USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 694 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 22 MET CE :methyl -133:sc= -5.96! (180deg=-11.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.158 K(o=0.16,f=-3.7!) USER MOD Single : A 27 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.2!) USER MOD Single : A 31 LYS NZ :NH3+ 140:sc= 0.487 (180deg=-0.539) USER MOD Single : A 33 GLN : amide:sc= -5.07! K(o=-5.1!,f=-3.8) USER MOD Single : A 36 HIS : no HD1:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-6.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -11.4! C(o=-11!,f=-8.1!) USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0.431 (180deg=0.332) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0375 K(o=-0.038,f=-0.89) USER MOD Single : A 82 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.17) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 171:sc= -2.25! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 152:sc= -0.0919 (180deg=-0.361) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 1.418 18.451 -0.171 1.00 0.00 N ATOM 2 CA GLY A 17 1.842 18.198 1.236 1.00 0.00 C ATOM 3 C GLY A 17 1.991 16.693 1.462 1.00 0.00 C ATOM 4 O GLY A 17 2.793 16.037 0.828 1.00 0.00 O ATOM 0 HA2 GLY A 17 2.787 18.702 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.107 18.609 1.928 1.00 0.00 H new ATOM 10 N GLU A 18 1.224 16.142 2.362 1.00 0.00 N ATOM 11 CA GLU A 18 1.321 14.678 2.631 1.00 0.00 C ATOM 12 C GLU A 18 1.183 13.884 1.332 1.00 0.00 C ATOM 13 O GLU A 18 0.348 14.174 0.497 1.00 0.00 O ATOM 14 CB GLU A 18 0.164 14.374 3.576 1.00 0.00 C ATOM 15 CG GLU A 18 0.505 14.904 4.967 1.00 0.00 C ATOM 16 CD GLU A 18 1.803 14.261 5.458 1.00 0.00 C ATOM 17 OE1 GLU A 18 2.161 13.221 4.932 1.00 0.00 O ATOM 18 OE2 GLU A 18 2.415 14.820 6.354 1.00 0.00 O ATOM 0 H GLU A 18 0.534 16.641 2.923 1.00 0.00 H new ATOM 0 HA GLU A 18 2.283 14.402 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.752 14.838 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.017 13.300 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.613 15.988 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.307 14.683 5.660 1.00 0.00 H new ATOM 25 N GLU A 19 2.009 12.891 1.153 1.00 0.00 N ATOM 26 CA GLU A 19 1.954 12.079 -0.090 1.00 0.00 C ATOM 27 C GLU A 19 0.625 11.317 -0.215 1.00 0.00 C ATOM 28 O GLU A 19 0.007 11.309 -1.261 1.00 0.00 O ATOM 29 CB GLU A 19 3.125 11.099 0.034 1.00 0.00 C ATOM 30 CG GLU A 19 4.448 11.876 0.041 1.00 0.00 C ATOM 31 CD GLU A 19 4.951 12.044 -1.394 1.00 0.00 C ATOM 32 OE1 GLU A 19 4.265 11.594 -2.297 1.00 0.00 O ATOM 33 OE2 GLU A 19 6.013 12.621 -1.564 1.00 0.00 O ATOM 0 H GLU A 19 2.725 12.607 1.822 1.00 0.00 H new ATOM 0 HA GLU A 19 2.021 12.705 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.029 10.516 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.111 10.393 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.306 12.852 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.190 11.345 0.638 1.00 0.00 H new ATOM 40 N PHE A 20 0.195 10.648 0.823 1.00 0.00 N ATOM 41 CA PHE A 20 -1.074 9.865 0.720 1.00 0.00 C ATOM 42 C PHE A 20 -2.168 10.405 1.649 1.00 0.00 C ATOM 43 O PHE A 20 -1.960 11.325 2.416 1.00 0.00 O ATOM 44 CB PHE A 20 -0.664 8.448 1.110 1.00 0.00 C ATOM 45 CG PHE A 20 0.311 7.945 0.077 1.00 0.00 C ATOM 46 CD1 PHE A 20 -0.162 7.294 -1.068 1.00 0.00 C ATOM 47 CD2 PHE A 20 1.687 8.153 0.248 1.00 0.00 C ATOM 48 CE1 PHE A 20 0.736 6.853 -2.040 1.00 0.00 C ATOM 49 CE2 PHE A 20 2.586 7.706 -0.723 1.00 0.00 C ATOM 50 CZ PHE A 20 2.112 7.057 -1.870 1.00 0.00 C ATOM 0 H PHE A 20 0.661 10.609 1.729 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.508 9.922 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.208 8.442 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.538 7.798 1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.222 7.133 -1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.052 8.659 1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.370 6.354 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.646 7.861 -0.589 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.806 6.714 -2.623 1.00 0.00 H new ATOM 60 N ARG A 21 -3.343 9.833 1.563 1.00 0.00 N ATOM 61 CA ARG A 21 -4.485 10.289 2.407 1.00 0.00 C ATOM 62 C ARG A 21 -4.429 9.645 3.791 1.00 0.00 C ATOM 63 O ARG A 21 -4.320 10.317 4.798 1.00 0.00 O ATOM 64 CB ARG A 21 -5.727 9.807 1.664 1.00 0.00 C ATOM 65 CG ARG A 21 -6.377 10.975 0.926 1.00 0.00 C ATOM 66 CD ARG A 21 -7.823 11.123 1.398 1.00 0.00 C ATOM 67 NE ARG A 21 -8.518 11.835 0.292 1.00 0.00 N ATOM 68 CZ ARG A 21 -9.541 11.280 -0.295 1.00 0.00 C ATOM 69 NH1 ARG A 21 -9.396 10.145 -0.922 1.00 0.00 N ATOM 70 NH2 ARG A 21 -10.710 11.857 -0.251 1.00 0.00 N ATOM 0 H ARG A 21 -3.560 9.059 0.935 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.473 11.368 2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.457 9.023 0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.436 9.370 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.824 11.895 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.349 10.802 -0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.277 10.151 1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.879 11.689 2.328 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.195 12.755 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.482 9.692 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.196 9.710 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.823 12.742 0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.511 11.423 -0.710 1.00 0.00 H new ATOM 84 N MET A 22 -4.515 8.346 3.849 1.00 0.00 N ATOM 85 CA MET A 22 -4.482 7.656 5.168 1.00 0.00 C ATOM 86 C MET A 22 -3.049 7.543 5.675 1.00 0.00 C ATOM 87 O MET A 22 -2.103 7.799 4.958 1.00 0.00 O ATOM 88 CB MET A 22 -5.053 6.266 4.907 1.00 0.00 C ATOM 89 CG MET A 22 -6.432 6.395 4.268 1.00 0.00 C ATOM 90 SD MET A 22 -7.126 4.743 4.016 1.00 0.00 S ATOM 91 CE MET A 22 -7.194 4.805 2.212 1.00 0.00 C ATOM 0 H MET A 22 -4.607 7.732 3.040 1.00 0.00 H new ATOM 0 HA MET A 22 -5.049 8.200 5.923 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.387 5.705 4.251 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.124 5.709 5.841 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.089 6.985 4.907 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.357 6.921 3.316 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.169 4.456 1.872 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.039 5.831 1.877 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.415 4.166 1.796 1.00 0.00 H new ATOM 101 N GLU A 23 -2.884 7.161 6.907 1.00 0.00 N ATOM 102 CA GLU A 23 -1.514 7.032 7.463 1.00 0.00 C ATOM 103 C GLU A 23 -0.909 5.677 7.089 1.00 0.00 C ATOM 104 O GLU A 23 0.273 5.459 7.247 1.00 0.00 O ATOM 105 CB GLU A 23 -1.687 7.154 8.974 1.00 0.00 C ATOM 106 CG GLU A 23 -0.321 7.366 9.629 1.00 0.00 C ATOM 107 CD GLU A 23 -0.406 8.528 10.622 1.00 0.00 C ATOM 108 OE1 GLU A 23 -0.886 8.308 11.721 1.00 0.00 O ATOM 109 OE2 GLU A 23 0.011 9.618 10.265 1.00 0.00 O ATOM 0 H GLU A 23 -3.639 6.932 7.553 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.837 7.791 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.348 7.988 9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.157 6.254 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.007 6.457 10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.430 7.578 8.868 1.00 0.00 H new ATOM 116 N LYS A 24 -1.694 4.763 6.582 1.00 0.00 N ATOM 117 CA LYS A 24 -1.111 3.446 6.198 1.00 0.00 C ATOM 118 C LYS A 24 -0.206 3.643 4.980 1.00 0.00 C ATOM 119 O LYS A 24 0.929 3.193 4.947 1.00 0.00 O ATOM 120 CB LYS A 24 -2.301 2.527 5.874 1.00 0.00 C ATOM 121 CG LYS A 24 -3.108 3.079 4.695 1.00 0.00 C ATOM 122 CD LYS A 24 -4.280 2.140 4.398 1.00 0.00 C ATOM 123 CE LYS A 24 -5.008 1.801 5.700 1.00 0.00 C ATOM 124 NZ LYS A 24 -6.126 0.906 5.289 1.00 0.00 N ATOM 0 H LYS A 24 -2.695 4.868 6.420 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.504 3.007 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.940 1.526 5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.944 2.434 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.478 4.077 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.471 3.173 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.968 2.612 3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.917 1.228 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.343 1.305 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.381 2.700 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.675 0.628 6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.745 1.408 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.740 0.056 4.831 1.00 0.00 H new ATOM 138 N LEU A 25 -0.686 4.347 3.992 1.00 0.00 N ATOM 139 CA LEU A 25 0.152 4.602 2.793 1.00 0.00 C ATOM 140 C LEU A 25 1.223 5.613 3.150 1.00 0.00 C ATOM 141 O LEU A 25 2.370 5.448 2.824 1.00 0.00 O ATOM 142 CB LEU A 25 -0.793 5.174 1.745 1.00 0.00 C ATOM 143 CG LEU A 25 -2.037 4.294 1.614 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.706 4.587 0.277 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.661 2.808 1.665 1.00 0.00 C ATOM 0 H LEU A 25 -1.621 4.755 3.966 1.00 0.00 H new ATOM 0 HA LEU A 25 0.646 3.702 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.084 6.187 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.283 5.240 0.784 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.712 4.513 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.595 3.965 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.991 5.638 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.011 4.367 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.562 2.201 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.980 2.577 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.174 2.588 2.615 1.00 0.00 H new ATOM 157 N ASN A 26 0.861 6.652 3.839 1.00 0.00 N ATOM 158 CA ASN A 26 1.883 7.650 4.236 1.00 0.00 C ATOM 159 C ASN A 26 3.045 6.905 4.891 1.00 0.00 C ATOM 160 O ASN A 26 4.143 6.861 4.378 1.00 0.00 O ATOM 161 CB ASN A 26 1.186 8.552 5.255 1.00 0.00 C ATOM 162 CG ASN A 26 0.703 9.830 4.568 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.330 10.312 3.645 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.393 10.403 