USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 668 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0268) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.904 K(o=-0.9,f=0.35) USER MOD Single : A 14 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-0.87) USER MOD Single : A 18 ASN : amide:sc= -0.0341 X(o=-0.034,f=-0.033) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.574 K(o=-0.57,f=-0.016) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= -0.7! (180deg=-1.02!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -139:sc= 0.033 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.0968 (180deg=-0.721) USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= -0.049 (180deg=-0.507) USER MOD Single : A 63 SER OG : rot 58:sc= -0.629! USER MOD Single : A 65 THR OG1 : rot -75:sc= 0.645 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -169:sc= -2.66! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.695 -12.844 8.389 1.00 0.00 N ATOM 2 CA MET A 1 -4.986 -13.368 9.585 1.00 0.00 C ATOM 3 C MET A 1 -5.968 -13.721 10.697 1.00 0.00 C ATOM 4 O MET A 1 -6.035 -13.037 11.718 1.00 0.00 O ATOM 5 CB MET A 1 -4.000 -12.304 10.070 1.00 0.00 C ATOM 6 CG MET A 1 -3.230 -12.711 11.315 1.00 0.00 C ATOM 7 SD MET A 1 -3.174 -11.405 12.556 1.00 0.00 S ATOM 8 CE MET A 1 -1.460 -10.900 12.441 1.00 0.00 C ATOM 0 H1 MET A 1 -5.010 -12.676 7.625 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.402 -13.538 8.073 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.170 -11.951 8.631 1.00 0.00 H new ATOM 0 HA MET A 1 -4.454 -14.280 9.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.292 -12.085 9.271 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.545 -11.382 10.275 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.691 -13.599 11.748 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.213 -12.984 11.035 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.269 -10.095 13.151 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.815 -11.748 12.672 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.251 -10.549 11.430 1.00 0.00 H new ATOM 20 N LYS A 2 -6.728 -14.791 10.491 1.00 0.00 N ATOM 21 CA LYS A 2 -7.706 -15.235 11.476 1.00 0.00 C ATOM 22 C LYS A 2 -8.757 -14.157 11.723 1.00 0.00 C ATOM 23 O LYS A 2 -9.088 -13.850 12.869 1.00 0.00 O ATOM 24 CB LYS A 2 -7.011 -15.596 12.789 1.00 0.00 C ATOM 25 CG LYS A 2 -7.473 -16.920 13.377 1.00 0.00 C ATOM 26 CD LYS A 2 -8.984 -16.965 13.530 1.00 0.00 C ATOM 27 CE LYS A 2 -9.411 -18.027 14.532 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.756 -17.742 15.102 1.00 0.00 N ATOM 0 H LYS A 2 -6.685 -15.367 9.650 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.205 -16.120 11.082 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.935 -15.638 12.621 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.190 -14.803 13.515 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.147 -17.738 12.735 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.003 -17.071 14.349 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.347 -15.990 13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.443 -17.170 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.422 -19.002 14.045 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.679 -18.081 15.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.011 -18.488 15.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.739 -16.823 15.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.459 -17.715 14.336 1.00 0.00 H new ATOM 42 N ARG A 3 -9.276 -13.585 10.643 1.00 0.00 N ATOM 43 CA ARG A 3 -10.290 -12.542 10.742 1.00 0.00 C ATOM 44 C ARG A 3 -11.224 -12.576 9.537 1.00 0.00 C ATOM 45 O ARG A 3 -10.864 -12.132 8.447 1.00 0.00 O ATOM 46 CB ARG A 3 -9.628 -11.168 10.850 1.00 0.00 C ATOM 47 CG ARG A 3 -8.381 -11.024 9.993 1.00 0.00 C ATOM 48 CD ARG A 3 -7.565 -9.807 10.396 1.00 0.00 C ATOM 49 NE ARG A 3 -7.685 -8.722 9.426 1.00 0.00 N ATOM 50 CZ ARG A 3 -7.225 -7.493 9.635 1.00 0.00 C ATOM 51 NH1 ARG A 3 -6.617 -7.195 10.775 1.00 0.00 N ATOM 52 NH2 ARG A 3 -7.372 -6.561 8.704 1.00 0.00 N ATOM 0 H ARG A 3 -9.011 -13.826 9.688 1.00 0.00 H new ATOM 0 HA ARG A 3 -10.879 -12.726 11.641 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.348 -10.403 10.560 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.366 -10.981 11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.769 -11.921 10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.667 -10.941 8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.895 -9.457 11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.517 -10.090 10.496 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.148 -8.919 8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.502 -7.910 11.493 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.265 -6.251 10.933 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.839 -6.787 7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.018 -5.618 8.866 1.00 0.00 H new ATOM 66 N GLU A 4 -12.425 -13.106 9.740 1.00 0.00 N ATOM 67 CA GLU A 4 -13.411 -13.199 8.671 1.00 0.00 C ATOM 68 C GLU A 4 -14.408 -12.047 8.747 1.00 0.00 C ATOM 69 O GLU A 4 -14.968 -11.768 9.807 1.00 0.00 O ATOM 70 CB GLU A 4 -14.154 -14.535 8.747 1.00 0.00 C ATOM 71 CG GLU A 4 -13.239 -15.746 8.652 1.00 0.00 C ATOM 72 CD GLU A 4 -13.975 -17.051 8.878 1.00 0.00 C ATOM 73 OE1 GLU A 4 -15.194 -17.101 8.610 1.00 0.00 O ATOM 74 OE2 GLU A 4 -13.333 -18.025 9.325 1.00 0.00 O ATOM 0 H GLU A 4 -12.739 -13.478 10.636 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.883 -13.138 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.707 -14.581 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.887 -14.580 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.768 -15.764 7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.440 -15.652 9.387 1.00 0.00 H new ATOM 81 N ILE A 5 -14.624 -11.382 7.617 1.00 0.00 N ATOM 82 CA ILE A 5 -15.556 -10.260 7.554 1.00 0.00 C ATOM 83 C ILE A 5 -16.315 -10.248 6.232 1.00 0.00 C ATOM 84 O ILE A 5 -15.940 -10.938 5.284 1.00 0.00 O ATOM 85 CB ILE A 5 -14.853 -8.902 7.745 1.00 0.00 C ATOM 86 CG1 ILE A 5 -13.427 -8.951 7.217 1.00 0.00 C ATOM 87 CG2 ILE A 5 -14.839 -8.525 9.210 1.00 0.00 C ATOM 88 CD1 ILE A 5 -13.033 -7.737 6.405 1.00 0.00 C ATOM 0 H ILE A 5 -14.167 -11.600 6.732 1.00 0.00 H new ATOM 0 HA ILE A 5 -16.257 -10.402 8.377 1.00 0.00 H new ATOM 0 HB ILE A 5 -15.408 -8.151 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.741 -9.051 8.058 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -13.308 -9.842 6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -14.340 -7.564 9.334 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.863 -8.452 9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.304 -9.287 9.777 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.004 -7.846 6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.693 -7.646 5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.118 -6.843 7.023 1.00 0.00 H new ATOM 100 N LEU A 6 -17.383 -9.459 6.175 1.00 0.00 N ATOM 101 CA LEU A 6 -18.195 -9.358 4.968 1.00 0.00 C ATOM 102 C LEU A 6 -19.083 -8.120 5.008 1.00 0.00 C ATOM 103 O LEU A 6 -20.193 -8.159 5.537 1.00 0.00 O ATOM 104 CB LEU A 6 -19.061 -10.608 4.805 1.00 0.00 C ATOM 105 CG LEU A 6 -19.688 -11.136 6.098 1.00 0.00 C ATOM 106 CD1 LEU A 6 -20.857 -12.056 5.784 1.00 0.00 C ATOM 107 CD2 LEU A 6 -18.647 -11.859 6.938 1.00 0.00 C ATOM 0 H LEU A 6 -17.706 -8.880 6.950 1.00 0.00 H new ATOM 0 HA LEU A 6 -17.520 -9.273 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -19.859 -10.388 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -18.452 -11.398 4.365 1.00 0.00 H new ATOM 0 HG LEU A 6 -20.063 -10.289 6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -21.291 -12.423 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -21.612 -11.506 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -20.506 -12.900 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.110 -12.228 7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.242 -12.698 6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.841 -11.170 7.191 1.00 0.00 H new ATOM 119 N LYS A 7 -18.590 -7.024 4.438 1.00 0.00 N ATOM 120 CA LYS A 7 -19.343 -5.776 4.411 1.00 0.00 C ATOM 121 C LYS A 7 -18.554 -4.678 3.704 1.00 0.00 C ATOM 122 O LYS A 7 -19.110 -3.910 2.918 1.00 0.00 O ATOM 123 CB LYS A 7 -19.691 -5.339 5.833 1.00 0.00 C ATOM 124 CG LYS A 7 -20.478 -4.041 5.897 1.00 0.00 C ATOM 125 CD LYS A 7 -20.955 -3.748 7.310 1.00 0.00 C ATOM 126 CE LYS A 7 -22.005 -2.650 7.329 1.00 0.00 C ATOM 127 NZ LYS A 7 -23.358 -3.180 7.656 1.00 0.00 N ATOM 0 H LYS A 7 -17.675 -6.976 3.990 1.00 0.00 H new ATOM 0 HA LYS A 7 -20.265 -5.947 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -20.268 -6.128 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.770 -5.224 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.855 -3.219 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.336 -4.101 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -21.368 -4.655 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -20.107 -3.452 7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -21.725 -1.893 8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -22.033 -2.158 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -24.045 -2.399 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -23.637 -3.884 6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -23.338 -3.627 8.595 1.00 0.00 H new ATOM 141 N HIS A 8 -17.258 -4.610 3.988 1.00 0.00 N ATOM 142 CA HIS A 8 -16.393 -3.607 3.378 1.00 0.00 C ATOM 143 C HIS A 8 -16.451 -3.690 1.856 1.00 0.00 C ATOM 144 O HIS A 8 -16.450 -4.779 1.283 1.00 0.00 O ATOM 145 CB HIS A 8 -14.951 -3.789 3.855 1.00 0.00 C ATOM 146 CG HIS A 8 -14.505 -2.745 4.830 1.00 0.00 C ATOM 147 ND1 HIS A 8 -14.655 -2.875 6.195 1.00 0.00 N ATOM 148 CD2 HIS A 8 -13.911 -1.543 4.634 1.00 0.00 C ATOM 149 CE1 HIS A 8 -14.172 -1.802 6.795 1.00 0.00 C ATOM 150 NE2 HIS A 8 -13.715 -0.979 5.870 1.00 0.00 N ATOM 0 H HIS A 8 -16.783 -5.238 4.637 1.00 0.00 H new ATOM 0 HA HIS A 8 -16.749 -2.623 3.684 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.851 -4.771 4.317 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -14.287 -3.774 2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.642 -1.109 3.682 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -14.154 -1.628 7.861 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -13.286 -0.071 6.045 1.00 0.00 H new ATOM 159 N GLN A 9 -16.502 -2.531 1.207 1.00 0.00 N ATOM 160 CA GLN A 9 -16.560 -2.473 -0.249 1.00 0.00 C ATOM 161 C GLN A 9 -15.667 -1.361 -0.787 1.00 0.00 C ATOM 162 O GLN A 9 -15.154 -0.540 -0.027 1.00 0.00 O ATOM 163 CB GLN A 9 -18.001 -2.251 -0.714 1.00 0.00 C ATOM 164 CG GLN A 9 -18.938 -3.395 -0.362 1.00 0.00 C ATOM 165 CD GLN A 9 -18.631 -4.661 -1.138 1.00 0.00 C ATOM 166 OE1 GLN A 9 -17.707 -5.401 -0.800 1.00 0.00 O ATOM 167 NE2 GLN A 9 -19.405 -4.915 -2.187 1.00 0.00 N ATOM 0 H GLN A 9 -16.504 -1.620 1.666 1.00 0.00 H new ATOM 0 HA GLN A 9 -16.200 -3.425 -0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -18.380 -1.332 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.007 -2.107 -1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.867 -3.602 0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -19.966 -3.092 -0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -20.160 -4.274 -2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.245 -5.751 -2.749 1.00 0.00 H new ATOM 176 N LEU A 10 -15.486 -1.338 -2.103 1.00 0.00 N ATOM 177 CA LEU A 10 -14.657 -0.324 -2.745 1.00 0.00 C ATOM 178 C LEU A 10 -13.198 -0.465 -2.323 1.00 0.00 C ATOM 179 O LEU A 10 -12.888 -0.531 -1.133 1.00 0.00 O ATOM 180 CB LEU A 10 -15.169 1.075 -2.394 1.00 0.00 C ATOM 181 CG LEU A 10 -16.690 1.231 -2.418 1.00 0.00 C ATOM 182 CD1 LEU A 10 -17.127 2.340 -1.472 1.00 0.00 C ATOM 183 CD2 LEU A 10 -17.176 1.512 -3.832 1.00 0.00 C ATOM 0 H LEU A 10 -15.903 -2.011 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.718 -0.468 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.807 1.339 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.734 1.790 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.137 0.296 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -18.212 2.437 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -16.812 2.098 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -16.670 3.281 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -18.261 1.620 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -16.721 2.433 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.895 0.685 -4.484 1.00 0.00 H new ATOM 195 N VAL A 11 -12.305 -0.508 -3.306 1.00 0.00 N ATOM 196 CA VAL A 11 -10.877 -0.642 -3.039 1.00 0.00 C ATOM 197 C VAL A 11 -10.057 0.282 -3.935 1.00 0.00 C ATOM 198 O VAL A 11 -10.490 0.651 -5.026 1.00 0.00 O ATOM 199 CB VAL A 11 -10.399 -2.091 -3.242 1.00 0.00 C ATOM 200 CG1 VAL A 11 -11.024 -3.011 -2.202 1.00 0.00 C ATOM 201 CG2 VAL A 11 -10.720 -2.568 -4.650 1.00 0.00 C ATOM 0 H VAL A 11 -12.545 -0.452 -4.296 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.726 -0.360 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.317 -2.118 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.674 -4.031 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.736 -2.681 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.110 -2.981 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.374 -3.594 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.797 -2.526 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.219 -1.926 -5.375 1.00 0.00 H new ATOM 211 N PRO A 12 -8.853 0.671 -3.479 1.00 0.00 N ATOM 212 CA PRO A 12 -7.966 1.558 -4.238 1.00 0.00 C ATOM 213 C PRO A 12 -7.376 0.875 -5.468 1.00 0.00 C ATOM 214 O PRO A 12 -7.709 -0.269 -5.775 1.00 0.00 O ATOM 215 CB PRO A 12 -6.862 1.898 -3.234 1.00 0.00 C ATOM 216 CG PRO A 12 -6.844 0.747 -2.288 1.00 0.00 C ATOM 217 CD PRO A 12 -8.265 0.274 -2.185 1.00 0.00 C ATOM 0 HA PRO A 12 -8.494 2.430 -4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.899 2.018 -3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.072 2.833 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.194 -0.048 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.462 1.049 -1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.320 -0.804 -2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.784 0.741 -1.348 1.00 0.00 H new ATOM 225 N GLU A 13 -6.496 1.587 -6.166 1.00 0.00 N ATOM 226 CA GLU A 13 -5.855 1.052 -7.361 1.00 0.00 C ATOM 227 C GLU A 13 -4.428 0.606 -7.057 1.00 0.00 C ATOM 228 O GLU A 13 -3.610 1.393 -6.583 1.00 0.00 O ATOM 229 CB GLU A 13 -5.845 2.103 -8.473 1.00 0.00 C ATOM 230 CG GLU A 13 -7.068 2.046 -9.374 1.00 0.00 C ATOM 231 CD GLU A 13 -7.224 3.291 -10.224 1.00 0.00 C ATOM 232 OE1 GLU A 13 -6.415 3.480 -11.156 1.00 0.00 O ATOM 233 OE2 GLU A 13 -8.158 4.078 -9.959 1.00 0.00 O ATOM 0 H GLU A 13 -6.211 2.536 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.426 0.185 -7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.780 3.094 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.950 1.969 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.996 1.174 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.960 1.914 -8.762 1.00 0.00 H new ATOM 240 N HIS A 14 -4.136 -0.661 -7.334 1.00 0.00 N ATOM 241 CA HIS A 14 -2.809 -1.212 -7.078 1.00 0.00 C ATOM 242 C HIS A 14 -1.944 -1.157 -8.332 1.00 0.00 C ATOM 243 O HIS A 14 -2.305 -1.706 -9.374 1.00 0.00 O ATOM 244 CB HIS A 14 -2.901 -2.661 -6.579 1.00 0.00 C ATOM 245 CG HIS A 14 -4.220 -3.025 -5.964 1.00 0.00 C ATOM 246 ND1 HIS A 14 -4.868 -2.229 -5.043 1.00 0.00 N ATOM 247 CD2 HIS A 14 -5.014 -4.108 -6.147 1.00 0.00 C ATOM 248 CE1 HIS A 14 -6.001 -2.806 -4.684 1.00 0.00 C ATOM 249 NE2 HIS A 14 -6.113 -3.946 -5.340 1.00 0.00 N ATOM 0 H HIS A 14 -4.799 -1.325 -7.735 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.346 -0.601 -6.303 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.707 -3.333 -7.415 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.113 -2.830 -5.845 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.819 -4.942 -6.805 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.714 -2.412 -3.975 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.891 -4.601 -5.260 1.00 0.00 H new ATOM 258 N VAL A 15 -0.795 -0.501 -8.220 1.00 0.00 N ATOM 259 CA VAL A 15 0.141 -0.387 -9.336 1.00 0.00 C ATOM 260 C VAL A 15 1.509 -0.916 -8.931 1.00 0.00 C ATOM 261 O VAL A 15 1.977 -0.651 -7.826 1.00 0.00 O ATOM 262 CB VAL A 15 0.303 1.071 -9.821 1.00 0.00 C ATOM 263 CG1 VAL A 15 0.603 1.103 -11.312 1.00 0.00 C ATOM 264 CG2 VAL A 15 -0.932 1.909 -9.505 1.00 0.00 C ATOM 0 H VAL A 15 -0.487 -0.038 -7.365 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.273 -0.978 -10.153 1.00 0.00 H new ATOM 0 HB VAL A 15 1.144 1.509 -9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.714 2.137 -11.639 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.527 0.559 -11.509 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.217 0.636 -11.858 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.781 2.928 -9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.801 1.477 -10.000 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.097 1.922 -8.428 1.00 0.00 H new ATOM 274 N ILE A 16 2.150 -1.665 -9.820 1.00 0.00 N ATOM 275 CA ILE A 16 3.468 -2.219 -9.526 1.00 0.00 C ATOM 276 C ILE A 16 4.572 -1.255 -9.945 1.00 0.00 C ATOM 277 O ILE A 16 4.664 -0.857 -11.106 1.00 0.00 O ATOM 278 CB ILE A 16 3.692 -3.590 -10.200 1.00 0.00 C ATOM 279 CG1 ILE A 16 2.676 -4.606 -9.668 1.00 0.00 C ATOM 280 CG2 ILE A 16 5.117 -4.083 -9.959 1.00 0.00 C ATOM 281 CD1 ILE A 16 2.977 -6.033 -10.069 1.00 0.00 C ATOM 0 H ILE A 16 1.784 -1.902 -10.742 1.00 0.00 H new ATOM 0 HA ILE A 16 3.508 -2.366 -8.447 1.00 0.00 H new ATOM 0 HB ILE A 16 3.549 -3.478 -11.275 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.647 -4.542 -8.580 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.683 -4.338 -10.030 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.254 -5.050 -10.442 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.825 -3.366 -10.375 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.291 -4.185 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.216 -6.695 -9.656 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.977 -6.113 -11.156 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.955 -6.321 -9.684 1.00 0.00 H new ATOM 293 N LEU A 17 5.416 -0.909 -8.986 1.00 0.00 N ATOM 294 CA LEU A 17 6.520 0.006 -9.220 1.00 0.00 C ATOM 295 C LEU A 17 7.851 -0.718 -9.230 1.00 0.00 C ATOM 296 O LEU A 17 8.041 -1.699 -8.510 1.00 0.00 O ATOM 297 CB LEU A 17 6.553 1.054 -8.122 1.00 0.00 C ATOM 298 CG LEU A 17 5.570 2.197 -8.307 1.00 0.00 C ATOM 299 CD1 LEU A 17 4.638 2.289 -7.117 1.00 0.00 C ATOM 300 CD2 LEU A 17 6.313 3.505 -8.512 1.00 0.00 C ATOM 0 H LEU A 17 5.355 -1.253 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 17 6.364 0.469 -10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.349 0.568 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.561 1.465 -8.061 1.00 0.00 H new ATOM 0 HG LEU A 17 4.970 2.002 -9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.940 3.113 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.083 