USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=7 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= 0.822 K(o=1.1,f=-0.78) USER MOD Set 1.2: B 16 ASN : amide:sc= 0.27 K(o=1.1,f=-3.7!) USER MOD Set 2.1: A 4 GLN : amide:sc= 0.267 K(o=0.85,f=-2.3) USER MOD Set 2.2: A 7 LYS NZ :NH3+ 170:sc= 0.585 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 146:sc= 0.0697 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.23) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00232 X(o=-0.0023,f=0) USER MOD Single : A 21 GLN : amide:sc= -1.35! K(o=-1.4!,f=-0.037) USER MOD Single : A 25 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.4!) USER MOD Single : B 1 GLU N :NH3+ 139:sc= 0.0233 (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+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc= -0.413 K(o=-0.41,f=-1.7) USER MOD Single : B 13 LYS NZ :NH3+ -179:sc= 0.705 (180deg=0.705) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ -162:sc= 1.14 (180deg=0.693) USER MOD Single : B 21 GLN : amide:sc= 0.194 X(o=0.19,f=-0.14) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -1.26! K(o=-1.3!,f=0) USER MOD Single : B 28 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 7 N GLU A 1 -19.598 -1.264 -4.711 1.00 0.00 N ATOM 8 CA GLU A 1 -20.299 -2.052 -3.710 1.00 0.00 C ATOM 9 C GLU A 1 -19.374 -2.364 -2.544 1.00 0.00 C ATOM 10 O GLU A 1 -18.152 -2.391 -2.707 1.00 0.00 O ATOM 11 CB GLU A 1 -20.844 -3.351 -4.318 1.00 0.00 C ATOM 12 CG GLU A 1 -21.734 -4.152 -3.373 1.00 0.00 C ATOM 13 CD GLU A 1 -22.916 -3.360 -2.839 1.00 0.00 C ATOM 14 OE1 GLU A 1 -23.076 -2.178 -3.206 1.00 0.00 O ATOM 15 OE2 GLU A 1 -23.689 -3.919 -2.035 1.00 0.00 O ATOM 0 H1 GLU A 1 -19.942 -1.521 -5.658 1.00 0.00 H new ATOM 0 H2 GLU A 1 -19.773 -0.253 -4.542 1.00 0.00 H new ATOM 0 H3 GLU A 1 -18.577 -1.454 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 1 -21.143 -1.467 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -21.411 -3.110 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -20.006 -3.975 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -22.104 -5.034 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -21.135 -4.506 -2.534 1.00 0.00 H new ATOM 22 N VAL A 2 -19.963 -2.595 -1.372 1.00 0.00 N ATOM 23 CA VAL A 2 -19.206 -2.905 -0.166 1.00 0.00 C ATOM 24 C VAL A 2 -18.187 -4.009 -0.427 1.00 0.00 C ATOM 25 O VAL A 2 -16.993 -3.809 -0.234 1.00 0.00 O ATOM 26 CB VAL A 2 -20.129 -3.347 0.990 1.00 0.00 C ATOM 27 CG1 VAL A 2 -19.329 -3.535 2.269 1.00 0.00 C ATOM 28 CG2 VAL A 2 -21.250 -2.341 1.208 1.00 0.00 C ATOM 0 H VAL A 2 -20.973 -2.572 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.690 -1.989 0.121 1.00 0.00 H new ATOM 0 HB VAL A 2 -20.578 -4.302 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -19.996 -3.846 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.567 -4.299 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -18.849 -2.594 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.885 -2.676 2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.823 -1.369 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -21.845 -2.257 0.299 1.00 0.00 H new ATOM 38 N ALA A 3 -18.677 -5.164 -0.875 1.00 0.00 N ATOM 39 CA ALA A 3 -17.826 -6.317 -1.169 1.00 0.00 C ATOM 40 C ALA A 3 -16.655 -5.943 -2.066 1.00 0.00 C ATOM 41 O ALA A 3 -15.514 -6.319 -1.803 1.00 0.00 O ATOM 42 CB ALA A 3 -18.649 -7.414 -1.818 1.00 0.00 C ATOM 0 H ALA A 3 -19.670 -5.327 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 3 -17.416 -6.676 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -18.009 -8.269 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -19.447 -7.719 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -19.083 -7.042 -2.746 1.00 0.00 H new ATOM 48 N GLN A 4 -16.949 -5.195 -3.116 1.00 0.00 N ATOM 49 CA GLN A 4 -15.934 -4.752 -4.063 1.00 0.00 C ATOM 50 C GLN A 4 -14.871 -3.922 -3.364 1.00 0.00 C ATOM 51 O GLN A 4 -13.675 -4.076 -3.604 1.00 0.00 O ATOM 52 CB GLN A 4 -16.578 -3.898 -5.145 1.00 0.00 C ATOM 53 CG GLN A 4 -17.737 -4.576 -5.862 1.00 0.00 C ATOM 54 CD GLN A 4 -17.324 -5.846 -6.584 1.00 0.00 C ATOM 55 OE1 GLN A 4 -16.971 -6.848 -5.959 1.00 0.00 O ATOM 56 NE2 GLN A 4 -17.348 -5.809 -7.905 1.00 0.00 N ATOM 0 H GLN A 4 -17.893 -4.878 -3.337 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.472 -5.636 -4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -16.934 -2.970 -4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -15.819 -3.627 -5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.517 -4.813 -5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.170 -3.880 -6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.647 -4.961 -8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -17.068 -6.629 -8.443 1.00 0.00 H new ATOM 65 N LEU A 5 -15.332 -3.037 -2.498 1.00 0.00 N ATOM 66 CA LEU A 5 -14.456 -2.162 -1.756 1.00 0.00 C ATOM 67 C LEU A 5 -13.619 -2.953 -0.766 1.00 0.00 C ATOM 68 O LEU A 5 -12.456 -2.635 -0.552 1.00 0.00 O ATOM 69 CB LEU A 5 -15.285 -1.101 -1.048 1.00 0.00 C ATOM 70 CG LEU A 5 -15.963 -0.096 -1.976 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.876 0.821 -1.187 1.00 0.00 C ATOM 72 CD2 LEU A 5 -14.926 0.711 -2.742 1.00 0.00 C ATOM 0 H LEU A 5 -16.323 -2.908 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.769 -1.671 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.050 -1.596 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.641 -0.559 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.567 -0.647 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.351 1.531 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.642 0.229 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.292 1.363 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.430 1.421 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.294 1.252 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.311 0.039 -3.340 1.00 0.00 H new ATOM 84 N GLU A 6 -14.199 -3.995 -0.184 1.00 0.00 N ATOM 85 CA GLU A 6 -13.468 -4.831 0.761 1.00 0.00 C ATOM 86 C GLU A 6 -12.286 -5.474 0.053 1.00 0.00 C ATOM 87 O GLU A 6 -11.190 -5.565 0.603 1.00 0.00 O ATOM 88 CB GLU A 6 -14.360 -5.923 1.349 1.00 0.00 C ATOM 89 CG GLU A 6 -15.724 -5.435 1.791 1.00 0.00 C ATOM 90 CD GLU A 6 -16.410 -6.407 2.722 1.00 0.00 C ATOM 91 OE1 GLU A 6 -15.844 -6.706 3.794 1.00 0.00 O ATOM 92 OE2 GLU A 6 -17.513 -6.882 2.387 1.00 0.00 O ATOM 0 H GLU A 6 -15.165 -4.280 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.123 -4.198 1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.491 -6.710 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.852 -6.372 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.618 -4.472 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.350 -5.273 0.914 1.00 0.00 H new ATOM 99 N LYS A 7 -12.522 -5.901 -1.184 1.00 0.00 N ATOM 100 CA LYS A 7 -11.485 -6.523 -1.999 1.00 0.00 C ATOM 101 C LYS A 7 -10.430 -5.492 -2.373 1.00 0.00 C ATOM 102 O LYS A 7 -9.242 -5.798 -2.471 1.00 0.00 O ATOM 103 CB LYS A 7 -12.102 -7.120 -3.264 1.00 0.00 C ATOM 104 CG LYS A 7 -13.254 -8.067 -2.987 1.00 0.00 C ATOM 105 CD LYS A 7 -13.999 -8.428 -4.260 1.00 0.00 C ATOM 106 CE LYS A 7 -15.263 -9.210 -3.950 1.00 0.00 C ATOM 107 NZ LYS A 7 -16.009 -9.575 -5.182 1.00 0.00 N ATOM 0 H LYS A 7 -13.428 -5.827 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.014 -7.320 -1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.453 -6.311 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.330 -7.653 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.875 -8.974 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.943 -7.606 -2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.254 -7.520 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.352 -9.019 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.003 -10.116 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.906 -8.617 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.767 -10.246 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.425 -8.719 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.359 -10.015 -5.864 1.00 0.00 H new ATOM 121 N GLU A 8 -10.883 -4.264 -2.577 1.00 0.00 N ATOM 122 CA GLU A 8 -10.008 -3.159 -2.936 1.00 0.00 C ATOM 123 C GLU A 8 -9.169 -2.740 -1.729 1.00 0.00 C ATOM 124 O GLU A 8 -7.959 -2.530 -1.836 1.00 0.00 O ATOM 125 CB GLU A 8 -10.859 -1.994 -3.434 1.00 0.00 C ATOM 126 CG GLU A 8 -10.064 -0.850 -4.023 1.00 0.00 C ATOM 127 CD GLU A 8 -9.277 -1.253 -5.254 1.00 0.00 C ATOM 128 OE1 GLU A 8 -9.885 -1.770 -6.211 1.00 0.00 O ATOM 129 OE2 GLU A 8 -8.045 -1.043 -5.277 1.00 0.00 O ATOM 0 H GLU A 8 -11.867 -4.006 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.327 -3.469 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.555 -2.363 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.458 -1.616 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.743 -0.037 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.378 -0.465 -3.269 1.00 0.00 H new ATOM 136 N VAL A 9 -9.817 -2.649 -0.573 1.00 0.00 N ATOM 137 CA VAL A 9 -9.139 -2.291 0.663 1.00 0.00 C ATOM 138 C VAL A 9 -8.113 -3.367 0.998 1.00 0.00 C ATOM 139 O VAL A 9 -6.973 -3.067 1.350 1.00 0.00 O ATOM 140 CB VAL A 9 -10.133 -2.120 1.840 1.00 0.00 C ATOM 141 CG1 VAL A 9 -9.397 -1.968 3.161 1.00 0.00 C ATOM 142 CG2 VAL A 9 -11.033 -0.915 1.612 1.00 0.00 C ATOM 0 H VAL A 9 -10.817 -2.820 -0.468 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.644 -1.331 0.516 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.747 -3.019 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.119 -1.850 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.790 -2.855 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.752 -1.090 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.723 -0.813 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.423 -0.015 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.599 -1.053 0.690 1.00 0.00 H new ATOM 152 N ALA A 10 -8.522 -4.622 0.845 1.00 0.00 N ATOM 153 CA ALA A 10 -7.643 -5.753 1.100 1.00 0.00 C ATOM 154 C ALA A 10 -6.506 -5.781 0.086 1.00 0.00 C ATOM 155 O ALA A 10 -5.423 -6.287 0.368 1.00 0.00 O ATOM 156 CB ALA A 10 -8.422 -7.059 1.058 1.00 0.00 C ATOM 0 H ALA A 10 -9.462 -4.880 0.544 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.218 -5.639 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.746 -7.892 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.203 -7.041 1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.876 -7.180 0.074 1.00 0.00 H new ATOM 162 N GLN A 11 -6.758 -5.215 -1.089 1.00 0.00 N ATOM 163 CA GLN A 11 -5.759 -5.151 -2.144 1.00 0.00 C ATOM 164 C GLN A 11 -4.650 -4.213 -1.714 1.00 0.00 C ATOM 165 O GLN A 11 -3.465 -4.549 -1.761 1.00 0.00 O ATOM 166 CB GLN A 11 -6.393 -4.644 -3.443 1.00 0.00 C ATOM 167 CG GLN A 11 -5.509 -4.813 -4.669 1.00 0.00 C ATOM 168 CD GLN A 11 -5.345 -6.261 -5.102 1.00 0.00 C ATOM 169 OE1 GLN A 11 -4.623 -6.551 -6.055 1.00 0.00 O ATOM 170 NE2 GLN A 11 -6.014 -7.178 -4.416 1.00 0.00 N ATOM 0 H GLN A 11 -7.653 -4.792 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.354 -6.147 -2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.331 -5.174 -3.608 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.639 -3.588 -3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.932 -4.241 -5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.526 -4.391 -4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.603 -6.899 -3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.939 -8.162 -4.673 1.00 0.00 H new ATOM 179 N ALA A 12 -5.057 -3.035 -1.268 1.00 0.00 N ATOM 180 CA ALA A 12 -4.123 -2.032 -0.798 1.00 0.00 C ATOM 181 C ALA A 12 -3.437 -2.502 0.473 1.00 0.00 C ATOM 182 O ALA A 12 -2.230 -2.341 0.619 1.00 0.00 O ATOM 183 CB ALA A 12 -4.829 -0.712 -0.571 1.00 0.00 C ATOM 0 H ALA A 12 -6.036 -2.752 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.361 -1.882 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.111 0.029 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.272 -0.371 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.613 -0.842 0.175 1.00 0.00 H new ATOM 189 N GLU A 13 -4.213 -3.104 1.373 1.00 0.00 N ATOM 190 CA GLU A 13 -3.683 -3.627 2.628 1.00 0.00 C ATOM 191 C GLU A 13 -2.615 -4.683 2.358 1.00 0.00 C ATOM 192 O GLU A 13 -1.579 -4.705 3.015 1.00 0.00 O ATOM 193 CB GLU A 13 -4.812 -4.224 3.476 1.00 0.00 C ATOM 194 CG GLU A 13 -5.427 -3.250 4.470 1.00 0.00 C ATOM 195 CD GLU A 13 -4.521 -2.960 5.654 1.00 0.00 C ATOM 196 OE1 GLU A 13 -3.392 -3.487 5.698 1.00 0.00 O ATOM 197 OE2 GLU A 13 -4.943 -2.213 6.561 1.00 0.00 O ATOM 0 H GLU A 13 -5.217 -3.241 1.254 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.228 -2.804 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.595 -4.591 2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.426 -5.086 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.658 -2.315 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.371 -3.657 4.833 1.00 0.00 H new ATOM 204 N ALA A 14 -2.870 -5.542 1.374 1.00 0.00 N ATOM 205 CA ALA A 14 -1.924 -6.588 1.002 1.00 0.00 C ATOM 206 C ALA A 14 -0.596 -5.975 0.579 1.00 0.00 C ATOM 207 O ALA A 14 0.463 -6.352 1.086 1.00 0.00 O ATOM 208 CB ALA A 14 -2.489 -7.447 -0.117 1.00 0.00 C ATOM 0 H ALA A 14 -3.726 -5.533 0.820 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.754 -7.223 1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.769 -8.221 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.417 -7.912 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.687 -6.824 -0.989 1.00 0.00 H new ATOM 214 N GLU A 15 -0.668 -5.010 -0.331 1.00 0.00 N ATOM 215 CA GLU A 15 0.520 -4.319 -0.805 1.00 0.00 C ATOM 216 C GLU A 15 1.170 -3.555 0.337 1.00 0.00 C ATOM 217 O GLU A 15 2.365 -3.677 0.568 1.00 0.00 O ATOM 218 CB GLU A 15 0.180 -3.344 -1.932 1.00 0.00 C ATOM 219 CG GLU A 15 -0.031 -3.999 -3.284 1.00 0.00 C ATOM 220 CD GLU A 15 -0.350 -2.989 -4.370 1.00 0.00 C ATOM 221 OE1 GLU A 15 -0.566 -1.802 -4.044 1.00 0.00 O ATOM 222 OE2 GLU A 15 -0.383 -3.374 -5.558 1.00 0.00 O ATOM 0 H GLU A 15 -1.539 -4.690 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 15 1.211 -5.070 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.723 -2.796 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.983 -2.612 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.865 -4.555 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.844 -4.721 -3.212 1.00 0.00 H new ATOM 229 N ASN A 16 0.357 -2.775 1.045 1.00 0.00 N ATOM 230 CA ASN A 16 0.811 -1.966 2.178 1.00 0.00 C ATOM 231 C ASN A 16 1.580 -2.825 3.177 1.00 0.00 C ATOM 232 O ASN A 16 2.650 -2.442 3.655 1.00 0.00 O ATOM 233 CB ASN A 16 -0.411 -1.327 2.853 1.00 0.00 C ATOM 234 CG ASN A 16 -0.085 -0.124 3.721 1.00 0.00 C ATOM 235 OD1 ASN A 16 0.608 -0.230 4.730 1.00 0.00 O ATOM 236 ND2 ASN A 16 -0.608 1.035 3.339 1.00 0.00 N ATOM 0 H ASN A 16 -0.640 -2.684 0.850 1.00 0.00 H new ATOM 0 HA ASN A 16 1.483 -1.186 1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.120 -1.024 2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.908 -2.079 3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.439 1.877 3.890 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.178 1.084 2.495 1.00 0.00 H new ATOM 243 N TYR A 17 1.028 -3.995 3.467 1.00 0.00 N ATOM 244 CA TYR A 17 1.636 -4.939 4.393 1.00 0.00 C ATOM 245 C TYR A 17 3.021 -5.361 3.903 1.00 0.00 C ATOM 246 O TYR A 17 3.956 -5.507 4.691 1.00 0.00 O ATOM 247 CB TYR A 17 0.731 -6.166 4.533 1.00 0.00 C ATOM 248 CG TYR A 17 1.144 -7.124 5.624 1.00 0.00 C ATOM 249 CD1 TYR A 17 1.239 -6.704 6.943 1.00 0.00 C ATOM 250 CD2 TYR A 17 1.431 -8.451 5.334 1.00 0.00 C ATOM 251 CE1 TYR A 17 1.610 -7.580 7.945 1.00 0.00 C ATOM 252 CE2 TYR A 17 1.803 -9.332 6.329 1.00 0.00 C ATOM 253 CZ TYR A 17 1.891 -8.894 7.633 1.00 0.00 C ATOM 254 OH TYR A 17 2.265 -9.771 8.629 1.00 0.00 O ATOM 0 H TYR A 17 0.146 -4.316 3.067 1.00 0.00 H new ATOM 0 HA TYR A 17 1.751 -4.458 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.288 -5.831 4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.715 -6.701 3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.019 -5.676 7.190 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.362 -8.799 4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.680 -7.238 8.967 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.024 -10.361 6.087 1.00 0.00 H new ATOM 0 HH TYR A 17 2.426 -10.657 8.242 1.00 0.00 H new ATOM 264 N GLN A 18 3.143 -5.553 2.597 1.00 0.00 N ATOM 265 CA GLN A 18 4.408 -5.959 2.001 1.00 0.00 C ATOM 266 C GLN A 18 5.370 -4.782 1.876 1.00 0.00 C ATOM 267 O GLN A 18 6.579 -4.945 2.038 1.00 0.00 O ATOM 268 CB GLN A 18 4.182 -6.585 0.626 1.00 0.00 C ATOM 269 CG GLN A 18 3.440 -7.911 0.670 1.00 0.00 C ATOM 270 CD GLN A 18 3.332 -8.550 -0.697 1.00 0.00 C ATOM 271 OE1 GLN A 18 2.717 -7.995 -1.609 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.939 -9.712 -0.853 1.00 0.00 N ATOM 0 H GLN A 18 2.381 -5.434 1.930 1.00 0.00 H new ATOM 0 HA GLN A 18 4.855 -6.700 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.621 -5.886 0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.147 -6.735 0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.955 -8.592 1.348 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.441 -7.753 1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.437 -10.136 -0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.910 -10.185 -1.756 1.00 0.00 H new ATOM 281 N LEU A 19 4.830 -3.602 1.584 1.00 0.00 N ATOM 282 CA LEU A 19 5.646 -2.402 1.433 1.00 0.00 C ATOM 283 C LEU A 19 6.424 -2.131 2.710 1.00 0.00 C ATOM 284 O LEU A 19 7.617 -1.846 2.665 1.00 0.00 O ATOM 285 CB LEU A 19 4.788 -1.185 1.081 1.00 0.00 C ATOM 286 CG LEU A 19 3.877 -1.347 -0.138 1.00 0.00 C ATOM 287 CD1 LEU A 19 3.245 -0.020 -0.499 1.00 0.00 C ATOM 288 CD2 LEU A 19 4.635 -1.914 -1.327 1.00 0.00 C ATOM 0 H LEU A 19 3.830 -3.452 1.447 1.00 0.00 H new ATOM 0 HA LEU A 19 6.344 -2.576 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.170 -0.937 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.448 -0.335 0.908 1.00 0.00 H new ATOM 0 HG LEU A 19 3.091 -2.055 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.599 -0.149 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.654 0.342 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.026 0.704 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.958 -2.016 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.451 -1.242 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.041 -2.892 -1.067 1.00 0.00 H new ATOM 300 N GLU A 20 5.747 -2.241 3.847 1.00 0.00 N ATOM 301 CA GLU A 20 6.385 -2.023 5.138 1.00 0.00 C ATOM 302 C GLU A 20 7.521 -3.019 5.344 1.00 0.00 C ATOM 303 O GLU A 20 8.609 -2.651 5.793 1.00 0.00 O ATOM 304 CB GLU A 20 5.359 -2.148 6.265 1.00 0.00 C ATOM 305 CG GLU A 20 4.349 -1.011 6.304 1.00 0.00 C ATOM 306 CD GLU A 20 4.985 0.314 6.664 1.00 0.00 C ATOM 307 OE1 GLU A 20 5.671 0.382 7.708 1.00 0.00 O ATOM 308 OE2 GLU A 20 4.799 1.295 5.921 1.00 0.00 O ATOM 0 H GLU A 20 4.757 -2.480 3.900 1.00 0.00 H new ATOM 0 HA GLU A 20 6.800 -1.015 5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.825 -3.092 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.884 -2.188 7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.864 -0.926 5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.570 -1.246 7.029 1.00 0.00 H new ATOM 315 N GLN A 21 7.267 -4.276 4.991 1.00 0.00 N ATOM 316 CA GLN A 21 8.269 -5.331 5.113 1.00 0.00 C ATOM 317 C GLN A 21 9.454 -5.046 4.197 1.00 0.00 C ATOM 318 O GLN A 21 10.611 -5.220 4.587 1.00 0.00 O ATOM 319 CB GLN A 21 7.662 -6.690 4.762 1.00 0.00 C ATOM 320 CG GLN A 21 6.570 -7.140 5.722 1.00 0.00 C ATOM 321 CD GLN A 21 5.864 -8.408 5.269 1.00 0.00 C ATOM 322 OE1 GLN A 21 5.002 -8.932 5.970 1.00 0.00 O ATOM 323 NE2 GLN A 21 6.217 -8.903 4.092 1.00 0.00 N ATOM 0 H GLN A 21 6.372 -4.590 4.617 1.00 0.00 H new ATOM 0 HA GLN A 21 8.615 -5.355 6.146 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.251 -6.644 3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.454 -7.439 4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.006 -7.306 6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.836 -6.341 5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.937 -8.439 3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.768 -9.748 3.739 1.00 0.00 H new ATOM 332 N GLU A 22 9.151 -4.607 2.981 1.00 0.00 N ATOM 333 CA GLU A 22 10.170 -4.289 1.997 1.00 0.00 C ATOM 334 C GLU A 22 10.996 -3.092 2.461 1.00 0.00 C ATOM 335 O GLU A 22 12.225 -3.108 2.393 1.00 0.00 O ATOM 336 CB GLU A 22 9.514 -3.983 0.654 1.00 0.00 C ATOM 337 CG GLU A 22 10.473 -4.036 -0.517 1.00 0.00 C ATOM 338 CD GLU A 22 