4.983 1.00 0.00 N ATOM 0 H ASN A 26 -0.092 6.853 4.143 1.00 0.00 H new ATOM 0 HA ASN A 26 2.273 8.228 3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.342 8.027 5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.872 8.800 6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.724 11.256 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.919 9.998 5.758 1.00 0.00 H new ATOM 171 N GLN A 27 2.786 6.311 6.024 1.00 0.00 N ATOM 172 CA GLN A 27 3.837 5.548 6.756 1.00 0.00 C ATOM 173 C GLN A 27 4.589 4.589 5.825 1.00 0.00 C ATOM 174 O GLN A 27 5.796 4.486 5.881 1.00 0.00 O ATOM 175 CB GLN A 27 3.068 4.760 7.818 1.00 0.00 C ATOM 176 CG GLN A 27 2.841 5.642 9.045 1.00 0.00 C ATOM 177 CD GLN A 27 3.027 4.803 10.311 1.00 0.00 C ATOM 178 OE1 GLN A 27 3.893 3.954 10.368 1.00 0.00 O ATOM 179 NE2 GLN A 27 2.243 5.002 11.333 1.00 0.00 N ATOM 0 H GLN A 27 1.874 6.323 6.481 1.00 0.00 H new ATOM 0 HA GLN A 27 4.592 6.210 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.112 4.426 7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.626 3.867 8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.542 6.477 9.042 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.838 6.068 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.515 5.715 11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.357 4.445 12.180 1.00 0.00 H new ATOM 188 N LEU A 28 3.900 3.867 4.983 1.00 0.00 N ATOM 189 CA LEU A 28 4.616 2.911 4.082 1.00 0.00 C ATOM 190 C LEU A 28 5.563 3.644 3.129 1.00 0.00 C ATOM 191 O LEU A 28 6.657 3.192 2.842 1.00 0.00 O ATOM 192 CB LEU A 28 3.509 2.213 3.286 1.00 0.00 C ATOM 193 CG LEU A 28 3.570 0.706 3.525 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.703 0.346 4.731 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.047 -0.016 2.279 1.00 0.00 C ATOM 0 H LEU A 28 2.886 3.894 4.878 1.00 0.00 H new ATOM 0 HA LEU A 28 5.230 2.213 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.535 2.599 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.623 2.427 2.223 1.00 0.00 H new ATOM 0 HG LEU A 28 4.598 0.402 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.746 -0.730 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.072 0.869 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.672 0.642 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.086 -1.093 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.017 0.285 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.665 0.246 1.420 1.00 0.00 H new ATOM 207 N TRP A 29 5.139 4.757 2.627 1.00 0.00 N ATOM 208 CA TRP A 29 5.974 5.528 1.678 1.00 0.00 C ATOM 209 C TRP A 29 7.199 6.109 2.392 1.00 0.00 C ATOM 210 O TRP A 29 8.328 5.866 2.005 1.00 0.00 O ATOM 211 CB TRP A 29 5.027 6.620 1.191 1.00 0.00 C ATOM 212 CG TRP A 29 5.770 7.623 0.385 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.753 8.949 0.613 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.621 7.411 -0.773 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.545 9.576 -0.331 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.103 8.666 -1.211 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.015 6.262 -1.480 1.00 0.00 C ATOM 218 CZ2 TRP A 29 7.952 8.776 -2.312 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.869 6.369 -2.588 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.335 7.623 -3.004 1.00 0.00 C ATOM 0 H TRP A 29 4.232 5.175 2.837 1.00 0.00 H new ATOM 0 HA TRP A 29 6.375 4.931 0.859 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.230 6.180 0.592 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.553 7.107 2.043 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.209 9.443 1.405 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.699 10.583 -0.373 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.658 5.291 -1.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.311 9.744 -2.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.169 5.480 -3.123 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.990 7.699 -3.859 1.00 0.00 H new ATOM 231 N GLU A 30 6.998 6.866 3.438 1.00 0.00 N ATOM 232 CA GLU A 30 8.160 7.434 4.155 1.00 0.00 C ATOM 233 C GLU A 30 9.077 6.310 4.630 1.00 0.00 C ATOM 234 O GLU A 30 10.287 6.435 4.615 1.00 0.00 O ATOM 235 CB GLU A 30 7.573 8.205 5.336 1.00 0.00 C ATOM 236 CG GLU A 30 6.547 7.354 6.085 1.00 0.00 C ATOM 237 CD GLU A 30 6.557 7.729 7.568 1.00 0.00 C ATOM 238 OE1 GLU A 30 5.846 8.652 7.930 1.00 0.00 O ATOM 239 OE2 GLU A 30 7.274 7.085 8.317 1.00 0.00 O ATOM 0 H GLU A 30 6.084 7.110 3.819 1.00 0.00 H new ATOM 0 HA GLU A 30 8.762 8.085 3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.372 8.501 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.102 9.121 4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.553 7.511 5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.780 6.296 5.965 1.00 0.00 H new ATOM 246 N LYS A 31 8.519 5.198 5.025 1.00 0.00 N ATOM 247 CA LYS A 31 9.383 4.073 5.463 1.00 0.00 C ATOM 248 C LYS A 31 10.249 3.671 4.279 1.00 0.00 C ATOM 249 O LYS A 31 11.451 3.529 4.388 1.00 0.00 O ATOM 250 CB LYS A 31 8.424 2.946 5.857 1.00 0.00 C ATOM 251 CG LYS A 31 9.159 1.940 6.749 1.00 0.00 C ATOM 252 CD LYS A 31 8.149 0.972 7.364 1.00 0.00 C ATOM 253 CE LYS A 31 7.629 0.029 6.279 1.00 0.00 C ATOM 254 NZ LYS A 31 6.744 -0.929 6.994 1.00 0.00 N ATOM 0 H LYS A 31 7.515 5.024 5.062 1.00 0.00 H new ATOM 0 HA LYS A 31 10.037 4.321 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.562 3.355 6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.045 2.448 4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.896 1.390 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.702 2.464 7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.617 0.400 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.322 1.525 7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.081 0.575 5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.448 -0.488 5.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.901 -1.121 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.258 -1.817 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.453 -0.520 7.905 1.00 0.00 H new ATOM 268 N ALA A 32 9.641 3.518 3.134 1.00 0.00 N ATOM 269 CA ALA A 32 10.417 3.161 1.924 1.00 0.00 C ATOM 270 C ALA A 32 11.584 4.131 1.773 1.00 0.00 C ATOM 271 O ALA A 32 12.711 3.737 1.558 1.00 0.00 O ATOM 272 CB ALA A 32 9.435 3.324 0.773 1.00 0.00 C ATOM 0 H ALA A 32 8.637 3.626 2.989 1.00 0.00 H new ATOM 0 HA ALA A 32 10.831 2.153 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.931 3.078 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.587 2.656 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.083 4.355 0.738 1.00 0.00 H new ATOM 278 N GLN A 33 11.322 5.404 1.902 1.00 0.00 N ATOM 279 CA GLN A 33 12.425 6.394 1.790 1.00 0.00 C ATOM 280 C GLN A 33 13.480 6.066 2.846 1.00 0.00 C ATOM 281 O GLN A 33 14.668 6.216 2.635 1.00 0.00 O ATOM 282 CB GLN A 33 11.776 7.750 2.078 1.00 0.00 C ATOM 283 CG GLN A 33 10.791 8.092 0.959 1.00 0.00 C ATOM 284 CD GLN A 33 9.798 9.144 1.451 1.00 0.00 C ATOM 285 OE1 GLN A 33 10.184 10.142 2.027 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.524 8.959 1.242 1.00 0.00 N ATOM 0 H GLN A 33 10.397 5.797 2.079 1.00 0.00 H new ATOM 0 HA GLN A 33 12.911 6.389 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.258 7.721 3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.541 8.523 2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.330 8.466 0.088 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.259 7.195 0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.203 8.120 0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.849 9.653 1.562 1.00 0.00 H new ATOM 295 N ARG A 34 13.038 5.607 3.985 1.00 0.00 N ATOM 296 CA ARG A 34 13.983 5.249 5.080 1.00 0.00 C ATOM 297 C ARG A 34 14.736 3.952 4.750 1.00 0.00 C ATOM 298 O ARG A 34 15.810 3.703 5.262 1.00 0.00 O ATOM 299 CB ARG A 34 13.089 5.056 6.307 1.00 0.00 C ATOM 300 CG ARG A 34 13.868 5.422 7.568 1.00 0.00 C ATOM 301 CD ARG A 34 14.545 4.169 8.126 1.00 0.00 C ATOM 302 NE ARG A 34 15.834 4.650 8.694 1.00 0.00 N ATOM 303 CZ ARG A 34 16.265 4.167 9.826 1.00 0.00 C ATOM 304 NH1 ARG A 34 16.992 3.083 9.838 1.00 0.00 N ATOM 305 NH2 ARG A 34 15.970 4.769 10.944 1.00 0.00 N ATOM 0 H ARG A 34 12.052 5.463 4.205 1.00 0.00 H new ATOM 0 HA ARG A 34 14.745 6.013 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.199 5.679 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.750 4.022 6.364 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.615 6.182 7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.197 5.849 8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.929 3.695 8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.710 3.428 7.344 1.00 0.00 H new ATOM 0 HE ARG A 34 16.379 5.356 8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.223 2.614 8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.329 2.705 10.723 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.403 5.617 10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.306 4.392 11.830 1.00 0.00 H new ATOM 319 N LEU A 35 14.186 3.121 3.899 1.00 0.00 N ATOM 320 CA LEU A 35 14.884 1.844 3.547 1.00 0.00 C ATOM 321 C LEU A 35 15.998 2.092 2.521 1.00 0.00 C ATOM 322 O LEU A 35 16.539 1.167 1.949 1.00 0.00 O ATOM 323 CB LEU A 35 13.803 0.930 2.954 1.00 0.00 C ATOM 324 CG LEU A 35 12.568 0.885 3.867 1.00 0.00 C ATOM 325 CD1 LEU A 35 11.845 -0.449 3.680 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.982 1.028 5.339 1.00 0.00 C ATOM 0 H LEU A 35 13.290 3.269 3.435 1.00 0.00 H new ATOM 0 HA LEU A 35 15.358 1.397 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.518 1.290 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.202 -0.076 2.824 1.00 0.00 H new ATOM 0 HG LEU A 35 11.907 1.710 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.969 -0.482 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.532 -0.551 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.518 -1.267 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.095 0.994 5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.652 0.212 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.493 1.980 5.482 1.00 0.00 H new ATOM 338 N HIS A 36 16.351 3.330 2.296 1.00 0.00 N ATOM 339 CA HIS A 36 17.441 3.654 1.323 1.00 0.00 C ATOM 340 C HIS A 36 17.096 3.195 -0.100 1.00 0.00 C ATOM 341 