1.356 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.220 2.464 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.595 4.315 -8.643 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.936 3.710 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.942 3.431 -9.399 1.00 0.00 H new ATOM 312 N ASN A 18 8.793 -0.191 -9.995 1.00 0.00 N ATOM 313 CA ASN A 18 10.140 -0.722 -9.985 1.00 0.00 C ATOM 314 C ASN A 18 10.846 -0.211 -8.740 1.00 0.00 C ATOM 315 O ASN A 18 10.642 0.936 -8.337 1.00 0.00 O ATOM 316 CB ASN A 18 10.903 -0.302 -11.242 1.00 0.00 C ATOM 317 CG ASN A 18 10.044 -0.367 -12.490 1.00 0.00 C ATOM 318 OD1 ASN A 18 9.792 0.649 -13.138 1.00 0.00 O ATOM 319 ND2 ASN A 18 9.590 -1.566 -12.835 1.00 0.00 N ATOM 0 H ASN A 18 8.649 0.598 -10.625 1.00 0.00 H new ATOM 0 HA ASN A 18 10.103 -1.811 -9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.277 0.714 -11.114 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.772 -0.948 -11.369 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.008 -1.671 -13.666 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.823 -2.382 -12.269 1.00 0.00 H new ATOM 326 N GLU A 19 11.650 -1.057 -8.109 1.00 0.00 N ATOM 327 CA GLU A 19 12.336 -0.669 -6.879 1.00 0.00 C ATOM 328 C GLU A 19 12.952 0.721 -7.008 1.00 0.00 C ATOM 329 O GLU A 19 12.998 1.477 -6.041 1.00 0.00 O ATOM 330 CB GLU A 19 13.404 -1.698 -6.522 1.00 0.00 C ATOM 331 CG GLU A 19 13.502 -1.962 -5.036 1.00 0.00 C ATOM 332 CD GLU A 19 13.148 -3.390 -4.671 1.00 0.00 C ATOM 333 OE1 GLU A 19 13.547 -4.311 -5.415 1.00 0.00 O ATOM 334 OE2 GLU A 19 12.472 -3.590 -3.639 1.00 0.00 O ATOM 0 H GLU A 19 11.843 -2.008 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 19 11.600 -0.635 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.185 -2.633 -7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.371 -1.351 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.516 -1.746 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.837 -1.280 -4.505 1.00 0.00 H new ATOM 341 N SER A 20 13.344 1.081 -8.226 1.00 0.00 N ATOM 342 CA SER A 20 13.898 2.403 -8.489 1.00 0.00 C ATOM 343 C SER A 20 12.789 3.453 -8.507 1.00 0.00 C ATOM 344 O SER A 20 12.866 4.467 -7.813 1.00 0.00 O ATOM 345 CB SER A 20 14.649 2.411 -9.822 1.00 0.00 C ATOM 346 OG SER A 20 14.930 3.734 -10.242 1.00 0.00 O ATOM 0 H SER A 20 13.288 0.476 -9.045 1.00 0.00 H new ATOM 0 HA SER A 20 14.598 2.647 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.580 1.853 -9.722 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.054 1.904 -10.581 1.00 0.00 H new ATOM 0 HG SER A 20 15.412 3.711 -11.095 1.00 0.00 H new ATOM 352 N GLU A 21 11.749 3.191 -9.298 1.00 0.00 N ATOM 353 CA GLU A 21 10.612 4.099 -9.394 1.00 0.00 C ATOM 354 C GLU A 21 9.952 4.272 -8.040 1.00 0.00 C ATOM 355 O GLU A 21 9.660 5.386 -7.614 1.00 0.00 O ATOM 356 CB GLU A 21 9.585 3.557 -10.390 1.00 0.00 C ATOM 357 CG GLU A 21 9.085 4.599 -11.375 1.00 0.00 C ATOM 358 CD GLU A 21 8.241 4.001 -12.483 1.00 0.00 C ATOM 359 OE1 GLU A 21 8.823 3.432 -13.431 1.00 0.00 O ATOM 360 OE2 GLU A 21 6.999 4.104 -12.405 1.00 0.00 O ATOM 0 H GLU A 21 11.673 2.357 -9.880 1.00 0.00 H new ATOM 0 HA GLU A 21 10.978 5.066 -9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.029 2.730 -10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.736 3.152 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.498 5.346 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.938 5.117 -11.813 1.00 0.00 H new ATOM 367 N ALA A 22 9.692 3.158 -7.381 1.00 0.00 N ATOM 368 CA ALA A 22 9.063 3.180 -6.074 1.00 0.00 C ATOM 369 C ALA A 22 9.992 3.792 -5.038 1.00 0.00 C ATOM 370 O ALA A 22 9.543 4.348 -4.036 1.00 0.00 O ATOM 371 CB ALA A 22 8.660 1.777 -5.671 1.00 0.00 C ATOM 0 H ALA A 22 9.907 2.224 -7.731 1.00 0.00 H new ATOM 0 HA ALA A 22 8.168 3.800 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.188 1.802 -4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.957 1.377 -6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.545 1.141 -5.633 1.00 0.00 H new ATOM 377 N LYS A 23 11.292 3.679 -5.283 1.00 0.00 N ATOM 378 CA LYS A 23 12.283 4.211 -4.363 1.00 0.00 C ATOM 379 C LYS A 23 12.136 5.718 -4.205 1.00 0.00 C ATOM 380 O LYS A 23 12.026 6.218 -3.085 1.00 0.00 O ATOM 381 CB LYS A 23 13.697 3.863 -4.829 1.00 0.00 C ATOM 382 CG LYS A 23 14.343 2.758 -4.007 1.00 0.00 C ATOM 383 CD LYS A 23 15.323 1.938 -4.833 1.00 0.00 C ATOM 384 CE LYS A 23 16.627 1.711 -4.085 1.00 0.00 C ATOM 385 NZ LYS A 23 17.553 0.822 -4.840 1.00 0.00 N ATOM 0 H LYS A 23 11.681 3.225 -6.109 1.00 0.00 H new ATOM 0 HA LYS A 23 12.112 3.749 -3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.663 3.557 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.320 4.756 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.863 3.196 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.569 2.103 -3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.874 0.977 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.526 2.450 -5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.112 2.670 -3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.415 1.271 -3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.430 0.692 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.100 -0.102 -4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.776 1.254 -5.759 1.00 0.00 H new ATOM 399 N ARG A 24 12.134 6.452 -5.319 1.00 0.00 N ATOM 400 CA ARG A 24 11.973 7.898 -5.239 1.00 0.00 C ATOM 401 C ARG A 24 10.614 8.240 -4.682 1.00 0.00 C ATOM 402 O ARG A 24 10.483 9.138 -3.865 1.00 0.00 O ATOM 403 CB ARG A 24 12.121 8.580 -6.594 1.00 0.00 C ATOM 404 CG ARG A 24 11.066 8.196 -7.586 1.00 0.00 C ATOM 405 CD ARG A 24 11.520 8.471 -9.008 1.00 0.00 C ATOM 406 NE ARG A 24 10.622 7.889 -10.000 1.00 0.00 N ATOM 407 CZ ARG A 24 9.462 8.437 -10.353 1.00 0.00 C ATOM 408 NH1 ARG A 24 9.062 9.567 -9.787 1.00 0.00 N ATOM 409 NH2 ARG A 24 8.701 7.855 -11.269 1.00 0.00 N ATOM 0 H ARG A 24 12.239 6.078 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 24 12.764 8.261 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.095 9.660 -6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.100 8.337 -7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.828 7.138 -7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.151 8.751 -7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.582 9.548 -9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.523 8.070 -9.150 1.00 0.00 H new ATOM 0 HE ARG A 24 10.898 7.015 -10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.644 10.017 -9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.173 9.986 -10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.004 6.984 -11.706 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.812 8.278 -11.537 1.00 0.00 H new ATOM 423 N VAL A 25 9.596 7.542 -5.159 1.00 0.00 N ATOM 424 CA VAL A 25 8.239 7.814 -4.724 1.00 0.00 C ATOM 425 C VAL A 25 8.139 7.765 -3.213 1.00 0.00 C ATOM 426 O VAL A 25 7.720 8.726 -2.591 1.00 0.00 O ATOM 427 CB VAL A 25 7.219 6.837 -5.324 1.00 0.00 C ATOM 428 CG1 VAL A 25 5.813 7.350 -5.057 1.00 0.00 C ATOM 429 CG2 VAL A 25 7.453 6.648 -6.815 1.00 0.00 C ATOM 0 H VAL A 25 9.684 6.789 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 25 8.000 8.815 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 25 7.341 5.863 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.086 6.658 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.653 7.429 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.691 8.331 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.716 5.951 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.357 7.608 -7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.454 6.250 -6.979 1.00 0.00 H new ATOM 439 N LEU A 26 8.568 6.660 -2.615 1.00 0.00 N ATOM 440 CA LEU A 26 8.525 6.528 -1.167 1.00 0.00 C ATOM 441 C LEU A 26 9.163 7.738 -0.492 1.00 0.00 C ATOM 442 O LEU A 26 8.560 8.363 0.381 1.00 0.00 O ATOM 443 CB LEU A 26 9.229 5.250 -0.729 1.00 0.00 C ATOM 444 CG LEU A 26 8.352 4.292 0.069 1.00 0.00 C ATOM 445 CD1 LEU A 26 8.872 2.876 -0.055 1.00 0.00 C ATOM 446 CD2 LEU A 26 8.292 4.715 1.524 1.00 0.00 C ATOM 0 H LEU A 26 8.946 5.850 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 26 7.480 6.476 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.601 4.733 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.098 5.516 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 26 7.341 4.324 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.236 2.203 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.864 2.576 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.891 2.828 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.662 4.020 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.297 4.710 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.874 5.719 1.594 1.00 0.00 H new ATOM 458 N LYS A 27 10.376 8.077 -0.917 1.00 0.00 N ATOM 459 CA LYS A 27 11.071 9.238 -0.374 1.00 0.00 C ATOM 460 C LYS A 27 10.309 10.508 -0.728 1.00 0.00 C ATOM 461 O LYS A 27 10.128 11.399 0.103 1.00 0.00 O ATOM 462 CB LYS A 27 12.499 9.312 -0.917 1.00 0.00 C ATOM 463 CG LYS A 27 13.271 8.009 -0.777 1.00 0.00 C ATOM 464 CD LYS A 27 13.643 7.737 0.670 1.00 0.00 C ATOM 465 CE LYS A 27 14.459 6.462 0.806 1.00 0.00 C ATOM 466 NZ LYS A 27 15.826 6.731 1.332 1.00 0.00 N ATOM 0 H LYS A 27 10.895 7.567 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 27 11.120 9.141 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.465 9.593 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.038 10.102 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.669 7.185 