USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -174:sc= -0.0461 (180deg=-0.107) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 172:sc= 0.0133 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.244 K(o=-0.24,f=-1) USER MOD Single : A 20 HIS : no HD1:sc= -0.453 K(o=-0.45,f=-1.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 33 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -115:sc= 0.711 (180deg=-0.252) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= 1.1 (180deg=0.45) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= -1.52 (180deg=-2.42!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.716 -21.429 29.737 1.00 0.00 N ATOM 2 CA GLY A 1 -17.725 -21.980 28.792 1.00 0.00 C ATOM 3 C GLY A 1 -17.365 -21.014 27.676 1.00 0.00 C ATOM 4 O GLY A 1 -16.276 -21.100 27.104 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.845 -22.090 30.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.378 -20.515 30.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.624 -21.293 29.248 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.821 -22.248 29.338 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.118 -22.899 28.357 1.00 0.00 H new ATOM 10 N SER A 2 -18.267 -20.086 27.369 1.00 0.00 N ATOM 11 CA SER A 2 -18.061 -19.130 26.284 1.00 0.00 C ATOM 12 C SER A 2 -16.794 -18.288 26.480 1.00 0.00 C ATOM 13 O SER A 2 -15.875 -18.336 25.658 1.00 0.00 O ATOM 14 CB SER A 2 -19.279 -18.220 26.163 1.00 0.00 C ATOM 15 OG SER A 2 -20.475 -18.979 26.059 1.00 0.00 O ATOM 0 H SER A 2 -19.154 -19.975 27.860 1.00 0.00 H new ATOM 0 HA SER A 2 -17.929 -19.701 25.365 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.335 -17.564 27.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.173 -17.580 25.287 1.00 0.00 H new ATOM 0 HG SER A 2 -21.242 -18.373 25.984 1.00 0.00 H new ATOM 21 N VAL A 3 -16.749 -17.541 27.581 1.00 0.00 N ATOM 22 CA VAL A 3 -15.643 -16.619 27.886 1.00 0.00 C ATOM 23 C VAL A 3 -14.251 -17.305 27.937 1.00 0.00 C ATOM 24 O VAL A 3 -13.226 -16.628 27.893 1.00 0.00 O ATOM 25 CB VAL A 3 -15.912 -15.869 29.225 1.00 0.00 C ATOM 26 CG1 VAL A 3 -15.879 -16.827 30.407 1.00 0.00 C ATOM 27 CG2 VAL A 3 -14.934 -14.717 29.427 1.00 0.00 C ATOM 0 H VAL A 3 -17.479 -17.554 28.293 1.00 0.00 H new ATOM 0 HA VAL A 3 -15.610 -15.910 27.059 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.914 -15.443 29.165 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -16.070 -16.276 31.328 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -16.644 -17.592 30.277 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -14.899 -17.301 30.464 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -15.151 -14.217 30.371 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.915 -15.104 29.448 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -15.035 -14.006 28.607 1.00 0.00 H new ATOM 37 N GLU A 4 -14.213 -18.626 27.975 1.00 0.00 N ATOM 38 CA GLU A 4 -12.938 -19.320 28.097 1.00 0.00 C ATOM 39 C GLU A 4 -12.655 -20.268 26.920 1.00 0.00 C ATOM 40 O GLU A 4 -11.634 -20.138 26.251 1.00 0.00 O ATOM 41 CB GLU A 4 -12.844 -20.065 29.432 1.00 0.00 C ATOM 42 CG GLU A 4 -13.993 -21.019 29.694 1.00 0.00 C ATOM 43 CD GLU A 4 -13.815 -21.794 30.969 1.00 0.00 C ATOM 44 OE1 GLU A 4 -13.065 -22.784 30.958 1.00 0.00 O ATOM 45 OE2 GLU A 4 -14.421 -21.419 31.990 1.00 0.00 O ATOM 0 H GLU A 4 -15.032 -19.232 27.924 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.166 -18.551 28.070 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.909 -20.625 29.458 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.801 -19.335 30.240 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.925 -20.456 29.741 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.082 -21.714 28.859 1.00 0.00 H new ATOM 52 N LYS A 5 -13.564 -21.198 26.663 1.00 0.00 N ATOM 53 CA LYS A 5 -13.353 -22.199 25.620 1.00 0.00 C ATOM 54 C LYS A 5 -13.572 -21.616 24.235 1.00 0.00 C ATOM 55 O LYS A 5 -12.808 -21.882 23.315 1.00 0.00 O ATOM 56 CB LYS A 5 -14.272 -23.406 25.830 1.00 0.00 C ATOM 57 CG LYS A 5 -14.073 -24.103 27.164 1.00 0.00 C ATOM 58 CD LYS A 5 -14.922 -25.356 27.269 1.00 0.00 C ATOM 59 CE LYS A 5 -14.769 -26.007 28.630 1.00 0.00 C ATOM 60 NZ LYS A 5 -15.486 -27.299 28.713 1.00 0.00 N ATOM 0 H LYS A 5 -14.452 -21.283 27.158 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.316 -22.527 25.691 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.309 -23.079 25.753 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.103 -24.123 25.027 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.022 -24.363 27.286 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.329 -23.420 27.974 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.969 -25.105 27.098 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.632 -26.062 26.490 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.711 -26.166 28.838 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.147 -25.333 29.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.355 -27.709 29.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.500 -27.145 28.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.108 -27.952 27.998 1.00 0.00 H new ATOM 74 N LEU A 6 -14.603 -20.811 24.093 1.00 0.00 N ATOM 75 CA LEU A 6 -14.912 -20.216 22.795 1.00 0.00 C ATOM 76 C LEU A 6 -13.944 -19.088 22.470 1.00 0.00 C ATOM 77 O LEU A 6 -13.618 -18.853 21.305 1.00 0.00 O ATOM 78 CB LEU A 6 -16.376 -19.724 22.716 1.00 0.00 C ATOM 79 CG LEU A 6 -17.454 -20.806 22.480 1.00 0.00 C ATOM 80 CD1 LEU A 6 -17.233 -21.501 21.147 1.00 0.00 C ATOM 81 CD2 LEU A 6 -17.481 -21.827 23.610 1.00 0.00 C ATOM 0 H LEU A 6 -15.240 -20.551 24.846 1.00 0.00 H new ATOM 0 HA LEU A 6 -14.793 -20.999 22.046 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -16.612 -19.204 23.644 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.447 -18.991 21.913 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.422 -20.305 22.460 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -18.002 -22.259 21.000 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -17.287 -20.769 20.342 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.251 -21.975 21.142 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.251 -22.572 23.409 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -16.511 -22.318 23.680 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.701 -21.323 24.551 1.00 0.00 H new ATOM 93 N THR A 7 -13.467 -18.408 23.503 1.00 0.00 N ATOM 94 CA THR A 7 -12.524 -17.318 23.325 1.00 0.00 C ATOM 95 C THR A 7 -11.108 -17.855 23.068 1.00 