USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot -132:sc= 0.508 USER MOD Set 1.2: A 50 HIS : no HD1:sc= -8.01! C(o=-7.5!,f=-17!) USER MOD Set 2.1: A 33 THR OG1 : rot -79:sc= 2.02 USER MOD Set 2.2: A 35 SER OG : rot -50:sc= 1.18 USER MOD Set 2.3: A 63 THR OG1 : rot -77:sc= 0.0756 USER MOD Set 3.1: A 10 LYS NZ :NH3+ -167:sc= -1.94! (180deg=-2.36!) USER MOD Set 3.2: A 12 LYS NZ :NH3+ -171:sc= 0 (180deg=0) USER MOD Set 3.3: A 51 LYS NZ :NH3+ -151:sc= -0.186 (180deg=-0.0898) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0153 (180deg=-0.232) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -2.38! K(o=-2.4!,f=-3.5) USER MOD Single : A 22 SER OG : rot 75:sc= 0.379 USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0231 (180deg=-0.303) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -165:sc= -4.06! (180deg=-4.52!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -7.028 -26.974 -17.578 1.00 0.00 N ATOM 46 CA GLN A 5 -7.753 -27.652 -16.466 1.00 0.00 C ATOM 47 C GLN A 5 -7.521 -26.885 -15.164 1.00 0.00 C ATOM 48 O GLN A 5 -6.399 -26.653 -14.760 1.00 0.00 O ATOM 49 CB GLN A 5 -7.233 -29.083 -16.316 1.00 0.00 C ATOM 50 CG GLN A 5 -8.113 -29.844 -15.323 1.00 0.00 C ATOM 51 CD GLN A 5 -7.453 -31.179 -14.976 1.00 0.00 C ATOM 52 OE1 GLN A 5 -7.392 -32.072 -15.798 1.00 0.00 O ATOM 53 NE2 GLN A 5 -6.952 -31.356 -13.784 1.00 0.00 N ATOM 0 HA GLN A 5 -8.820 -27.675 -16.688 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.238 -29.586 -17.283 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.200 -29.071 -15.968 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.257 -29.251 -14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.100 -30.015 -15.752 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.003 -30.607 -13.093 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.510 -32.243 -13.543 1.00 0.00 H new ATOM 62 N LYS A 6 -8.574 -26.487 -14.503 1.00 0.00 N ATOM 63 CA LYS A 6 -8.412 -25.734 -13.227 1.00 0.00 C ATOM 64 C LYS A 6 -9.121 -26.484 -12.098 1.00 0.00 C ATOM 65 O LYS A 6 -10.146 -27.104 -12.300 1.00 0.00 O ATOM 66 CB LYS A 6 -9.025 -24.340 -13.376 1.00 0.00 C ATOM 67 CG LYS A 6 -8.289 -23.575 -14.480 1.00 0.00 C ATOM 68 CD LYS A 6 -8.809 -22.137 -14.535 1.00 0.00 C ATOM 69 CE LYS A 6 -8.088 -21.377 -15.650 1.00 0.00 C ATOM 70 NZ LYS A 6 -8.553 -21.879 -16.974 1.00 0.00 N ATOM 0 H LYS A 6 -9.539 -26.651 -14.791 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.352 -25.642 -12.992 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.085 -24.421 -13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.955 -23.797 -12.433 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.216 -23.578 -14.287 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.441 -24.066 -15.441 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.884 -22.134 -14.715 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.644 -21.642 -13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.287 -20.309 -15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.010 -21.509 -15.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.268 -21.211 -17.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.126 -22.809 -17.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.589 -21.969 -16.967 1.00 0.00 H new ATOM 84 N ILE A 7 -8.585 -26.430 -10.910 1.00 0.00 N ATOM 85 CA ILE A 7 -9.230 -27.139 -9.768 1.00 0.00 C ATOM 86 C ILE A 7 -9.687 -26.116 -8.727 1.00 0.00 C ATOM 87 O ILE A 7 -8.990 -25.167 -8.428 1.00 0.00 O ATOM 88 CB ILE A 7 -8.224 -28.101 -9.132 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.751 -29.113 -10.179 1.00 0.00 C ATOM 90 CG2 ILE A 7 -8.891 -28.844 -7.973 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.603 -29.944 -9.602 1.00 0.00 C ATOM 0 H ILE A 7 -7.729 -25.926 -10.680 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.092 -27.701 -10.128 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.369 -27.536 -8.760 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.575 -29.764 -10.470 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.422 -28.594 -11.079 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.175 -29.529 -7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.228 -28.125 -7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.746 -29.408 -8.346 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.266 -30.665 -10.347 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.777 -29.286 -9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.948 -30.474 -8.714 1.00 0.00 H new ATOM 103 N ARG A 8 -10.854 -26.301 -8.172 1.00 0.00 N ATOM 104 CA ARG A 8 -11.354 -25.337 -7.151 1.00 0.00 C ATOM 105 C ARG A 8 -11.572 -26.065 -5.824 1.00 0.00 C ATOM 106 O ARG A 8 -12.083 -27.167 -5.784 1.00 0.00 O ATOM 107 CB ARG A 8 -12.678 -24.735 -7.624 1.00 0.00 C ATOM 108 CG ARG A 8 -12.438 -23.899 -8.883 1.00 0.00 C ATOM 109 CD ARG A 8 -13.743 -23.216 -9.298 1.00 0.00 C ATOM 110 NE ARG A 8 -14.801 -24.246 -9.497 1.00 0.00 N ATOM 111 CZ ARG A 8 -16.034 -23.988 -9.160 1.00 0.00 C ATOM 112 NH1 ARG A 8 -16.843 -23.426 -10.017 1.00 0.00 N ATOM 113 NH2 ARG A 8 -16.461 -24.291 -7.964 1.00 0.00 N ATOM 0 H ARG A 8 -11.482 -27.077 -8.381 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.621 -24.542 -7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.396 -25.528 -7.833 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.108 -24.114 -6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.668 -23.151 -8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.075 -24.534 -9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.053 -22.504 -8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.593 -22.650 -10.218 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.561 -25.153 -9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.511 -23.188 -10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.807 -23.225 -9.752 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.830 -24.730 -7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.425 -24.089 -7.700 1.00 0.00 H new ATOM 127 N ILE A 9 -11.188 -25.459 -4.733 1.00 0.00 N ATOM 128 CA ILE A 9 -11.374 -26.116 -3.409 1.00 0.00 C ATOM 129 C ILE A 9 -12.388 -25.321 -2.584 1.00 0.00 C ATOM 130 O ILE A 9 -12.349 -24.107 -2.537 1.00 0.00 O ATOM 131 CB ILE A 9 -10.035 -26.160 -2.669 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.010 -26.921 -3.511 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.218 -26.868 -1.325 1.00 0.00 C ATOM 134 CD1 ILE A 9 -7.633 -26.821 -2.851 1.00 0.00 C ATOM 0 H ILE A 9 -10.753 -24.537 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.741 -27.132 -3.555 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.681 -25.143 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.305 -27.966 -3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.973 -26.508 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.265 -26.900 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.947 -26.325 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.573 -27.885 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.902 -27.363 -3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.339 -25.774 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.676 -27.255 -1.852 1.00 0.00 H new ATOM 146 N LYS A 10 -13.296 -25.994 -1.933 1.00 0.00 N ATOM 147 CA LYS A 10 -14.311 -25.275 -1.112 1.00 0.00 C ATOM 148 C LYS A 10 -14.062 -25.557 0.371 1.00 0.00 C ATOM 149 O LYS A 10 -14.024 -26.693 0.799 1.00 0.00 O ATOM 150 CB LYS A 10 -15.710 -25.757 -1.495 1.00 0.00 C ATOM 151 CG LYS A 10 -16.754 -24.792 -0.931 1.00 0.00 C ATOM 152 CD LYS A 10 -18.150 -25.229 -1.381 1.00 0.00 C ATOM 153 CE LYS A 10 -19.175 -24.170 -0.969 1.00 0.00 C ATOM 154 NZ LYS A 10 -20.486 -24.824 -0.702 1.00 0.00 N ATOM 0 H LYS A 10 -13.379 -27.011 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.233 -24.203 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.802 -25.816 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.880 -26.761 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.700 -24.776 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.550 -23.778 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.168 -25.367 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.404 -26.190 