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.175 8.053 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.213 8.578 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.737 7.656 1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.943 5.770 1.472 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.533 5.973 -0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.350 5.836 1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.328 7.371 0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.756 7.174 2.270 1.00 0.00 H new ATOM 480 N GLU A 28 9.847 10.560 -1.969 1.00 0.00 N ATOM 481 CA GLU A 28 9.049 11.669 -2.462 1.00 0.00 C ATOM 482 C GLU A 28 7.809 11.836 -1.600 1.00 0.00 C ATOM 483 O GLU A 28 7.376 12.946 -1.293 1.00 0.00 O ATOM 484 CB GLU A 28 8.620 11.370 -3.897 1.00 0.00 C ATOM 485 CG GLU A 28 9.720 11.546 -4.926 1.00 0.00 C ATOM 486 CD GLU A 28 9.333 12.506 -6.033 1.00 0.00 C ATOM 487 OE1 GLU A 28 8.562 12.100 -6.929 1.00 0.00 O ATOM 488 OE2 GLU A 28 9.801 13.663 -6.006 1.00 0.00 O ATOM 0 H GLU A 28 10.016 9.832 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 28 9.639 12.585 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.251 10.345 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.786 12.022 -4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.620 11.911 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.965 10.577 -5.360 1.00 0.00 H new ATOM 495 N LEU A 29 7.252 10.696 -1.224 1.00 0.00 N ATOM 496 CA LEU A 29 6.047 10.627 -0.424 1.00 0.00 C ATOM 497 C LEU A 29 6.269 11.158 0.993 1.00 0.00 C ATOM 498 O LEU A 29 5.316 11.308 1.758 1.00 0.00 O ATOM 499 CB LEU A 29 5.574 9.182 -0.356 1.00 0.00 C ATOM 500 CG LEU A 29 5.023 8.580 -1.657 1.00 0.00 C ATOM 501 CD1 LEU A 29 3.811 7.709 -1.366 1.00 0.00 C ATOM 502 CD2 LEU A 29 4.686 9.628 -2.710 1.00 0.00 C ATOM 0 H LEU A 29 7.632 9.782 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 29 5.292 11.255 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.408 8.565 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.799 9.112 0.407 1.00 0.00 H new ATOM 0 HG LEU A 29 5.820 7.967 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.432 7.290 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.097 6.900 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.034 8.312 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.302 9.136 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.930 10.308 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.584 10.191 -2.964 1.00 0.00 H new ATOM 514 N ASP A 30 7.536 11.405 1.350 1.00 0.00 N ATOM 515 CA ASP A 30 7.901 11.864 2.692 1.00 0.00 C ATOM 516 C ASP A 30 8.027 10.675 3.639 1.00 0.00 C ATOM 517 O ASP A 30 7.568 10.721 4.780 1.00 0.00 O ATOM 518 CB ASP A 30 6.881 12.871 3.236 1.00 0.00 C ATOM 519 CG ASP A 30 7.435 13.697 4.381 1.00 0.00 C ATOM 520 OD1 ASP A 30 8.596 14.145 4.283 1.00 0.00 O ATOM 521 OD2 ASP A 30 6.706 13.895 5.376 1.00 0.00 O ATOM 0 H ASP A 30 8.330 11.293 0.720 1.00 0.00 H new ATOM 0 HA ASP A 30 8.864 12.369 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.567 13.536 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.993 12.337 3.574 1.00 0.00 H new ATOM 526 N ALA A 31 8.652 9.608 3.145 1.00 0.00 N ATOM 527 CA ALA A 31 8.840 8.392 3.929 1.00 0.00 C ATOM 528 C ALA A 31 9.830 7.454 3.244 1.00 0.00 C ATOM 529 O ALA A 31 10.137 7.616 2.065 1.00 0.00 O ATOM 530 CB ALA A 31 7.508 7.688 4.135 1.00 0.00 C ATOM 0 H ALA A 31 9.038 9.562 2.202 1.00 0.00 H new ATOM 0 HA ALA A 31 9.247 8.671 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.662 6.782 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.824 8.351 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.082 7.425 3.167 1.00 0.00 H new ATOM 536 N HIS A 32 10.319 6.465 3.986 1.00 0.00 N ATOM 537 CA HIS A 32 11.253 5.491 3.433 1.00 0.00 C ATOM 538 C HIS A 32 10.680 4.084 3.523 1.00 0.00 C ATOM 539 O HIS A 32 9.929 3.767 4.443 1.00 0.00 O ATOM 540 CB HIS A 32 12.602 5.544 4.149 1.00 0.00 C ATOM 541 CG HIS A 32 12.942 6.888 4.718 1.00 0.00 C ATOM 542 ND1 HIS A 32 13.170 7.101 6.062 1.00 0.00 N ATOM 543 CD2 HIS A 32 13.092 8.093 4.118 1.00 0.00 C ATOM 544 CE1 HIS A 32 13.446 8.378 6.263 1.00 0.00 C ATOM 545 NE2 HIS A 32 13.404 8.999 5.100 1.00 0.00 N ATOM 0 H HIS A 32 10.085 6.317 4.968 1.00 0.00 H new ATOM 0 HA HIS A 32 11.408 5.748 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.602 4.810 4.955 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.384 5.250 3.449 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.986 8.302 3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.668 8.835 7.216 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.576 9.994 4.954 1.00 0.00 H new ATOM 554 N PRO A 33 11.030 3.217 2.562 1.00 0.00 N ATOM 555 CA PRO A 33 10.527 1.848 2.517 1.00 0.00 C ATOM 556 C PRO A 33 10.790 1.092 3.814 1.00 0.00 C ATOM 557 O PRO A 33 10.074 0.149 4.147 1.00 0.00 O ATOM 558 CB PRO A 33 11.281 1.210 1.343 1.00 0.00 C ATOM 559 CG PRO A 33 12.401 2.142 1.032 1.00 0.00 C ATOM 560 CD PRO A 33 11.931 3.505 1.441 1.00 0.00 C ATOM 0 HA PRO A 33 9.445 1.820 2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.656 0.222 1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.627 1.082 0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.304 1.862 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.646 2.116 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.760 4.145 1.743 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.414 4.015 0.628 1.00 0.00 H new ATOM 568 N GLU A 34 11.805 1.525 4.552 1.00 0.00 N ATOM 569 CA GLU A 34 12.129 0.905 5.830 1.00 0.00 C ATOM 570 C GLU A 34 11.038 1.203 6.852 1.00 0.00 C ATOM 571 O GLU A 34 10.807 0.424 7.779 1.00 0.00 O ATOM 572 CB GLU A 34 13.478 1.411 6.346 1.00 0.00 C ATOM 573 CG GLU A 34 14.497 1.661 5.245 1.00 0.00 C ATOM 574 CD GLU A 34 14.604 0.501 4.273 1.00 0.00 C ATOM 575 OE1 GLU A 34 15.363 -0.447 4.563 1.00 0.00 O ATOM 576 OE2 GLU A 34 13.931 0.544 3.223 1.00 0.00 O ATOM 0 H GLU A 34 12.415 2.299 4.289 1.00 0.00 H new ATOM 0 HA GLU A 34 12.193 -0.173 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.321 2.336 6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.885 0.683 7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.222 2.563 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.473 1.845 5.694 1.00 0.00 H new ATOM 583 N GLN A 35 10.362 2.332 6.666 1.00 0.00 N ATOM 584 CA GLN A 35 9.285 2.740 7.557 1.00 0.00 C ATOM 585 C GLN A 35 7.963 2.125 7.123 1.00 0.00 C ATOM 586 O GLN A 35 7.292 1.445 7.899 1.00 0.00 O ATOM 587 CB GLN A 35 9.173 4.266 7.577 1.00 0.00 C ATOM 588 CG GLN A 35 10.402 4.958 8.145 1.00 0.00 C ATOM 589 CD GLN A 35 10.392 5.013 9.660 1.00 0.00 C ATOM 590 OE1 GLN A 35 9.736 5.867 10.257 1.00 0.00 O ATOM 591 NE2 GLN A 35 11.121 4.099 10.290 1.00 0.00 N ATOM 0 H GLN A 35 10.543 2.983 5.902 1.00 0.00 H new ATOM 0 HA GLN A 35 9.515 2.385 8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.002 4.623 6.561 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.301 4.551 8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.297 4.434 7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.459 5.972 7.749 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.649 3.410 9.754 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.153 4.086 11.309 1.00 0.00 H new ATOM 600 N LEU A 36 7.609 2.357 5.868 1.00 0.00 N ATOM 601 CA LEU A 36 6.381 1.831 5.299 1.00 0.00 C ATOM 602 C LEU A 36 6.214 0.347 5.614 1.00 0.00 C ATOM 603 O LEU A 36 7.192 -0.361 5.849 1.00 0.00 O ATOM 604 CB LEU A 36 6.386 2.033 3.785 1.00 0.00 C ATOM 605 CG LEU A 36 6.072 3.454 3.315 1.00 0.00 C ATOM 606 CD1 LEU A 36 4.610 3.759 3.498 1.00 0.00 C ATOM 607 CD2 LEU A 36 6.892 4.482 4.071 1.00 0.00 C ATOM 0 H LEU A 36 8.164 2.914 5.218 1.00 0.00 H new ATOM 0 HA LEU A 36 5.545 2.371 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.365 1.749 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.659 1.352 3.342 1.00 0.00 H new ATOM 0 HG LEU A 36 6.329 3.510 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.405 4.774 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.016 3.055 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.349 3.669 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.644 5.481 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.669 4.413 5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.953 4.291 3.909 1.00 0.00 H new ATOM 619 N PRO A 37 4.965 -0.147 5.599 1.00 0.00 N ATOM 620 CA PRO A 37 4.675 -1.553 5.873 1.00 0.00 C ATOM 621 C PRO A 37 5.040 -2.458 4.700 1.00 0.00 C ATOM 622 O PRO A 37 4.812 -2.111 3.541 1.00 0.00 O ATOM 623 CB PRO A 37 3.165 -1.567 6.107 1.00 0.00 C ATOM 624 CG PRO A 37 2.639 -0.388 5.364 1.00 0.00 C ATOM 625 CD PRO A 37 3.744 0.632 5.322 1.00 0.00 C ATOM 0 HA PRO A 37 5.253 -1.931 6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.719 -2.492 5.742 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.931 -1.498 7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.336 -0.671 4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.757 0.018 5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.796 1.123 4.350 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.593 1.414 6.066 1.00 0.00 H new ATOM 633 N LYS A 38 5.610 -3.618 5.010 1.00 0.00 N ATOM 634 CA LYS A 38 6.006 -4.573 3.980 1.00 0.00 C ATOM 635 C LYS A 38 5.333 -5.918 4.200 1.00 0.00 C ATOM 636 O LYS A 38 5.375 -6.473 5.298 1.00 0.00 O ATOM 637 CB LYS A 38 7.528 -4.757 3.962 1.00 0.00 C ATOM 638 CG LYS A 38 8.311 -3.538 4.424 1.00 0.00 C ATOM 639 CD LYS A 38 8.412 -2.493 3.327 1.00 0.00 C ATOM 640 CE LYS A 38 9.836 -2.362 2.813 1.00 0.00 C ATOM 641 NZ LYS A 38 10.820 -2.253 3.925 1.00 0.00 N ATOM 0 H LYS A 38 5.808 -3.919 5.964 1.00 0.00 H new ATOM 0 HA LYS A 38 5.687 -4.171 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.787 -5.603 4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.840 -5.012 2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.827 -3.103 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.312 -3.842 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.750 -2.763 2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.071 -1.530 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.080 -3.227 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.912 -1.482 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.773 -2.114 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.573 -1.443 4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.802 -3.125 4.491 1.00 0.00 H new ATOM 655 N ILE A 39 4.719 -6.442 3.147 1.00 0.00 N ATOM 656 CA ILE A 39 4.058 -7.732 3.219 1.00 0.00 C ATOM 657 C ILE A 39 4.888 -8.804 2.526 1.00 0.00 C ATOM 658 O ILE A 39 5.408 -8.591 1.430 1.00 0.00 O ATOM 659 CB ILE A 39 2.650 -7.682 2.613 1.00 0.00 C ATOM 660 CG1 ILE A 39 1.867 -6.506 3.196 1.00 0.00 C ATOM 661 CG2 ILE A 39 1.918 -8.987 2.873 1.00 0.00 C ATOM 662 CD1 ILE A 39 1.883 -6.466 4.709 1.00 0.00 C ATOM 0 H ILE A 39 4.667 -5.991 2.234 1.00 0.00 H new ATOM 0 HA ILE A 39 3.961 -7.987 4.274 1.00 0.00 H new ATOM 0 HB ILE A 39 2.737 -7.543 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.283 -5.575 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.834 -6.560 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.920 -8.937 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.471 -9.811 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.837 -9.151 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.309 -5.607 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.440 -7.381 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.911 -6.381 5.060 1.00 0.00 H new ATOM 674 N LYS A 40 5.049 -9.940 3.193 1.00 0.00 N ATOM 675 CA LYS A 40 5.854 -11.032 2.665 1.00 0.00 C ATOM 676 C LYS A 40 5.315 -11.534 1.334 1.00 0.00 C ATOM 677 O LYS A 40 4.122 -11.429 1.055 1.00 0.00 O ATOM 678 CB LYS A 40 5.898 -12.183 3.667 1.00 0.00 C ATOM 679 CG LYS A 40 6.408 -11.768 5.033 1.00 0.00 C ATOM 680 CD LYS A 40 7.910 -11.531 5.013 1.00 0.00 C ATOM 681 CE LYS A 40 8.641 -12.518 5.909 1.00 0.00 C ATOM 682 NZ LYS A 40 9.253 -11.848 7.091 1.00 0.00 N ATOM 0 H LYS A 40 4.631 -10.129 4.104 1.00 0.00 H new ATOM 0 HA LYS A 40 6.861 -10.649 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.898 -12.603 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.536 -12.974 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.898 -10.859 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.169 -12.541 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.280 -11.622 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.123 -10.513 5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.945 -13.286 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.418 -13.023 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.742 -12.555 7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.936 -11.133 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.509 -11.388 7.653 1.00 0.00 H new ATOM 696 N THR A 41 6.203 -12.097 0.522 1.00 0.00 N ATOM 697 CA THR A 41 5.810 -12.644 -0.768 1.00 0.00 C ATOM 698 C THR A 41 4.868 -13.831 -0.579 1.00 0.00 C ATOM 699 O THR A 41 4.074 -14.154 -1.463 1.00 0.00 O ATOM 700 CB THR A 41 7.043 -13.058 -1.571 1.00 0.00 C ATOM 701 OG1 THR A 41 7.864 -13.933 -0.815 1.00 0.00 O ATOM 702 CG2 THR A 41 7.891 -11.884 -2.006 1.00 0.00 C ATOM 0 H THR A 41 7.197 -12.186 0.735 1.00 0.00 H new ATOM 0 HA THR A 41 5.281 -11.871 -1.326 1.00 0.00 H new ATOM 0 HB THR A 41 6.658 -13.555 -2.461 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.806 -13.701 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.750 -12.245 -2.571 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.297 -11.219 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.238 -11.340 -1.127 1.00 0.00 H new ATOM 710 N THR A 42 4.945 -14.466 0.589 1.00 0.00 N ATOM 711 CA THR A 42 4.055 -15.574 0.913 1.00 0.00 C ATOM 712 C THR A 42 2.651 -15.043 1.176 1.00 0.00 C ATOM 713 O THR A 42 1.655 -15.713 0.904 1.00 0.00 O ATOM 714 CB THR A 42 4.571 -16.335 2.135 1.00 0.00 C ATOM 715 OG1 THR A 42 5.193 -15.451 3.050 1.00 0.00 O ATOM 716 CG2 THR A 42 5.569 -17.418 1.790 1.00 0.00 C ATOM 0 H THR A 42 5.613 -14.232 1.323 1.00 0.00 H new ATOM 0 HA THR A 42 4.025 -16.262 0.069 1.00 0.00 H new ATOM 0 HB THR A 42 3.691 -16.804 2.575 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.515 -15.956 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.894 -17.918 2.703 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.102 -18.145 1.125 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.431 -16.973 1.293 1.00 0.00 H new ATOM 724 N ASP A 43 2.590 -13.808 1.668 1.00 0.00 N ATOM 725 CA ASP A 43 1.324 -13.138 1.936 1.00 0.00 C ATOM 726 C ASP A 43 0.628 -12.764 0.632 1.00 0.00 C ATOM 727 O ASP A 43 1.265 -12.676 -0.418 1.00 0.00 O ATOM 728 CB ASP A 43 1.550 -11.886 2.786 1.00 0.00 C ATOM 729 CG ASP A 43 1.692 -12.206 4.261 1.00 0.00 C ATOM 730 OD1 ASP A 43 2.498 -13.098 4.600 1.00 0.00 O ATOM 731 OD2 ASP A 43 0.997 -11.564 5.076 1.00 0.00 O ATOM 0 H ASP A 43 3.413 -13.248 1.890 1.00 0.00 H new ATOM 0 HA ASP A 43 0.685 -13.827 2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.447 -11.373 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.716 -11.199 2.645 1.00 0.00 H new ATOM 736 N PRO A 44 -0.707 -12.632 0.666 1.00 0.00 N ATOM 737 CA PRO A 44 -1.508 -12.277 -0.512 1.00 0.00 C ATOM 738 C PRO A 44 -0.937 -11.092 -1.279 1.00 0.00 C ATOM 739 O PRO A 44 -1.212 -10.925 -2.466 1.00 0.00 O ATOM 740 CB PRO A 44 -2.887 -11.932 0.065 1.00 0.00 C ATOM 741 CG PRO A 44 -2.682 -11.806 1.538 1.00 0.00 C ATOM 742 CD PRO A 44 -1.534 -12.713 1.874 1.00 0.00 C ATOM 0 HA PRO A 44 -1.531 -13.093 -1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.269 -11.003 -0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.615 -12.710 -0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.459 -10.775 1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.580 -12.095 2.083 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.995 -12.376 2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.866 -13.732 2.072 1.00 0.00 H new ATOM 750 N VAL A 45 -0.091 -10.307 -0.622 1.00 0.00 N ATOM 751 CA VAL A 45 0.513 -9.150 -1.264 1.00 0.00 C ATOM 752 C VAL A 45 1.147 -9.544 -2.598 1.00 0.00 C ATOM 753 O VAL A 45 0.981 -8.857 -3.605 1.00 0.00 O ATOM 754 CB VAL A 45 1.587 -8.497 -0.362 1.00 0.00 C ATOM 755 CG1 VAL A 45 2.824 -9.380 -0.262 1.00 0.00 C ATOM 756 CG2 VAL A 45 1.952 -7.114 -0.881 1.00 0.00 C ATOM 0 H VAL A 45 0.190 -10.451 0.348 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.283 -8.426 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 45 1.170 -8.389 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.564 -8.899 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.549 -10.345 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.246 -9.529 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.709 -6.670 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.345 -7.198 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.064 -6.482 -0.887 1.00 0.00 H new ATOM 766 N ALA A 46 1.874 -10.656 -2.588 1.00 0.00 N ATOM 767 CA ALA A 46 2.518 -11.160 -3.792 1.00 0.00 C ATOM 768 C ALA A 46 1.483 -11.719 -4.757 1.00 0.00 C ATOM 769 O ALA A 46 1.463 -11.366 -5.937 1.00 0.00 O ATOM 770 CB ALA A 46 3.546 -12.220 -3.439 1.00 0.00 C ATOM 0 H ALA A 46 2.031 -11.226 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 46 3.031 -10.332 -4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.018 -12.587 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.304 -11.788 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.054 -13.047 -2.927 1.00 0.00 H new ATOM 776 N LYS A 47 0.605 -12.580 -4.244 1.00 0.00 N ATOM 777 CA LYS A 47 -0.461 -13.154 -5.056 1.00 0.00 C ATOM 778 C LYS A 47 -1.224 -12.044 -5.765 1.00 0.00 C ATOM 779 O LYS A 47 -1.689 -12.210 -6.892 1.00 0.00 O ATOM 780 CB LYS A 47 -1.412 -13.980 -4.188 1.00 0.00 C ATOM 781 CG LYS A 47 -1.029 -15.447 -4.093 1.00 0.00 C ATOM 782 CD LYS A 47 -1.466 -16.054 -2.770 1.00 0.00 C ATOM 783 CE LYS A 47 -0.352 -16.002 -1.738 1.00 0.00 C ATOM 784 NZ LYS A 47 0.556 -17.178 -1.841 1.00 0.00 N ATOM 0 H LYS A 47 0.613 -12.893 -3.273 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.018 -13.814 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.438 -13.554 -3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.421 -13.902 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.486 -15.997 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.051 -15.550 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.338 -15.519 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.770 -17.089 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.224 -15.086 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.785 -15.964 -0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.302 -17.105 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.012 -18.051 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.989 -17.200 -2.786 1.00 0.00 H new ATOM 798 N ALA A 48 -1.319 -10.900 -5.096 1.00 0.00 N ATOM 799 CA ALA A 48 -1.964 -9.733 -5.667 1.00 0.00 C ATOM 800 C ALA A 48 -1.024 -9.058 -6.655 1.00 0.00 C ATOM 801 O ALA A 48 0.189 -9.040 -6.454 1.00 0.00 O ATOM 802 CB ALA