O HIS A 36 17.948 3.178 -0.966 1.00 0.00 O ATOM 342 CB HIS A 36 18.679 2.917 1.842 1.00 0.00 C ATOM 343 CG HIS A 36 19.056 3.458 3.193 1.00 0.00 C ATOM 344 ND1 HIS A 36 20.015 4.446 3.352 1.00 0.00 N ATOM 345 CD2 HIS A 36 18.614 3.157 4.458 1.00 0.00 C ATOM 346 CE1 HIS A 36 20.119 4.703 4.669 1.00 0.00 C ATOM 347 NE2 HIS A 36 19.287 3.945 5.388 1.00 0.00 N ATOM 0 H HIS A 36 15.928 4.140 2.748 1.00 0.00 H new ATOM 0 HA HIS A 36 17.597 4.731 1.256 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.477 1.848 1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.508 3.041 1.145 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.860 2.421 4.695 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.793 5.433 5.093 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.170 3.944 6.401 1.00 0.00 H new ATOM 355 N LEU A 37 15.869 2.837 -0.369 1.00 0.00 N ATOM 356 CA LEU A 37 15.532 2.408 -1.758 1.00 0.00 C ATOM 357 C LEU A 37 16.077 3.431 -2.756 1.00 0.00 C ATOM 358 O LEU A 37 16.220 4.594 -2.434 1.00 0.00 O ATOM 359 CB LEU A 37 14.003 2.414 -1.842 1.00 0.00 C ATOM 360 CG LEU A 37 13.384 1.392 -0.888 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.865 1.487 -1.006 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.812 -0.022 -1.275 1.00 0.00 C ATOM 0 H LEU A 37 15.098 2.822 0.299 1.00 0.00 H new ATOM 0 HA LEU A 37 15.956 1.430 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.629 3.409 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.693 2.194 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 37 13.714 1.600 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.402 0.765 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.541 2.493 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.565 1.271 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.364 -0.739 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.480 -0.237 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.898 -0.100 -1.224 1.00 0.00 H new ATOM 374 N PRO A 38 16.326 2.977 -3.951 1.00 0.00 N ATOM 375 CA PRO A 38 16.807 3.883 -5.014 1.00 0.00 C ATOM 376 C PRO A 38 15.623 4.723 -5.503 1.00 0.00 C ATOM 377 O PRO A 38 14.512 4.532 -5.048 1.00 0.00 O ATOM 378 CB PRO A 38 17.311 2.933 -6.097 1.00 0.00 C ATOM 379 CG PRO A 38 16.566 1.655 -5.878 1.00 0.00 C ATOM 380 CD PRO A 38 16.191 1.595 -4.418 1.00 0.00 C ATOM 0 HA PRO A 38 17.585 4.579 -4.701 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.120 3.334 -7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.387 2.780 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.675 1.618 -6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.184 0.799 -6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.174 1.228 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.848 0.923 -3.866 1.00 0.00 H new ATOM 388 N PRO A 39 15.883 5.627 -6.403 1.00 0.00 N ATOM 389 CA PRO A 39 14.796 6.491 -6.931 1.00 0.00 C ATOM 390 C PRO A 39 13.792 5.660 -7.740 1.00 0.00 C ATOM 391 O PRO A 39 12.592 5.796 -7.590 1.00 0.00 O ATOM 392 CB PRO A 39 15.536 7.494 -7.813 1.00 0.00 C ATOM 393 CG PRO A 39 16.802 6.797 -8.194 1.00 0.00 C ATOM 394 CD PRO A 39 17.178 5.936 -7.018 1.00 0.00 C ATOM 0 HA PRO A 39 14.211 6.977 -6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.948 7.758 -8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.739 8.420 -7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.659 6.192 -9.089 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.590 7.516 -8.418 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.701 5.032 -7.331 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.837 6.463 -6.327 1.00 0.00 H new ATOM 402 N VAL A 40 14.273 4.796 -8.590 1.00 0.00 N ATOM 403 CA VAL A 40 13.344 3.954 -9.399 1.00 0.00 C ATOM 404 C VAL A 40 12.407 3.177 -8.479 1.00 0.00 C ATOM 405 O VAL A 40 11.228 3.049 -8.734 1.00 0.00 O ATOM 406 CB VAL A 40 14.252 2.993 -10.163 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.842 1.964 -9.195 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.441 2.270 -11.242 1.00 0.00 C ATOM 0 H VAL A 40 15.266 4.636 -8.760 1.00 0.00 H new ATOM 0 HA VAL A 40 12.720 4.548 -10.066 1.00 0.00 H new ATOM 0 HB VAL A 40 15.060 3.556 -10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.490 1.279 -9.742 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.422 2.477 -8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.035 1.402 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.090 1.584 -11.787 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.632 1.709 -10.774 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.023 3.001 -11.934 1.00 0.00 H new ATOM 418 N ARG A 41 12.933 2.646 -7.414 1.00 0.00 N ATOM 419 CA ARG A 41 12.097 1.864 -6.471 1.00 0.00 C ATOM 420 C ARG A 41 11.098 2.765 -5.757 1.00 0.00 C ATOM 421 O ARG A 41 9.975 2.385 -5.512 1.00 0.00 O ATOM 422 CB ARG A 41 13.098 1.303 -5.479 1.00 0.00 C ATOM 423 CG ARG A 41 13.251 -0.194 -5.707 1.00 0.00 C ATOM 424 CD ARG A 41 12.991 -0.918 -4.395 1.00 0.00 C ATOM 425 NE ARG A 41 14.324 -1.030 -3.750 1.00 0.00 N ATOM 426 CZ ARG A 41 14.894 -2.196 -3.623 1.00 0.00 C ATOM 427 NH1 ARG A 41 15.585 -2.694 -4.612 1.00 0.00 N ATOM 428 NH2 ARG A 41 14.775 -2.860 -2.506 1.00 0.00 N ATOM 0 H ARG A 41 13.917 2.722 -7.155 1.00 0.00 H new ATOM 0 HA ARG A 41 11.512 1.093 -6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.061 1.800 -5.597 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.763 1.494 -4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.551 -0.533 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.253 -0.420 -6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.294 -0.362 -3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.551 -1.900 -4.566 1.00 0.00 H new ATOM 0 HE ARG A 41 14.795 -0.193 -3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.679 -2.171 -5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.031 -3.606 -4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.237 -2.467 -1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.220 -3.772 -2.405 1.00 0.00 H new ATOM 442 N LEU A 42 11.496 3.952 -5.415 1.00 0.00 N ATOM 443 CA LEU A 42 10.554 4.861 -4.719 1.00 0.00 C ATOM 444 C LEU A 42 9.518 5.372 -5.717 1.00 0.00 C ATOM 445 O LEU A 42 8.440 5.794 -5.352 1.00 0.00 O ATOM 446 CB LEU A 42 11.421 5.992 -4.187 1.00 0.00 C ATOM 447 CG LEU A 42 12.335 5.445 -3.091 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.659 6.207 -3.121 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.659 5.634 -1.727 1.00 0.00 C ATOM 0 H LEU A 42 12.427 4.331 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 42 10.005 4.376 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.015 6.422 -4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.795 6.792 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 42 12.521 4.384 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.318 5.823 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.133 6.075 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.473 7.267 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.308 5.245 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.477 6.695 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.711 5.097 -1.713 1.00 0.00 H new ATOM 461 N ALA A 43 9.833 5.316 -6.982 1.00 0.00 N ATOM 462 CA ALA A 43 8.854 5.772 -8.008 1.00 0.00 C ATOM 463 C ALA A 43 7.811 4.674 -8.231 1.00 0.00 C ATOM 464 O ALA A 43 6.621 4.893 -8.095 1.00 0.00 O ATOM 465 CB ALA A 43 9.675 6.001 -9.274 1.00 0.00 C ATOM 0 H ALA A 43 10.722 4.976 -7.348 1.00 0.00 H new ATOM 0 HA ALA A 43 8.322 6.676 -7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.020 6.339 -10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.435 6.758 -9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.157 5.069 -9.568 1.00 0.00 H new ATOM 471 N GLU A 44 8.248 3.483 -8.549 1.00 0.00 N ATOM 472 CA GLU A 44 7.281 2.369 -8.753 1.00 0.00 C ATOM 473 C GLU A 44 6.535 2.124 -7.441 1.00 0.00 C ATOM 474 O GLU A 44 5.353 1.838 -7.420 1.00 0.00 O ATOM 475 CB GLU A 44 8.139 1.159 -9.129 1.00 0.00 C ATOM 476 CG GLU A 44 8.759 1.381 -10.512 1.00 0.00 C ATOM 477 CD GLU A 44 8.291 0.277 -11.465 1.00 0.00 C ATOM 478 OE1 GLU A 44 7.982 -0.801 -10.987 1.00 0.00 O ATOM 479 OE2 GLU A 44 8.249 0.531 -12.659 1.00 0.00 O ATOM 0 H GLU A 44 9.230 3.236 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 44 6.539 2.578 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.923 1.012 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.530 0.255 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.469 2.358 -10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.847 1.377 -10.440 1.00 0.00 H new ATOM 486 N LEU A 45 7.223 2.268 -6.342 1.00 0.00 N ATOM 487 CA LEU A 45 6.568 2.079 -5.022 1.00 0.00 C ATOM 488 C LEU A 45 5.498 3.147 -4.858 1.00 0.00 C ATOM 489 O LEU A 45 4.352 2.854 -4.613 1.00 0.00 O ATOM 490 CB LEU A 45 7.685 2.267 -3.994 1.00 0.00 C ATOM 491 CG LEU A 45 7.093 2.666 -2.639 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.332 1.484 -2.029 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.224 3.072 -1.705 1.00 0.00 C ATOM 0 H LEU A 45 8.213 2.509 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 45 6.090 1.106 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.255 1.344 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.379 3.034 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 45 6.404 3.499 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.915 1.778 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.525 1.187 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.014 0.646 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.812 3.358 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.907 2.233 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.764 3.917 -2.133 1.00 0.00 H new ATOM 505 N HIS A 46 5.868 4.389 -5.009 1.00 0.00 N ATOM 506 CA HIS A 46 4.863 5.474 -4.881 1.00 0.00 C ATOM 507 C HIS A 46 3.696 5.161 -5.807 1.00 0.00 C ATOM 508 O HIS A 46 2.561 5.474 -5.523 1.00 0.00 O ATOM 509 CB HIS A 46 5.577 6.749 -5.324 1.00 0.00 C ATOM 510 CG HIS A 46 4.762 7.938 -4.896 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.671 8.391 -5.623 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.859 8.768 -3.807 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.159 9.448 -4.966 1.00 0.00 C ATOM 