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.831 -23.643 -0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.282 -23.426 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -21.229 -24.099 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -20.709 -25.483 -1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.436 -25.348 0.195 1.00 0.00 H new ATOM 168 N LEU A 11 -13.895 -24.530 1.159 1.00 0.00 N ATOM 169 CA LEU A 11 -13.650 -24.739 2.614 1.00 0.00 C ATOM 170 C LEU A 11 -14.937 -24.453 3.392 1.00 0.00 C ATOM 171 O LEU A 11 -15.526 -23.398 3.268 1.00 0.00 O ATOM 172 CB LEU A 11 -12.546 -23.791 3.088 1.00 0.00 C ATOM 173 CG LEU A 11 -11.268 -24.057 2.290 1.00 0.00 C ATOM 174 CD1 LEU A 11 -11.435 -23.520 0.867 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.090 -23.354 2.966 1.00 0.00 C ATOM 0 H LEU A 11 -13.918 -23.556 0.858 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.341 -25.770 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.860 -22.755 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.360 -23.936 4.152 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.078 -25.130 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.525 -23.709 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.275 -24.021 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.624 -22.447 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.179 -23.543 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.279 -22.281 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.971 -23.736 3.980 1.00 0.00 H new ATOM 187 N LYS A 12 -15.376 -25.383 4.194 1.00 0.00 N ATOM 188 CA LYS A 12 -16.623 -25.163 4.980 1.00 0.00 C ATOM 189 C LYS A 12 -16.293 -25.170 6.473 1.00 0.00 C ATOM 190 O LYS A 12 -15.623 -26.056 6.966 1.00 0.00 O ATOM 191 CB LYS A 12 -17.623 -26.279 4.670 1.00 0.00 C ATOM 192 CG LYS A 12 -17.775 -26.422 3.154 1.00 0.00 C ATOM 193 CD LYS A 12 -18.942 -27.362 2.844 1.00 0.00 C ATOM 194 CE LYS A 12 -19.142 -27.443 1.330 1.00 0.00 C ATOM 195 NZ LYS A 12 -20.564 -27.774 1.034 1.00 0.00 N ATOM 0 H LYS A 12 -14.925 -26.286 4.339 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.059 -24.201 4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.280 -27.219 5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.588 -26.053 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.951 -25.446 2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.854 -26.813 2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.741 -28.354 3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.852 -27.000 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.874 -26.494 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.485 -28.202 0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.669 -27.979 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.849 -28.607 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.168 -26.967 1.288 1.00 0.00 H new ATOM 209 N ALA A 13 -16.760 -24.191 7.198 1.00 0.00 N ATOM 210 CA ALA A 13 -16.473 -24.142 8.660 1.00 0.00 C ATOM 211 C ALA A 13 -17.393 -23.119 9.327 1.00 0.00 C ATOM 212 O ALA A 13 -17.687 -22.078 8.773 1.00 0.00 O ATOM 213 CB ALA A 13 -15.014 -23.736 8.879 1.00 0.00 C ATOM 0 H ALA A 13 -17.328 -23.423 6.841 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.647 -25.125 9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.803 -23.700 9.948 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.358 -24.466 8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.840 -22.753 8.441 1.00 0.00 H new ATOM 219 N TYR A 14 -17.850 -23.405 10.515 1.00 0.00 N ATOM 220 CA TYR A 14 -18.751 -22.448 11.218 1.00 0.00 C ATOM 221 C TYR A 14 -18.006 -21.134 11.463 1.00 0.00 C ATOM 222 O TYR A 14 -18.569 -20.063 11.359 1.00 0.00 O ATOM 223 CB TYR A 14 -19.185 -23.047 12.557 1.00 0.00 C ATOM 224 CG TYR A 14 -19.946 -24.328 12.313 1.00 0.00 C ATOM 225 CD1 TYR A 14 -21.298 -24.281 11.949 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.300 -25.562 12.451 1.00 0.00 C ATOM 227 CE1 TYR A 14 -22.002 -25.469 11.723 1.00 0.00 C ATOM 228 CE2 TYR A 14 -20.006 -26.751 12.224 1.00 0.00 C ATOM 229 CZ TYR A 14 -21.358 -26.704 