10.869 -5.451 -0.881 1.00 0.00 C ATOM 339 OE1 GLU A 22 9.987 -6.225 -1.303 1.00 0.00 O ATOM 340 OE2 GLU A 22 12.062 -5.793 -0.765 1.00 0.00 O ATOM 0 H GLU A 22 8.196 -4.463 2.654 1.00 0.00 H new ATOM 0 HA GLU A 22 10.832 -5.147 1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.706 -4.695 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.062 -2.992 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.012 -3.558 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.368 -3.463 -0.275 1.00 0.00 H new ATOM 347 N VAL A 23 10.308 -2.059 2.948 1.00 0.00 N ATOM 348 CA VAL A 23 10.972 -0.861 3.437 1.00 0.00 C ATOM 349 C VAL A 23 11.872 -1.199 4.616 1.00 0.00 C ATOM 350 O VAL A 23 13.023 -0.774 4.659 1.00 0.00 O ATOM 351 CB VAL A 23 9.952 0.232 3.834 1.00 0.00 C ATOM 352 CG1 VAL A 23 10.604 1.319 4.678 1.00 0.00 C ATOM 353 CG2 VAL A 23 9.327 0.841 2.587 1.00 0.00 C ATOM 0 H VAL A 23 9.290 -2.032 3.012 1.00 0.00 H new ATOM 0 HA VAL A 23 11.583 -0.465 2.626 1.00 0.00 H new ATOM 0 HB VAL A 23 9.173 -0.237 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.860 2.071 4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.010 0.878 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.409 1.787 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.610 1.609 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 23 10.107 1.287 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.815 0.064 2.020 1.00 0.00 H new ATOM 363 N ALA A 24 11.356 -1.984 5.558 1.00 0.00 N ATOM 364 CA ALA A 24 12.140 -2.390 6.718 1.00 0.00 C ATOM 365 C ALA A 24 13.399 -3.113 6.276 1.00 0.00 C ATOM 366 O ALA A 24 14.482 -2.878 6.809 1.00 0.00 O ATOM 367 CB ALA A 24 11.330 -3.285 7.642 1.00 0.00 C ATOM 0 H ALA A 24 10.404 -2.349 5.540 1.00 0.00 H new ATOM 0 HA ALA A 24 12.416 -1.489 7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.941 -3.572 8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.448 -2.746 7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.019 -4.179 7.102 1.00 0.00 H new ATOM 373 N GLN A 25 13.248 -3.984 5.284 1.00 0.00 N ATOM 374 CA GLN A 25 14.369 -4.739 4.752 1.00 0.00 C ATOM 375 C GLN A 25 15.407 -3.795 4.164 1.00 0.00 C ATOM 376 O GLN A 25 16.577 -3.873 4.504 1.00 0.00 O ATOM 377 CB GLN A 25 13.897 -5.734 3.686 1.00 0.00 C ATOM 378 CG GLN A 25 14.988 -6.680 3.206 1.00 0.00 C ATOM 379 CD GLN A 25 15.462 -7.625 4.295 1.00 0.00 C ATOM 380 OE1 GLN A 25 15.892 -7.199 5.369 1.00 0.00 O ATOM 381 NE2 GLN A 25 15.407 -8.918 4.020 1.00 0.00 N ATOM 0 H GLN A 25 12.355 -4.183 4.833 1.00 0.00 H new ATOM 0 HA GLN A 25 14.823 -5.300 5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 25 13.072 -6.321 4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 25 13.507 -5.180 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.615 -7.261 2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 25 15.834 -6.098 2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 25 15.045 -9.233 3.120 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.727 -9.600 4.708 1.00 0.00 H new ATOM 390 N LEU A 26 14.969 -2.899 3.290 1.00 0.00 N ATOM 391 CA LEU A 26 15.870 -1.941 2.659 1.00 0.00 C ATOM 392 C LEU A 26 16.527 -1.023 3.685 1.00 0.00 C ATOM 393 O LEU A 26 17.729 -0.783 3.623 1.00 0.00 O ATOM 394 CB LEU A 26 15.126 -1.123 1.610 1.00 0.00 C ATOM 395 CG LEU A 26 14.620 -1.936 0.421 1.00 0.00 C ATOM 396 CD1 LEU A 26 13.818 -1.066 -0.530 1.00 0.00 C ATOM 397 CD2 LEU A 26 15.793 -2.571 -0.304 1.00 0.00 C ATOM 0 H LEU A 26 13.994 -2.815 3.001 1.00 0.00 H new ATOM 0 HA LEU A 26 16.663 -2.507 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.278 -0.630 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.787 -0.338 1.243 1.00 0.00 H new ATOM 0 HG LEU A 26 13.962 -2.722 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.469 -1.669 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.961 -0.646 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.447 -0.257 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.427 -3.150 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.466 -1.791 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.330 -3.229 0.379 1.00 0.00 H new ATOM 409 N GLU A 27 15.742 -0.529 4.636 1.00 0.00 N ATOM 410 CA GLU A 27 16.261 0.347 5.687 1.00 0.00 C ATOM 411 C GLU A 27 17.317 -0.385 6.507 1.00 0.00 C ATOM 412 O GLU A 27 18.368 0.170 6.826 1.00 0.00 O ATOM 413 CB GLU A 27 15.126 0.812 6.604 1.00 0.00 C ATOM 414 CG GLU A 27 14.190 1.817 5.956 1.00 0.00 C ATOM 415 CD GLU A 27 14.645 3.249 6.143 1.00 0.00 C ATOM 416 OE1 GLU A 27 15.803 3.565 5.794 1.00 0.00 O ATOM 417 OE2 GLU A 27 13.843 4.069 6.643 1.00 0.00 O ATOM 0 H GLU A 27 14.742 -0.719 4.703 1.00 0.00 H new ATOM 0 HA GLU A 27 16.714 1.219 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.549 -0.056 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.555 1.256 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.114 1.601 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.191 1.700 6.377 1.00 0.00 H new ATOM 483 N GLU B 1 -18.953 0.310 5.780 1.00 0.00 N ATOM 484 CA GLU B 1 -19.712 1.275 4.998 1.00 0.00 C ATOM 485 C GLU B 1 -19.010 1.562 3.676 1.00 0.00 C ATOM 486 O GLU B 1 -17.785 1.622 3.620 1.00 0.00 O ATOM 487 CB GLU B 1 -19.890 2.571 5.791 1.00 0.00 C ATOM 488 CG GLU B 1 -20.740 3.616 5.083 1.00 0.00 C ATOM 489 CD GLU B 1 -20.742 4.957 5.789 1.00 0.00 C ATOM 490 OE1 GLU B 1 -19.989 5.127 6.770 1.00 0.00 O ATOM 491 OE2 GLU B 1 -21.495 5.853 5.358 1.00 0.00 O ATOM 0 H1 GLU B 1 -18.955 0.595 6.780 1.00 0.00 H new ATOM 0 H2 GLU B 1 -19.387 -0.630 5.687 1.00 0.00 H new ATOM 0 H3 GLU B 1 -17.974 0.275 5.432 1.00 0.00 H new ATOM 0 HA GLU B 1 -20.694 0.852 4.785 1.00 0.00 H new ATOM 0 HB2 GLU B 1 -20.346 2.337 6.753 1.00 0.00 H new ATOM 0 HB3 GLU B 1 -18.908 2.996 5.999 1.00 0.00 H new ATOM 0 HG2 GLU B 1 -20.371 3.748 4.066 1.00 0.00 H new ATOM 0 HG3 GLU B 1 -21.764 3.251 5.006 1.00 0.00 H new ATOM 498 N VAL B 2 -19.793 1.751 2.620 1.00 0.00 N ATOM 499 CA VAL B 2 -19.248 2.051 1.298 1.00 0.00 C ATOM 500 C VAL B 2 -18.408 3.319 1.356 1.00 0.00 C ATOM 501 O VAL B 2 -17.236 3.324 0.985 1.00 0.00 O ATOM 502 CB VAL B 2 -20.368 2.234 0.251 1.00 0.00 C ATOM 503 CG1 VAL B 2 -19.818 2.821 -1.042 1.00 0.00 C ATOM 504 CG2 VAL B 2 -21.063 0.910 -0.018 1.00 0.00 C ATOM 0 H VAL B 2 -20.811 1.702 2.653 1.00 0.00 H new ATOM 0 HA VAL B 2 -18.629 1.206 0.998 1.00 0.00 H new ATOM 0 HB VAL B 2 -21.098 2.935 0.655 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -20.628 2.939 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -19.369 3.793 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -19.062 2.151 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -21.850 1.056 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -20.338 0.189 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -21.500 0.534 0.907 1.00 0.00 H new ATOM 514 N GLN B 3 -19.026 4.381 1.849 1.00 0.00 N ATOM 515 CA