514 NE2 HIS A 46 3.846 9.721 -3.853 1.00 0.00 N ATOM 0 H HIS A 46 6.819 4.696 -5.214 1.00 0.00 H new ATOM 0 HA HIS A 46 4.474 5.578 -3.868 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.573 6.796 -4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.707 6.751 -6.406 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.608 8.693 -3.032 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.297 10.008 -5.298 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.667 10.467 -3.181 1.00 0.00 H new ATOM 522 N ALA A 47 3.973 4.524 -6.911 1.00 0.00 N ATOM 523 CA ALA A 47 2.881 4.165 -7.852 1.00 0.00 C ATOM 524 C ALA A 47 1.980 3.117 -7.197 1.00 0.00 C ATOM 525 O ALA A 47 0.771 3.159 -7.312 1.00 0.00 O ATOM 526 CB ALA A 47 3.586 3.576 -9.073 1.00 0.00 C ATOM 0 H ALA A 47 4.908 4.238 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 47 2.257 5.017 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.844 3.285 -9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.256 4.322 -9.501 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.162 2.700 -8.773 1.00 0.00 H new ATOM 532 N ASP A 48 2.568 2.175 -6.506 1.00 0.00 N ATOM 533 CA ASP A 48 1.754 1.120 -5.837 1.00 0.00 C ATOM 534 C ASP A 48 1.013 1.701 -4.629 1.00 0.00 C ATOM 535 O ASP A 48 -0.041 1.228 -4.254 1.00 0.00 O ATOM 536 CB ASP A 48 2.759 0.061 -5.392 1.00 0.00 C ATOM 537 CG ASP A 48 3.530 -0.452 -6.608 1.00 0.00 C ATOM 538 OD1 ASP A 48 3.026 -0.306 -7.710 1.00 0.00 O ATOM 539 OD2 ASP A 48 4.611 -0.983 -6.418 1.00 0.00 O ATOM 0 H ASP A 48 3.576 2.092 -6.377 1.00 0.00 H new ATOM 0 HA ASP A 48 0.996 0.706 -6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.449 0.483 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.242 -0.764 -4.902 1.00 0.00 H new ATOM 544 N LEU A 49 1.546 2.728 -4.022 1.00 0.00 N ATOM 545 CA LEU A 49 0.862 3.341 -2.858 1.00 0.00 C ATOM 546 C LEU A 49 -0.298 4.178 -3.362 1.00 0.00 C ATOM 547 O LEU A 49 -1.350 4.223 -2.763 1.00 0.00 O ATOM 548 CB LEU A 49 1.919 4.224 -2.209 1.00 0.00 C ATOM 549 CG LEU A 49 3.082 3.349 -1.762 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.116 4.207 -1.036 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.547 2.265 -0.826 1.00 0.00 C ATOM 0 H LEU A 49 2.428 3.166 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 49 0.464 2.610 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.265 4.980 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.496 4.754 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 49 3.557 2.884 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.949 3.580 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.483 4.982 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.656 4.672 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.369 1.630 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.080 2.731 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.810 1.660 -1.354 1.00 0.00 H new ATOM 563 N LYS A 50 -0.112 4.832 -4.475 1.00 0.00 N ATOM 564 CA LYS A 50 -1.208 5.654 -5.035 1.00 0.00 C ATOM 565 C LYS A 50 -2.329 4.724 -5.488 1.00 0.00 C ATOM 566 O LYS A 50 -3.476 4.911 -5.150 1.00 0.00 O ATOM 567 CB LYS A 50 -0.599 6.396 -6.225 1.00 0.00 C ATOM 568 CG LYS A 50 0.321 7.515 -5.726 1.00 0.00 C ATOM 569 CD LYS A 50 -0.408 8.365 -4.682 1.00 0.00 C ATOM 570 CE LYS A 50 -1.785 8.775 -5.215 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.856 10.248 -5.002 1.00 0.00 N ATOM 0 H LYS A 50 0.752 4.830 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.626 6.357 -4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.036 5.701 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.390 6.814 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.225 7.088 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.634 8.140 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.520 7.802 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.180 9.252 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.891 8.523 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.584 8.260 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.772 10.604 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.759 10.457 -3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.087 10.712 -5.527 1.00 0.00 H new ATOM 585 N ILE A 51 -2.000 3.704 -6.234 1.00 0.00 N ATOM 586 CA ILE A 51 -3.046 2.748 -6.679 1.00 0.00 C ATOM 587 C ILE A 51 -3.716 2.138 -5.451 1.00 0.00 C ATOM 588 O ILE A 51 -4.927 2.036 -5.369 1.00 0.00 O ATOM 589 CB ILE A 51 -2.295 1.676 -7.466 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.778 2.267 -8.781 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.238 0.512 -7.768 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.891 3.063 -9.462 1.00 0.00 C ATOM 0 H ILE A 51 -1.054 3.494 -6.552 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.822 3.218 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.452 1.319 -6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.921 2.913 -8.588 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.434 1.469 -9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.703 -0.254 -8.330 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.603 0.087 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.082 0.871 -8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.519 3.482 -10.397 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.735 2.405 -9.669 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.214 3.871 -8.806 1.00 0.00 H new ATOM 604 N GLN A 52 -2.933 1.744 -4.481 1.00 0.00 N ATOM 605 CA GLN A 52 -3.522 1.155 -3.255 1.00 0.00 C ATOM 606 C GLN A 52 -4.314 2.228 -2.511 1.00 0.00 C ATOM 607 O GLN A 52 -5.232 1.936 -1.773 1.00 0.00 O ATOM 608 CB GLN A 52 -2.325 0.687 -2.424 1.00 0.00 C ATOM 609 CG GLN A 52 -2.819 0.089 -1.106 1.00 0.00 C ATOM 610 CD GLN A 52 -3.763 -1.077 -1.399 1.00 0.00 C ATOM 611 OE1 GLN A 52 -3.741 -1.634 -2.479 1.00 0.00 O ATOM 612 NE2 GLN A 52 -4.597 -1.474 -0.479 1.00 0.00 N ATOM 0 H GLN A 52 -1.915 1.807 -4.490 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.206 0.333 -3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.751 -0.055 -2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.656 1.525 -2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.973 -0.254 -0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.334 0.850 -0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.616 -1.007 0.428 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.230 -2.251 -0.666 1.00 0.00 H new ATOM 621 N GLU A 53 -3.975 3.474 -2.707 1.00 0.00 N ATOM 622 CA GLU A 53 -4.723 4.556 -2.019 1.00 0.00 C ATOM 623 C GLU A 53 -6.106 4.690 -2.650 1.00 0.00 C ATOM 624 O GLU A 53 -7.107 4.493 -2.004 1.00 0.00 O ATOM 625 CB GLU A 53 -3.888 5.818 -2.236 1.00 0.00 C ATOM 626 CG GLU A 53 -4.180 6.827 -1.126 1.00 0.00 C ATOM 627 CD GLU A 53 -4.854 8.061 -1.726 1.00 0.00 C ATOM 628 OE1 GLU A 53 -4.503 8.422 -2.836 1.00 0.00 O ATOM 629 OE2 GLU A 53 -5.712 8.623 -1.067 1.00 0.00 O ATOM 0 H GLU A 53 -3.215 3.785 -3.312 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.873 4.364 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.827 5.567 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.118 6.255 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.825 6.377 -0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.255 7.112 -0.626 1.00 0.00 H new ATOM 636 N ARG A 54 -6.167 4.997 -3.916 1.00 0.00 N ATOM 637 CA ARG A 54 -7.492 5.115 -4.588 1.00 0.00 C ATOM 638 C ARG A 54 -8.293 3.835 -4.348 1.00 0.00 C ATOM 639 O ARG A 54 -9.500 3.860 -4.206 1.00 0.00 O ATOM 640 CB ARG A 54 -7.165 5.285 -6.076 1.00 0.00 C ATOM 641 CG ARG A 54 -8.459 5.387 -6.886 1.00 0.00 C ATOM 642 CD ARG A 54 -8.322 6.506 -7.923 1.00 0.00 C ATOM 643 NE ARG A 54 -7.250 6.047 -8.850 1.00 0.00 N ATOM 644 CZ ARG A 54 -7.552 5.342 -9.910 1.00 0.00 C ATOM 645 NH1 ARG A 54 -8.759 4.870 -10.064 1.00 0.00 N ATOM 646 NH2 ARG A 54 -6.641 5.110 -10.817 1.00 0.00 N ATOM 0 H ARG A 54 -5.359 5.171 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.089 5.946 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.561 6.180 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.573 4.440 -6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.666 4.439 -7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.301 5.590 -6.224 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.260 6.668 -8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.056 7.451 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.277 6.283 -8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.471 5.050 -9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.990 4.321 -10.892 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.697 5.478 -10.698 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.873 4.561 -11.644 1.00 0.00 H new ATOM 660 N ASP A 55 -7.623 2.714 -4.293 1.00 0.00 N ATOM 661 CA ASP A 55 -8.334 1.426 -4.056 1.00 0.00 C ATOM 662 C ASP A 55 -8.764 1.313 -2.592 1.00 0.00 C ATOM 663 O ASP A 55 -9.750 0.681 -2.277 1.00 0.00 O ATOM 664 CB ASP A 55 -7.306 0.343 -4.382 1.00 0.00 C ATOM 665 CG ASP A 55 -7.119 0.249 -5.898 1.00 0.00 C ATOM 666 OD1 ASP A 55 -8.118 0.234 -6.598 1.00 0.00 O ATOM 667 OD2 ASP A 55 -5.980 0.189 -6.331 1.00 0.00 O ATOM 0 H ASP A 55 -6.612 2.636 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.236 1.341 -4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.355 0.574 -3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.637 -0.617 -3.986 1.00 0.00 H new ATOM 672 N GLU A 56 -8.019 1.905 -1.693 1.00 0.00 N ATOM 673 CA GLU A 56 -8.374 1.810 -0.245 1.00 0.00 C ATOM 674 C GLU A 56 -9.478 2.805 0.126 1.00 0.00 C ATOM 675 O GLU A 56 -10.268 2.550 1.011 1.00 0.00 O ATOM 676 CB GLU A 56 -7.084 2.135 0.509 1.00 0.00 C ATOM 677 CG GLU A 56 -6.231 0.870 0.646 1.00 0.00 C ATOM 678 CD GLU A 56 -5.039 1.157 1.561 1.00 0.00 C ATOM 679 OE1 GLU A 56 -4.648 2.309 1.647 1.00 0.00 O ATOM 680 OE2 GLU A 56 -4.537 0.220 2.158 1.00 0.00 O ATOM 0 H GLU A 56 -7.181 2.449 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.759 0.821 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.526 2.906 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.319 2.535 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.830 0.057 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.881 0.546 -0.334 1.00 0.00 H new ATOM 687 N LEU A 57 -9.561 3.922 -0.543 1.00 0.00 N ATOM 688 CA LEU A 57 -10.645 4.888 -0.218 1.00 0.00 C ATOM 689 C LEU A 57 -11.879 4.451 -0.987 1.00 0.00 C ATOM 690 O LEU A 57 -12.961 4.323 -0.446 1.00 0.00 O ATOM 691 CB LEU A 57 -10.168 6.258 -0.706 1.00 0.00 C ATOM 692 CG LEU A 57 -8.705 6.474 -0.320 1.00 0.00 C ATOM 693 CD1 LEU A 57 -7.915 6.861 -1.568 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.610 7.600 0.711 1.00 0.00 C ATOM 0 H LEU A 57 -8.931 4.205 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.877 4.931 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.280 6.326 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.787 7.043 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.297 5.558 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.869 7.017 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.987 6.062 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.324 7.780 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.567 7.754 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.012 8.519 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.183 7.330 1.598 1.00 0.00 H new ATOM 706 N ALA A 58 -11.704 4.180 -2.250 1.00 0.00 N ATOM 707 CA ALA A 58 -12.847 3.703 -3.065 1.00 0.00 C ATOM 708 C ALA A 58 -13.391 2.432 -2.417 1.00 0.00 C ATOM 709 O ALA A 58 -14.586 2.263 -2.235 1.00 0.00 O ATOM 710 CB ALA A 58 -12.256 3.408 -4.445 1.00 0.00 C ATOM 0 H ALA A 58 -10.819 4.269 -2.749 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.664 4.421 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.043 3.049 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.822 4.319 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.482 2.646 -4.354 1.00 0.00 H new ATOM 716 N TRP A 59 -12.517 1.542 -2.028 1.00 0.00 N ATOM 717 CA TRP A 59 -12.995 0.312 -1.365 1.00 0.00 C ATOM 718 C TRP A 59 -13.615 0.685 -0.018 1.00 0.00 C ATOM 719 O TRP A 59 -14.678 0.228 0.335 1.00 0.00 O ATOM 720 CB TRP A 59 -11.766 -0.564 -1.148 1.00 0.00 C ATOM 721 CG TRP A 59 -12.134 -1.605 -0.156 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.759 -2.764 -0.447 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.958 -1.574 1.283 1.00 0.00 C ATOM 724 NE1 TRP A 59 -12.982 -3.455 0.726 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.493 -2.765 1.825 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.381 -0.636 2.162 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.461 -3.017 3.196 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.348 -0.885 3.541 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.886 -2.075 4.057 1.00 0.00 C ATOM 0 H TRP A 59 -11.506 1.619 -2.142 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.745 -0.208 -1.960 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.450 -1.022 -2.086 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.928 0.032 -0.786 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.039 -3.097 -1.436 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.448 -4.361 0.778 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.962 0.280 1.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.877 -3.932 3.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.907 -0.159 4.209 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.856 -2.264 5.120 1.00 0.00 H new ATOM 740 N LYS A 60 -12.962 1.514 0.743 1.00 0.00 N ATOM 741 CA LYS A 60 -13.549 1.893 2.050 1.00 0.00 C ATOM 742 C LYS A 60 -15.002 2.288 1.813 1.00 0.00 C ATOM 743 O LYS A 60 -15.878 1.977 2.595 1.00 0.00 O ATOM 744 CB LYS A 60 -12.707 3.058 2.563 1.00 0.00 C ATOM 745 CG LYS A 60 -11.690 2.512 3.569 1.00 0.00 C ATOM 746 CD LYS A 60 -10.444 3.393 3.579 1.00 0.00 C ATOM 747 CE LYS A 60 -10.593 4.446 4.671 1.00 0.00 C ATOM 748 NZ LYS A 60 -9.829 3.911 5.834 1.00 0.00 N ATOM 0 H LYS A 60 -12.062 1.939 0.520 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.543 1.089 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.196 3.550 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.343 3.807 3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.132 2.481 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.420 1.489 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.556 2.787 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.313 3.872 2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.196 5.408 4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.641 4.603 4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.075 4.450 6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.069 2.909 5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.809 4.000 5.650 1.00 0.00 H new ATOM 762 N LYS A 61 -15.276 2.908 0.694 1.00 0.00 N ATOM 763 CA LYS A 61 -16.687 3.241 0.379 1.00 0.00 C ATOM 764 C LYS A 61 -17.416 1.916 0.184 1.00 0.00 C ATOM 765 O LYS A 61 -18.487 1.690 0.709 1.00 0.00 O ATOM 766 CB LYS A 61 -16.644 4.044 -0.923 1.00 0.00 C ATOM 767 CG LYS A 61 -18.061 4.482 -1.298 1.00 0.00 C ATOM 768 CD LYS A 61 -18.340 5.866 -0.710 1.00 0.00 C ATOM 769 CE LYS A 61 -19.766 5.906 -0.156 1.00 0.00 C ATOM 770 NZ LYS A 61 -20.418 7.049 -0.854 1.00 0.00 N ATOM 0 H LYS A 61 -14.589 3.193 -0.004 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.194 3.816 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.002 4.916 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.215 3.439 -1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.170 4.507 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -18.787 3.762 -0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.624 6.088 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.214 6.631 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.292 4.972 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.766 6.051 0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.401 7.141 -0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.900 7.926 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.409 6.880 -1.880 1.00 0.00 H new ATOM 784 N LEU A 62 -16.803 1.020 -0.550 1.00 0.00 N ATOM 785 CA LEU A 62 -17.413 -0.327 -0.760 1.00 0.00 C ATOM 786 C LEU A 62 -17.732 -0.966 0.598 1.00 0.00 C ATOM 787 O LEU A 62 -18.868 -1.044 1.009 1.00 0.00 O ATOM 788 CB LEU A 62 -16.329 -1.147 -1.463 1.00 0.00 C ATOM 789 CG LEU A 62 -16.655 -1.299 -2.939 1.00 0.00 C ATOM 790 CD1 LEU A 62 -15.641 -0.503 -3.763 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.574 -2.781 -3.312 1.00 0.00 C ATOM 0 H LEU A 62 -15.906 1.165 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.337 -0.276 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.361 -0.659 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.249 -2.130 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.658 -0.924 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.871 -0.609 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.692 0.549 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -14.637 -0.882 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.806 -2.903 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.568 -3.151 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.291 -3.346 -2.716 1.00 0.00 H new ATOM 803 N LYS A 63 -16.717 -1.420 1.291 1.00 0.00 N ATOM 804 CA LYS A 63 -16.919 -2.055 2.628 1.00 0.00 C ATOM 805 C LYS A 63 -18.013 -1.325 3.412 1.00 0.00 C ATOM 806 O LYS A 63 -18.963 -1.922 3.876 1.00 0.00 O ATOM 807 CB LYS A 63 -15.568 -1.897 3.333 1.00 0.00 C ATOM 808 CG LYS A 63 -15.587 -2.629 4.677 1.00 0.00 C ATOM 809 CD LYS A 63 -16.336 -1.782 5.710 1.00 0.00 C ATOM 810 CE LYS A 63 -15.686 -1.961 7.087 1.00 0.00 C ATOM 811 NZ LYS A 63 -14.887 -0.722 7.301 1.00 0.00 N ATOM 0 H LYS A 63 -15.746 -1.377 0.982 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.232 -3.096 2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.772 -2.296 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.352 -0.840 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.071 -3.600 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.568 -2.817 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.314 -0.732 5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.384 -2.080 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.439 -2.084 7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.053 -2.848 7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.412 -0.771 8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.174 -0.634 6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.517 0.105 7.279 1.00 0.00 H new ATOM 825 N LEU A 64 -17.880 -0.037 3.567 1.00 0.00 N ATOM 826 CA LEU A 64 -18.905 0.733 4.326 1.00 0.00 C ATOM 827 C LEU A 64 -20.312 0.413 3.802 1.00 0.00 C ATOM 828 O LEU A 64 -21.227 0.179 4.565 1.00 0.00 O ATOM 829 CB LEU A 64 -18.549 2.202 4.086 1.00 0.00 C ATOM 830 CG LEU A 64 -17.295 2.557 4.890 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.605 3.773 4.266 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.692 2.883 6.333 1.00 0.00 C ATOM 0 H LEU A 64 -17.105 0.516 3.201 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.909 0.486 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.376 2.377 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.379 2.843 4.384 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.609 1.710 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.714 4.021 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.321 3.543 3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -17.289 4.622 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.801 3.136 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -18.380 3.729 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.178 2.017 6.781 1.00 0.00 H new ATOM 844 N ASP A 65 -20.490 0.400 2.509 1.00 0.00 N ATOM 845 CA ASP A 65 -21.837 0.092 1.942 1.00 0.00 C ATOM 846 C ASP A 65 -22.196 -1.379 2.182 1.00 0.00 C ATOM 847 O ASP A 65 -23.354 -1.743 2.243 1.00 0.00 O ATOM 848 CB ASP A 65 -21.709 0.367 0.443 1.00 0.00 C ATOM 849 CG ASP A 65 -21.835 1.869 0.183 1.00 0.00 C ATOM 850 OD1 ASP A 65 -21.853 2.618 1.147 1.00 0.00 O ATOM 851 OD2 ASP A 65 -21.910 2.245 -0.975 1.00 0.00 O ATOM 0 H ASP A 65 -19.762 0.589 1.820 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.621 0.691 2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.748 0.004 0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.483 -0.173 -0.103 1.00 0.00 H new ATOM 856 N GLY A 66 -21.213 -2.228 2.311 1.00 0.00 N ATOM 857 CA GLY