11.860 1.00 0.00 C ATOM 230 OH TYR A 14 -22.053 -27.875 11.637 1.00 0.00 O ATOM 0 H TYR A 14 -17.639 -24.260 11.030 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.631 -22.257 10.604 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.312 -23.243 13.180 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.810 -22.338 13.099 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.796 -23.329 11.843 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.258 -25.598 12.732 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.044 -25.433 11.442 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -19.508 -27.703 12.330 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.457 -28.641 11.774 1.00 0.00 H new ATOM 240 N ASP A 15 -16.745 -21.207 11.790 1.00 0.00 N ATOM 241 CA ASP A 15 -15.968 -19.961 12.042 1.00 0.00 C ATOM 242 C ASP A 15 -15.305 -19.500 10.743 1.00 0.00 C ATOM 243 O ASP A 15 -14.495 -20.199 10.166 1.00 0.00 O ATOM 244 CB ASP A 15 -14.892 -20.236 13.093 1.00 0.00 C ATOM 245 CG ASP A 15 -14.183 -18.928 13.453 1.00 0.00 C ATOM 246 OD1 ASP A 15 -14.611 -17.894 12.967 1.00 0.00 O ATOM 247 OD2 ASP A 15 -13.226 -18.983 14.207 1.00 0.00 O ATOM 0 H ASP A 15 -16.220 -22.075 11.893 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.639 -19.182 12.403 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.342 -20.675 13.983 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.172 -20.959 12.711 1.00 0.00 H new ATOM 252 N HIS A 16 -15.640 -18.328 10.279 1.00 0.00 N ATOM 253 CA HIS A 16 -15.028 -17.824 9.018 1.00 0.00 C ATOM 254 C HIS A 16 -13.527 -17.616 9.228 1.00 0.00 C ATOM 255 O HIS A 16 -12.736 -17.774 8.319 1.00 0.00 O ATOM 256 CB HIS A 16 -15.678 -16.493 8.632 1.00 0.00 C ATOM 257 CG HIS A 16 -15.297 -15.441 9.638 1.00 0.00 C ATOM 258 ND1 HIS A 16 -15.901 -15.357 10.883 1.00 0.00 N ATOM 259 CD2 HIS A 16 -14.378 -14.422 9.597 1.00 0.00 C ATOM 260 CE1 HIS A 16 -15.342 -14.320 11.535 1.00 0.00 C ATOM 261 NE2 HIS A 16 -14.409 -13.716 10.795 1.00 0.00 N ATOM 0 H HIS A 16 -16.311 -17.698 10.718 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.187 -18.551 8.221 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -15.354 -16.193 7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -16.762 -16.602 8.596 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.730 -14.202 8.762 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.615 -14.014 12.534 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.841 -12.909 11.053 1.00 0.00 H new ATOM 269 N GLU A 17 -13.128 -17.265 10.419 1.00 0.00 N ATOM 270 CA GLU A 17 -11.678 -17.048 10.686 1.00 0.00 C ATOM 271 C GLU A 17 -10.914 -18.350 10.438 1.00 0.00 C ATOM 272 O GLU A 17 -9.822 -18.348 9.906 1.00 0.00 O ATOM 273 CB GLU A 17 -11.486 -16.614 12.140 1.00 0.00 C ATOM 274 CG GLU A 17 -12.224 -15.296 12.380 1.00 0.00 C ATOM 275 CD GLU A 17 -11.967 -14.821 13.812 1.00 0.00 C ATOM 276 OE1 GLU A 17 -11.421 -15.593 14.582 1.00 0.00 O ATOM 277 OE2 GLU A 17 -12.322 -13.693 14.114 1.00 0.00 O ATOM 0 H GLU A 17 -13.743 -17.119 11.219 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.299 -16.271 10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.865 -17.383 12.813 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.425 -16.494 12.358 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.885 -14.542 11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.293 -15.430 12.216 1.00 0.00 H new ATOM 284 N LEU A 18 -11.480 -19.463 10.818 1.00 0.00 N ATOM 285 CA LEU A 18 -10.785 -20.763 10.603 1.00 0.00 C ATOM 286 C LEU A 18 -10.616 -21.010 9.103 1.00 0.00 C ATOM 287 O LEU A 18 -9.600 -21.506 8.656 1.00 0.00 O ATOM 288 CB LEU A 18 -11.615 -21.892 11.215 1.00 0.00 C ATOM 289 CG LEU A 18 -11.767 -21.657 12.719 1.00 0.00 C ATOM 290 CD1 LEU A 18 -12.529 -22.827 13.345 1.00 0.00 C ATOM 291 CD2 LEU A 18 -10.382 -21.549 13.361 1.00 0.00 C ATOM 0 H LEU A 18 -12.393 -19.528 11.268 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.805 -20.733 11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.596 -21.934 10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.132 -22.852 11.033 