 531 N ALA B 4 -17.231 4.810 3.533 1.00 0.00 N ATOM 532 CA ALA B 4 -16.174 4.481 4.480 1.00 0.00 C ATOM 533 C ALA B 4 -15.045 3.713 3.803 1.00 0.00 C ATOM 534 O ALA B 4 -13.862 3.975 4.041 1.00 0.00 O ATOM 535 CB ALA B 4 -16.749 3.661 5.621 1.00 0.00 C ATOM 0 H ALA B 4 -18.151 4.461 3.802 1.00 0.00 H new ATOM 0 HA ALA B 4 -15.761 5.411 4.870 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -15.957 3.416 6.328 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -17.523 4.236 6.128 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -17.181 2.741 5.227 1.00 0.00 H new ATOM 541 N LEU B 5 -15.420 2.762 2.962 1.00 0.00 N ATOM 542 CA LEU B 5 -14.454 1.947 2.250 1.00 0.00 C ATOM 543 C LEU B 5 -13.721 2.760 1.193 1.00 0.00 C ATOM 544 O LEU B 5 -12.536 2.544 0.961 1.00 0.00 O ATOM 545 CB LEU B 5 -15.146 0.743 1.614 1.00 0.00 C ATOM 546 CG LEU B 5 -15.816 -0.213 2.601 1.00 0.00 C ATOM 547 CD1 LEU B 5 -16.544 -1.319 1.860 1.00 0.00 C ATOM 548 CD2 LEU B 5 -14.788 -0.798 3.558 1.00 0.00 C ATOM 0 H LEU B 5 -16.393 2.536 2.756 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.716 1.590 2.968 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -15.899 1.104 0.913 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.411 0.185 1.033 1.00 0.00 H new ATOM 0 HG LEU B 5 -16.546 0.349 3.183 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -17.015 -1.990 2.579 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -17.308 -0.884 1.216 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.833 -1.879 1.253 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -15.283 -1.476 4.253 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -14.034 -1.345 2.992 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -14.310 0.008 4.115 1.00 0.00 H new ATOM 560 N LYS B 6 -14.412 3.708 0.567 1.00 0.00 N ATOM 561 CA LYS B 6 -13.792 4.553 -0.450 1.00 0.00 C ATOM 562 C LYS B 6 -12.679 5.373 0.176 1.00 0.00 C ATOM 563 O LYS B 6 -11.604 5.533 -0.404 1.00 0.00 O ATOM 564 CB LYS B 6 -14.830 5.473 -1.093 1.00 0.00 C ATOM 565 CG LYS B 6 -15.916 4.722 -1.845 1.00 0.00 C ATOM 566 CD LYS B 6 -16.962 5.657 -2.431 1.00 0.00 C ATOM 567 CE LYS B 6 -16.405 6.465 -3.591 1.00 0.00 C ATOM 568 NZ LYS B 6 -17.459 7.253 -4.285 1.00 0.00 N ATOM 0 H LYS B 6 -15.396 3.910 0.744 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.373 3.916 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.291 6.086 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -14.326 6.153 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -15.463 4.139 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -16.400 4.015 -1.171 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -17.820 5.077 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -17.321 6.333 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -15.632 7.140 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -15.928 5.793 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -17.033 7.788 -5.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -18.184 6.609 -4.