A 66 -21.497 -3.673 2.540 1.00 0.00 C ATOM 858 C GLY A 66 -21.142 -4.465 1.280 1.00 0.00 C ATOM 859 O GLY A 66 -21.855 -5.365 0.879 1.00 0.00 O ATOM 0 H GLY A 66 -20.224 -1.983 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.919 -4.039 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.549 -3.814 2.787 1.00 0.00 H new ATOM 863 N LEU A 67 -20.049 -4.134 0.648 1.00 0.00 N ATOM 864 CA LEU A 67 -19.654 -4.863 -0.591 1.00 0.00 C ATOM 865 C LEU A 67 -18.594 -5.917 -0.278 1.00 0.00 C ATOM 866 O LEU A 67 -18.686 -7.051 -0.707 1.00 0.00 O ATOM 867 CB LEU A 67 -19.075 -3.788 -1.514 1.00 0.00 C ATOM 868 CG LEU A 67 -20.082 -2.636 -1.666 1.00 0.00 C ATOM 869 CD1 LEU A 67 -19.764 -1.838 -2.930 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.506 -3.194 -1.776 1.00 0.00 C ATOM 0 H LEU A 67 -19.413 -3.391 0.936 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.497 -5.386 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.137 -3.412 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.849 -4.217 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.010 -1.990 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.479 -1.022 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -18.756 -1.430 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -19.830 -2.492 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.212 -2.371 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.575 -3.847 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.745 -3.762 -0.877 1.00 0.00 H new ATOM 882 N ASP A 68 -17.582 -5.552 0.455 1.00 0.00 N ATOM 883 CA ASP A 68 -16.511 -6.532 0.779 1.00 0.00 C ATOM 884 C ASP A 68 -16.940 -7.441 1.933 1.00 0.00 C ATOM 885 O ASP A 68 -16.160 -8.224 2.437 1.00 0.00 O ATOM 886 CB ASP A 68 -15.298 -5.674 1.147 1.00 0.00 C ATOM 887 CG ASP A 68 -14.446 -6.350 2.228 1.00 0.00 C ATOM 888 OD1 ASP A 68 -13.957 -7.438 1.974 1.00 0.00 O ATOM 889 OD2 ASP A 68 -14.300 -5.767 3.290 1.00 0.00 O ATOM 0 H ASP A 68 -17.450 -4.618 0.844 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.289 -7.201 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.691 -5.499 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.633 -4.699 1.502 1.00 0.00 H new ATOM 894 N GLU A 69 -18.176 -7.364 2.343 1.00 0.00 N ATOM 895 CA GLU A 69 -18.642 -8.245 3.446 1.00 0.00 C ATOM 896 C GLU A 69 -18.093 -9.656 3.244 1.00 0.00 C ATOM 897 O GLU A 69 -17.901 -10.408 4.179 1.00 0.00 O ATOM 898 CB GLU A 69 -20.158 -8.244 3.318 1.00 0.00 C ATOM 899 CG GLU A 69 -20.562 -8.431 1.853 1.00 0.00 C ATOM 900 CD GLU A 69 -21.496 -9.636 1.734 1.00 0.00 C ATOM 901 OE1 GLU A 69 -22.525 -9.628 2.389 1.00 0.00 O ATOM 902 OE2 GLU A 69 -21.167 -10.544 0.991 1.00 0.00 O ATOM 0 H GLU A 69 -18.880 -6.731 1.963 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.311 -7.906 4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.583 -9.043 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.562 -7.306 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -21.059 -7.534 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -19.676 -8.581 1.236 1.00 0.00 H new ATOM 909 N ASP A 70 -17.839 -10.009 2.019 1.00 0.00 N ATOM 910 CA ASP A 70 -17.298 -11.367 1.721 1.00 0.00 C ATOM 911 C ASP A 70 -15.771 -11.373 1.864 1.00 0.00 C ATOM 912 O ASP A 70 -15.199 -12.272 2.448 1.00 0.00 O ATOM 913 CB ASP A 70 -17.705 -11.650 0.274 1.00 0.00 C ATOM 914 CG ASP A 70 -18.266 -13.069 0.169 1.00 0.00 C ATOM 915 OD1 ASP A 70 -17.485 -13.979 -0.056 1.00 0.00 O ATOM 916 OD2 ASP A 70 -19.467 -13.222 0.316 1.00 0.00 O ATOM 0 H ASP A 70 -17.983 -9.414 1.203 1.00 0.00 H new ATOM 0 HA ASP A 70 -17.683 -12.123 2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.453 -10.927 -0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.844 -11.538 -0.385 1.00 0.00 H new ATOM 921 N GLY A 71 -15.107 -10.377 1.340 1.00 0.00 N ATOM 922 CA GLY A 71 -13.619 -10.333 1.456 1.00 0.00 C ATOM 923 C GLY A 71 -12.986 -10.362 0.062 1.00 0.00 C ATOM 924 O GLY A 71 -11.855 -10.770 -0.105 1.00 0.00 O ATOM 0 H GLY A 71 -15.528 -9.595 0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.313 -9.430 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.266 -11.181 2.043 1.00 0.00 H new ATOM 928 N GLU A 72 -13.703 -9.932 -0.940 1.00 0.00 N ATOM 929 CA GLU A 72 -13.131 -9.939 -2.317 1.00 0.00 C ATOM 930 C GLU A 72 -12.521 -8.573 -2.642 1.00 0.00 C ATOM 931 O GLU A 72 -11.420 -8.480 -3.145 1.00 0.00 O ATOM 932 CB GLU A 72 -14.315 -10.235 -3.236 1.00 0.00 C ATOM 933 CG GLU A 72 -14.023 -11.498 -4.048 1.00 0.00 C ATOM 934 CD GLU A 72 -14.844 -12.661 -3.492 1.00 0.00 C ATOM 935 OE1 GLU A 72 -16.056 -12.622 -3.626 1.00 0.00 O ATOM 936 OE2 GLU A 72 -14.248 -13.571 -2.940 1.00 0.00 O ATOM 0 H GLU A 72 -14.656 -9.577 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.335 -10.675 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.222 -10.369 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.491 -9.392 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.269 -11.334 -5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.960 -11.735 -4.003 1.00 0.00 H new ATOM 943 N LYS A 73 -13.226 -7.515 -2.354 1.00 0.00 N ATOM 944 CA LYS A 73 -12.677 -6.160 -2.643 1.00 0.00 C ATOM 945 C LYS A 73 -11.541 -5.854 -1.666 1.00 0.00 C ATOM 946 O LYS A 73 -10.470 -5.430 -2.054 1.00 0.00 O ATOM 947 CB LYS A 73 -13.846 -5.192 -2.437 1.00 0.00 C ATOM 948 CG LYS A 73 -15.128 -5.772 -3.047 1.00 0.00 C ATOM 949 CD LYS A 73 -14.830 -6.372 -4.424 1.00 0.00 C ATOM 950 CE LYS A 73 -14.313 -5.277 -5.360 1.00 0.00 C ATOM 951 NZ LYS A 73 -15.427 -5.035 -6.319 1.00 0.00 N ATOM 0 H LYS A 73 -14.155 -7.529 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.272 -6.080 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.992 -5.008 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.618 -4.231 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.539 -6.538 -2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.883 -4.991 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.089 -7.166 -4.333 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.732 -6.823 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.063 -4.371 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.408 -5.595 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.149 -4.295 -6.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.638 -5.913 -6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.273 -4.727 -5.798 1.00 0.00 H new ATOM 965 N GLU A 74 -11.766 -6.076 -0.401 1.00 0.00 N ATOM 966 CA GLU A 74 -10.698 -5.814 0.604 1.00 0.00 C ATOM 967 C GLU A 74 -9.528 -6.771 0.368 1.00 0.00 C ATOM 968 O GLU A 74 -8.411 -6.516 0.775 1.00 0.00 O ATOM 969 CB GLU A 74 -11.353 -6.086 1.958 1.00 0.00 C ATOM 970 CG GLU A 74 -10.295 -6.024 3.061 1.00 0.00 C ATOM 971 CD GLU A 74 -9.843 -4.576 3.257 1.00 0.00 C ATOM 972 OE1 GLU A 74 -9.360 -3.992 2.301 1.00 0.00 O ATOM 973 OE2 GLU A 74 -9.989 -4.075 4.360 1.00 0.00 O ATOM 0 H GLU A 74 -12.644 -6.428 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.304 -4.800 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.136 -5.352 2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.830 -7.066 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.702 -6.418 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.442 -6.649 2.797 1.00 0.00 H new ATOM 980 N ALA A 75 -9.778 -7.871 -0.292 1.00 0.00 N ATOM 981 CA ALA A 75 -8.682 -8.845 -0.562 1.00 0.00 C ATOM 982 C ALA A 75 -7.680 -8.237 -1.546 1.00 0.00 C ATOM 983 O ALA A 75 -6.483 -8.340 -1.368 1.00 0.00 O ATOM 984 CB ALA A 75 -9.374 -10.060 -1.183 1.00 0.00 C ATOM 0 H ALA A 75 -10.693 -8.136 -0.655 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.129 -9.111 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.631 -10.825 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.104 -10.462 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.880 -9.761 -2.101 1.00 0.00 H new ATOM 990 N ARG A 76 -8.159 -7.598 -2.579 1.00 0.00 N ATOM 991 CA ARG A 76 -7.225 -6.980 -3.561 1.00 0.00 C ATOM 992 C ARG A 76 -6.313 -5.982 -2.848 1.00 0.00 C ATOM 993 O ARG A 76 -5.171 -5.792 -3.218 1.00 0.00 O ATOM 994 CB ARG A 76 -8.120 -6.263 -4.573 1.00 0.00 C ATOM 995 CG ARG A 76 -7.246 -5.581 -5.628 1.00 0.00 C ATOM 996 CD ARG A 76 -8.105 -5.168 -6.824 1.00 0.00 C ATOM 997 NE ARG A 76 -8.776 -6.421 -7.270 1.00 0.00 N ATOM 998 CZ ARG A 76 -9.714 -6.373 -8.176 1.00 0.00 C ATOM 999 NH1 ARG A 76 -9.725 -5.405 -9.051 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -10.639 -7.293 -8.208 1.00 0.00 N ATOM 0 H ARG A 76 -9.151 -7.478 -2.784 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.584 -7.717 -4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.794 -6.975 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.742 -5.525 -4.067 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.759 -4.705 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.456 -6.259 -5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.835 -4.409 -6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.494 -4.743 -7.620 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.502 -7.317 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.001 -4.687 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.458 -5.366 -9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.629 -8.050 -7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.372 -7.255 -8.916 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.809 -5.345 -1.822 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.971 -4.361 -1.079 1.00 0.00 C ATOM 1016 C LEU A 77 -4.890 -5.093 -0.285 1.00 0.00 C ATOM 1017 O LEU A 77 -3.759 -4.656 -0.200 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.942 -3.644 -0.135 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.909 -2.797 -0.959 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.055 -2.300 -0.075 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.173 -1.597 -1.549 1.00 0.00 C ATOM 0 H LEU A 77 -7.758 -5.463 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.462 -3.662 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.493 -4.372 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.391 -3.013 0.563 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.313 -3.410 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.739 -1.697 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.591 -3.154 