GLN B 3 -18.371 5.673 1.996 1.00 0.00 C ATOM 516 C GLN B 3 -17.097 5.528 2.821 1.00 0.00 C ATOM 517 O GLN B 3 -16.060 6.111 2.504 1.00 0.00 O ATOM 518 CB GLN B 3 -19.344 6.639 2.671 1.00 0.00 C ATOM 519 CG GLN B 3 -18.720 7.941 3.134 1.00 0.00 C ATOM 520 CD GLN B 3 -19.728 8.845 3.815 1.00 0.00 C ATOM 521 OE1 GLN B 3 -20.608 9.414 3.169 1.00 0.00 O ATOM 522 NE2 GLN B 3 -19.628 8.954 5.129 1.00 0.00 N ATOM 0 H GLN B 3 -19.998 4.372 2.159 1.00 0.00 H new ATOM 0 HA GLN B 3 -18.092 6.062 1.017 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -20.152 6.866 1.975 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -19.793 6.141 3.530 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -17.903 7.726 3.823 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -18.288 8.460 2.278 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -18.883 8.465 5.626 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -20.296 9.527 5.646 1.00 0.00 H new ATOM 531 N ALA B 4 -17.191 4.728 3.868 1.00 0.00 N ATOM 532 CA ALA B 4 -16.071 4.470 4.754 1.00 0.00 C ATOM 533 C ALA B 4 -14.941 3.739 4.031 1.00 0.00 C ATOM 534 O ALA B 4 -13.772 4.116 4.144 1.00 0.00 O ATOM 535 CB ALA B 4 -16.545 3.652 5.945 1.00 0.00 C ATOM 0 H ALA B 4 -18.047 4.238 4.128 1.00 0.00 H new ATOM 0 HA ALA B 4 -15.679 5.427 5.097 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -15.704 3.458 6.611 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -17.314 4.206 6.484 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -16.957 2.705 5.595 1.00 0.00 H new ATOM 541 N LEU B 5 -15.293 2.688 3.306 1.00 0.00 N ATOM 542 CA LEU B 5 -14.317 1.887 2.588 1.00 0.00 C ATOM 543 C LEU B 5 -13.667 2.664 1.454 1.00 0.00 C ATOM 544 O LEU B 5 -12.477 2.497 1.198 1.00 0.00 O ATOM 545 CB LEU B 5 -14.960 0.606 2.055 1.00 0.00 C ATOM 546 CG LEU B 5 -15.417 -0.387 3.129 1.00 0.00 C ATOM 547 CD1 LEU B 5 -16.081 -1.597 2.493 1.00 0.00 C ATOM 548 CD2 LEU B 5 -14.243 -0.820 3.994 1.00 0.00 C ATOM 0 H LEU B 5 -16.256 2.369 3.200 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.532 1.622 3.296 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -15.820 0.877 1.443 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.247 0.106 1.399 1.00 0.00 H new ATOM 0 HG LEU B 5 -16.148 0.113 3.765 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -16.398 -2.290 3.273 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -16.949 -1.275 1.918 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.372 -2.095 1.831 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -14.589 -1.525 4.750 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.488 -1.299 3.370 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -13.810 0.053 4.483 1.00 0.00 H new ATOM 560 N LYS B 6 -14.428 3.516 0.778 1.00 0.00 N ATOM 561 CA LYS B 6 -13.873 4.300 -0.313 1.00 0.00 C ATOM 562 C LYS B 6 -12.778 5.223 0.203 1.00 0.00 C ATOM 563 O LYS B 6 -11.722 5.363 -0.418 1.00 0.00 O ATOM 564 CB LYS B 6 -14.966 5.098 -1.010 1.00 0.00 C ATOM 565 CG LYS B 6 -15.994 4.221 -1.696 1.00 0.00 C ATOM 566 CD LYS B 6 -17.032 5.042 -2.427 1.00 0.00 C ATOM 567 CE LYS B 6 -16.441 5.742 -3.641 1.00 0.00 C ATOM 568 NZ LYS B 6 -17.487 6.407 -4.458 1.00 0.00 N ATOM 0 H LYS B 6 -15.418 3.679 0.964 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.434 3.618 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.467 5.732 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -14.511 5.760 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -15.493 3.557 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -16.485 3.589 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -17.851 4.396 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -17.454 5.784 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -15.710 6.482 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -15.907 5.016 -4.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -17.045 6.873 -5.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -18.170 5.697 -4.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -17.980 7.117 -3.880 1.00 0.00 H new ATOM 582 N LYS B 7 -13.022 5.821 1.362 1.00 0.00 N ATOM 583 CA LYS B 7 -12.042 6.700 1.986 1.00 0.00 C ATOM 584 C LYS B 7 -10.834 5.888 2.437 1.00 0.00 C ATOM 585 O LYS B 7 -9.702 6.373 2.424 1.00 0.00 O ATOM 586 CB LYS B 7 -12.658 7.456 3.166 1.00 0.00 C ATOM 587 CG LYS B 7 -13.292 8.782 2.772 1.00 0.00 C ATOM 588 CD LYS B 7 -14.454 8.601 1.807 1.00 0.00 C ATOM 589 CE LYS B 7 -14.934 9.938 1.272 1.00 0.00 C ATOM 590 NZ LYS B 7 -16.064 9.792 0.317 1.00 0.00 N ATOM 0 H LYS B 7 -13.889 5.714 1.888 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.718 7.438 1.252 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -13.413 6.826 3.636 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -11.886 7.639 3.913 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.643 9.295 3.668 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -12.538 9.421 2.313 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -14.146 7.964 0.978 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.275 8.092 2.313 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -15.244 10.569 2.105 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -14.107 10.447 0.777 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -16.357 10.731 -0.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -15.762 9.212 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -16.865 9.331 0.794 1.00 0.00 H new ATOM 604 N ARG B 8 -11.081 4.630 2.797 1.00 0.00 N ATOM 605 CA ARG B 8 -10.015 3.732 3.211 1.00 0.00 C ATOM 606 C ARG B 8 -9.112 3.454 2.016 1.00 0.00 C ATOM 607 O ARG B 8 -7.888 3.511 2.117 1.00 0.00 O ATOM 608 CB ARG B 8 -10.585 2.413 3.738 1.00 0.00 C ATOM 609 CG ARG B 8 -9.533 1.517 4.366 1.00 0.00 C ATOM 610 CD ARG B 8 -9.154 2.004 5.756 1.00 0.00 C ATOM 611 NE ARG B 8 -7.795 1.619 6.134 1.00 0.00 N ATOM 612 CZ ARG B 8 -7.376 0.362 6.282 1.00 0.00 C ATOM 613 NH1 ARG B 8 -8.239 -0.649 6.202 1.00 0.00 N ATOM 614 NH2 ARG B 8 -6.102 0.128 6.558 1.00 0.00 N ATOM 0 H ARG B 8 -12.012 4.213 2.809 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.448 4.204 4.013 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -11.358 2.627 4.476 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.066 1.879 2.918 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -9.910 0.496 4.426 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.647 1.493 3.732 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.244 3.090 5.794 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.858 1.600 6.483 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.119 2.366 6.296 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.227 -0.464 6.027 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -7.912 -1.609 6.316 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -5.450 0.906 6.656 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -5.773 -0.831 6.673 1.00 0.00 H new ATOM 628 N VAL B 9 -9.746 3.177 0.881 1.00 0.00 N ATOM 629 CA VAL B 9 -9.044 2.904 -0.366 1.00 0.00 C ATOM 630 C VAL B 9 -8.142 4.074 -0.746 1.00 0.00 C ATOM 631 O VAL B 9 -6.967 3.887 -1.061 1.00 0.00 O ATOM 632 CB VAL B 9 -10.047 2.631 -1.515 1.00 0.00 C ATOM 633 CG1 VAL B 9 -9.337 2.539 -2.858 1.00 0.00 C ATOM 634 CG2 VAL B 9 -10.831 1.358 -1.241 1.00 0.00 C ATOM 0 H VAL B 9 -10.762 3.136 0.801 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.430 2.016 -0.212 1.00 0.00 H new ATOM 0 HB VAL B 9 -10.742 3.470 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -10.068 2.347 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -8.823 3.478 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -8.611 1.726 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -11.532 1.179 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -10.143 0.516 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -11.382 1.464 -0.306 1.00 0.00 H new ATOM 644 N GLN B 10 -8.702 5.276 -0.708 1.00 0.00 N ATOM 645 CA GLN B 10 -7.955 6.481 -1.051 1.00 0.00 C ATOM 646 C GLN B 10 -6.789 6.705 -0.092 1.00 0.00 C ATOM 647 O GLN B 10 -5.700 7.100 -0.514 1.00 0.00 O ATOM 648 CB GLN B 10 -8.881 7.699 -1.048 1.00 0.00 C ATOM 649 CG GLN B 10 -10.029 7.606 -2.042 1.00 0.00 C ATOM 650 CD GLN B 10 -9.561 7.516 -3.485 1.00 0.00 C ATOM 651 OE1 GLN B 10 -8.974 6.516 -3.906 1.00 0.00 O ATOM 652 NE2 GLN B 10 -9.806 8.566 -4.251 1.00 0.00 N ATOM 0 H GLN B 10 -9.673 5.444 -0.443 1.00 0.00 H new ATOM 0 HA GLN B 10 -7.546 6.346 -2.052 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -9.291 7.828 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -8.293 8.590 -1.270 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -10.635 6.731 -1.807 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -10.672 8.479 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -10.294 9.375 -3.867 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -9.507 8.567 -5.226 1.00 0.00 H new ATOM 661 N ALA B 11 -7.019 6.442 1.190 1.00 0.00 N ATOM 662 CA ALA B 11 -5.984 6.610 2.201 1.00 0.00 C ATOM 663 C ALA B 11 -4.875 5.584 2.011 1.00 0.00 C ATOM 664 O ALA B 11 -3.691 5.922 2.037 1.00 0.00 O ATOM 665 CB ALA B 11 -6.581 6.497 3.593 1.00 0.00 C ATOM 0 H ALA B 11 -7.913 6.112 1.553 1.00 0.00 H new ATOM 0 HA ALA B 11 -5.552 7.604 2.089 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.795 6.625 4.337 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -7.338 7.270 3.728 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -7.039 5.515 3.714 1.00 0.00 H new ATOM 671 N LEU B 12 -5.266 4.332 1.809 1.00 0.00 N ATOM 672 CA LEU B 12 -4.308 3.255 1.601 1.00 0.00 C ATOM 673 C LEU B 12 -3.474 3.503 0.356 1.00 0.00 C ATOM 674 O LEU B 12 -2.261 3.446 0.415 1.00 0.00 O ATOM 675 CB LEU B 12 -5.018 1.909 1.483 1.00 0.00 C ATOM 676 CG LEU B 12 -5.511 1.311 2.795 1.00 0.00 C ATOM 677 CD1 LEU B 12 -6.562 0.248 2.529 1.00 0.00 C ATOM 678 CD2 LEU B 12 -4.346 0.704 3.563 1.00 0.00 C ATOM 0 H LEU B 12 -6.242 4.038 1.785 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.648 3.231 2.468 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.870 2.025 0.814 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.338 1.199 1.013 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.957 2.106 3.393 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -6.905 -0.170 3.476 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.406 0.694 2.003 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.131 -0.545 1.917 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -4.709 0.279 4.499 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.884 -0.081 2.964 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -3.609 1.478 3.777 1.00 0.00 H new ATOM 690 N LYS B 13 -4.129 3.790 -0.763 1.00 0.00 N ATOM 691 CA LYS B 13 -3.422 4.051 -2.020 1.00 0.00 C ATOM 692 C LYS B 13 -2.447 5.213 -1.865 1.00 0.00 C ATOM 693 O LYS B 13 -1.369 5.201 -2.451 1.00 0.00 O ATOM 694 CB LYS B 13 -4.416 4.340 -3.149 1.00 0.00 C ATOM 695 CG LYS B 13 -4.931 3.097 -3.880 1.00 0.00 C ATOM 696 CD LYS B 13 -5.391 2.003 -2.924 1.00 0.00 C ATOM 697 CE LYS B 13 -6.267 0.963 -3.616 1.00 0.00 C ATOM 698 NZ LYS B 13 -5.576 0.282 -4.742 1.00 0.00 N ATOM 0 H LYS B 13 -5.145 3.849 -0.830 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.853 3.157 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.267 4.881 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.940 5.000 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.760 3.379 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -4.142 2.705 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.520 1.511 -2.491 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -5.946 2.452 -2.100 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.583 0.218 -2.886 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -7.170 1.446 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -6.224 -0.401 -5.185 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.282 0.988 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.738 -0.219 -4.383 1.00 0.00 H new ATOM 712 N ALA B 14 -2.814 6.200 -1.059 1.00 0.00 N ATOM 713 CA ALA B 14 -1.943 7.345 -0.816 1.00 0.00 C ATOM 714 C ALA B 14 -0.719 6.906 -0.021 1.00 0.00 C ATOM 715 O ALA B 14 0.407 7.324 -0.297 1.00 0.00 O ATOM 716 CB ALA B 14 -2.693 8.440 -0.076 1.00 0.00 C ATOM 0 H ALA B 14 -3.705 6.232 -0.563 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.616 7.746 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.027 9.285 0.096 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.545 8.765 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.046 8.056 0.881 1.00 0.00 H new ATOM 722 N ARG B 15 -0.953 6.040 0.956 1.00 0.00 N ATOM 723 CA ARG B 15 0.107 5.506 1.794 1.00 0.00 C ATOM 724 C ARG B 15 0.978 4.574 0.966 1.00 0.00 C ATOM 725 O ARG B 15 2.205 4.644 0.994 1.00 0.00 O ATOM 726 CB ARG B 15 -0.520 4.735 2.954 1.00 0.00 C ATOM 727 CG ARG B 15 0.151 4.964 4.292 1.00 0.00 C ATOM 728 CD ARG B 15 1.612 4.557 4.265 1.00 0.00 C ATOM 729 NE ARG B 15 2.263 4.791 5.553 1.00 0.00 N ATOM 730 CZ ARG B 15 2.126 4.007 6.625 1.00 0.00 C ATOM 731 NH1 ARG B 15 1.542 2.815 6.525 1.00 0.00 N ATOM 732 NH2 ARG B 15 2.620 4.408 7.788 1.00 0.00 N ATOM 0 H ARG B 15 -1.882 5.690 1.188 1.00 0.00 H new ATOM 0 HA ARG B 15 0.721 6.317 2.185 1.00 0.00 H new ATOM 0 HB2 ARG B 15 -1.570 5.015 3.035 1.00 0.00 H new ATOM 0 HB3 ARG B 15 -0.491 3.670 2.724 1.00 0.00 H new ATOM 0 HG2 ARG B 15 0.072 6.017 4.563 1.00 0.00 H new ATOM 0 HG3 ARG B 15 -0.371 4.396 5.062 1.00 0.00 H new ATOM 0 HD2 ARG B 15 1.691 3.502 4.004 1.00 0.00 H new ATOM 0 HD3 ARG B 15 2.131 5.117 3.488 1.00 0.00 H new ATOM 0 HE ARG B 15 2.864 5.611 5.639 1.00 0.00 H new ATOM 0 HH11 ARG B 15 1.194 2.492 5.622 1.00 0.00 H new ATOM 0 HH12 ARG B 15 1.443 2.225 7.351 1.00 0.00 H new ATOM 0 HH21 ARG B 15 