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -17.897 7.914 -3.613 1.00 0.00 H new ATOM 582 N LYS B 7 -12.938 5.874 1.377 1.00 0.00 N ATOM 583 CA LYS B 7 -11.946 6.658 2.094 1.00 0.00 C ATOM 584 C LYS B 7 -10.802 5.747 2.523 1.00 0.00 C ATOM 585 O LYS B 7 -9.637 6.141 2.493 1.00 0.00 O ATOM 586 CB LYS B 7 -12.558 7.363 3.314 1.00 0.00 C ATOM 587 CG LYS B 7 -13.900 8.038 3.045 1.00 0.00 C ATOM 588 CD LYS B 7 -13.915 8.792 1.721 1.00 0.00 C ATOM 589 CE LYS B 7 -12.921 9.941 1.700 1.00 0.00 C ATOM 590 NZ LYS B 7 -13.264 10.989 2.695 1.00 0.00 N ATOM 0 H LYS B 7 -13.822 5.751 1.871 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.568 7.434 1.428 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.686 6.633 4.114 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -11.854 8.113 3.676 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -14.688 7.285 3.040 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -14.125 8.730 3.857 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -13.686 8.101 0.910 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.917 9.178 1.537 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -11.921 9.559 1.905 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -12.896 10.381 0.703 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -12.668 11.827 2.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -14.265 11.251 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -13.099 10.624 3.655 1.00 0.00 H new ATOM 604 N ARG B 8 -11.152 4.511 2.883 1.00 0.00 N ATOM 605 CA ARG B 8 -10.167 3.509 3.283 1.00 0.00 C ATOM 606 C ARG B 8 -9.230 3.240 2.116 1.00 0.00 C ATOM 607 O ARG B 8 -8.011 3.181 2.277 1.00 0.00 O ATOM 608 CB ARG B 8 -10.874 2.213 3.693 1.00 0.00 C ATOM 609 CG ARG B 8 -9.936 1.101 4.140 1.00 0.00 C ATOM 610 CD ARG B 8 -9.489 1.276 5.581 1.00 0.00 C ATOM 611 NE ARG B 8 -8.641 0.168 6.026 1.00 0.00 N ATOM 612 CZ ARG B 8 -8.272 -0.026 7.292 1.00 0.00 C ATOM 613 NH1 ARG B 8 -8.712 0.786 8.250 1.00 0.00 N ATOM 614 NH2 ARG B 8 -7.472 -1.039 7.604 1.00 0.00 N ATOM 0 H ARG B 8 -12.117 4.180 2.905 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.596 3.880 4.134 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -11.569 2.433 4.503 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.468 1.855 2.852 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -10.437 0.139 4.030 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -9.062 1.081 3.489 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.943 2.214 5.681 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -10.364 1.346 6.227 1.00 0.00 H new ATOM 0 HE ARG B 8 -8.313 -0.496 5.324 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.334 1.560 8.017 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -8.427 0.634 9.218 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.139 -1.669 6.874 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -7.190 -1.187 8.573 1.00 0.00 H new ATOM 628 N VAL B 9 -9.823 3.096 0.933 1.00 0.00 N ATOM 629 CA VAL B 9 -9.072 2.854 -0.287 1.00 0.00 C ATOM 630 C VAL B 9 -8.097 3.996 -0.542 1.00 0.00 C ATOM 631 O VAL B 9 -6.902 3.771 -0.714 1.00 0.00 O ATOM 632 CB VAL B 9 -10.006 2.696 -1.513 1.00 0.00 C ATOM 633 CG1 VAL B 9 -9.202 2.622 -2.804 1.00 0.00 C ATOM 634 CG2 VAL B 9 -10.878 1.460 -1.369 1.00 0.00 C ATOM 0 H VAL B 9 -10.833 3.144 0.798 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.523 1.922 -0.151 1.00 0.00 H new ATOM 0 HB VAL B 9 -10.650 3.574 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -9.881 2.511 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -8.620 3.536 