0.00 C ATOM 96 O THR A 7 -10.228 -17.122 22.615 1.00 0.00 O ATOM 97 CB THR A 7 -12.504 -16.399 24.564 1.00 0.00 C ATOM 98 OG1 THR A 7 -13.847 -16.148 24.994 1.00 0.00 O ATOM 99 CG2 THR A 7 -11.829 -15.069 24.244 1.00 0.00 C ATOM 0 H THR A 7 -13.719 -18.594 24.474 1.00 0.00 H new ATOM 0 HA THR A 7 -12.850 -16.742 22.459 1.00 0.00 H new ATOM 0 HB THR A 7 -11.942 -16.899 25.353 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.833 -15.674 25.852 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.827 -14.439 25.133 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.802 -15.249 23.925 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.374 -14.567 23.445 1.00 0.00 H new ATOM 107 N ALA A 8 -10.905 -19.144 23.339 1.00 0.00 N ATOM 108 CA ALA A 8 -9.590 -19.770 23.154 1.00 0.00 C ATOM 109 C ALA A 8 -9.107 -19.627 21.712 1.00 0.00 C ATOM 110 O ALA A 8 -8.012 -19.137 21.469 1.00 0.00 O ATOM 111 CB ALA A 8 -9.598 -21.241 23.586 1.00 0.00 C ATOM 0 H ALA A 8 -11.628 -19.775 23.686 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.887 -19.242 23.798 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.608 -21.670 23.434 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.865 -21.309 24.641 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.327 -21.791 22.991 1.00 0.00 H new ATOM 117 N ASP A 9 -9.944 -20.029 20.762 1.00 0.00 N ATOM 118 CA ASP A 9 -9.596 -19.922 19.337 1.00 0.00 C ATOM 119 C ASP A 9 -9.740 -18.489 18.854 1.00 0.00 C ATOM 120 O ASP A 9 -9.115 -18.080 17.887 1.00 0.00 O ATOM 121 CB ASP A 9 -10.473 -20.839 18.477 1.00 0.00 C ATOM 122 CG ASP A 9 -10.203 -22.308 18.715 1.00 0.00 C ATOM 123 OD1 ASP A 9 -9.264 -22.852 18.094 1.00 0.00 O ATOM 124 OD2 ASP A 9 -10.939 -22.930 19.504 1.00 0.00 O ATOM 0 H ASP A 9 -10.864 -20.430 20.944 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.557 -20.235 19.234 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.522 -20.630 18.686 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.306 -20.610 17.425 1.00 0.00 H new ATOM 129 N ALA A 10 -10.560 -17.738 19.552 1.00 0.00 N ATOM 130 CA ALA A 10 -10.834 -16.336 19.199 1.00 0.00 C ATOM 131 C ALA A 10 -9.603 -15.467 19.415 1.00 0.00 C ATOM 132 O ALA A 10 -9.139 -14.798 18.492 1.00 0.00 O ATOM 133 CB ALA A 10 -12.023 -15.787 19.986 1.00 0.00 C ATOM 0 H ALA A 10 -11.061 -18.065 20.378 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.090 -16.309 18.140 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.199 -14.749 19.702 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.911 -16.380 19.765 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.808 -15.840 21.053 1.00 0.00 H new ATOM 139 N GLU A 11 -9.075 -15.488 20.638 1.00 0.00 N ATOM 140 CA GLU A 11 -7.858 -14.730 20.959 1.00 0.00 C ATOM 141 C GLU A 11 -6.719 -15.251 20.100 1.00 0.00 C ATOM 142 O GLU A 11 -5.899 -14.491 19.591 1.00 0.00 O ATOM 143 CB GLU A 11 -7.496 -14.868 22.450 1.00 0.00 C ATOM 144 CG GLU A 11 -6.252 -14.090 22.857 1.00 0.00 C ATOM 145 CD GLU A 11 -6.435 -12.593 22.751 1.00 0.00 C ATOM 146 OE1 GLU A 11 -6.295 -12.042 21.640 1.00 0.00 O ATOM 147 OE2 GLU A 11 -6.711 -11.951 23.783 1.00 0.00 O ATOM 0 H GLU A 11 -9.464 -16.016 21.420 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.032 -13.674 20.754 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.339 -14.527 23.052 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.345 -15.922 22.681 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.988 -14.347 23.883 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.416 -14.395 22.227 1.00 0.00 H new ATOM 154 N LEU A 12 -6.705 -16.558 19.943 1.00 0.00 N ATOM 155 CA LEU A 12 -5.741 -17.264 19.103 1.00 0.00 C ATOM 156 C LEU A 12 -5.703 -16.660 17.690 1.00 0.00 C ATOM 157 O LEU A 12 -4.645 -16.253 17.202 1.00 0.00 O ATOM 158 CB LEU A 12 -6.134 -18.763 19.067 1.00 0.00 C ATOM 159 CG LEU A 12 -5.355 -19.706 18.160 1.00 0.00 C ATOM 160 CD1 LEU A 12 -5.467 -21.108 18.715 1.00 0.00 C ATOM 161 CD2 LEU A 12 -5.925 -19.683 16.752 1.00 0.00 C ATOM 0 H LEU A 12 -7.373 -17.178 20.401 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.738 -17.162 19.517 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.060 -19.148 20.084 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.184 -18.822 18.780 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.313 -19.388 18.121 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.914 -21.797 18.077 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.052 -21.135 19.723 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.515 -21.404 18.746 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.356 -20.363 16.118 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.968 -19.998 16.777 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.860 -18.672 16.350 1.00 0.00 H new ATOM 173 N GLN A 13 -6.866 -16.601 17.049 1.00 0.00 N ATOM 174 CA GLN A 13 -6.973 -16.053 15.700 1.00 0.00 C ATOM 175 C GLN A 13 -6.698 -14.552 15.677 1.00 0.00 C ATOM 176 O GLN A 13 -6.205 -14.028 14.683 1.00 0.00 O ATOM 177 CB GLN A 13 -8.343 -16.361 15.082 1.00 0.00 C ATOM 178 CG GLN A 13 -8.577 -17.845 14.829 1.00 0.00 C ATOM 179 CD GLN A 13 -9.959 -18.139 14.275 1.00 0.00 C ATOM 180 OE1 GLN A 13 -10.553 -17.316 13.581 1.00 0.00 O ATOM 181 NE2 GLN A 13 -10.474 -19.317 14.569 1.00 0.00 N ATOM 0 H GLN A 13 -7.749 -16.926 17.442 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.208 -16.540 15.095 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.124 -15.986 15.744 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.437 -15.821 14.140 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.825 -18.212 14.130 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.441 -18.393 15.761 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.950 -19.973 15.148 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.397 -19.572 14.217 1.00 0.00 H new ATOM 190 N ARG A 14 -7.002 -13.869 16.775 1.00 0.00 N ATOM 191 CA ARG A 14 -6.768 -12.424 16.861 1.00 0.00 C ATOM 192 C ARG A 14 -5.278 -12.122 16.981 1.00 0.00 C ATOM 193 O ARG A 14 -4.770 -11.222 16.322 1.00 0.00 O ATOM 194 CB ARG A 14 -7.529 -11.786 18.041 1.00 0.00 C ATOM 195 CG ARG A 14 -7.330 -10.279 18.134 1.00 0.00 C ATOM 196 CD ARG A 14 -8.202 -9.646 19.207 1.00 0.00 C ATOM 197 NE ARG A 14 -7.785 -9.993 20.574 1.00 0.00 N ATOM 198 CZ ARG A 14 -7.978 -9.194 21.633 1.00 0.00 C ATOM 199 NH1 ARG A 14 -8.487 -7.977 21.466 1.00 0.00 N ATOM 200 NH2 ARG A 14 -7.645 -9.601 22.850 1.00 0.00 N ATOM 0 H ARG A 14 -7.408 -14.284 17.614 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.149 -11.985 15.939 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.593 -12.001 17.938 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.199 -12.248 18.971 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.283 -10.066 18.348 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.557 -9.825 17.170 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.179 -8.562 19.092 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.235 -9.961 19.059 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.324 -10.890 20.724 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.731 -7.650 20.531 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.633 -7.370 22.273 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.239 -10.527 22.985 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.794 -8.988 23.651 1.00 0.00 H new ATOM 214 N LEU A 15 -4.592 -12.890 17.816 1.00 0.00 N ATOM 215 CA LEU A 15 -3.160 -12.711 18.049 1.00 0.00 C ATOM 216 C LEU A 15 -2.363 -12.870 16.755 1.00 0.00 C ATOM 217 O LEU A 15 -1.397 -12.158 16.515 1.00 0.00 O ATOM 218 CB LEU A 15 -2.667 -13.716 19.094 1.00 0.00 C ATOM 219 CG LEU A 15 -1.181 -13.634 19.449 1.00 0.00 C ATOM 220 CD1 LEU A 15 -0.861 -12.317 20.139 1.00 0.00 C ATOM 221 CD2 LEU A 15 -0.781 -14.807 20.322 1.00 0.00 C ATOM 0 H LEU A 15 -5.008 -13.653 18.351 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.004 -11.698 18.421 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.247 -13.577 20.006 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.879 -14.722 18.732 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.605 -13.679 18.525 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.201 -12.282 20.382 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.109 -11.489 19.475 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.445 -12.235 21.055 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.279 -14.734 20.566 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.367 -14.793 21.241 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.967 -15.739 19.787 1.00 0.00 H new ATOM 233 N LYS A 16 -2.759 -13.823 15.939 1.00 0.00 N ATOM 234 CA LYS A 16 -2.089 -14.049 14.668 1.00 0.00 C ATOM 235 C LYS A 16 -2.674 -13.164 13.570 1.00 0.00 C ATOM 236 O LYS A 16 -2.082 -13.022 12.502 1.00 0.00 O ATOM 237 CB LYS A 16 -2.160 -15.529 14.266 1.00 0.00 C ATOM 238 CG LYS A 16 -3.573 -16.065 14.076 1.00 0.00 C ATOM 239 CD LYS A 16 -3.565 -17.524 13.639 1.00 0.00 C ATOM 240 CE LYS A 16 -2.918 -18.419 14.688 1.00 0.00 C ATOM 241 NZ LYS A 16 -2.833 -19.832 14.244 1.00 0.00 N ATOM 0 H LYS A 16 -3.538 -14.454 16.128 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.040 -13.779 14.794 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.605 -15.667 13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.659 -16.124 15.029 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.128 -15.967 15.009 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.094 -15.464 13.330 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.587 -17.856 13.457 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.026 -17.619 12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.917 -18.049 14.911 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.492 -18.365 15.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.386 -20.404 14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.789 -20.195 14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.264 -19.889 13.376 1.00 0.00 H new ATOM 255 N ASN A 17 -3.828 -12.553 13.861 1.00 0.00 N ATOM 256 CA ASN A 17 -4.562 -11.724 12.889 1.00 0.00 C ATOM 257 C ASN A 17 -4.988 -12.581 11.699 1.00 0.00 C ATOM 258 O ASN A 17 -5.016 -12.116 10.550 1.00 0.00 O ATOM 259 CB ASN A 17 -3.702 -10.533 12.410 1.00 0.00 C ATOM 260 CG ASN A 17 -4.522 -9.461 11.704 1.00 0.00 C ATOM 261 OD1 ASN A 17 -5.668 -9.199 12.070 1.00 0.00 O ATOM 262 ND2 ASN A 17 -3.955 -8.855 10.673 1.00 0.00 N ATOM 0 H ASN A 17 -4.281 -12.617 14.773 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.448 -11.321 13.380 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.193 -10.090 13.266 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.929 -10.897 11.733 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.470 -8.145 10.153 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.003 -9.098 10.399 1.00 0.00 H new ATOM 269 N GLU A 18 -5.382 -13.830 11.998 1.00 0.00 N ATOM 270 CA GLU A 18 -5.745 -14.829 10.988 1.00 0.00 C ATOM 271 C GLU A 18 -4.578 -15.099 9.985 1.00 0.00 C ATOM 272 O GLU A 18 -3.559 -14.408 10.010 1.00 0.00 O ATOM 273 CB GLU A 18 -7.038 -14.417 10.271 1.00 0.00 C ATOM 274 CG GLU A 18 -8.207 -14.222 11.232 1.00 0.00 C ATOM 275 CD GLU A 18 -9.513 -13.935 10.531 1.00 0.00 C ATOM 276 OE1 GLU A 18 -9.927 -12.758 10.485 1.00 0.00 O ATOM 277 OE2 GLU A 18 -10.151 -14.894 10.039 1.00 0.00 O ATOM 0 H GLU A 18 -5.457 -14.174 12.955 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.930 -15.774 11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.865 -13.491 9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.300 -15.178 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.320 -15.117 11.843 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.978 -13.400 11.910 1.00 0.00 H new ATOM 284 N ARG A 19 -4.719 -16.117 9.116 1.00 0.00 N ATOM 285 CA ARG A 19 -3.662 -16.448 8.147 1.00 0.00 C ATOM 286 C ARG A 19 -3.620 -15.461 6.977 1.00 0.00 C ATOM 287 O ARG A 19 -3.038 -15.750 5.929 1.00 0.00 O ATOM 288 CB ARG A 19 -3.819 -17.884 7.633 1.00 0.00 C ATOM 289 CG ARG A 19 -3.695 -18.925 8.729 1.00 0.00 C ATOM 290 CD ARG A 19 -3.766 -20.337 8.184 1.00 0.00 C ATOM 291 NE ARG A 19 -3.704 -21.327 9.264 1.00 0.00 N ATOM 292 CZ ARG A 19 -2.595 -21.974 9.639 1.00 0.00 C ATOM 293 NH1 ARG A 19 -1.445 -21.763 9.000 1.00 0.00 N ATOM 294 NH2 ARG A 19 -2.638 -22.833 10.650 1.00 0.00 N ATOM 0 H ARG A 19 -5.543 -16.716 9.066 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.712 -16.368 8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.791 -17.987 7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.063 -18.075 6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.750 -18.787 9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.491 -18.778 9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.691 -20.466 7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.944 -20.503 7.488 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.568 -21.537 9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.408 -21.106 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.602 -22.259 9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.517 -23.000 11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.792 -23.327 10.936 1.00 0.00 H new ATOM 308 N HIS A 20 -4.213 -14.294 7.173 1.00 0.00 N ATOM 309 CA HIS A 20 -4.208 -13.255 6.157 1.00 0.00 C ATOM 310 C HIS A 20 -2.793 -12.737 5.952 1.00 0.00 C ATOM 311 O HIS A 20 -2.383 -12.437 4.825 1.00 0.00 O ATOM 312 CB HIS A 20 -5.132 -12.091 6.545 1.00 0.00 C ATOM 313 CG HIS A 20 -6.585 -12.445 6.597 1.00 0.00 C ATOM 314 ND1 HIS A 20 -7.394 -12.153 7.674 1.00 0.00 N ATOM 315 CD2 HIS A 20 -7.387 -13.044 5.684 1.00 0.00 C ATOM 316 CE1 HIS A 20 -8.625 -12.557 7.422 1.00 0.00 C ATOM 317 NE2 HIS A 20 -8.646 -13.098 6.223 1.00 0.00 N ATOM 0 H HIS A 20 -4.706 -14.043 8.030 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.578 -13.691 5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.828 -11.712 7.521 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.994 -11.280 5.830 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.090 -13.411 4.713 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -9.471 -12.460 8.087 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -9.468 -13.494 5.767 1.00 0.00 H new ATOM 325 N GLU A 21 -2.050 -12.632 7.054 1.00 0.00 N ATOM 326 CA GLU A 21 -0.672 -12.164 7.033 1.00 0.00 C ATOM 327 C GLU A 21 0.185 -12.982 6.066 1.00 0.00 C ATOM 328 O GLU A 21 0.892 -12.417 5.224 1.00 0.00 O ATOM 329 CB GLU A 21 -0.074 -12.226 8.447 1.00 0.00 C ATOM 330 CG GLU A 21 -0.883 -11.471 9.486 1.00 0.00 C ATOM 331 CD GLU A 21 -0.982 -10.000 9.178 1.00 0.00 C ATOM 332 OE1 GLU A 21 -0.054 -9.258 9.537 1.00 0.00 O ATOM 333 OE2 GLU A 21 -1.985 -9.581 8.569 1.00 0.00 O ATOM 0 H GLU A 21 -2.391 -12.870 7.985 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.675 -11.131 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.008 -13.269 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.937 -11.820 8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.885 -11.896 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.425 -11.604 10.466 1.00 0.00 H new ATOM 340 N GLU A 22 0.111 -14.310 6.185 1.00 0.00 N ATOM 341 CA GLU A 22 0.886 -15.197 5.328 1.00 0.00 C ATOM 342 C GLU A 22 0.629 -14.936 3.860 1.00 0.00 C ATOM 343 O GLU A 22 1.533 -15.040 3.061 1.00 0.00 O ATOM 344 CB GLU A 22 0.636 -16.669 5.648 1.00 0.00 C ATOM 345 CG GLU A 22 1.124 -17.094 7.016 1.00 0.00 C ATOM 346 CD GLU A 22 0.096 -16.883 8.092 1.00 0.00 C ATOM 347 OE1 GLU A 22 -0.562 -17.868 8.476 1.00 0.00 O ATOM 348 OE2 GLU A 22 -0.057 -15.743 8.568 1.00 0.00 O ATOM 0 H GLU A 22 -0.478 -14.789 6.866 1.00 0.00 H new ATOM 0 HA GLU A 22 1.933 -14.976 5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.433 -16.869 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.126 -17.283 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.402 -18.148 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.025 -16.534 7.266 1.00 0.00 H new ATOM 355 N ALA A 23 -0.611 -14.605 3.511 1.00 0.00 N ATOM 356 CA ALA A 23 -0.952 -14.303 2.114 1.00 0.00 C ATOM 357 C ALA A 23 -0.031 -13.220 1.539 1.00 0.00 C ATOM 358 O ALA A 23 0.508 -13.368 0.434 1.00 0.00 O ATOM 359 CB ALA A 23 -2.416 -13.892 1.975 1.00 0.00 C ATOM 0 H ALA A 23 -1.392 -14.538 4.164 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.802 -15.217 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.635 -13.675 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.056 -14.704 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.603 -13.003 2.577 1.00 0.00 H new ATOM 365 N GLU A 24 0.160 -12.137 2.282 1.00 0.00 N ATOM 366 CA GLU A 24 1.056 -11.072 1.819 1.00 0.00 C ATOM 367 C GLU A 24 2.504 -11.523 1.866 1.00 0.00 C ATOM 368 O GLU A 24 3.240 -11.314 0.923 1.00 0.00 O ATOM 369 CB GLU A 24 0.874 -9.762 2.599 1.00 0.00 C ATOM 370 CG GLU A 24 -0.282 -8.900 2.102 1.00 0.00 C ATOM 371 CD GLU A 24 -1.627 -9.569 2.230 1.00 0.00 C ATOM 372 OE1 GLU A 24 -2.112 -10.145 1.228 1.00 0.00 O ATOM 373 OE2 GLU A 24 -2.208 -9.522 3.320 1.00 0.00 O ATOM 0 H GLU A 24 -0.279 -11.969 3.187 1.00 0.00 H new ATOM 0 HA GLU A 24 0.784 -10.866 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.712 -9.997 3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.796 -9.184 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.295 -7.965 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.110 -8.643 1.057 1.00 0.00 H new ATOM 380 N LEU A 25 2.896 -12.147 2.967 1.00 0.00 N ATOM 381 CA LEU A 25 4.266 -12.665 3.112 1.00 0.00 C ATOM 382 C LEU A 25 4.605 -13.663 1.991 1.00 0.00 C ATOM 383 O LEU A 25 5.748 -13.755 1.549 1.00 0.00 O ATOM 384 CB LEU A 25 4.466 -13.327 4.493 1.00 0.00 C ATOM 385 CG LEU A 25 4.917 -12.410 5.659 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.246 -11.743 5.345 1.00 0.00 C ATOM 387 CD2 LEU A 25 3.863 -11.365 6.004 1.00 0.00 C ATOM 0 H LEU A 25 2.295 -12.311 3.775 1.00 0.00 H new ATOM 0 HA LEU A 25 4.946 -11.817 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.527 -13.801 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.204 -14.122 4.383 1.00 0.00 H new ATOM 0 HG LEU A 25 5.046 -13.047 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.539 -11.106 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.008 -12.506 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.146 -11.138 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.221 -10.745 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.673 -10.738 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.940 -11.863 6.301 1.00 0.00 H new ATOM 399 N GLU A 26 3.603 -14.420 1.567 1.00 0.00 N ATOM 400 CA GLU A 26 3.729 -15.400 0.486 1.00 0.00 C ATOM 401 C GLU A 26 3.928 -14.716 -0.877 1.00 0.00 C ATOM 402 O GLU A 26 4.444 -15.322 -1.823 1.00 0.00 O ATOM 403 CB GLU A 26 2.466 -16.271 0.469 1.00 0.00 C ATOM 404 CG GLU A 26 2.439 -17.365 -0.576 1.00 0.00 C ATOM 405 CD GLU A 26 1.207 -18.231 -0.443 1.00 0.00 C ATOM 406 OE1 GLU A 26 1.267 -19.253 0.277 1.00 0.00 O ATOM 407 OE2 GLU A 26 0.162 -17.893 -1.045 1.00 0.00 O ATOM 0 H GLU A 26 2.666 -14.374 1.966 1.00 0.00 H new ATOM 0 HA GLU A 26 4.610 -16.017 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.349 -16.729 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.603 -15.624 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.466 -16.920 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.331 -17.983 -0.479 1.00 0.00 H new ATOM 414 N ARG A 27 3.524 -13.451 -0.964 1.00 0.00 N ATOM 415 CA ARG A 27 3.646 -12.667 -2.214 1.00 0.00 C ATOM 416 C ARG A 27 5.093 -12.640 -2.756 1.00 0.00 C ATOM 417 O ARG A 27 5.303 -12.405 -3.944 1.00 0.00 O ATOM 418 CB ARG A 27 3.147 -11.220 -2.021 1.00 0.00 C ATOM 419 CG ARG A 27 2.983 -10.456 -3.322 1.00 0.00 C ATOM 420 CD ARG A 27 2.905 -8.950 -3.099 1.00 0.00 C ATOM 421 NE ARG A 27 1.829 -8.561 -2.182 1.00 0.00 N ATOM 422 CZ ARG A 27 0.540 -8.456 -2.523 1.00 0.00 C ATOM 423 NH1 ARG A 27 0.135 -8.788 -3.747 1.00 0.00 N ATOM 424 NH2 ARG A 27 -0.336 -8.009 -1.641 1.00 0.00 N ATOM 0 H ARG A 27 3.107 -12.936 -0.188 1.00 0.00 H new ATOM 0 HA ARG A 27 3.017 -13.172 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.191 -11.241 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.848 -10.685 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.821 -10.681 -3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.079 -10.794 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.857 -8.597 -2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.755 -8.454 -4.058 1.00 0.00 H new ATOM 0 HE ARG A 27 2.081 -8.356 -1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.810 -9.126 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.850 -8.705 -3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.028 -7.746 -0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.320 -7.927 -1.896 1.00 0.00 H new ATOM 438 N LEU A 28 6.084 -12.891 -1.887 1.00 0.00 N ATOM 439 CA LEU A 28 7.515 -12.861 -2.301 1.00 0.00 C ATOM 440 C LEU A 28 7.818 -13.883 -3.410 1.00 0.00 C ATOM 441 O LEU A 28 8.881 -13.838 -4.037 1.00 0.00 O ATOM 442 CB LEU A 28 8.486 -13.097 -1.110 1.00 0.00 C ATOM 443 CG LEU A 28 8.804 -14.569 -0.757 1.00 0.00 C ATOM 444 CD1 LEU A 28 9.896 -14.642 0.295 1.00 0.00 C ATOM 445 CD2 LEU A 28 7.565 -15.311 -0.282 1.00 0.00 C ATOM 0 H LEU A 28 5.935 -13.115 -0.903 1.00 0.00 H new ATOM 0 HA LEU A 28 7.682 -11.856 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.425 -12.589 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.064 -12.618 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 28 9.157 -15.055 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.106 -15.686 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.800 -14.167 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.567 -14.126 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.827 -16.342 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.167 -14.823 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.811 -15.302 -1.069 1.00 0.00 H new ATOM 457 N LYS A 29 6.907 -14.811 -3.619 1.00 0.00 N ATOM 458 CA LYS A 29 7.080 -15.826 -4.646 1.00 0.00 C ATOM 459 C LYS A 29 6.873 -15.223 -6.040 1.00 0.00 C ATOM 460 O LYS A 29 7.732 -15.337 -6.913 1.00 0.00 O ATOM 461 CB LYS A 29 6.114 -17.002 -4.423 1.00 0.00 C ATOM 462 CG LYS A 29 6.266 -18.127 -5.433 1.00 0.00 C ATOM 463 CD LYS A 29 5.301 -19.260 -5.142 1.00 0.00 C ATOM 464 CE LYS A 29 5.436 -20.376 -6.163 1.00 0.00 C ATOM 465 NZ LYS A 29 4.488 -21.484 -5.898 1.00 0.00 N ATOM 0 H LYS A 29 6.037 -14.886 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 29 8.100 -16.204 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.271 -17.403 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.090 -16.630 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.088 -17.744 -6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.289 -18.503 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.489 -19.653 -4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.279 -18.881 -5.148 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.259 -19.978 -7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.456 -20.760 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.611 -22.226 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.673 -21.881 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.513 -21.124 -5.937 1.00 0.00 H new ATOM 479 N SER A 30 5.738 -14.577 -6.232 1.00 0.00 N ATOM 480 CA SER A 30 5.396 -13.987 -7.517 1.00 0.00 C ATOM 481 C SER A 30 5.846 -12.527 -7.627 1.00 0.00 C ATOM 482 O SER A 30 5.856 -11.950 -8.722 1.00 0.00 O ATOM 483 CB SER A 30 3.891 -14.097 -7.730 1.00 0.00 C ATOM 484 OG SER A 30 3.197 -13.792 -6.527 1.00 0.00 O ATOM 0 H SER A 30 5.031 -14.446 -5.509 1.00 0.00 H new ATOM 0 HA SER A 30 5.927 -14.537 -8.294 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.578 -13.415 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.636 -15.105 -8.059 1.00 0.00 H new ATOM 0 HG SER A 30 2.232 -13.865 -6.679 1.00 0.00 H new ATOM 490 N GLU A 31 6.224 -11.935 -6.511 1.00 0.00 N ATOM 491 CA GLU A 31 6.631 -10.547 -6.491 1.00 0.00 C ATOM 492 C GLU A 31 7.975 -10.406 -5.792 1.00 0.00 C ATOM 493 O GLU A 31 8.428 -11.321 -5.114 1.00 0.00 O ATOM 494 CB GLU A 31 5.561 -9.693 -5.788 1.00 0.00 C ATOM 495 CG GLU A 31 5.799 -8.184 -5.851 1.00 0.00 C ATOM 496 CD GLU A 31 6.068 -7.690 -7.257 1.00 0.00 C ATOM 497 OE1 GLU A 31 5.101 -7.427 -7.994 1.00 0.00 O ATOM 498 OE2 GLU A 31 7.256 -7.565 -7.628 1.00 0.00 O ATOM 0 H GLU A 31 6.257 -12.398 -5.603 1.00 0.00 H new ATOM 0 HA GLU A 31 6.737 -10.193 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.591 -9.912 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.506 -9.994 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.928 -7.666 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.644 -7.927 -5.213 1.00 0.00 H new ATOM 505 N ARG A 32 8.610 -9.274 -5.974 1.00 0.00 N ATOM 506 CA ARG A 32 9.887 -8.988 -5.366 1.00 0.00 C ATOM 507 C ARG A 32 9.744 -8.881 -3.854 1.00 0.00 C ATOM 508 O ARG A 32 8.785 -8.285 -3.352 1.00 0.00 O ATOM 509 CB ARG A 32 10.425 -7.686 -5.942 1.00 0.00 C ATOM 510 CG ARG A 32 10.613 -7.737 -7.447 1.00 0.00 C ATOM 511 CD ARG A 32 10.616 -6.354 -8.055 1.00 0.00 C ATOM 512 NE ARG A 32 9.310 -5.709 -7.940 1.00 0.00 N ATOM 513 CZ ARG A 32 9.082 -4.428 -8.222 1.00 0.00 C ATOM 514 NH1 ARG A 32 10.069 -3.661 -8.671 1.00 0.00 N ATOM 515 NH2 ARG A 32 7.868 -3.919 -8.065 1.00 0.00 N ATOM 0 H ARG A 32 8.251 -8.517 -6.555 1.00 0.00 H new ATOM 0 HA ARG A 32 10.584 -9.798 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.740 -6.875 -5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.379 -7.453 -5.470 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.552 -8.239 -7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.815 -8.330 -7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.369 -5.741 -7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.898 -6.419 -9.106 1.00 0.00 H new ATOM 0 HE ARG A 32 8.523 -6.276 -7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.002 -4.053 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.894 -2.680 -8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.107 -4.509 -7.728 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.695 -2.937 -8.281 1.00 0.00 H new ATOM 529 N HIS A 33 10.705 -9.444 -3.128 1.00 0.00 N ATOM 530 CA HIS A 33 10.670 -9.427 -1.666 1.00 0.00 C ATOM 531 C HIS A 33 10.811 -7.999 -1.147 1.00 0.00 C ATOM 532 O HIS A 33 10.436 -7.694 -0.014 1.00 0.00 O ATOM 533 CB HIS A 33 11.770 -10.319 -1.077 1.00 0.00 C ATOM 534 CG HIS A 33 11.684 -10.479 0.414 1.00 0.00 C ATOM 535 ND1 HIS A 33 12.580 -9.907 1.291 1.00 0.00 N ATOM 536 CD2 HIS A 33 10.793 -11.146 1.179 1.00 0.00 C ATOM 537 CE1 HIS A 33 12.240 -10.216 2.528 1.00 0.00 C ATOM 538 NE2 HIS A 33 11.157 -10.966 2.490 1.00 0.00 N ATOM 0 H HIS A 33 11.517 -9.917 -3.525 1.00 0.00 H new ATOM 0 HA HIS A 33 9.706 -9.823 -1.347 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.716 -11.303 -1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.742 -9.898 -1.333 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.948 -11.717 0.824 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.762 -9.906 3.422 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.670 -11.349 3.300 1.00 0.00 H new ATOM 546 N ASP A 34 11.351 -7.131 -1.993 1.00 0.00 N ATOM 547 CA ASP A 34 11.502 -5.719 -1.663 1.00 0.00 C ATOM 548 C ASP A 34 10.145 -5.099 -1.395 1.00 0.00 C ATOM 549 O ASP A 34 9.987 -4.288 -0.484 1.00 0.00 O ATOM 550 CB ASP A 34 12.199 -4.973 -2.802 1.00 0.00 C ATOM 551 CG ASP A 34 13.581 -5.511 -3.091 1.00 0.00 C ATOM 552 OD1 ASP A 34 14.537 -5.102 -2.404 1.00 0.00 O ATOM 553 OD2 ASP A 34 13.720 -6.350 -4.007 1.00 0.00 O ATOM 0 H ASP A 34 11.694 -7.383 -2.920 1.00 0.00 H new ATOM 0 HA ASP A 34 12.116 -5.638 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.590 -5.044 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.271 -3.915 -2.548 1.00 0.00 H new ATOM 558 N HIS A 35 9.165 -5.508 -2.188 1.00 0.00 N ATOM 559 CA HIS A 35 7.791 -5.034 -2.030 1.00 0.00 C ATOM 560 C HIS A 35 7.160 -5.720 -0.828 1.00 0.00 C ATOM 561 O HIS A 35 6.493 -5.085 -0.011 1.00 0.00 O ATOM 562 CB HIS A 35 6.967 -5.317 -3.306 1.00 0.00 C ATOM 563 CG HIS A 35 5.537 -4.871 -3.228 1.00 0.00 C ATOM 564 ND1 HIS A 35 4.492 -5.732 -2.965 1.00 0.00 N ATOM 565 CD2 HIS A 35 4.978 -3.652 -3.398 1.00 0.00 C ATOM 566 CE1 HIS A 35 3.355 -5.059 -2.975 1.00 0.00 C ATOM 567 NE2 HIS A 35 3.623 -3.797 -3.236 1.00 0.00 N ATOM 0 H HIS A 35 9.294 -6.171 -2.952 1.00 0.00 H new ATOM 0 HA HIS A 35 7.800 -3.956 -1.868 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.445 -4.821 -4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.991 -6.387 -3.510 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.501 -2.734 -3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.373 -5.474 -2.799 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.935 -3.048 -3.306 1.00 0.00 H new ATOM 575 N ASP A 36 7.404 -7.023 -0.728 1.00 0.00 N ATOM 576 CA ASP A 36 6.884 -7.850 0.378 1.00 0.00 C ATOM 577 C ASP A 36 7.257 -7.272 1.741 1.00 0.00 C ATOM 578 O ASP A 36 6.384 -7.000 2.562 1.00 0.00 O ATOM 579 CB ASP A 36 7.401 -9.302 0.265 1.00 0.00 C ATOM 580 CG ASP A 36 7.180 -10.107 1.533 1.00 0.00 C ATOM 581 OD1 ASP A 36 8.124 -10.201 2.351 1.00 0.00 O ATOM 582 OD2 ASP A 36 6.096 -10.658 1.704 1.00 0.00 O ATOM 0 H ASP A 36 7.964 -7.542 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 36 5.797 -7.849 0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.899 -9.797 -0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.466 -9.286 0.031 1.00 0.00 H new ATOM 587 N LYS A 37 8.553 -7.063 1.965 1.00 0.00 N ATOM 588 CA LYS A 37 9.040 -6.557 3.253 1.00 0.00 C ATOM 589 C LYS A 37 8.386 -5.229 3.628 1.00 0.00 C ATOM 590 O LYS A 37 7.964 -5.040 4.767 1.00 0.00 O ATOM 591 CB LYS A 37 10.577 -6.416 3.268 1.00 0.00 C ATOM 592 CG LYS A 37 11.106 -5.723 4.519 1.00 0.00 C ATOM 593 CD LYS A 37 12.625 -5.748 4.601 1.00 0.00 C ATOM 594 CE LYS A 37 13.143 -7.142 4.915 1.00 0.00 C ATOM 595 NZ LYS A 37 14.587 -7.132 5.252 1.00 0.00 N ATOM 0 H LYS A 37 9.285 -7.235 1.276 1.00 0.00 H new ATOM 0 HA LYS A 37 8.757 -7.297 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.027 -7.406 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.892 -5.854 2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.762 -4.689 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.690 -6.207 5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.047 -5.406 3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.960 -5.052 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.579 -7.560 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.975 -7.794 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.902 -8.101 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.129 -6.757 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.745 -6.531 6.086 1.00 0.00 H new ATOM 609 N LYS A 38 8.288 -4.323 2.668 1.00 0.00 N ATOM 610 CA LYS A 38 7.723 -3.005 2.929 1.00 0.00 C ATOM 611 C LYS A 38 6.224 -3.077 3.217 1.00 0.00 C ATOM 612 O LYS A 38 5.709 -2.335 4.055 1.00 0.00 O ATOM 613 CB LYS A 38 7.993 -2.055 1.762 1.00 0.00 C ATOM 614 CG LYS A 38 9.473 -1.831 1.482 1.00 0.00 C ATOM 615 CD LYS A 38 9.672 -0.840 0.353 1.00 0.00 C ATOM 616 CE LYS A 38 11.142 -0.671 0.003 1.00 0.00 C ATOM 617 NZ LYS A 38 11.743 -1.929 -0.502 1.00 0.00 N ATOM 0 H LYS A 38 8.590 -4.473 1.705 1.00 0.00 H new ATOM 0 HA LYS A 38 8.215 -2.615 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.519 -2.453 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.523 -1.094 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.965 -1.464 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.945 -2.779 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.125 -1.177 -0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.253 0.125 0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.247 0.109 -0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.688 -0.337 0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.471 -2.258 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.004 -2.655 -0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.176 -1.758 -1.432 1.00 0.00 H new ATOM 631 N GLU A 39 5.530 -3.973 2.534 1.00 0.00 N ATOM 632 CA GLU A 39 4.087 -4.117 2.731 1.00 0.00 C ATOM 633 C GLU A 39 3.790 -4.871 4.027 1.00 0.00 C ATOM 634 O GLU A 39 2.880 -4.507 4.779 1.00 0.00 O ATOM 635 CB GLU A 39 3.430 -4.818 1.531 1.00 0.00 C ATOM 636 CG GLU A 39 1.912 -4.805 1.573 1.00 0.00 C ATOM 637 CD GLU A 39 1.291 -5.277 0.280 1.00 0.00 C ATOM 638 OE1 GLU A 39 0.781 -6.420 0.237 1.00 