A 48 -2.380 -8.764 -4.572 1.00 0.00 C ATOM 0 H ALA A 48 -0.954 -10.760 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.863 -10.048 -6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.862 -7.895 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.077 -9.258 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.499 -8.444 -4.015 1.00 0.00 H new ATOM 808 N ILE A 49 -1.586 -8.539 -7.739 1.00 0.00 N ATOM 809 CA ILE A 49 -0.794 -7.897 -8.789 1.00 0.00 C ATOM 810 C ILE A 49 0.456 -8.713 -9.123 1.00 0.00 C ATOM 811 O ILE A 49 1.467 -8.166 -9.557 1.00 0.00 O ATOM 812 CB ILE A 49 -0.382 -6.455 -8.414 1.00 0.00 C ATOM 813 CG1 ILE A 49 0.606 -6.447 -7.232 1.00 0.00 C ATOM 814 CG2 ILE A 49 -1.619 -5.613 -8.115 1.00 0.00 C ATOM 815 CD1 ILE A 49 -0.043 -6.442 -5.861 1.00 0.00 C ATOM 0 H ILE A 49 -2.590 -8.549 -7.918 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.437 -7.850 -9.668 1.00 0.00 H new ATOM 0 HB ILE A 49 0.133 -6.011 -9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.251 -7.322 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.247 -5.570 -7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.315 -4.600 -7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.260 -5.582 -8.996 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.167 -6.054 -7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.730 -6.437 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.665 -5.553 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.661 -7.333 -5.748 1.00 0.00 H new ATOM 827 N GLY A 50 0.378 -10.026 -8.911 1.00 0.00 N ATOM 828 CA GLY A 50 1.497 -10.909 -9.207 1.00 0.00 C ATOM 829 C GLY A 50 2.847 -10.326 -8.827 1.00 0.00 C ATOM 830 O GLY A 50 3.845 -10.565 -9.509 1.00 0.00 O ATOM 0 H GLY A 50 -0.446 -10.497 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.355 -11.851 -8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.496 -11.138 -10.273 1.00 0.00 H new ATOM 834 N ALA A 51 2.884 -9.557 -7.743 1.00 0.00 N ATOM 835 CA ALA A 51 4.131 -8.945 -7.292 1.00 0.00 C ATOM 836 C ALA A 51 5.174 -10.002 -6.969 1.00 0.00 C ATOM 837 O ALA A 51 4.845 -11.154 -6.691 1.00 0.00 O ATOM 838 CB ALA A 51 3.898 -8.060 -6.076 1.00 0.00 C ATOM 0 H ALA A 51 2.072 -9.343 -7.164 1.00 0.00 H new ATOM 0 HA ALA A 51 4.503 -8.326 -8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.843 -7.617 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.194 -7.268 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.490 -8.660 -5.262 1.00 0.00 H new ATOM 844 N LYS A 52 6.432 -9.591 -6.995 1.00 0.00 N ATOM 845 CA LYS A 52 7.533 -10.491 -6.696 1.00 0.00 C ATOM 846 C LYS A 52 8.420 -9.912 -5.602 1.00 0.00 C ATOM 847 O LYS A 52 8.361 -8.719 -5.305 1.00 0.00 O ATOM 848 CB LYS A 52 8.350 -10.776 -7.958 1.00 0.00 C ATOM 849 CG LYS A 52 9.301 -9.657 -8.351 1.00 0.00 C ATOM 850 CD LYS A 52 10.291 -10.117 -9.407 1.00 0.00 C ATOM 851 CE LYS A 52 10.384 -9.126 -10.556 1.00 0.00 C ATOM 852 NZ LYS A 52 11.480 -9.475 -11.501 1.00 0.00 N ATOM 0 H LYS A 52 6.716 -8.638 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 52 7.118 -11.432 -6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.925 -11.690 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.666 -10.963 -8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.731 -8.809 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.841 -9.310 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.274 -10.243 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.989 -11.092 -9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.436 -9.102 -11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.551 -8.125 -10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.511 -8.776 -12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.389 -9.473 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.307 -10.420 -11.899 1.00 0.00 H new ATOM 866 N ARG A 53 9.223 -10.770 -4.990 1.00 0.00 N ATOM 867 CA ARG A 53 10.122 -10.342 -3.929 1.00 0.00 C ATOM 868 C ARG A 53 11.006 -9.193 -4.403 1.00 0.00 C ATOM 869 O ARG A 53 12.014 -9.408 -5.077 1.00 0.00 O ATOM 870 CB ARG A 53 10.984 -11.516 -3.465 1.00 0.00 C ATOM 871 CG ARG A 53 11.428 -11.412 -2.017 1.00 0.00 C ATOM 872 CD ARG A 53 12.630 -10.493 -1.874 1.00 0.00 C ATOM 873 NE ARG A 53 13.886 -11.188 -2.136 1.00 0.00 N ATOM 874 CZ ARG A 53 15.025 -10.567 -2.427 1.00 0.00 C ATOM 875 NH1 ARG A 53 15.061 -9.243 -2.494 1.00 0.00 N ATOM 876 NH2 ARG A 53 16.127 -11.269 -2.654 1.00 0.00 N ATOM 0 H ARG A 53 9.270 -11.765 -5.210 1.00 0.00 H new ATOM 0 HA ARG A 53 9.523 -9.990 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.424 -12.442 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.866 -11.582 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.606 -11.036 -1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.678 -12.403 -1.639 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.529 -9.655 -2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.650 -10.077 -0.867 1.00 0.00 H new ATOM 0 HE ARG A 53 13.890 -12.207 -2.094 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.215 -8.700 -2.322 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.935 -8.767 -2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.102 -12.288 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.000 -10.790 -2.877 1.00 0.00 H new ATOM 890 N GLY A 54 10.616 -7.972 -4.052 1.00 0.00 N ATOM 891 CA GLY A 54 11.382 -6.805 -4.447 1.00 0.00 C ATOM 892 C GLY A 54 10.576 -5.825 -5.281 1.00 0.00 C ATOM 893 O GLY A 54 11.140 -4.937 -5.919 1.00 0.00 O ATOM 0 H GLY A 54 9.782 -7.770 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.750 -6.299 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.256 -7.125 -5.015 1.00 0.00 H new ATOM 897 N ASP A 55 9.253 -5.980 -5.273 1.00 0.00 N ATOM 898 CA ASP A 55 8.380 -5.100 -6.037 1.00 0.00 C ATOM 899 C ASP A 55 7.475 -4.294 -5.113 1.00 0.00 C ATOM 900 O ASP A 55 6.784 -4.855 -4.262 1.00 0.00 O ATOM 901 CB ASP A 55 7.522 -5.922 -7.004 1.00 0.00 C ATOM 902 CG ASP A 55 7.893 -5.683 -8.455 1.00 0.00 C ATOM 903 OD1 ASP A 55 8.315 -4.553 -8.782 1.00 0.00 O ATOM 904 OD2 ASP A 55 7.762 -6.625 -9.264 1.00 0.00 O ATOM 0 H ASP A 55 8.766 -6.706 -4.747 1.00 0.00 H new ATOM 0 HA ASP A 55 9.006 -4.409 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.634 -6.981 -6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.471 -5.672 -6.855 1.00 0.00 H new ATOM 909 N ILE A 56 7.469 -2.976 -5.293 1.00 0.00 N ATOM 910 CA ILE A 56 6.623 -2.106 -4.485 1.00 0.00 C ATOM 911 C ILE A 56 5.325 -1.783 -5.224 1.00 0.00 C ATOM 912 O ILE A 56 5.317 -1.628 -6.445 1.00 0.00 O ATOM 913 CB ILE A 56 7.346 -0.793 -4.107 1.00 0.00 C ATOM 914 CG1 ILE A 56 8.563 -1.087 -3.228 1.00 0.00 C ATOM 915 CG2 ILE A 56 6.399 0.168 -3.392 1.00 0.00 C ATOM 916 CD1 ILE A 56 9.883 -0.765 -3.894 1.00 0.00 C ATOM 0 H ILE A 56 8.037 -2.490 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 56 6.393 -2.644 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 56 7.683 -0.317 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.482 -0.513 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.554 -2.141 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.933 1.083 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.561 0.407 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.026 -0.300 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.701 -0.999 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.987 -1.359 -4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.914 0.295 -4.148 1.00 0.00 H new ATOM 928 N VAL A 57 4.231 -1.692 -4.476 1.00 0.00 N ATOM 929 CA VAL A 57 2.929 -1.408 -5.065 1.00 0.00 C ATOM 930 C VAL A 57 2.438 -0.008 -4.708 1.00 0.00 C ATOM 931 O VAL A 57 2.655 0.475 -3.597 1.00 0.00 O ATOM 932 CB VAL A 57 1.873 -2.438 -4.631 1.00 0.00 C ATOM 933 CG1 VAL A 57 1.627 -2.361 -3.133 1.00 0.00 C ATOM 934 CG2 VAL A 57 0.582 -2.231 -5.408 1.00 0.00 C ATOM 0 H VAL A 57 4.220 -1.811 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 57 3.064 -1.470 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 57 2.250 -3.436 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.876 -3.099 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.556 -2.565 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.272 -1.364 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.156 -2.967 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.200 -1.228 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.776 -2.349 -6.474 1.00 0.00 H new ATOM 944 N LYS A 58 1.786 0.643 -5.668 1.00 0.00 N ATOM 945 CA LYS A 58 1.274 1.994 -5.469 1.00 0.00 C ATOM 946 C LYS A 58 -0.244 1.978 -5.267 1.00 0.00 C ATOM 947 O LYS A 58 -1.000 1.587 -6.158 1.00 0.00 O ATOM 948 CB LYS A 58 1.696 2.883 -6.664 1.00 0.00 C ATOM 949 CG LYS A 58 0.604 3.744 -7.291 1.00 0.00 C ATOM 950 CD LYS A 58 0.161 4.864 -6.367 1.00 0.00 C ATOM 951 CE LYS A 58 0.912 6.158 -6.638 1.00 0.00 C ATOM 952 NZ LYS A 58 0.104 7.106 -7.453 1.00 0.00 N ATOM 0 H LYS A 58 1.600 0.255 -6.593 1.00 0.00 H new ATOM 0 HA LYS A 58 1.704 2.418 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.500 3.540 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.109 2.238 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.970 4.169 -8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.253 3.118 -7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.909 5.033 -6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.319 4.563 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.179 6.628 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.844 5.935 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.737 7.773 -7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.447 6.576 -8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.543 7.633 -6.832 1.00 0.00 H new ATOM 966 N ILE A 59 -0.676 2.409 -4.087 1.00 0.00 N ATOM 967 CA ILE A 59 -2.095 2.481 -3.765 1.00 0.00 C ATOM 968 C ILE A 59 -2.511 3.928 -3.525 1.00 0.00 C ATOM 969 O ILE A 59 -1.802 4.680 -2.860 1.00 0.00 O ATOM 970 CB ILE A 59 -2.439 1.646 -2.518 1.00 0.00 C ATOM 971 CG1 ILE A 59 -1.867 0.234 -2.648 1.00 0.00 C ATOM 972 CG2 ILE A 59 -3.945 1.595 -2.311 1.00 0.00 C ATOM 973 CD1 ILE A 59 -0.449 0.106 -2.133 1.00 0.00 C ATOM 0 H ILE A 59 -0.059 2.715 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.640 2.073 -4.616 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.988 2.122 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.507 -0.460 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.893 -0.065 -3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.171 1.001 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.328 2.607 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.417 1.141 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.108 -0.922 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.204 0.775 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.420 0.373 -1.077 1.00 0.00 H new ATOM 985 N ILE A 60 -3.653 4.319 -4.079 1.00 0.00 N ATOM 986 CA ILE A 60 -4.139 5.685 -3.926 1.00 0.00 C ATOM 987 C ILE A 60 -5.502 5.716 -3.248 1.00 0.00 C ATOM 988 O ILE A 60 -6.355 4.866 -3.501 1.00 0.00 O ATOM 989 CB ILE A 60 -4.243 6.400 -5.285 1.00 0.00 C ATOM 990 CG1 ILE A 60 -2.939 6.220 -6.060 1.00 0.00 C ATOM 991 CG2 ILE A 60 -4.559 7.877 -5.088 1.00 0.00 C ATOM 992 CD1 ILE A 60 -3.115 5.485 -7.372 1.00 0.00 C ATOM 0 H ILE A 60 -4.257 3.713 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.414 6.206 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.057 5.959 -5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.504 7.200 -6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.228 5.674 -5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.629 8.367 -6.059 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.508 7.979 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.767 8.344 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.150 5.393 -7.870 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.521 4.492 -7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.801 6.041 -8.011 1.00 0.00 H new ATOM 1004 N ARG A 61 -5.700 6.709 -2.392 1.00 0.00 N ATOM 1005 CA ARG A 61 -6.960 6.873 -1.686 1.00 0.00 C ATOM 1006 C ARG A 61 -7.527 8.261 -1.939 1.00 0.00 C ATOM 1007 O ARG A 61 -6.869 9.268 -1.684 1.00 0.00 O ATOM 1008 CB ARG A 61 -6.758 6.655 -0.186 1.00 0.00 C ATOM 1009 CG ARG A 61 -6.606 5.194 0.204 1.00 0.00 C ATOM 1010 CD ARG A 61 -5.492 5.002 1.219 1.00 0.00 C ATOM 1011 NE ARG A 61 -5.797 3.942 2.175 1.00 0.00 N ATOM 1012 CZ ARG A 61 -4.964 3.556 3.136 1.00 0.00 C ATOM 1013 NH1 ARG A 61 -3.781 4.141 3.266 1.00 0.00 N ATOM 1014 NH2 ARG A 61 -5.314 2.584 3.968 1.00 0.00 N ATOM 0 H ARG A 61 -4.999 7.416 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.667 6.131 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.872 7.202 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.606 7.079 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.545 4.827 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.396 4.599 -0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.565 4.764 0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.326 5.936 1.755 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.699 3.472 2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.509 4.889 2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.143 3.843 4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.223 2.132 3.871 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.674 2.289 4.705 1.00 0.00 H new ATOM 1028 N LYS A 62 -8.750 8.312 -2.446 1.00 0.00 N ATOM 1029 CA LYS A 62 -9.388 9.580 -2.749 1.00 0.00 C ATOM 1030 C LYS A 62 -10.057 10.162 -1.510 1.00 0.00 C ATOM 1031 O LYS A 62 -11.065 9.643 -1.030 1.00 0.00 O ATOM 1032 CB LYS A 62 -10.408 9.393 -3.869 1.00 0.00 C ATOM 1033 CG LYS A 62 -9.874 8.572 -5.032 1.00 0.00 C ATOM 1034 CD LYS A 62 -10.619 7.254 -5.176 1.00 0.00 C ATOM 1035 CE LYS A 62 -9.675 6.119 -5.537 1.00 0.00 C ATOM 1036 NZ LYS A 62 -9.835 4.953 -4.625 1.00 0.00 N ATOM 0 H LYS A 62 -9.318 7.491 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.623 10.283 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.296 8.906 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.720 10.371 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.965 9.145 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.812 8.376 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.131 7.020 -4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.386 7.350 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.861 5.805 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.646 6.475 -5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.903 4.533 -4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.265 5.267 -3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.448 4.243 -5.074 1.00 0.00 H new ATOM 1050 N SER A 63 -9.489 11.251 -1.007 1.00 0.00 N ATOM 1051 CA SER A 63 -10.011 11.915 0.177 1.00 0.00 C ATOM 1052 C SER A 63 -10.872 13.115 -0.209 1.00 0.00 C ATOM 1053 O SER A 63 -10.997 13.440 -1.389 1.00 0.00 O ATOM 1054 CB SER A 63 -8.854 12.359 1.071 1.00 0.00 C ATOM 1055 OG SER A 63 -7.627 12.349 0.364 1.00 0.00 O ATOM 0 H SER A 63 -8.661 11.694 -1.405 1.00 0.00 H new ATOM 0 HA SER A 63 -10.638 11.211 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.049 13.362 1.452 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.784 11.698 1.935 1.00 0.00 H new ATOM 0 HG SER A 63 -7.696 12.935 -0.419 1.00 0.00 H new ATOM 1061 N PRO A 64 -11.460 13.806 0.782 1.00 0.00 N ATOM 1062 CA PRO A 64 -12.317 14.969 0.528 1.00 0.00 C ATOM 1063 C PRO A 64 -11.570 16.075 -0.210 1.00 0.00 C ATOM 1064 O PRO A 64 -10.414 16.366 0.094 1.00 0.00 O ATOM 1065 CB PRO A 64 -12.723 15.434 1.930 1.00 0.00 C ATOM 1066 CG PRO A 64 -12.539 14.237 2.799 1.00 0.00 C ATOM 1067 CD PRO A 64 -11.374 13.487 2.219 1.00 0.00 C ATOM 0 HA PRO A 64 -13.167 14.721 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.103 16.265 2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.756 15.780 1.948 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.342 14.529 3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -13.437 13.619 2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.428 13.815 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.453 12.415 2.400 1.00 0.00 H new ATOM 1075 N THR A 65 -12.235 16.673 -1.198 1.00 0.00 N ATOM 1076 CA THR A 65 -11.632 17.728 -2.012 1.00 0.00 C ATOM 1077 C THR A 65 -10.659 17.127 -3.024 1.00 0.00 C ATOM 1078 O THR A 65 -10.752 15.945 -3.356 1.00 0.00 O ATOM 1079 CB THR A 65 -10.916 18.761 -1.132 1.00 0.00 C ATOM 1080 OG1 THR A 65 -9.566 18.390 -0.917 1.00 0.00 O ATOM 1081 CG2 THR A 65 -11.564 18.960 0.222 1.00 0.00 C ATOM 0 H THR A 65 -13.195 16.444 -1.455 1.00 0.00 H new ATOM 0 HA THR A 65 -12.430 18.238 -2.552 1.00 0.00 H new ATOM 0 HB THR A 65 -10.984 19.699 -1.683 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.528 17.653 -0.273 1.00 0.00 H new ATOM 0 HG21 THR A 65 -11.003 19.704 0.788 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.590 19.304 0.088 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.566 18.016 0.767 1.00 0.00 H new ATOM 1089 N ALA A 66 -9.720 17.937 -3.507 1.00 0.00 N ATOM 1090 CA ALA A 66 -8.740 17.469 -4.482 1.00 0.00 C ATOM 1091 C ALA A 66 -7.495 16.909 -3.796 1.00 0.00 C ATOM 1092 O ALA A 66 -6.372 17.156 -4.235 1.00 0.00 O ATOM 1093 CB ALA A 66 -8.359 18.597 -5.429 1.00 0.00 C ATOM 0 H ALA A 66 -9.618 18.916 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.197 16.662 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.627 18.234 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.247 18.945 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.929 19.421 -4.859 1.00 0.00 H new ATOM 1099 N GLU A 67 -7.700 16.157 -2.719 1.00 0.00 N ATOM 1100 CA GLU A 67 -6.593 15.564 -1.981 1.00 0.00 C ATOM 1101 C GLU A 67 -6.682 14.040 -1.993 1.00 0.00 C ATOM 1102 O GLU A 67 -7.748 13.470 -1.765 1.00 0.00 O ATOM 1103 CB GLU A 67 -6.586 16.071 -0.537 1.00 0.00 C ATOM 1104 CG GLU A 67 -5.259 15.864 0.174 1.00 0.00 C ATOM 1105 CD GLU A 67 -5.425 15.236 1.544 1.00 0.00 C ATOM 1106 OE1 GLU A 67 -6.568 15.200 2.046 1.00 0.00 O ATOM 1107 OE2 GLU A 67 -4.412 14.779 2.114 1.00 0.00 O ATOM 0 H GLU A 67 -8.622 15.945 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.665 15.860 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.829 17.134 -0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.371 15.562 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.618 15.229 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.752 16.824 0.277 1.00 0.00 H new ATOM 1114 N GLU A 68 -5.559 13.389 -2.277 1.00 0.00 N ATOM 1115 CA GLU A 68 -5.502 11.933 -2.311 1.00 0.00 C ATOM 1116 C GLU A 68 -4.459 11.404 -1.332 1.00 0.00 C ATOM 1117 O GLU A 68 -3.455 12.063 -1.063 1.00 0.00 O ATOM 1118 CB GLU A 68 -5.168 11.451 -3.723 1.00 0.00 C ATOM 1119 CG GLU A 68 -6.353 11.481 -4.669 1.00 0.00 C ATOM 1120 CD GLU A 68 -6.617 12.863 -5.233 1.00 0.00 C ATOM 1121 OE1 GLU A 68 -5.641 13.614 -5.445 1.00 0.00 O ATOM 1122 OE2 GLU A 68 -7.799 13.195 -5.463 1.00 0.00 O ATOM 0 H GLU A 68 -4.673 13.849 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.480 11.551 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.371 12.073 