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -8.529 1.766 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -11.526 1.368 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -10.246 0.576 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -11.489 1.548 -0.471 1.00 0.00 H new ATOM 644 N GLN B 10 -8.620 5.220 -0.560 1.00 0.00 N ATOM 645 CA GLN B 10 -7.808 6.412 -0.798 1.00 0.00 C ATOM 646 C GLN B 10 -6.672 6.545 0.212 1.00 0.00 C ATOM 647 O GLN B 10 -5.563 6.939 -0.148 1.00 0.00 O ATOM 648 CB GLN B 10 -8.683 7.663 -0.768 1.00 0.00 C ATOM 649 CG GLN B 10 -9.672 7.727 -1.921 1.00 0.00 C ATOM 650 CD GLN B 10 -8.983 7.761 -3.275 1.00 0.00 C ATOM 651 OE1 GLN B 10 -8.208 8.671 -3.567 1.00 0.00 O ATOM 652 NE2 GLN B 10 -9.263 6.772 -4.113 1.00 0.00 N ATOM 0 H GLN B 10 -9.610 5.413 -0.411 1.00 0.00 H new ATOM 0 HA GLN B 10 -7.359 6.306 -1.785 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -9.230 7.694 0.174 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -8.045 8.546 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -10.335 6.863 -1.876 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -10.296 8.614 -1.812 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -9.911 6.035 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -8.830 6.748 -5.036 1.00 0.00 H new ATOM 661 N ALA B 11 -6.948 6.212 1.470 1.00 0.00 N ATOM 662 CA ALA B 11 -5.941 6.294 2.522 1.00 0.00 C ATOM 663 C ALA B 11 -4.843 5.266 2.285 1.00 0.00 C ATOM 664 O ALA B 11 -3.658 5.537 2.491 1.00 0.00 O ATOM 665 CB ALA B 11 -6.583 6.082 3.887 1.00 0.00 C ATOM 0 H ALA B 11 -7.861 5.883 1.785 1.00 0.00 H new ATOM 0 HA ALA B 11 -5.495 7.288 2.500 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.819 6.146 4.662 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -7.338 6.850 4.057 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -7.052 5.099 3.920 1.00 0.00 H new ATOM 671 N LEU B 12 -5.248 4.085 1.836 1.00 0.00 N ATOM 672 CA LEU B 12 -4.315 3.011 1.556 1.00 0.00 C ATOM 673 C LEU B 12 -3.491 3.321 0.321 1.00 0.00 C ATOM 674 O LEU B 12 -2.273 3.225 0.354 1.00 0.00 O ATOM 675 CB LEU B 12 -5.053 1.690 1.357 1.00 0.00 C ATOM 676 CG LEU B 12 -5.513 1.002 2.639 1.00 0.00 C ATOM 677 CD1 LEU B 12 -6.532 -0.083 2.327 1.00 0.00 C ATOM 678 CD2 LEU B 12 -4.320 0.406 3.365 1.00 0.00 C ATOM 0 H LEU B 12 -6.224 3.850 1.658 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.649 2.920 2.414 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.925 1.871 0.728 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.402 1.007 0.811 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.986 1.744 3.282 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -6.848 -0.562 3.253 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.397 0.361 1.834 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.082 -0.826 1.669 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -4.657 -0.083 4.279 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.831 -0.325 2.722 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -3.614 1.198 3.617 1.00 0.00 H new ATOM 690 N LYS B 13 -4.159 3.693 -0.766 1.00 0.00 N ATOM 691 CA LYS B 13 -3.472 4.009 -2.016 1.00 0.00 C ATOM 692 C LYS B 13 -2.454 5.118 -1.808 1.00 0.00 C ATOM 693 O LYS B 13 -1.365 5.074 -2.368 1.00 0.00 O ATOM 694 CB LYS B 13 -4.459 4.433 -3.104 1.00 0.00 C ATOM 695 CG LYS B 13 -5.579 3.440 -3.370 1.00 0.00 C ATOM 696 CD LYS B 13 -5.073 2.009 -3.454 1.00 0.00 C ATOM 697 CE LYS B 13 -6.073 1.125 -4.182 1.00 0.00 C ATOM 698 NZ LYS B 13 -5.634 -0.292 -4.268 1.00 0.00 N ATOM 0 H LYS B 13 -5.174 3.783 -0.808 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.961 3.102 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.900 5.389 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.909 4.596 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -6.323 3.514 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -6.080 3.701 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.115 1.987 -3.974 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -4.900 1.620 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -7.034 1.172 -3.669 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.229 1.514 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.990 -0.713 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.595 -0.335 -4.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -6.010 -0.822 -3.456 1.00 0.00 H new ATOM 712 N ALA B 14 -2.809 6.107 -0.995 1.00 0.00 N ATOM 713 CA ALA B 14 -1.906 7.221 -0.716 1.00 0.00 C ATOM 714 C ALA B 14 -0.655 6.735 0.013 1.00 0.00 C ATOM 715 O ALA B 14 0.432 7.292 -0.147 1.00 0.00 O ATOM 716 CB ALA B 14 -2.617 8.292 0.098 1.00 0.00 C ATOM 0 H ALA B 14 -3.710 6.162 -0.519 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.598 7.657 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.930 9.114 0.297 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.476 8.664 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.956 7.866 1.042 1.00 0.00 H new ATOM 722 N ARG B 15 -0.813 5.676 0.795 1.00 0.00 N ATOM 723 CA ARG B 15 0.300 5.094 1.530 1.00 0.00 C ATOM 724 C ARG B 15 1.054 4.127 0.633 1.00 0.00 C ATOM 725 O ARG B 15 2.283 4.094 0.616 1.00 0.00 O ATOM 726 CB ARG B 15 -0.212 4.374 2.767 1.00 0.00 C ATOM 727 CG ARG B 15 0.891 3.781 3.618 1.00 0.00 C ATOM 728 CD ARG B 15 0.519 3.862 5.076 1.00 0.00 C ATOM 729 NE ARG B 15 1.407 3.073 5.933 1.00 0.00 N ATOM 730 CZ ARG B 15 1.290 3.012 7.258 1.00 0.00 C ATOM 731 NH1 ARG B 15 0.382 3.753 7.883 1.00 0.00 N ATOM 732 NH2 ARG B 15 2.077 2.207 7.959 1.00 0.00 N ATOM 0 H ARG B 15 -1.705 5.201 0.937 1.00 0.00 H new ATOM 0 HA ARG B 15 0.977 5.888 1.845 1.00 0.00 H new ATOM 0 HB2 ARG B 15 -0.791 5.072 3.371 1.00 0.00 H new ATOM 0 HB3 ARG B 15 -0.891 3.579 2.460 1.00 0.00 H new ATOM 0 HG2 ARG B 15 1.061 2.742 3.335 1.00 0.00 H new ATOM 0 HG3 ARG B 15 1.824 4.316 3.442 1.00 0.00 H new ATOM 0 HD2 ARG B 15 0.545 4.904 5.395 1.00 0.00 H new ATOM 0 HD3 ARG B 15 -0.506 3.514 5.205 1.00 0.00 H new ATOM 0 HE ARG B 15 2.156 2.541 5.490 1.00 0.00 H new ATOM 0 HH11 ARG B 15 -0.228 4.371 7.348 1.00 0.00 H new ATOM 0 HH12 ARG B 15 0.295 3.704 8.898 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.773 1.633 7.483 1.00 0.00 H new ATOM 0 HH22 ARG B 15 1.986 2.162 8.974 1.00 0.00 H new ATOM 746 N ASN B 16 0.286 3.360 -0.124 1.00 0.00 N ATOM 747 CA ASN B 16 0.819 2.391 -1.056 1.00 0.00 C ATOM 748 C ASN B 16 1.676 3.087 -2.096 1.00 0.00 C ATOM 749 O ASN B 16 2.791 2.659 -2.384 1.00 0.00 O ATOM 750 CB ASN B 16 -0.334 1.643 -1.734 1.00 0.00 C ATOM 751 CG ASN B 16 -0.854 0.482 -0.902 1.00 0.00 C ATOM 752 OD1 ASN B 16 -1.224 0.648 0.260 1.00 0.00 O ATOM 753 ND2 ASN B 16 -0.902 -0.698 -1.495 1.00 0.00 N ATOM 0 H ASN B 16 -0.733 3.396 -0.105 1.00 0.00 H new ATOM 0 HA ASN B 16 1.439 1.676 -0.516 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -1.150 2.340 -1.926 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.001 1.269 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -1.255 -1.510 -0.988 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.586 -0.797 -2.460 1.00 0.00 H new ATOM 760 N TYR B 17 1.151 4.173 -2.643 1.00 0.00 N ATOM 761 CA TYR B 17 1.856 4.946 -3.647 1.00 0.00 C ATOM 762 C TYR B 17 3.178 5.462 -3.096 1.00 0.00 C ATOM 763 O TYR B 17 4.220 5.314 -3.732 1.00 0.00 O ATOM 764 CB TYR B 17 0.996 6.125 -4.104 1.00 0.00 C ATOM 765 CG TYR B 17 1.382 6.654 -5.467 1.00 0.00 C ATOM 766 CD1 TYR B 17 1.241 5.863 -6.600 1.00 0.00 C ATOM 767 CD2 TYR B 17 1.894 7.935 -5.619 1.00 0.00 C ATOM 768 CE1 TYR B 17 1.595 6.337 -7.847 1.00 0.00 C ATOM 769 CE2 TYR B 17 2.251 8.414 -6.865 1.00 0.00 C ATOM 770 CZ TYR B 17 2.100 7.610 -7.974 1.00 0.00 C ATOM 771 OH TYR B 17 2.449 8.082 -9.217 1.00 0.00 O ATOM 0 H TYR B 17 0.230 4.539 -2.403 1.00 0.00 H new ATOM 0 HA TYR B 17 2.059 4.296 -4.498 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -0.049 5.817 -4.124 1.00 0.00 H new ATOM 0 HB3 TYR B 17 1.077 6.930 -3.373 1.00 0.00 H new ATOM 0 HD1 TYR B 17 0.848 4.862 -6.504 1.00 0.00 H new ATOM 0 HD2 TYR B 17 2.015 8.566 -4.751 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.476 5.711 -8.719 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.646 9.414 -6.969 1.00 0.00 H new ATOM 0 HH TYR B 17 2.788 8.998 -9.136 1.00 0.00 H new ATOM 781 N ALA B 18 3.124 6.065 -1.910 1.00 0.00 N ATOM 782 CA ALA B 18 4.314 6.611 -1.267 1.00 0.00 C ATOM 783 C ALA B 18 5.324 5.519 -0.945 1.00 0.00 C ATOM 784 O ALA B 18 6.521 5.682 -1.182 1.00 0.00 O ATOM 785 CB ALA B 18 3.926 7.363 -0.003 1.00 0.00 C ATOM 0 H ALA B 18 2.265 6.187 -1.374 1.00 0.00 H new ATOM 0 HA ALA B 18 4.786 7.303 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA B 18 4.821 7.767 0.470 1.00 0.00 H new ATOM 0 HB2 ALA B 18 3.251 8.180 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA B 18 3.427 6.682 0.687 1.00 0.00 H new ATOM 791 N ALA B 19 4.837 4.404 -0.417 1.00 0.00 N ATOM 792 CA ALA B 19 5.702 3.285 -0.072 1.00 0.00 C ATOM 793 C ALA B 19 6.385 2.730 -1.315 1.00 0.00 C ATOM 794 O ALA B 19 7.557 2.372 -1.273 1.00 0.00 O ATOM 795 CB ALA B 19 4.910 2.197 0.639 1.00 0.00 C ATOM 0 H ALA B 19 3.848 4.251 -0.219 1.00 0.00 H new ATOM 0 HA ALA B 19 6.474 3.645 0.608 1.00 0.00 H new ATOM 0 HB1 ALA B 19 5.573 1.369 0.889 1.00 0.00 H new ATOM 0 HB2 ALA B 19 4.475 2.602 1.553 1.00 0.00 H new ATOM 0 HB3 ALA B 19 4.114 1.840 -0.015 1.00 0.00 H new ATOM 801 N LYS B 20 5.655 2.676 -2.426 1.00 0.00 N ATOM 802 CA LYS B 20 6.213 2.177 -3.678 1.00 0.00 C ATOM 803 C LYS B 20 7.320 3.098 -4.177 1.00 0.00 C ATOM 804 O LYS B 20 8.295 2.639 -4.775 1.00 0.00 O ATOM 805 CB LYS B 20 5.114 2.010 -4.733 1.00 0.00 C ATOM 806 CG LYS B 20 4.178 0.856 -4.415 1.00 0.00 C ATOM 807 CD LYS B 20 2.976 0.810 -5.341 1.00 0.00 C ATOM 808 CE LYS B 20 1.988 -0.251 -4.877 1.00 0.00 C ATOM 809 NZ LYS B 20 0.826 -0.378 -5.790 1.00 0.00 N ATOM 0 H LYS B 20 4.680 2.970 -2.484 1.00 0.00 H new ATOM 0 HA LYS B 20 6.650 1.196 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.538 2.933 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.572 1.845 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.726 -0.083 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.835 0.944 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.489 1.785 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.301 0.593 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.498 -1.212 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.635 -0.002 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.126 -1.024 -5.