0.00 O ATOM 639 OE2 GLU A 39 1.301 -4.504 -0.702 1.00 0.00 O ATOM 0 H GLU A 39 5.932 -4.608 1.844 1.00 0.00 H new ATOM 0 HA GLU A 39 3.659 -3.118 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.763 -4.335 0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.775 -5.851 1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.569 -5.441 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.567 -3.794 1.790 1.00 0.00 H new ATOM 646 N ALA A 40 4.575 -5.905 4.294 1.00 0.00 N ATOM 647 CA ALA A 40 4.414 -6.698 5.516 1.00 0.00 C ATOM 648 C ALA A 40 4.804 -5.882 6.741 1.00 0.00 C ATOM 649 O ALA A 40 4.282 -6.093 7.832 1.00 0.00 O ATOM 650 CB ALA A 40 5.237 -7.984 5.453 1.00 0.00 C ATOM 0 H ALA A 40 5.331 -6.218 3.685 1.00 0.00 H new ATOM 0 HA ALA A 40 3.362 -6.972 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.097 -8.551 6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.910 -8.584 4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.292 -7.736 5.337 1.00 0.00 H new ATOM 656 N GLU A 41 5.715 -4.938 6.545 1.00 0.00 N ATOM 657 CA GLU A 41 6.163 -4.069 7.633 1.00 0.00 C ATOM 658 C GLU A 41 4.987 -3.273 8.185 1.00 0.00 C ATOM 659 O GLU A 41 4.832 -3.130 9.399 1.00 0.00 O ATOM 660 CB GLU A 41 7.273 -3.118 7.164 1.00 0.00 C ATOM 661 CG GLU A 41 7.883 -2.292 8.278 1.00 0.00 C ATOM 662 CD GLU A 41 9.005 -1.414 7.791 1.00 0.00 C ATOM 663 OE1 GLU A 41 8.743 -0.235 7.451 1.00 0.00 O ATOM 664 OE2 GLU A 41 10.158 -1.889 7.739 1.00 0.00 O ATOM 0 H GLU A 41 6.159 -4.752 5.646 1.00 0.00 H new ATOM 0 HA GLU A 41 6.571 -4.699 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.059 -3.701 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.867 -2.447 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.110 -1.672 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.257 -2.957 9.057 1.00 0.00 H new ATOM 671 N ARG A 42 4.148 -2.771 7.281 1.00 0.00 N ATOM 672 CA ARG A 42 2.964 -2.015 7.669 1.00 0.00 C ATOM 673 C ARG A 42 2.027 -2.872 8.513 1.00 0.00 C ATOM 674 O ARG A 42 1.347 -2.367 9.413 1.00 0.00 O ATOM 675 CB ARG A 42 2.229 -1.483 6.441 1.00 0.00 C ATOM 676 CG ARG A 42 3.056 -0.533 5.596 1.00 0.00 C ATOM 677 CD ARG A 42 2.204 0.151 4.543 1.00 0.00 C ATOM 678 NE ARG A 42 2.974 1.109 3.752 1.00 0.00 N ATOM 679 CZ ARG A 42 2.955 2.434 3.943 1.00 0.00 C ATOM 680 NH1 ARG A 42 2.243 2.959 4.934 1.00 0.00 N ATOM 681 NH2 ARG A 42 3.662 3.231 3.149 1.00 0.00 N ATOM 0 H ARG A 42 4.269 -2.876 6.274 1.00 0.00 H new ATOM 0 HA ARG A 42 3.293 -1.166 8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.916 -2.325 5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.323 -0.971 6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.519 0.218 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.864 -1.082 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.772 -0.601 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.373 0.665 5.027 1.00 0.00 H new ATOM 0 HE ARG A 42 3.565 0.744 3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.707 2.352 5.554 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.232 3.969 5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.220 2.833 2.393 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.647 4.240 3.295 1.00 0.00 H new ATOM 695 N LYS A 43 2.001 -4.169 8.218 1.00 0.00 N ATOM 696 CA LYS A 43 1.185 -5.115 8.973 1.00 0.00 C ATOM 697 C LYS A 43 1.667 -5.214 10.402 1.00 0.00 C ATOM 698 O LYS A 43 0.900 -5.010 11.329 1.00 0.00 O ATOM 699 CB LYS A 43 1.206 -6.506 8.343 1.00 0.00 C ATOM 700 CG LYS A 43 0.396 -6.634 7.077 1.00 0.00 C ATOM 701 CD LYS A 43 0.473 -8.046 6.539 1.00 0.00 C ATOM 702 CE LYS A 43 -0.666 -8.340 5.590 1.00 0.00 C ATOM 703 NZ LYS A 43 -1.985 -8.267 6.265 1.00 0.00 N ATOM 0 H LYS A 43 2.537 -4.590 7.459 1.00 0.00 H new ATOM 0 HA LYS A 43 0.162 -4.738 8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.239 -6.777 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.834 -7.226 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.643 -6.370 7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.766 -5.933 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.423 -8.189 6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.450 -8.754 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.642 -7.630 4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.533 -9.333 5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.658 -8.896 5.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.884 -8.564 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.339 -7.290 6.230 1.00 0.00 H new ATOM 717 N ALA A 44 2.949 -5.519 10.563 1.00 0.00 N ATOM 718 CA ALA A 44 3.553 -5.664 11.897 1.00 0.00 C ATOM 719 C ALA A 44 3.300 -4.430 12.758 1.00 0.00 C ATOM 720 O ALA A 44 3.044 -4.534 13.961 1.00 0.00 O ATOM 721 CB ALA A 44 5.054 -5.933 11.790 1.00 0.00 C ATOM 0 H ALA A 44 3.597 -5.672 9.790 1.00 0.00 H new ATOM 0 HA ALA A 44 3.079 -6.519 12.379 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.477 -6.036 12.789 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.220 -6.853 11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.537 -5.102 11.276 1.00 0.00 H new ATOM 727 N LEU A 45 3.365 -3.267 12.135 1.00 0.00 N ATOM 728 CA LEU A 45 3.156 -2.012 12.836 1.00 0.00 C ATOM 729 C LEU A 45 1.695 -1.823 13.231 1.00 0.00 C ATOM 730 O LEU A 45 1.397 -1.435 14.359 1.00 0.00 O ATOM 731 CB LEU A 45 3.617 -0.834 11.974 1.00 0.00 C ATOM 732 CG LEU A 45 5.064 -0.890 11.480 1.00 0.00 C ATOM 733 CD1 LEU A 45 5.366 0.300 10.590 1.00 0.00 C ATOM 734 CD2 LEU A 45 6.032 -0.941 12.649 1.00 0.00 C ATOM 0 H LEU A 45 3.562 -3.165 11.139 1.00 0.00 H new ATOM 0 HA LEU A 45 3.751 -2.046 13.749 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.960 -0.765 11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.485 0.084 12.547 1.00 0.00 H new ATOM 0 HG LEU A 45 5.190 -1.801 10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.399 0.245 10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.697 0.290 9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.219 1.222 11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.054 -0.980 12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.906 -0.051 13.265 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.832 -1.829 13.249 1.00 0.00 H new ATOM 746 N GLU A 46 0.796 -2.107 12.305 1.00 0.00 N ATOM 747 CA GLU A 46 -0.638 -1.935 12.553 1.00 0.00 C ATOM 748 C GLU A 46 -1.155 -3.004 13.507 1.00 0.00 C ATOM 749 O GLU A 46 -2.020 -2.743 14.337 1.00 0.00 O ATOM 750 CB GLU A 46 -1.429 -1.978 11.236 1.00 0.00 C ATOM 751 CG GLU A 46 -2.916 -1.710 11.395 1.00 0.00 C ATOM 752 CD GLU A 46 -3.649 -1.762 10.078 1.00 0.00 C ATOM 753 OE1 GLU A 46 -3.685 -0.734 9.371 1.00 0.00 O ATOM 754 OE2 GLU A 46 -4.187 -2.832 9.733 1.00 0.00 O ATOM 0 H GLU A 46 1.025 -2.457 11.375 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.782 -0.958 13.014 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.010 -1.243 10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.295 -2.957 10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.345 -2.445 12.077 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.060 -0.730 11.850 1.00 0.00 H new ATOM 761 N ASP A 47 -0.610 -4.193 13.384 1.00 0.00 N ATOM 762 CA ASP A 47 -1.022 -5.332 14.207 1.00 0.00 C ATOM 763 C ASP A 47 -0.599 -5.172 15.669 1.00 0.00 C ATOM 764 O ASP A 47 -1.449 -5.006 16.544 1.00 0.00 O ATOM 765 CB ASP A 47 -0.478 -6.644 13.625 1.00 0.00 C ATOM 766 CG ASP A 47 -0.749 -7.841 14.501 1.00 0.00 C ATOM 767 OD1 ASP A 47 -1.855 -8.404 14.428 1.00 0.00 O ATOM 768 OD2 ASP A 47 0.168 -8.245 15.242 1.00 0.00 O ATOM 0 H ASP A 47 0.130 -4.408 12.716 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.111 -5.365 14.190 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.924 -6.811 12.645 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.597 -6.549 13.474 1.00 0.00 H new ATOM 773 N LYS A 48 0.721 -5.193 15.931 1.00 0.00 N ATOM 774 CA LYS A 48 1.239 -5.112 17.309 1.00 0.00 C ATOM 775 C LYS A 48 0.532 -6.124 18.249 1.00 0.00 C ATOM 776 O LYS A 48 0.003 -5.737 19.300 1.00 0.00 O ATOM 777 CB LYS A 48 1.091 -3.686 17.859 1.00 0.00 C ATOM 778 CG LYS A 48 2.136 -2.713 17.336 1.00 0.00 C ATOM 779 CD LYS A 48 3.529 -3.084 17.831 1.00 0.00 C ATOM 780 CE LYS A 48 4.579 -2.105 17.337 1.00 0.00 C ATOM 781 NZ LYS A 48 4.695 -2.118 15.862 1.00 0.00 N ATOM 0 H LYS A 48 1.442 -5.265 15.214 1.00 0.00 H new ATOM 0 HA LYS A 48 2.297 -5.371 17.275 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.100 -3.310 17.606 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.151 -3.718 18.947 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.123 -2.712 16.246 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.889 -1.702 17.659 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.535 -3.105 18.921 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.780 -4.089 17.492 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.324 -1.100 17.672 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.544 -2.354 17.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.699 -2.082 15.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.267 -2.989 15.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.201 -1.292 15.468 1.00 0.00 H new ATOM 795 N LEU A 49 0.498 -7.413 17.827 1.00 0.00 N ATOM 796 CA LEU A 49 -0.093 -8.530 18.585 1.00 0.00 C ATOM 797 C LEU A 49 -1.591 -8.586 18.382 1.00 0.00 C ATOM 798 O LEU A 49 -2.151 -9.641 18.094 1.00 0.00 O ATOM 799 CB LEU A 49 0.259 -8.461 20.081 1.00 0.00 C ATOM 800 CG LEU A 49 1.749 -8.572 20.417 1.00 0.00 C ATOM 801 CD1 LEU A 49 1.981 -8.309 21.890 1.00 0.00 C ATOM 802 CD2 LEU A 49 2.285 -9.944 20.030 1.00 0.00 C ATOM 0 H LEU A 49 0.890 -7.704 16.932 1.00 0.00 H new ATOM 0 HA LEU A 49 0.340 -9.451 18.195 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.116 -7.519 20.481 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.272 -9.260 20.598 1.00 0.00 H new ATOM 0 HG LEU A 49 2.287 -7.818 19.842 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.045 -8.392 22.111 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.636 -7.306 22.139 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.429 -9.040 22.481 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.345 -10.003 20.277 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.742 -10.714 20.577 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.152 -10.098 18.959 1.00 0.00 H new ATOM 814 N ALA A 50 -2.225 -7.459 18.554 1.00 0.00 N ATOM 815 CA ALA A 50 -3.656 -7.339 18.355 1.00 0.00 C ATOM 816 C ALA A 50 -4.048 -5.894 18.131 1.00 0.00 C ATOM 817 O ALA A 50 -3.857 -5.046 19.008 1.00 0.00 O ATOM 818 CB ALA A 50 -4.414 -7.914 19.547 1.00 0.00 C ATOM 0 H ALA A 50 -1.769 -6.592 18.837 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.923 -7.910 17.466 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.486 -7.815 19.379 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.161 -8.968 19.665 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.137 -7.371 20.451 1.00 0.00 H new ATOM 824 N ASP A 51 -4.594 -5.615 16.968 1.00 0.00 N ATOM 825 CA ASP A 51 -5.026 -4.262 16.644 1.00 0.00 C ATOM 826 C ASP A 51 -6.375 -3.974 17.271 1.00 0.00 C ATOM 827 O ASP A 51 -6.587 -2.915 17.862 1.00 0.00 O ATOM 828 CB ASP A 51 -5.083 -4.041 15.131 1.00 0.00 C ATOM 829 CG ASP A 51 -5.535 -2.634 14.772 1.00 0.00 C ATOM 830 OD1 ASP A 51 -4.748 -1.677 14.965 1.00 0.00 O ATOM 831 OD2 ASP A 51 -6.678 -2.473 14.299 1.00 0.00 O ATOM 0 H ASP A 51 -4.752 -6.300 16.229 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.291 -3.570 17.055 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.098 -4.225 14.701 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.765 -4.765 14.685 1.00 0.00 H new ATOM 836 N TYR A 52 -7.281 -4.923 17.152 1.00 0.00 N ATOM 837 CA TYR A 52 -8.604 -4.785 17.729 1.00 0.00 C ATOM 838 C TYR A 52 -8.638 -5.401 19.117 1.00 0.00 C ATOM 839 O TYR A 52 -8.282 -4.701 20.087 1.00 0.00 O ATOM 840 CB TYR A 52 -9.659 -5.439 16.831 1.00 0.00 C ATOM 841 CG TYR A 52 -9.803 -4.783 15.477 1.00 0.00 C ATOM 842 CD1 TYR A 52 -9.125 -5.274 14.368 1.00 0.00 C ATOM 843 CD2 TYR A 52 -10.616 -3.669 15.307 1.00 0.00 C ATOM 844 CE1 TYR A 52 -9.252 -4.675 13.131 1.00 0.00 C ATOM 845 CE2 TYR A 52 -10.749 -3.065 14.073 1.00 0.00 C ATOM 846 CZ TYR A 52 -10.065 -3.571 12.989 1.00 0.00 C ATOM 847 OH TYR A 52 -10.194 -2.971 11.755 1.00 0.00 O ATOM 848 OXT TYR A 52 -8.999 -6.587 19.234 1.00 0.00 O ATOM 0 H TYR A 52 -7.125 -5.802 16.659 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.835 -3.723 17.810 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -9.401 -6.489 16.690 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.622 -5.413 17.341 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.488 -6.139 14.476 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -11.153 -3.269 16.155 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.717 -5.069 12.279 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -11.386 -2.200 13.958 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.804 -2.207 11.825 1.00 0.00 H new TER 858 TYR A 52