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.652 -1.695 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.868 -0.996 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.761 -0.991 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.364 -1.946 -2.191 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.232 -6.209 0.293 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.229 -6.982 1.081 1.00 0.00 C ATOM 1035 C ILE A 78 -3.134 -7.518 0.155 1.00 0.00 C ATOM 1036 O ILE A 78 -1.962 -7.468 0.468 1.00 0.00 O ATOM 1037 CB ILE A 78 -5.020 -8.132 1.704 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.991 -7.573 2.746 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -4.057 -9.111 2.381 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.799 -8.716 3.359 1.00 0.00 C ATOM 0 H ILE A 78 -6.164 -6.621 0.255 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.734 -6.373 1.837 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.577 -8.653 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.440 -7.045 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.661 -6.849 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.623 -9.930 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.363 -9.509 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.499 -8.592 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.490 -8.316 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.362 -9.225 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.122 -9.424 3.838 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.509 -8.027 -0.988 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.490 -8.561 -1.935 1.00 0.00 C ATOM 1054 C ARG A 79 -1.669 -7.408 -2.516 1.00 0.00 C ATOM 1055 O ARG A 79 -0.476 -7.522 -2.705 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.294 -9.261 -3.030 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.697 -10.642 -3.298 1.00 0.00 C ATOM 1058 CD ARG A 79 -1.886 -10.603 -4.593 1.00 0.00 C ATOM 1059 NE ARG A 79 -1.554 -12.026 -4.880 1.00 0.00 N ATOM 1060 CZ ARG A 79 -0.909 -12.340 -5.971 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -1.438 -12.088 -7.136 1.00 0.00 N ATOM 1062 NH2 ARG A 79 0.265 -12.907 -5.894 1.00 0.00 N ATOM 0 H ARG A 79 -4.476 -8.096 -1.306 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.788 -9.243 -1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.336 -9.357 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.282 -8.665 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.060 -10.942 -2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.491 -11.385 -3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.461 -10.160 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.984 -10.003 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.831 -12.756 -4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.355 -11.646 -7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.934 -12.333 -7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.677 -13.104 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.770 -13.153 -6.746 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.291 -6.289 -2.782 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.523 -5.129 -3.321 1.00 0.00 C ATOM 1078 C ASN A 80 -0.484 -4.718 -2.280 1.00 0.00 C ATOM 1079 O ASN A 80 0.668 -4.461 -2.586 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.557 -4.020 -3.523 1.00 0.00 C ATOM 1081 CG ASN A 80 -3.169 -4.135 -4.921 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -3.547 -5.207 -5.348 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.284 -3.063 -5.657 1.00 0.00 N ATOM 0 H ASN A 80 -3.290 -6.129 -2.650 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.001 -5.350 -4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.338 -4.095 -2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.087 -3.044 -3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.691 -3.126 -6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.967 -2.162 -5.299 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.879 -4.685 -1.040 1.00 0.00 N ATOM 1091 CA LEU A 81 0.086 -4.330 0.027 1.00 0.00 C ATOM 1092 C LEU A 81 1.220 -5.351 0.005 1.00 0.00 C ATOM 1093 O LEU A 81 2.345 -5.030 -0.285 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.701 -4.426 1.334 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.459 -3.167 2.172 1.00 0.00 C ATOM 1096 CD1 LEU A 81 1.041 -2.875 2.238 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.183 -1.983 1.526 1.00 0.00 C ATOM 0 H LEU A 81 -1.827 -4.888 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 81 0.518 -3.337 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.765 -4.536 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.394 -5.311 1.891 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.840 -3.322 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.211 -1.979 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.556 -3.719 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.426 -2.719 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.013 -1.085 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.800 -1.829 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.252 -2.191 1.481 1.00 0.00 H new ATOM 1109 N ASN A 82 0.922 -6.587 0.289 1.00 0.00 N ATOM 1110 CA ASN A 82 1.981 -7.637 0.267 1.00 0.00 C ATOM 1111 C ASN A 82 2.867 -7.474 -0.971 1.00 0.00 C ATOM 1112 O ASN A 82 4.056 -7.720 -0.934 1.00 0.00 O ATOM 1113 CB ASN A 82 1.211 -8.954 0.201 1.00 0.00 C ATOM 1114 CG ASN A 82 1.206 -9.618 1.576 1.00 0.00 C ATOM 1115 OD1 ASN A 82 2.242 -9.787 2.188 1.00 0.00 O ATOM 1116 ND2 ASN A 82 0.072 -10.007 2.090 1.00 0.00 N ATOM 0 H ASN A 82 -0.011 -6.918 0.536 1.00 0.00 H new ATOM 0 HA ASN A 82 2.639 -7.583 1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.188 -8.772 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.669 -9.618 -0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.054 -10.454 3.007 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.797 -9.864 1.575 1.00 0.00 H new ATOM 1123 N VAL A 83 2.296 -7.057 -2.064 1.00 0.00 N ATOM 1124 CA VAL A 83 3.100 -6.875 -3.303 1.00 0.00 C ATOM 1125 C VAL A 83 4.127 -5.763 -3.081 1.00 0.00 C ATOM 1126 O VAL A 83 5.301 -5.923 -3.355 1.00 0.00 O ATOM 1127 CB VAL A 83 2.074 -6.494 -4.374 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.757 -5.752 -5.522 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.412 -7.766 -4.907 1.00 0.00 C ATOM 0 H VAL A 83 1.305 -6.834 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 83 3.661 -7.763 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 83 1.321 -5.840 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.016 -5.487 -6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.227 -4.845 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.516 -6.393 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.680 -7.503 -5.670 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.171 -8.417 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.913 -8.286 -4.090 1.00 0.00 H new ATOM 1139 N ILE A 84 3.700 -4.647 -2.559 1.00 0.00 N ATOM 1140 CA ILE A 84 4.662 -3.539 -2.293 1.00 0.00 C ATOM 1141 C ILE A 84 5.638 -3.988 -1.202 1.00 0.00 C ATOM 1142 O ILE A 84 6.836 -3.943 -1.371 1.00 0.00 O ATOM 1143 CB ILE A 84 3.791 -2.372 -1.823 1.00 0.00 C ATOM 1144 CG1 ILE A 84 2.989 -1.844 -3.012 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.665 -1.248 -1.262 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.642 -1.314 -2.526 1.00 0.00 C ATOM 0 H ILE A 84 2.731 -4.454 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 84 5.257 -3.257 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 84 3.119 -2.719 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.543 -1.051 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.837 -2.639 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.031 -0.425 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.242 -1.623 -0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.345 -0.894 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.071 -0.938 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.087 -2.119 -2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.805 -0.507 -1.812 1.00 0.00 H new ATOM 1158 N LEU A 85 5.126 -4.453 -0.095 1.00 0.00 N ATOM 1159 CA LEU A 85 6.011 -4.940 0.995 1.00 0.00 C ATOM 1160 C LEU A 85 6.883 -6.073 0.461 1.00 0.00 C ATOM 1161 O LEU A 85 7.909 -6.403 1.021 1.00 0.00 O ATOM 1162 CB LEU A 85 5.051 -5.451 2.069 1.00 0.00 C ATOM 1163 CG LEU A 85 4.142 -4.307 2.505 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.297 -4.744 3.704 1.00 0.00 C ATOM 1165 CD2 LEU A 85 4.996 -3.103 2.893 1.00 0.00 C ATOM 0 H LEU A 85 4.127 -4.516 0.100 1.00 0.00 H new ATOM 0 HA LEU A 85 6.679 -4.172 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.456 -6.278 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.610 -5.834 2.923 1.00 0.00 H new ATOM 0 HG LEU A 85 3.481 -4.037 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.649 -3.923 4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.686 -5.603 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.953 -5.018 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.349 -2.283 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.658 -3.376 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.592 -2.789 2.036 1.00 0.00 H new ATOM 1177 N ALA A 86 6.484 -6.665 -0.631 1.00 0.00 N ATOM 1178 CA ALA A 86 7.293 -7.767 -1.222 1.00 0.00 C ATOM 1179 C ALA A 86 8.353 -7.173 -2.151 1.00 0.00 C ATOM 1180 O ALA A 86 9.422 -7.723 -2.330 1.00 0.00 O ATOM 1181 CB ALA A 86 6.296 -8.614 -2.012 1.00 0.00 C ATOM 0 H ALA A 86 5.631 -6.432 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 86 7.813 -8.361 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.818 -9.449 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.529 -8.996 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.829 -8.001 -2.783 1.00 0.00 H new ATOM 1187 N LYS A 87 8.062 -6.043 -2.738 1.00 0.00 N ATOM 1188 CA LYS A 87 9.045 -5.392 -3.652 1.00 0.00 C ATOM 1189 C LYS A 87 9.974 -4.476 -2.861 1.00 0.00 C ATOM 1190 O LYS A 87 10.984 -4.016 -3.356 1.00 0.00 O ATOM 1191 CB LYS A 87 8.199 -4.546 -4.598 1.00 0.00 C ATOM 1192 CG LYS A 87 9.098 -3.957 -5.683 1.00 0.00 C ATOM 1193 CD LYS A 87 8.262 -3.113 -6.645 1.00 0.00 C ATOM 1194 CE LYS