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.393 0.557 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 1.144 -0.756 -6.706 1.00 0.00 H new ATOM 823 N GLN B 21 7.199 4.391 -3.891 1.00 0.00 N ATOM 824 CA GLN B 21 8.234 5.342 -4.281 1.00 0.00 C ATOM 825 C GLN B 21 9.424 5.139 -3.369 1.00 0.00 C ATOM 826 O GLN B 21 10.577 5.206 -3.800 1.00 0.00 O ATOM 827 CB GLN B 21 7.746 6.796 -4.188 1.00 0.00 C ATOM 828 CG GLN B 21 6.405 7.055 -4.857 1.00 0.00 C ATOM 829 CD GLN B 21 6.330 6.525 -6.273 1.00 0.00 C ATOM 830 OE1 GLN B 21 7.077 6.949 -7.155 1.00 0.00 O ATOM 831 NE2 GLN B 21 5.417 5.594 -6.498 1.00 0.00 N ATOM 0 H GLN B 21 6.406 4.800 -3.397 1.00 0.00 H new ATOM 0 HA GLN B 21 8.503 5.163 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.673 7.075 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN B 21 8.495 7.447 -4.639 1.00 0.00 H new ATOM 0 HG2 GLN B 21 5.615 6.596 -4.262 1.00 0.00 H new ATOM 0 HG3 GLN B 21 6.213 8.128 -4.867 1.00 0.00 H new ATOM 0 HE21 GLN B 21 4.819 5.272 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN B 21 5.311 5.199 -7.432 1.00 0.00 H new ATOM 840 N LYS B 22 9.127 4.850 -2.106 1.00 0.00 N ATOM 841 CA LYS B 22 10.160 4.590 -1.121 1.00 0.00 C ATOM 842 C LYS B 22 10.942 3.350 -1.515 1.00 0.00 C ATOM 843 O LYS B 22 12.159 3.357 -1.475 1.00 0.00 O ATOM 844 CB LYS B 22 9.570 4.410 0.277 1.00 0.00 C ATOM 845 CG LYS B 22 9.124 5.708 0.927 1.00 0.00 C ATOM 846 CD LYS B 22 8.884 5.528 2.419 1.00 0.00 C ATOM 847 CE LYS B 22 10.179 5.252 3.173 1.00 0.00 C ATOM 848 NZ LYS B 22 11.088 6.430 3.172 1.00 0.00 N ATOM 0 H LYS B 22 8.175 4.791 -1.744 1.00 0.00 H new ATOM 0 HA LYS B 22 10.826 5.453 -1.094 1.00 0.00 H new ATOM 0 HB2 LYS B 22 8.718 3.733 0.217 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.313 3.931 0.916 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.882 6.475 0.769 1.00 0.00 H new ATOM 0 HG3 LYS B 22 8.210 6.060 0.450 1.00 0.00 H new ATOM 0 HD2 LYS B 22 8.413 6.425 2.822 1.00 0.00 H new ATOM 0 HD3 LYS B 22 8.188 4.704 2.578 1.00 0.00 H new ATOM 0 HE2 LYS B 22 9.947 4.974 4.201 1.00 0.00 H new ATOM 0 HE3 LYS B 22 10.688 4.401 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 11.856 6.276 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 11.491 6.557 2.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 10.553 7.282 3.437 1.00 0.00 H new ATOM 862 N VAL B 23 10.234 2.295 -1.916 1.00 0.00 N ATOM 863 CA VAL B 23 10.881 1.054 -2.337 1.00 0.00 C ATOM 864 C VAL B 23 11.915 1.340 -3.424 1.00 0.00 C ATOM 865 O VAL B 23 13.074 0.937 -3.317 1.00 0.00 O ATOM 866 CB VAL B 23 9.866 0.017 -2.875 1.00 0.00 C ATOM 867 CG1 VAL B 23 10.583 -1.243 -3.345 1.00 0.00 C ATOM 868 CG2 VAL B 23 8.818 -0.330 -1.824 1.00 0.00 C ATOM 0 H VAL B 23 9.215 2.275 -1.958 1.00 0.00 H new ATOM 0 HA VAL B 23 11.364 0.635 -1.454 1.00 0.00 H