3.098 5.306 7.856 1.00 0.00 H new ATOM 0 HH22 ARG B 15 2.522 3.818 8.614 1.00 0.00 H new ATOM 746 N ASN B 16 0.302 3.714 0.223 1.00 0.00 N ATOM 747 CA ASN B 16 0.928 2.747 -0.655 1.00 0.00 C ATOM 748 C ASN B 16 1.809 3.456 -1.662 1.00 0.00 C ATOM 749 O ASN B 16 2.926 3.028 -1.935 1.00 0.00 O ATOM 750 CB ASN B 16 -0.157 1.933 -1.377 1.00 0.00 C ATOM 751 CG ASN B 16 -0.688 0.783 -0.539 1.00 0.00 C ATOM 752 OD1 ASN B 16 -1.089 0.964 0.608 1.00 0.00 O ATOM 753 ND2 ASN B 16 -0.720 -0.406 -1.114 1.00 0.00 N ATOM 0 H ASN B 16 -0.717 3.670 0.215 1.00 0.00 H new ATOM 0 HA ASN B 16 1.548 2.072 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -0.982 2.593 -1.644 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.250 1.540 -2.308 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -1.086 -1.210 -0.604 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.379 -0.520 -2.068 1.00 0.00 H new ATOM 760 N TYR B 17 1.297 4.554 -2.197 1.00 0.00 N ATOM 761 CA TYR B 17 2.021 5.354 -3.170 1.00 0.00 C ATOM 762 C TYR B 17 3.348 5.826 -2.581 1.00 0.00 C ATOM 763 O TYR B 17 4.399 5.647 -3.192 1.00 0.00 O ATOM 764 CB TYR B 17 1.168 6.554 -3.595 1.00 0.00 C ATOM 765 CG TYR B 17 1.518 7.118 -4.956 1.00 0.00 C ATOM 766 CD1 TYR B 17 2.763 7.680 -5.214 1.00 0.00 C ATOM 767 CD2 TYR B 17 0.591 7.079 -5.993 1.00 0.00 C ATOM 768 CE1 TYR B 17 3.074 8.183 -6.465 1.00 0.00 C ATOM 769 CE2 TYR B 17 0.894 7.582 -7.244 1.00 0.00 C ATOM 770 CZ TYR B 17 2.138 8.132 -7.474 1.00 0.00 C ATOM 771 OH TYR B 17 2.448 8.631 -8.722 1.00 0.00 O ATOM 0 H TYR B 17 0.370 4.914 -1.969 1.00 0.00 H new ATOM 0 HA TYR B 17 2.231 4.743 -4.048 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.119 6.257 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR B 17 1.274 7.342 -2.850 1.00 0.00 H new ATOM 0 HD1 TYR B 17 3.499 7.725 -4.425 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -0.383 6.648 -5.817 1.00 0.00 H new ATOM 0 HE1 TYR B 17 4.047 8.614 -6.649 1.00 0.00 H new ATOM 0 HE2 TYR B 17 0.161 7.545 -8.037 1.00 0.00 H new ATOM 0 HH TYR B 17 1.680 8.518 -9.320 1.00 0.00 H new ATOM 781 N ALA B 18 3.292 6.415 -1.388 1.00 0.00 N ATOM 782 CA ALA B 18 4.495 6.902 -0.722 1.00 0.00 C ATOM 783 C ALA B 18 5.430 5.758 -0.369 1.00 0.00 C ATOM 784 O ALA B 18 6.636 5.843 -0.591 1.00 0.00 O ATOM 785 CB ALA B 18 4.142 7.678 0.536 1.00 0.00 C ATOM 0 H ALA B 18 2.429 6.566 -0.866 1.00 0.00 H new ATOM 0 HA ALA B 18 5.005 7.567 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA B 18 5.056 8.031 1.014 1.00 0.00 H new ATOM 0 HB2 ALA B 18 3.517 8.532 0.274 1.00 0.00 H new ATOM 0 HB3 ALA B 18 3.600 7.029 1.224 1.00 0.00 H new ATOM 791 N ALA B 19 4.866 4.690 0.182 1.00 0.00 N ATOM 792 CA ALA B 19 5.650 3.528 0.571 1.00 0.00 C ATOM 793 C ALA B 19 6.363 2.929 -0.635 1.00 0.00 C ATOM 794 O ALA B 19 7.519 2.532 -0.539 1.00 0.00 O ATOM 795 CB ALA B 19 4.769 2.494 1.248 1.00 0.00 C ATOM 0 H ALA B 19 3.867 4.606 0.369 1.00 0.00 H new ATOM 0 HA ALA B 19 6.409 3.849 1.285 1.00 0.00 H new ATOM 0 HB1 ALA B 19 5.372 1.632 1.532 1.00 0.00 H new ATOM 0 HB2 ALA B 19 4.316 2.929 2.139 1.00 0.00 H new ATOM 0 HB3 ALA B 19 3.985 2.177 0.560 1.00 0.00 H new ATOM 801 N LYS B 20 5.677 2.890 -1.775 1.00 0.00 N ATOM 802 CA LYS B 20 6.269 2.364 -3.001 1.00 0.00 C ATOM 803 C LYS B 20 7.423 3.255 -3.447 1.00 0.00 C ATOM 804 O LYS B 20 8.458 2.758 -3.888 1.00 0.00 O ATOM 805 CB LYS B 20 5.222 2.235 -4.111 1.00 0.00 C ATOM 806 CG LYS B 20 4.252 1.093 -3.876 1.00 0.00 C ATOM 807 CD LYS B 20 3.133 1.072 -4.901 1.00 0.00 C ATOM 808 CE LYS B 20 2.175 -0.075 -4.636 1.00 0.00 C ATOM 809 NZ LYS B 20 1.019 -0.069 -5.566 1.00 0.00 N ATOM 0 H LYS B 20 4.715 3.215 -1.875 1.00 0.00 H new ATOM 0 HA LYS B 20 6.655 1.366 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.665 3.169 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.727 2.085 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.792 0.147 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.826 1.180 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.591 2.017 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.553 0.976 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.709 -1.021 -4.730 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.813 -0.014 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.255 -0.656 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.678 0.906 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 1.313 -0.452 -6.487 1.00 0.00 H new ATOM 823 N GLN B 21 7.259 4.572 -3.291 1.00 0.00 N ATOM 824 CA GLN B 21 8.321 5.510 -3.645 1.00 0.00 C ATOM 825 C GLN B 21 9.489 5.287 -2.707 1.00 0.00 C ATOM 826 O GLN B 21 10.646 5.331 -3.112 1.00 0.00 O ATOM 827 CB GLN B 21 7.856 6.969 -3.556 1.00 0.00 C ATOM 828 CG GLN B 21 6.601 7.265 -4.358 1.00 0.00 C ATOM 829 CD GLN B 21 6.600 6.606 -5.718 1.00 0.00 C ATOM 830 OE1 GLN B 21 7.446 6.894 -6.568 1.00 0.00 O ATOM 831 NE2 GLN B 21 5.656 5.705 -5.922 1.00 0.00 N ATOM 0 H GLN B 21 6.411 5.006 -2.926 1.00 0.00 H new ATOM 0 HA GLN B 21 8.612 5.328 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.675 7.219 -2.511 1.00 0.00 H new ATOM 0 HB3 GLN B 21 8.659 7.618 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN B 21 5.730 6.928 -3.796 1.00 0.00 H new ATOM 0 HG3 GLN B 21 6.502 8.343 -4.483 1.00 0.00 H new ATOM 0 HE21 GLN B 21 4.978 5.501 -5.187 1.00 0.00 H new ATOM 0 HE22 GLN B 21 5.605 5.213 -6.814 1.00 0.00 H new ATOM 840 N LYS B 22 9.157 5.012 -1.450 1.00 0.00 N ATOM 841 CA LYS B 22 10.149 4.736 -0.426 1.00 0.00 C ATOM 842 C LYS B 22 10.950 3.497 -0.807 1.00 0.00 C ATOM 843 O LYS B 22 12.173 3.501 -0.736 1.00 0.00 O ATOM 844 CB LYS B 22 9.465 4.534 0.930 1.00 0.00 C ATOM 845 CG LYS B 22 9.740 5.641 1.936 1.00 0.00 C ATOM 846 CD LYS B 22 11.187 5.605 2.402 1.00 0.00 C ATOM 847 CE LYS B 22 11.429 6.533 3.583 1.00 0.00 C ATOM 848 NZ LYS B 22 11.275 7.965 3.219 1.00 0.00 N ATOM 0 H LYS B 22 8.194 4.975 -1.116 1.00 0.00 H new ATOM 0 HA LYS B 22 10.828 5.585 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS B 22 8.389 4.459 0.774 1.00 0.00 H new ATOM 0 HB3 LYS B 22 9.793 3.584 1.352 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.523 6.609 1.485 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.075 5.532 2.793 1.00 0.00 H new ATOM 0 HD2 LYS B 22 11.452 4.586 2.682 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.841 5.890 1.577 1.00 0.00 H new ATOM 0 HE2 LYS B 22 10.731 6.287 4.383 1.00 0.00 H new ATOM 0 HE3 LYS B 22 12.433 6.366 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 11.450 8.557 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 11.958 8.209 2.474 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 10.309 8.133 2.872 1.00 0.00 H new ATOM 862 N VAL B 23 10.249 2.449 -1.239 1.00 0.00 N ATOM 863 CA VAL B 23 10.895 1.208 -1.658 1.00 0.00 C ATOM 864 C VAL B 23 11.881 1.474 -2.790 1.00 0.00 C ATOM 865 O VAL B 23 13.026 1.023 -2.756 1.00 0.00 O ATOM 866 CB