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.319 -20.733 12.888 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.637 -22.659 14.417 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.516 -22.904 12.889 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.978 -23.752 13.176 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.490 -21.382 14.433 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.830 -22.473 13.192 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.839 -20.715 12.916 1.00 0.00 H new ATOM 303 N LEU A 19 -11.603 -20.667 8.320 1.00 0.00 N ATOM 304 CA LEU A 19 -11.497 -20.882 6.850 1.00 0.00 C ATOM 305 C LEU A 19 -10.381 -20.002 6.285 1.00 0.00 C ATOM 306 O LEU A 19 -9.659 -20.397 5.391 1.00 0.00 O ATOM 307 CB LEU A 19 -12.823 -20.511 6.185 1.00 0.00 C ATOM 308 CG LEU A 19 -13.938 -21.400 6.739 1.00 0.00 C ATOM 309 CD1 LEU A 19 -15.238 -21.120 5.981 1.00 0.00 C ATOM 310 CD2 LEU A 19 -13.552 -22.871 6.564 1.00 0.00 C ATOM 0 H LEU A 19 -12.478 -20.247 8.635 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.270 -21.929 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.054 -19.462 6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.747 -20.635 5.105 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.082 -21.185 7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.033 -21.753 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.513 -20.073 6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.095 -21.334 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.346 -23.505 6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.408 -23.086 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.626 -23.071 7.104 1.00 0.00 H new ATOM 322 N ASP A 20 -10.233 -18.812 6.799 1.00 0.00 N ATOM 323 CA ASP A 20 -9.162 -17.909 6.290 1.00 0.00 C ATOM 324 C ASP A 20 -7.797 -18.564 6.506 1.00 0.00 C ATOM 325 O ASP A 20 -6.933 -18.518 5.652 1.00 0.00 O ATOM 326 CB ASP A 20 -9.216 -16.580 7.044 1.00 0.00 C ATOM 327 CG ASP A 20 -8.302 -15.565 6.353 1.00 0.00 C ATOM 328 OD1 ASP A 20 -7.757 -15.898 5.314 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.163 -14.471 6.877 1.00 0.00 O ATOM 0 H ASP A 20 -10.807 -18.426 7.549 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.313 -17.729 5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.239 -16.206 7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.903 -16.723 8.078 1.00 0.00 H new ATOM 334 N GLU A 21 -7.594 -19.174 7.642 1.00 0.00 N ATOM 335 CA GLU A 21 -6.284 -19.830 7.911 1.00 0.00 C ATOM 336 C GLU A 21 -6.112 -21.028 6.974 1.00 0.00 C ATOM 337 O GLU A 21 -5.030 -21.300 6.491 1.00 0.00 O ATOM 338 CB GLU A 21 -6.243 -20.310 9.364 1.00 0.00 C ATOM 339 CG GLU A 21 -6.292 -19.102 10.301 1.00 0.00 C ATOM 340 CD GLU A 21 -6.181 -19.577 11.751 1.00 0.00 C ATOM 341 OE1 GLU A 21 -6.246 -20.776 11.968 1.00 0.00 O ATOM 342 OE2 GLU A 21 -6.032 -18.734 12.620 1.00 0.00 O ATOM 0 H GLU A 21 -8.279 -19.246 8.395 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.478 -19.116 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.085 -20.973 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.335 -20.886 9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.478 -18.415 10.069 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.223 -18.554 10.157 1.00 0.00 H new ATOM 349 N SER A 22 -7.169 -21.746 6.712 1.00 0.00 N ATOM 350 CA SER A 22 -7.065 -22.924 5.806 1.00 0.00 C ATOM 351 C SER A 22 -6.639 -22.460 4.412 1.00 0.00 C ATOM 352 O SER A 22 -5.842 -23.096 3.752 1.00 0.00 O ATOM 353 CB SER A 22 -8.424 -23.622 5.719 1.00 0.00 C ATOM 354 OG SER A 22 -8.874 -23.948 7.026 1.00 0.00 O ATOM 0 H SER A 22 -8.101 -21.568 7.086 1.00 0.00 H new ATOM 0 HA SER A 22 -6.324 -23.620 6.199 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.147 -22.973 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.343 -24.526 5.115 1.00 0.00 H new ATOM 0 HG SER A 22 -9.184 -23.135 7.477 1.00 0.00 H new ATOM 360 N ALA A 23 -7.164 -21.355 3.958 1.00 0.00 N ATOM 361 CA ALA A 23 -6.789 -20.851 2.606 1.00 0.00 C ATOM 362 C ALA A 23 -5.331 -20.390 2.621 1.00 0.00 C ATOM 363 O ALA A 23 -4.569 -20.680 1.720 1.00 0.00 O ATOM 364 CB ALA A 23 -7.693 -19.675 2.232 1.00 0.00 C ATOM 0 H ALA A 23 -7.836 -20.779 4.465 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.910 -21.649 1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.419 -19.306 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.732 -20.004 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.572 -18.876 2.964 1.00 0.00 H new ATOM 370 N LYS A 24 -4.936 -19.673 3.638 1.00 0.00 N ATOM 371 CA LYS A 24 -3.527 -19.194 3.709 1.00 0.00 C ATOM 372 C LYS A 24 -2.580 -20.395 3.746 1.00 0.00 C ATOM 373 O LYS A 24 -1.592 -20.442 3.040 1.00 0.00 O ATOM 374 CB LYS A 24 -3.337 -18.355 4.974 1.00 0.00 C ATOM 375 CG LYS A 24 -1.922 -17.774 4.992 1.00 0.00 C ATOM 376 CD LYS A 24 -1.764 -16.856 6.206 1.00 0.00 C ATOM 377 CE LYS A 24 -1.818 -17.689 7.487 1.00 0.00 C ATOM 378 NZ LYS A 24 -0.574 -18.500 7.605 1.00 0.00 N ATOM 0 H LYS A 24 -5.528 -19.399 4.422 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.306 -18.585 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.072 -17.551 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.501 -18.970 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.187 -18.578 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.734 -17.217 4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.817 -16.319 6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.555 -16.106 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.923 -17.036 8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.691 -18.342 7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.453 -18.808 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.643 -19.334 6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.244 -17.925 7.319 1.00 0.00 H new ATOM 392 N LYS A 25 -2.874 -21.369 4.564 1.00 0.00 N ATOM 393 CA LYS A 25 -1.989 -22.566 4.646 1.00 0.00 C ATOM 394 C LYS A 25 -1.993 -23.296 3.302 1.00 0.00 C ATOM 395 O LYS A 25 -0.958 -23.661 2.780 1.00 0.00 O ATOM 396 CB LYS A 25 -2.503 -23.506 5.738 1.00 0.00 C ATOM 397 CG LYS A 25 -2.416 -22.805 7.096 1.00 0.00 C ATOM 398 CD LYS A 25 -2.822 -23.783 8.201 1.00 0.00 C ATOM 399 CE LYS A 25 -2.870 -23.045 9.541 1.00 0.00 C ATOM 400 NZ LYS A 25 -2.317 -23.923 10.611 1.00 0.00 N ATOM 0 H LYS A 25 -3.688 -21.388 5.178 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.973 -22.251 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.534 -23.793 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.913 -24.423 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.401 -22.446 7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.069 -21.933 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.796 -24.217 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.110 -24.607 8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.295 -22.121 9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.897 -22.766 9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.349 -23.422 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.884 -24.793 10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.332 -24.167 10.385 1.00 0.00 H new ATOM 414 N ILE A 26 -3.148 -23.512 2.736 1.00 0.00 N ATOM 415 CA ILE A 26 -3.217 -24.219 1.426 1.00 0.00 C ATOM 416 C ILE A 26 -2.654 -23.313 0.328 1.00 0.00 C ATOM 417 O ILE A 26 -1.948 -23.757 -0.556 1.00 0.00 O ATOM 418 CB ILE A 26 -4.673 -24.563 1.105 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.242 -25.455 2.210 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.738 -25.302 -0.232 1.00 0.00 C ATOM 421 CD1 ILE A 26 -6.738 -25.672 1.970 1.00 0.00 C ATOM 0 H ILE A 26 -4.048 -23.229 3.124 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.631 -25.137 1.478 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.258 -23.646 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.722 -26.413 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.082 -24.993 3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.775 -25.548 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.333 -24.666 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.153 -26.220 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.144 -26.308 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.251 -24.710 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.885 -26.153 1.003 1.00 0.00 H new ATOM 433 N VAL A 27 -2.960 -22.045 0.377 1.00 0.00 N ATOM 434 CA VAL A 27 -2.444 -21.114 -0.664 1.00 0.00 C ATOM 435 C VAL A 27 -0.916 -21.056 -0.584 1.00 0.00 C ATOM 436 O VAL A 27 -0.230 -21.107 -1.586 1.00 0.00 O ATOM 437 CB VAL A 27 -3.020 -19.716 -0.430 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.357 -18.723 -1.387 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.529 -19.738 -0.682 1.00 0.00 C ATOM 0 H VAL A 27 -3.545 -21.615 1.093 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.744 -21.470 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.827 -19.411 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.768 -17.727 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.282 -18.707 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.548 -19.026 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.940 -18.742 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.722 -20.043 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.002 -20.445 0.000 1.00 0.00 H new ATOM 449 N GLU A 28 -0.379 -20.949 0.600 1.00 0.00 N ATOM 450 CA GLU A 28 1.104 -20.888 0.743 1.00 0.00 C ATOM 451 C GLU A 28 1.718 -22.198 0.245 1.00 0.00 C ATOM 452 O GLU A 28 2.722 -22.203 -0.439 1.00 0.00 O ATOM 453 CB GLU A 28 1.467 -20.681 2.214 1.00 0.00 C ATOM 454 CG GLU A 28 2.980 -20.492 2.344 1.00 0.00 C ATOM 455 CD GLU A 28 3.383 -19.156 1.717 1.00 0.00 C ATOM 456 OE1 GLU A 28 2.535 -18.281 1.639 1.00 0.00 O ATOM 457 OE2 GLU A 28 4.531 -19.030 1.325 1.00 0.00 O ATOM 0 H GLU A 28 -0.902 -20.901 1.474 1.00 0.00 H new ATOM 0 HA GLU A 28 1.492 -20.057 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.946 -19.809 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.145 -21.539 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.271 -20.516 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.503 -21.310 1.850 1.00 0.00 H new ATOM 464 N VAL A 29 1.121 -23.309 0.583 1.00 0.00 N ATOM 465 CA VAL A 29 1.672 -24.617 0.129 1.00 0.00 C ATOM 466 C VAL A 29 1.392 -24.797 -1.365 1.00 0.00 C ATOM 467 O VAL A 29 2.235 -25.247 -2.115 1.00 0.00 O ATOM 468 CB VAL A 29 1.007 -25.749 0.912 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.648 -27.083 0.526 1.00 0.00 C ATOM 470 CG2 VAL A 29 1.194 -25.510 2.412 1.00 0.00 C ATOM 0 H VAL A 29 0.277 -23.367 1.153 1.00 0.00 H new ATOM 0 HA VAL A 29 2.748 -24.638 0.302 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.057 -25.776 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.174 -27.890 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.516 -27.255 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.712 -27.057 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.720 -26.317 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.258 -25.483 2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.737 -24.560 2.689 1.00 0.00 H new ATOM 480 N ALA A 30 0.213 -24.449 -1.803 1.00 0.00 N ATOM 481 CA ALA A 30 -0.119 -24.600 -3.248 1.00 0.00 C ATOM 482 C ALA A 30 0.757 -23.655 -4.074 1.00 0.00 C ATOM 483 O ALA A 30 1.353 -24.047 -5.057 1.00 0.00 O ATOM 484 CB ALA A 30 -1.593 -24.253 -3.470 1.00 0.00 C ATOM 0 H ALA A 30 -0.534 -24.067 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 30 0.064 -25.629 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.838 -24.363 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.218 -24.925 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.775 -23.224 -3.161 1.00 0.00 H new ATOM 490 N LYS A 31 0.838 -22.412 -3.683 1.00 0.00 N ATOM 491 CA LYS A 31 1.675 -21.445 -4.446 1.00 0.00 C ATOM 492 C LYS A 31 3.114 -21.959 -4.517 1.00 0.00 C ATOM 493 O LYS A 31 3.770 -21.858 -5.535 1.00 0.00 O ATOM 494 CB LYS A 31 1.654 -20.086 -3.743 1.00 0.00 C ATOM 495 CG LYS A 31 2.275 -19.028 -4.658 1.00 0.00 C ATOM 496 CD LYS A 31 2.330 -17.688 -3.922 1.00 0.00 C ATOM 497 CE LYS A 31 2.871 -16.611 -4.865 1.00 0.00 C ATOM 498 NZ LYS A 31 3.170 -15.375 -4.088 1.00 0.00 N ATOM 0 H