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.782 10.433 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.175 10.786 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.242 11.132 -4.143 1.00 0.00 H new ATOM 1129 N PHE A 69 -4.692 10.200 -0.820 1.00 0.00 N ATOM 1130 CA PHE A 69 -3.753 9.564 0.094 1.00 0.00 C ATOM 1131 C PHE A 69 -3.143 8.327 -0.555 1.00 0.00 C ATOM 1132 O PHE A 69 -3.842 7.356 -0.835 1.00 0.00 O ATOM 1133 CB PHE A 69 -4.461 9.174 1.392 1.00 0.00 C ATOM 1134 CG PHE A 69 -4.470 10.264 2.426 1.00 0.00 C ATOM 1135 CD1 PHE A 69 -5.421 11.271 2.381 1.00 0.00 C ATOM 1136 CD2 PHE A 69 -3.530 10.280 3.444 1.00 0.00 C ATOM 1137 CE1 PHE A 69 -5.433 12.275 3.331 1.00 0.00 C ATOM 1138 CE2 PHE A 69 -3.538 11.281 4.397 1.00 0.00 C ATOM 1139 CZ PHE A 69 -4.490 12.279 4.341 1.00 0.00 C ATOM 0 H PHE A 69 -5.524 9.646 -1.023 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.957 10.273 0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.489 8.893 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.975 8.293 1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.161 11.271 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.783 9.502 3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.178 13.055 3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.800 11.282 5.185 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.498 13.062 5.085 1.00 0.00 H new ATOM 1149 N VAL A 70 -1.833 8.353 -0.765 1.00 0.00 N ATOM 1150 CA VAL A 70 -1.146 7.238 -1.401 1.00 0.00 C ATOM 1151 C VAL A 70 -0.147 6.581 -0.454 1.00 0.00 C ATOM 1152 O VAL A 70 0.590 7.261 0.260 1.00 0.00 O ATOM 1153 CB VAL A 70 -0.410 7.687 -2.678 1.00 0.00 C ATOM 1154 CG1 VAL A 70 0.295 6.509 -3.336 1.00 0.00 C ATOM 1155 CG2 VAL A 70 -1.379 8.345 -3.649 1.00 0.00 C ATOM 0 H VAL A 70 -1.227 9.131 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.913 6.511 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 70 0.346 8.421 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.808 6.848 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.021 6.086 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.439 5.748 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.842 8.656 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.159 7.634 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.831 9.217 -3.177 1.00 0.00 H new ATOM 1165 N THR A 71 -0.126 5.254 -0.465 1.00 0.00 N ATOM 1166 CA THR A 71 0.791 4.491 0.371 1.00 0.00 C ATOM 1167 C THR A 71 1.445 3.378 -0.440 1.00 0.00 C ATOM 1168 O THR A 71 0.767 2.636 -1.150 1.00 0.00 O ATOM 1169 CB THR A 71 0.054 3.899 1.574 1.00 0.00 C ATOM 1170 OG1 THR A 71 0.968 3.301 2.476 1.00 0.00 O ATOM 1171 CG2 THR A 71 -0.970 2.853 1.193 1.00 0.00 C ATOM 0 H THR A 71 -0.737 4.682 -1.047 1.00 0.00 H new ATOM 0 HA THR A 71 1.567 5.165 0.734 1.00 0.00 H new ATOM 0 HB THR A 71 -0.465 4.738 2.037 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.479 2.930 3.239 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.456 2.475 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.718 3.298 0.537 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.475 2.031 0.675 1.00 0.00 H new ATOM 1179 N TYR A 72 2.766 3.272 -0.342 1.00 0.00 N ATOM 1180 CA TYR A 72 3.500 2.256 -1.085 1.00 0.00 C ATOM 1181 C TYR A 72 3.833 1.061 -0.199 1.00 0.00 C ATOM 1182 O TYR A 72 4.158 1.214 0.978 1.00 0.00 O ATOM 1183 CB TYR A 72 4.785 2.849 -1.673 1.00 0.00 C ATOM 1184 CG TYR A 72 4.568 3.597 -2.973 1.00 0.00 C ATOM 1185 CD1 TYR A 72 3.368 4.252 -3.235 1.00 0.00 C ATOM 1186 CD2 TYR A 72 5.561 3.641 -3.945 1.00 0.00 C ATOM 1187 CE1 TYR A 72 3.166 4.929 -4.422 1.00 0.00 C ATOM 1188 CE2 TYR A 72 5.367 4.317 -5.134 1.00 0.00 C ATOM 1189 CZ TYR A 72 4.168 4.958 -5.369 1.00 0.00 C ATOM 1190 OH TYR A 72 3.971 5.631 -6.552 1.00 0.00 O ATOM 0 H TYR A 72 3.347 3.874 0.241 1.00 0.00 H new ATOM 0 HA TYR A 72 2.863 1.910 -1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.230 3.526 -0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.502 2.046 -1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.580 4.230 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.500 3.138 -3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.229 5.433 -4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.151 4.344 -5.877 1.00 0.00 H new ATOM 0 HH TYR A 72 4.694 5.413 -7.177 1.00 0.00 H new ATOM 1200 N ARG A 73 3.722 -0.131 -0.774 1.00 0.00 N ATOM 1201 CA ARG A 73 4.036 -1.364 -0.061 1.00 0.00 C ATOM 1202 C ARG A 73 5.083 -2.147 -0.836 1.00 0.00 C ATOM 1203 O ARG A 73 4.923 -2.385 -2.030 1.00 0.00 O ATOM 1204 CB ARG A 73 2.780 -2.215 0.113 1.00 0.00 C ATOM 1205 CG ARG A 73 2.789 -3.044 1.382 1.00 0.00 C ATOM 1206 CD ARG A 73 2.086 -2.323 2.516 1.00 0.00 C ATOM 1207 NE ARG A 73 0.640 -2.262 2.306 1.00 0.00 N ATOM 1208 CZ ARG A 73 -0.257 -2.174 3.286 1.00 0.00 C ATOM 1209 NH1 ARG A 73 0.130 -2.136 4.553 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -1.551 -2.123 2.996 1.00 0.00 N ATOM 0 H ARG A 73 3.415 -0.270 -1.737 1.00 0.00 H new ATOM 0 HA ARG A 73 4.425 -1.111 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.906 -1.564 0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.677 -2.879 -0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.300 -4.000 1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.818 -3.262 1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.296 -2.833 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.483 -1.312 2.606 1.00 0.00 H new ATOM 0 HE ARG A 73 0.296 -2.289 1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.123 -2.174 4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.565 -2.069 5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.857 -2.151 2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.239 -2.056 3.746 1.00 0.00 H new ATOM 1224 N LEU A 74 6.143 -2.558 -0.156 1.00 0.00 N ATOM 1225 CA LEU A 74 7.223 -3.285 -0.809 1.00 0.00 C ATOM 1226 C LEU A 74 7.125 -4.782 -0.544 1.00 0.00 C ATOM 1227 O LEU A 74 7.074 -5.217 0.607 1.00 0.00 O ATOM 1228 CB LEU A 74 8.581 -2.749 -0.334 1.00 0.00 C ATOM 1229 CG LEU A 74 9.779 -3.683 -0.558 1.00 0.00 C ATOM 1230 CD1 LEU A 74 9.931 -4.014 -2.034 1.00 0.00 C ATOM 1231 CD2 LEU A 74 11.054 -3.061 -0.012 1.00 0.00 C ATOM 0 H LEU A 74 6.279 -2.402 0.843 1.00 0.00 H new ATOM 0 HA LEU A 74 7.132 -3.130 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.778 -1.806 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.511 -2.526 0.731 1.00 0.00 H new ATOM 0 HG LEU A 74 9.595 -4.611 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.785 -4.677 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.027 -4.508 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.090 -3.095 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.891 -3.739 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.244 -2.116 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.942 -2.882 1.057 1.00 0.00 H new ATOM 1243 N VAL A 75 7.142 -5.567 -1.615 1.00 0.00 N ATOM 1244 CA VAL A 75 7.129 -7.015 -1.486 1.00 0.00 C ATOM 1245 C VAL A 75 8.514 -7.498 -1.082 1.00 0.00 C ATOM 1246 O VAL A 75 9.482 -7.337 -1.826 1.00 0.00 O ATOM 1247 CB VAL A 75 6.701 -7.701 -2.801 1.00 0.00 C ATOM 1248 CG1 VAL A 75 6.791 -9.214 -2.684 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.294 -7.284 -3.179 1.00 0.00 C ATOM 0 H VAL A 75 7.165 -5.226 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 75 6.400 -7.281 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 75 7.386 -7.382 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.484 -9.671 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.818 -9.501 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.136 -9.557 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.006 -7.776 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.604 -7.573 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.259 -6.203 -3.315 1.00 0.00 H new ATOM 1259 N GLN A 76 8.606 -8.070 0.109 1.00 0.00 N ATOM 1260 CA GLN A 76 9.882 -8.538 0.632 1.00 0.00 C ATOM 1261 C GLN A 76 9.789 -9.989 1.087 1.00 0.00 C ATOM 1262 O GLN A 76 8.709 -10.482 1.407 1.00 0.00 O ATOM 1263 CB GLN A 76 10.333 -7.646 1.793 1.00 0.00 C ATOM 1264 CG GLN A 76 11.817 -7.751 2.102 1.00 0.00 C ATOM 1265 CD GLN A 76 12.351 -6.528 2.822 1.00 0.00 C ATOM 1266 OE1 GLN A 76 11.950 -6.232 3.947 1.00 0.00 O ATOM 1267 NE2 GLN A 76 13.261 -5.810 2.174 1.00 0.00 N ATOM 0 H GLN A 76 7.813 -8.222 0.732 1.00 0.00 H new ATOM 0 HA GLN A 76 10.620 -8.482 -0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.092 -6.609 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.765 -7.911 2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.995 -8.635 2.714 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.369 -7.891 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.565 -6.093 1.242 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.656 -4.976 2.608 1.00 0.00 H new ATOM 1276 N ASP A 77 10.926 -10.676 1.095 1.00 0.00 N ATOM 1277 CA ASP A 77 10.970 -12.072 1.506 1.00 0.00 C ATOM 1278 C ASP A 77 10.991 -12.193 3.026 1.00 0.00 C ATOM 1279 O ASP A 77 10.743 -13.307 3.535 1.00 0.00 O ATOM 1280 CB ASP A 77 12.200 -12.761 0.913 1.00 0.00 C ATOM 1281 CG ASP A 77 11.902 -14.170 0.437 1.00 0.00 C ATOM 1282 OD1 ASP A 77 10.918 -14.347 -0.313 1.00 0.00 O ATOM 1283 OD2 ASP A 77 12.651 -15.095 0.814 1.00 0.00 O ATOM 1284 OXT ASP A 77 11.260 -11.174 3.696 1.00 0.00 O ATOM 0 H ASP A 77 11.829 -10.288 0.821 1.00 0.00 H new ATOM 0 HA ASP A 77 10.071 -12.562 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.576 -12.170 0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.991 -12.793 1.662 1.00 0.00 H new TER 1289 ASP A 77