VAL B 23 9.865 0.153 -2.132 1.00 0.00 C ATOM 867 CG1 VAL B 23 10.571 -1.103 -2.627 1.00 0.00 C ATOM 868 CG2 VAL B 23 8.875 -0.189 -1.024 1.00 0.00 C ATOM 0 H VAL B 23 9.231 2.436 -1.308 1.00 0.00 H new ATOM 0 HA VAL B 23 11.421 0.816 -0.788 1.00 0.00 H new ATOM 0 HB VAL B 23 9.304 0.584 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.830 -1.832 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.224 -0.848 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.165 -1.529 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.165 -0.932 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.414 -0.591 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.338 0.711 -0.726 1.00 0.00 H new ATOM 878 N GLN B 24 11.427 2.211 -3.792 1.00 0.00 N ATOM 879 CA GLN B 24 12.260 2.542 -4.941 1.00 0.00 C ATOM 880 C GLN B 24 13.420 3.446 -4.532 1.00 0.00 C ATOM 881 O GLN B 24 14.542 3.289 -5.021 1.00 0.00 O ATOM 882 CB GLN B 24 11.422 3.225 -6.022 1.00 0.00 C ATOM 883 CG GLN B 24 10.274 2.369 -6.531 1.00 0.00 C ATOM 884 CD GLN B 24 9.383 3.090 -7.529 1.00 0.00 C ATOM 885 OE1 GLN B 24 8.462 2.498 -8.098 1.00 0.00 O ATOM 886 NE2 GLN B 24 9.639 4.372 -7.746 1.00 0.00 N ATOM 0 H GLN B 24 10.482 2.593 -3.834 1.00 0.00 H new ATOM 0 HA GLN B 24 12.671 1.615 -5.340 1.00 0.00 H new ATOM 0 HB2 GLN B 24 11.021 4.157 -5.625 1.00 0.00 H new ATOM 0 HB3 GLN B 24 12.068 3.487 -6.860 1.00 0.00 H new ATOM 0 HG2 GLN B 24 10.679 1.471 -6.998 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.670 2.043 -5.684 1.00 0.00 H new ATOM 0 HE21 GLN B 24 10.409 4.828 -7.257 1.00 0.00 H new ATOM 0 HE22 GLN B 24 9.066 4.903 -8.402 1.00 0.00 H new ATOM 895 N ALA B 25 13.148 4.386 -3.633 1.00 0.00 N ATOM 896 CA ALA B 25 14.172 5.310 -3.154 1.00 0.00 C ATOM 897 C ALA B 25 15.229 4.547 -2.375 1.00 0.00 C ATOM 898 O ALA B 25 16.432 4.726 -2.580 1.00 0.00 O ATOM 899 CB ALA B 25 13.558 6.400 -2.287 1.00 0.00 C ATOM 0 H ALA B 25 12.226 4.529 -3.220 1.00 0.00 H new ATOM 0 HA ALA B 25 14.638 5.788 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA B 25 14.341 7.075 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.827 6.960 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.066 5.947 -1.427 1.00 0.00 H new ATOM 905 N LEU B 26 14.764 3.671 -1.493 1.00 0.00 N ATOM 906 CA LEU B 26 15.650 2.851 -0.687 1.00 0.00 C ATOM 907 C LEU B 26 16.452 1.927 -1.586 1.00 0.00 C ATOM 908 O LEU B 26 17.621 1.678 -1.334 1.00 0.00 O ATOM 909 CB LEU B 26 14.853 2.031 0.326 1.00 0.00 C ATOM 910 CG LEU B 26 14.116 2.833 1.398 1.00 0.00 C ATOM 911 CD1 LEU B 26 13.268 1.912 2.252 1.00 0.00 C ATOM 912 CD2 LEU B 26 15.103 3.599 2.264 1.00 0.00 C ATOM 0 H LEU B 26 13.771 3.512 -1.320 1.00 0.00 H new ATOM 0 HA LEU B 26 16.330 3.505 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.124 1.429 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.534 1.339 0.821 1.00 0.00 H new ATOM 0 HG LEU B 26 13.462 3.552 0.904 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.748 2.496 3.012 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.538 1.403 1.623 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.907 1.174 2.736 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.560 4.164 3.022 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.781 2.898 2.751 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.677 4.285 1.641 1.00 0.00 H new ATOM 924 N ARG B 27 15.816 1.432 -2.645 1.00 0.00 N ATOM 925 CA ARG B 27 16.484 0.543 -3.591 1.00 0.00 C ATOM 926 C ARG B 27 17.618 1.279 -4.294 1.00 0.00 C ATOM 927 O ARG B 27 18.680 0.714 -4.552 1.00 0.00 O ATOM 928 CB ARG B 27 15.499 0.030 -4.646 1.00 0.00 C ATOM 929 CG ARG B 27 15.591 -1.463 -4.885 1.00 0.00 C ATOM 930 CD ARG B 27 14.772 -2.215 -3.859 1.00 0.00 C ATOM 931 NE ARG B 27 15.168 -3.619 -3.762 1.00 0.00 N ATOM 932 CZ ARG B 27 14.596 -4.499 -2.939 1.00 0.00 C ATOM 933 NH1 ARG B 27 13.512 -4.162 -2.253 1.00 0.00 N ATOM 934 NH2 ARG B 27 15.100 -5.722 -2.817 1.00 0.00 N ATOM 0 H ARG B 27 14.841 1.631 -2.869 1.00 0.00 H new ATOM 0 HA ARG B 27 16.882 -0.303 -3.030 1.00 0.00 H new ATOM 0 HB2 ARG B 27 14.484 0.278 -4.335 1.00 0.00 H new ATOM 0 HB3 ARG B 27 15.681 0.552 -5.585 1.00 0.00 H new ATOM 0 HG2 ARG B 27 15.235 -1.699 -5.888 1.00 0.00 H new ATOM 0 HG3 ARG B 27 16.632 -1.782 -4.833 1.00 0.00 H new ATOM 0 HD2 ARG B 27 14.885 -1.739 -2.885 1.00 0.00 H new ATOM 0 HD3 ARG B 27 13.716 -2.154 -4.123 1.00 0.00 H new ATOM 0 HE ARG B 27 15.927 -3.945 -4.360 1.00 0.00 H new ATOM 0 HH11 ARG B 27 13.114 -3.228 -2.354 1.00 0.00 H new ATOM 0 HH12 ARG B 27 13.076 -4.837 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG B 27 15.926 -5.989 -3.353 1.00 0.00 H new ATOM 0 HH22 ARG B 27 14.661 -6.394 -2.187 1.00 0.00 H new ATOM 948 N HIS B 28 17.371 2.543 -4.609 1.00 0.00 N ATOM 949 CA HIS B 28 18.347 3.381 -5.289 1.00 0.00 C ATOM 950 C HIS B 28 19.536 3.661 -4.376 1.00 0.00 C ATOM 951 O HIS B 28 20.693 3.584 -4.793 1.00 0.00 O ATOM 952 CB HIS B 28 17.680 4.696 -5.709 1.00 0.00 C ATOM 953 CG HIS B 28 18.522 5.589 -6.579 1.00 0.00 C ATOM 954 ND1 HIS B 28 18.121 6.837 -7.007 1.00 0.00 N ATOM 955 CD2 HIS B 28 19.760 5.397 -7.104 1.00 0.00 C ATOM 956 CE1 HIS B 28 19.099 7.349 -7.762 1.00 0.00 C ATOM 957 NE2 HIS B 28 20.117 6.515 -7.853 1.00 0.00 N ATOM 0 H HIS B 28 16.491 3.015 -4.401 1.00 0.00 H new ATOM 0 HA HIS B 28 18.712 2.861 -6.175 1.00 0.00 H new ATOM 0 HB2 HIS B 28 16.757 4.464 -6.239 1.00 0.00 H new ATOM 0 HB3 HIS B 28 17.402 5.247 -4.811 1.00 0.00 H new ATOM 0 HD2 HIS B 28 20.370 4.517 -6.963 1.00 0.00 H new ATOM 0 HE1 HIS B 28 19.060 8.319 -8.235 1.00 0.00 H new ATOM 0 HE2 HIS B 28 20.987 6.659 -8.366 1.00 0.00 H new ATOM 965 N LYS B 29 19.233 3.997 -3.135 1.00 0.00 N ATOM 966 CA LYS B 29 20.256 4.307 -2.150 1.00 0.00 C ATOM 967 C LYS B 29 20.972 3.046 -1.672 1.00 0.00 C ATOM 968 O LYS B 29 22.200 3.001 -1.607 1.00 0.00 O ATOM 969 CB LYS B 29 19.618 5.024 -0.955 1.00 0.00 C ATOM 970 CG LYS B 29 20.612 5.462 0.111 1.00 0.00 C ATOM 971 CD LYS B 29 19.903 6.097 1.293 1.00 0.00 C ATOM 972 CE LYS B 29 20.880 6.476 2.390 1.00 0.00 C ATOM 973 NZ LYS B 29 20.187 7.077 3.558 1.00 0.00 N ATOM 0 H LYS B 29 18.278 4.063 -2.782 1.00 0.00 H new ATOM 0 HA LYS B 29 20.995 4.955 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS B 29 19.080 5.900 -1.316 1.00 0.00 H new ATOM 0 HB3 LYS B 29 18.881 4.362 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS B 29 21.190 4.602 0.449 1.00 0.00 H new ATOM 0 HG3 LYS B 29 21.319 6.172 -0.317 1.00 0.00 H new ATOM 0 HD2 LYS B 29 19.365 6.985 0.961 1.00 0.00 H new ATOM 0 HD3 LYS B 29 19.161 5.404 1.689 1.00 0.00 H new ATOM 0 HE2 LYS B 29 21.430 5.591 2.709 1.00 0.00 H new ATOM 0 HE3 LYS B 29 21.612 7.182 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 20.886 7.323 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 19.682 7.935 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 19.507 6.394 3.947 1.00 0.00 H new