new ATOM 0 HB VAL B 23 9.354 0.466 -3.726 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.852 -1.959 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.282 -0.988 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.129 -1.684 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.120 -1.061 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.309 -0.749 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.275 0.571 -1.541 1.00 0.00 H new ATOM 878 N GLN B 24 11.486 2.055 -4.459 1.00 0.00 N ATOM 879 CA GLN B 24 12.366 2.413 -5.565 1.00 0.00 C ATOM 880 C GLN B 24 13.515 3.283 -5.078 1.00 0.00 C ATOM 881 O GLN B 24 14.664 3.110 -5.493 1.00 0.00 O ATOM 882 CB GLN B 24 11.584 3.170 -6.644 1.00 0.00 C ATOM 883 CG GLN B 24 10.412 2.394 -7.218 1.00 0.00 C ATOM 884 CD GLN B 24 9.527 3.249 -8.108 1.00 0.00 C ATOM 885 OE1 GLN B 24 9.976 3.796 -9.117 1.00 0.00 O ATOM 886 NE2 GLN B 24 8.261 3.372 -7.737 1.00 0.00 N ATOM 0 H GLN B 24 10.530 2.399 -4.555 1.00 0.00 H new ATOM 0 HA GLN B 24 12.769 1.492 -5.986 1.00 0.00 H new ATOM 0 HB2 GLN B 24 11.215 4.105 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN B 24 12.264 3.432 -7.454 1.00 0.00 H new ATOM 0 HG2 GLN B 24 10.788 1.547 -7.792 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.815 1.987 -6.402 1.00 0.00 H new ATOM 0 HE21 GLN B 24 7.929 2.903 -6.895 1.00 0.00 H new ATOM 0 HE22 GLN B 24 7.619 3.936 -8.294 1.00 0.00 H new ATOM 895 N ALA B 25 13.191 4.220 -4.198 1.00 0.00 N ATOM 896 CA ALA B 25 14.181 5.138 -3.646 1.00 0.00 C ATOM 897 C ALA B 25 15.196 4.408 -2.777 1.00 0.00 C ATOM 898 O ALA B 25 16.394 4.583 -2.939 1.00 0.00 O ATOM 899 CB ALA B 25 13.498 6.240 -2.848 1.00 0.00 C ATOM 0 H ALA B 25 12.244 4.366 -3.848 1.00 0.00 H new ATOM 0 HA ALA B 25 14.718 5.587 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA B 25 14.251 6.916 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.823 6.796 -3.499 1.00 0.00 H new ATOM 0 HB3 ALA B 25 12.930 5.798 -2.030 1.00 0.00 H new ATOM 905 N LEU B 26 14.705 3.597 -1.854 1.00 0.00 N ATOM 906 CA LEU B 26 15.559 2.840 -0.945 1.00 0.00 C ATOM 907 C LEU B 26 16.437 1.861 -1.711 1.00 0.00 C ATOM 908 O LEU B 26 17.607 1.668 -1.375 1.00 0.00 O ATOM 909 CB LEU B 26 14.716 2.074 0.068 1.00 0.00 C ATOM 910 CG LEU B 26 13.747 2.913 0.894 1.00 0.00 C ATOM 911 CD1 LEU B 26 12.890 2.019 1.767 1.00 0.00 C ATOM 912 CD2 LEU B 26 14.498 3.919 1.740 1.00 0.00 C ATOM 0 H LEU B 26 13.707 3.443 -1.712 1.00 0.00 H new ATOM 0 HA LEU B 26 16.196 3.552 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.146 1.313 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.387 1.551 0.750 1.00 0.00 H new ATOM 0 HG LEU B 26 13.096 3.460 0.212 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.203 2.631 2.351 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.321 1.334 1.138 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.529 1.448 2.440 1.00 0.00 H new ATOM 0 HD21 LEU B 26 13.788 4.507 2.321 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.174 3.394 2.415 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.074 4.581 1.093 1.00 0.00 H new ATOM 924 N ARG B 27 15.868 1.241 -2.737 1.00 0.00 N ATOM 925 CA ARG B 27 16.600 0.285 -3.548 1.00 0.00 C ATOM 926 C ARG B 27 17.712 0.997 -4.314 1.00 0.00 C ATOM 927 O ARG B 27 18.791 0.449 -4.523 1.00 0.00 O ATOM 928 CB ARG B 