A 87 8.364 -3.690 -8.057 1.00 0.00 C ATOM 1195 NZ LYS A 87 6.958 -3.769 -8.540 1.00 0.00 N ATOM 0 H LYS A 87 7.182 -5.541 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 87 9.661 -6.125 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.416 -5.156 -5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.703 -3.747 -4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.877 -3.344 -5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.599 -4.757 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.221 -3.099 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.612 -2.081 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.968 -3.052 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.835 -4.673 -8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.944 -4.156 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.409 -4.388 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.538 -2.818 -8.543 1.00 0.00 H new ATOM 1209 N TYR A 88 9.622 -4.186 -1.645 1.00 0.00 N ATOM 1210 CA TYR A 88 10.459 -3.274 -0.822 1.00 0.00 C ATOM 1211 C TYR A 88 10.682 -3.860 0.567 1.00 0.00 C ATOM 1212 O TYR A 88 11.372 -3.286 1.384 1.00 0.00 O ATOM 1213 CB TYR A 88 9.635 -1.990 -0.711 1.00 0.00 C ATOM 1214 CG TYR A 88 9.061 -1.629 -2.055 1.00 0.00 C ATOM 1215 CD1 TYR A 88 9.919 -1.287 -3.100 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.674 -1.630 -2.252 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.400 -0.944 -4.349 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.149 -1.289 -3.506 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.012 -0.946 -4.555 1.00 0.00 C ATOM 1220 OH TYR A 88 7.495 -0.604 -5.789 1.00 0.00 O ATOM 0 H TYR A 88 8.786 -4.543 -1.182 1.00 0.00 H new ATOM 0 HA TYR A 88 11.442 -3.111 -1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.831 -2.125 0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.261 -1.177 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.987 -1.288 -2.942 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.012 -1.893 -1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.066 -0.677 -5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.081 -1.291 -3.663 1.00 0.00 H new ATOM 0 HH TYR A 88 6.535 -0.801 -5.808 1.00 0.00 H new ATOM 1230 N GLY A 89 10.087 -4.984 0.854 1.00 0.00 N ATOM 1231 CA GLY A 89 10.255 -5.576 2.209 1.00 0.00 C ATOM 1232 C GLY A 89 10.071 -4.461 3.237 1.00 0.00 C ATOM 1233 O GLY A 89 10.782 -4.380 4.219 1.00 0.00 O ATOM 0 H GLY A 89 9.496 -5.515 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.525 -6.369 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.242 -6.027 2.308 1.00 0.00 H new ATOM 1237 N LEU A 90 9.125 -3.588 3.002 1.00 0.00 N ATOM 1238 CA LEU A 90 8.900 -2.461 3.948 1.00 0.00 C ATOM 1239 C LEU A 90 8.471 -2.999 5.314 1.00 0.00 C ATOM 1240 O LEU A 90 8.866 -2.490 6.344 1.00 0.00 O ATOM 1241 CB LEU A 90 7.787 -1.632 3.308 1.00 0.00 C ATOM 1242 CG LEU A 90 8.393 -0.597 2.357 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.390 -0.279 1.243 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.711 0.681 3.134 1.00 0.00 C ATOM 0 H LEU A 90 8.501 -3.609 2.196 1.00 0.00 H new ATOM 0 HA LEU A 90 9.799 -1.868 4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.103 -2.283 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.203 -1.132 4.081 1.00 0.00 H new ATOM 0 HG LEU A 90 9.308 -0.996 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.821 0.458 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.160 -1.190 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.475 0.121 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.143 1.420 2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.795 1.079 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.423 0.456 3.929 1.00 0.00 H new ATOM 1256 N ASP A 91 7.673 -4.030 5.332 1.00 0.00 N ATOM 1257 CA ASP A 91 7.230 -4.602 6.634 1.00 0.00 C ATOM 1258 C ASP A 91 8.059 -5.845 6.966 1.00 0.00 C ATOM 1259 O ASP A 91 7.997 -6.371 8.059 1.00 0.00 O ATOM 1260 CB ASP A 91 5.762 -4.977 6.428 1.00 0.00 C ATOM 1261 CG ASP A 91 5.066 -5.072 7.786 1.00 0.00 C ATOM 1262 OD1 ASP A 91 5.438 -5.939 8.561 1.00 0.00 O ATOM 1263 OD2 ASP A 91 4.173 -4.278 8.030 1.00 0.00 O ATOM 0 H ASP A 91 7.309 -4.500 4.503 1.00 0.00 H new ATOM 0 HA ASP A 91 7.356 -3.901 7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.269 -4.230 5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.689 -5.929 5.902 1.00 0.00 H new ATOM 1268 N GLY A 92 8.838 -6.318 6.030 1.00 0.00 N ATOM 1269 CA GLY A 92 9.671 -7.525 6.291 1.00 0.00 C ATOM 1270 C GLY A 92 10.448 -7.896 5.026 1.00 0.00 C ATOM 1271 O GLY A 92 10.873 -7.040 4.275 1.00 0.00 O ATOM 0 H GLY A 92 8.933 -5.920 5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.363 -7.332 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.037 -8.357 6.598 1.00 0.00 H new ATOM 1275 N LYS A 93 10.636 -9.165 4.782 1.00 0.00 N ATOM 1276 CA LYS A 93 11.385 -9.591 3.564 1.00 0.00 C ATOM 1277 C LYS A 93 11.251 -11.103 3.363 1.00 0.00 C ATOM 1278 O LYS A 93 11.096 -11.853 4.306 1.00 0.00 O ATOM 1279 CB LYS A 93 12.841 -9.210 3.838 1.00 0.00 C ATOM 1280 CG LYS A 93 13.233 -9.664 5.246 1.00 0.00 C ATOM 1281 CD LYS A 93 14.711 -10.058 5.262 1.00 0.00 C ATOM 1282 CE LYS A 93 14.858 -11.467 5.841 1.00 0.00 C ATOM 1283 NZ LYS A 93 15.412 -12.285 4.726 1.00 0.00 N ATOM 0 H LYS A 93 10.303 -9.926 5.374 1.00 0.00 H new ATOM 0 HA LYS A 93 11.006 -9.117 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.494 -9.675 3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.970 -8.132 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.052 -8.862 5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.617 -10.510 5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.118 -10.024 4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.281 -9.347 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.525 -11.472 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.898 -11.858 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.541 -13.266 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.753 -12.267 3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.329 -11.894 4.431 1.00 0.00 H new ATOM 1297 N LYS A 94 11.306 -11.556 2.139 1.00 0.00 N ATOM 1298 CA LYS A 94 11.180 -13.020 1.878 1.00 0.00 C ATOM 1299 C LYS A 94 11.535 -13.330 0.415 1.00 0.00 C ATOM 1300 O LYS A 94 12.684 -13.261 0.024 1.00 0.00 O ATOM 1301 CB LYS A 94 9.714 -13.346 2.175 1.00 0.00 C ATOM 1302 CG LYS A 94 8.813 -12.277 1.549 1.00 0.00 C ATOM 1303 CD LYS A 94 7.533 -12.931 1.022 1.00 0.00 C ATOM 1304 CE LYS A 94 6.892 -13.770 2.131 1.00 0.00 C ATOM 1305 NZ LYS A 94 6.915 -15.168 1.617 1.00 0.00 N ATOM 0 H LYS A 94 11.433 -10.977 1.309 1.00 0.00 H new ATOM 0 HA LYS A 94 11.856 -13.616 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.461 -14.328 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.551 -13.388 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.567 -11.515 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.338 -11.774 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.835 -12.166 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.761 -13.560 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.449 -13.683 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.873 -13.441 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.956 -15.831 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.054 -15.348 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.751 -15.302 1.013 1.00 0.00 H new ATOM 1319 N ASP A 95 10.567 -13.672 -0.399 1.00 0.00 N ATOM 1320 CA ASP A 95 10.866 -13.981 -1.827 1.00 0.00 C ATOM 1321 C ASP A 95 11.887 -15.119 -1.923 1.00 0.00 C ATOM 1322 O ASP A 95 12.498 -15.495 -0.943 1.00 0.00 O ATOM 1323 CB ASP A 95 11.448 -12.688 -2.398 1.00 0.00 C ATOM 1324 CG ASP A 95 10.831 -12.414 -3.772 1.00 0.00 C ATOM 1325 OD1 ASP A 95 10.890 -13.298 -4.612 1.00 0.00 O ATOM 1326 OD2 ASP A 95 10.310 -11.328 -3.961 1.00 0.00 O ATOM 0 H ASP A 95 9.585 -13.750 -0.135 1.00 0.00 H new ATOM 0 HA ASP A 95 9.980 -14.306 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.245 -11.856 -1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.531 -12.771 -2.484 1.00 0.00 H new ATOM 1331 N ALA A 96 12.065 -15.670 -3.100 1.00 0.00 N ATOM 1332 CA ALA A 96 13.042 -16.793 -3.296 1.00 0.00 C ATOM 1333 C ALA A 96 12.448 -18.130 -2.830 1.00 0.00 C ATOM 1334 O ALA A 96 12.692 -19.161 -3.425 1.00 0.00 O ATOM 1335 CB ALA A 96 14.277 -16.431 -2.464 1.00 0.00 C ATOM 0 H ALA A 96 11.569 -15.387 -3.945 1.00 0.00 H new ATOM 0 HA ALA A 96 13.292 -16.915 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.027 -17.215 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.689 -15.486 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.994 -16.335 -1.416 1.00 0.00 H new ATOM 1341 N ARG A 97 11.676 -18.132 -1.776 1.00 0.00 N ATOM 1342 CA ARG A 97 11.081 -19.413 -1.293 1.00 0.00 C ATOM 1343 C ARG A 97 12.187 -20.413 -0.948 1.00 0.00 C ATOM 1344 O ARG A 97 12.617 -20.419 0.195 1.00 0.00 O ATOM 1345 CB ARG A 97 10.241 -19.927 -2.463 1.00 0.00 C ATOM 1346 CG ARG A 97 8.759 -19.674 -2.180 1.00 0.00 C ATOM 1347 CD ARG A 97 8.248 -20.707 -1.174 1.00 0.00 C ATOM 1348 NE ARG A 97 8.037 -19.944 0.086 1.00 0.00 N ATOM 1349 CZ ARG A 97 6.945 -20.115 0.779 1.00 0.00 C ATOM 1350 NH1 ARG A 97 6.892 -21.038 1.700 1.00 0.00 N ATOM 1351 NH2 ARG A 97 5.901 -19.364 0.548 1.00 0.00 N ATOM 1352 OXT ARG A 97 12.586 -21.155 -1.830 1.00 0.00 O ATOM 0 H ARG A 97 11.432 -17.306 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 97 10.484 -19.276 -0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.537 -19.425 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.417 -20.993 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.620 -18.667 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.185 -19.737 -3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.321 -21.167 -1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.970 -21.511 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 97 8.747 -19.286 0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.705 -21.627 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.037 -21.170 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.940 -18.644 -0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.047 -19.497 1.090 1.00 0.00 H new TER 1366 ARG A 97