27 15.642 -0.414 -4.502 1.00 0.00 C ATOM 929 CG ARG B 27 15.796 -1.919 -4.516 1.00 0.00 C ATOM 930 CD ARG B 27 14.512 -2.596 -4.961 1.00 0.00 C ATOM 931 NE ARG B 27 14.728 -3.992 -5.340 1.00 0.00 N ATOM 932 CZ ARG B 27 15.003 -4.975 -4.475 1.00 0.00 C ATOM 933 NH1 ARG B 27 14.962 -4.752 -3.167 1.00 0.00 N ATOM 934 NH2 ARG B 27 15.286 -6.192 -4.917 1.00 0.00 N ATOM 0 H ARG B 27 14.900 1.385 -3.025 1.00 0.00 H new ATOM 0 HA ARG B 27 17.057 -0.467 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG B 27 14.618 -0.164 -4.224 1.00 0.00 H new ATOM 0 HB3 ARG B 27 15.801 -0.031 -5.510 1.00 0.00 H new ATOM 0 HG2 ARG B 27 16.609 -2.198 -5.186 1.00 0.00 H new ATOM 0 HG3 ARG B 27 16.069 -2.269 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG B 27 13.780 -2.549 -4.155 1.00 0.00 H new ATOM 0 HD3 ARG B 27 14.090 -2.052 -5.807 1.00 0.00 H new ATOM 0 HE ARG B 27 14.665 -4.232 -6.329 1.00 0.00 H new ATOM 0 HH11 ARG B 27 14.719 -3.826 -2.815 1.00 0.00 H new ATOM 0 HH12 ARG B 27 15.173 -5.507 -2.514 1.00 0.00 H new ATOM 0 HH21 ARG B 27 15.295 -6.381 -5.919 1.00 0.00 H new ATOM 0 HH22 ARG B 27 15.495 -6.939 -4.255 1.00 0.00 H new ATOM 948 N HIS B 28 17.439 2.237 -4.694 1.00 0.00 N ATOM 949 CA HIS B 28 18.404 3.069 -5.402 1.00 0.00 C ATOM 950 C HIS B 28 19.447 3.582 -4.410 1.00 0.00 C ATOM 951 O HIS B 28 20.645 3.612 -4.688 1.00 0.00 O ATOM 952 CB HIS B 28 17.669 4.242 -6.050 1.00 0.00 C ATOM 953 CG HIS B 28 18.521 5.106 -6.925 1.00 0.00 C ATOM 954 ND1 HIS B 28 19.196 4.650 -8.031 1.00 0.00 N ATOM 955 CD2 HIS B 28 18.777 6.433 -6.848 1.00 0.00 C ATOM 956 CE1 HIS B 28 19.828 5.690 -8.585 1.00 0.00 C ATOM 957 NE2 HIS B 28 19.605 6.799 -7.903 1.00 0.00 N ATOM 0 H HIS B 28 16.544 2.695 -4.521 1.00 0.00 H new ATOM 0 HA HIS B 28 18.906 2.489 -6.177 1.00 0.00 H new ATOM 0 HB2 HIS B 28 16.841 3.852 -6.643 1.00 0.00 H new ATOM 0 HB3 HIS B 28 17.235 4.860 -5.264 1.00 0.00 H new ATOM 0 HD2 HIS B 28 18.398 7.101 -6.088 1.00 0.00 H new ATOM 0 HE1 HIS B 28 20.440 5.631 -9.473 1.00 0.00 H new ATOM 0 HE2 HIS B 28 19.966 7.731 -8.108 1.00 0.00 H new ATOM 965 N LYS B 29 18.950 3.974 -3.248 1.00 0.00 N ATOM 966 CA LYS B 29 19.756 4.491 -2.150 1.00 0.00 C ATOM 967 C LYS B 29 20.779 3.456 -1.690 1.00 0.00 C ATOM 968 O LYS B 29 21.953 3.771 -1.473 1.00 0.00 O ATOM 969 CB LYS B 29 18.803 4.867 -1.016 1.00 0.00 C ATOM 970 CG LYS B 29 19.446 5.195 0.319 1.00 0.00 C ATOM 971 CD LYS B 29 18.362 5.406 1.366 1.00 0.00 C ATOM 972 CE LYS B 29 18.925 5.683 2.749 1.00 0.00 C ATOM 973 NZ LYS B 29 17.844 5.859 3.757 1.00 0.00 N ATOM 0 H LYS B 29 17.953 3.941 -3.036 1.00 0.00 H new ATOM 0 HA LYS B 29 20.320 5.367 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS B 29 18.215 5.728 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS B 29 18.106 4.043 -0.867 1.00 0.00 H new ATOM 0 HG2 LYS B 29 20.109 4.385 0.624 1.00 0.00 H new ATOM 0 HG3 LYS B 29 20.059 6.092 0.229 1.00 0.00 H new ATOM 0 HD2 LYS B 29 17.728 6.239 1.063 1.00 0.00 H new ATOM 0 HD3 LYS B 29 17.727 4.521 1.408 1.00 0.00 H new ATOM 0 HE2 LYS B 29 19.573 4.860 3.050 1.00 0.00 H new ATOM 0 HE3 LYS B 29 19.543 6.580 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 18.205 6.411 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 17.044 6.362 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 17.526 4.927 4.092 1.00 0.00 H new