LYS A 31 0.361 -22.025 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 31 1.277 -21.339 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.630 -19.810 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.207 -20.141 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.278 -19.333 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.687 -18.930 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.336 -17.413 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.968 -17.770 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.773 -16.968 -5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.141 -16.395 -5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.538 -14.643 -4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.300 -15.032 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.881 -15.587 -3.359 1.00 0.00 H new ATOM 512 N SER A 32 3.610 -22.511 -3.444 1.00 0.00 N ATOM 513 CA SER A 32 5.006 -23.032 -3.451 1.00 0.00 C ATOM 514 C SER A 32 5.157 -24.074 -4.562 1.00 0.00 C ATOM 515 O SER A 32 6.220 -24.248 -5.123 1.00 0.00 O ATOM 516 CB SER A 32 5.316 -23.679 -2.099 1.00 0.00 C ATOM 517 OG SER A 32 6.689 -24.039 -2.051 1.00 0.00 O ATOM 0 H SER A 32 3.109 -22.624 -2.563 1.00 0.00 H new ATOM 0 HA SER A 32 5.699 -22.210 -3.628 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.082 -22.987 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.692 -24.561 -1.954 1.00 0.00 H new ATOM 0 HG SER A 32 6.889 -24.452 -1.185 1.00 0.00 H new ATOM 523 N THR A 33 4.099 -24.768 -4.883 1.00 0.00 N ATOM 524 CA THR A 33 4.183 -25.799 -5.956 1.00 0.00 C ATOM 525 C THR A 33 4.191 -25.112 -7.324 1.00 0.00 C ATOM 526 O THR A 33 3.809 -23.965 -7.455 1.00 0.00 O ATOM 527 CB THR A 33 2.974 -26.733 -5.861 1.00 0.00 C ATOM 528 OG1 THR A 33 1.806 -26.034 -6.267 1.00 0.00 O ATOM 529 CG2 THR A 33 2.809 -27.212 -4.419 1.00 0.00 C ATOM 0 H THR A 33 3.182 -24.666 -4.449 1.00 0.00 H new ATOM 0 HA THR A 33 5.099 -26.377 -5.834 1.00 0.00 H new ATOM 0 HB THR A 33 3.127 -27.594 -6.511 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.498 -25.459 -5.535 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.948 -27.877 -4.353 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.706 -27.748 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.655 -26.353 -3.766 1.00 0.00 H new ATOM 537 N ASN A 34 4.622 -25.803 -8.342 1.00 0.00 N ATOM 538 CA ASN A 34 4.653 -25.189 -9.700 1.00 0.00 C ATOM 539 C ASN A 34 3.250 -24.710 -10.074 1.00 0.00 C ATOM 540 O ASN A 34 3.084 -23.748 -10.798 1.00 0.00 O ATOM 541 CB ASN A 34 5.126 -26.228 -10.719 1.00 0.00 C ATOM 542 CG ASN A 34 6.561 -26.647 -10.392 1.00 0.00 C ATOM 543 OD1 ASN A 34 7.254 -25.965 -9.663 1.00 0.00 O ATOM 544 ND2 ASN A 34 7.039 -27.748 -10.905 1.00 0.00 N ATOM 0 H ASN A 34 4.954 -26.766 -8.293 1.00 0.00 H new ATOM 0 HA ASN A 34 5.339 -24.342 -9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.469 -27.097 -10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.077 -25.814 -11.726 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.994 -28.036 -10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.457 -28.320 -11.517 1.00 0.00 H new ATOM 551 N SER A 35 2.237 -25.374 -9.588 1.00 0.00 N ATOM 552 CA SER A 35 0.844 -24.957 -9.916 1.00 0.00 C ATOM 553 C SER A 35 0.559 -23.592 -9.287 1.00 0.00 C ATOM 554 O SER A 35 1.165 -23.210 -8.306 1.00 0.00 O ATOM 555 CB SER A 35 -0.141 -25.990 -9.365 1.00 0.00 C ATOM 556 OG SER A 35 -0.205 -25.874 -7.951 1.00 0.00 O ATOM 0 H SER A 35 2.314 -26.188 -8.978 1.00 0.00 H new ATOM 0 HA SER A 35 0.730 -24.889 -10.998 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.129 -25.834 -9.799 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.175 -26.995 -9.644 1.00 0.00 H new ATOM 0 HG SER A 35 0.702 -25.879 -7.581 1.00 0.00 H new ATOM 562 N LYS A 36 -0.363 -22.854 -9.843 1.00 0.00 N ATOM 563 CA LYS A 36 -0.688 -21.515 -9.275 1.00 0.00 C ATOM 564 C LYS A 36 -2.062 -21.565 -8.605 1.00 0.00 C ATOM 565 O LYS A 36 -2.929 -22.320 -9.000 1.00 0.00 O ATOM 566 CB LYS A 36 -0.706 -20.476 -10.399 1.00 0.00 C ATOM 567 CG LYS A 36 0.673 -20.412 -11.058 1.00 0.00 C ATOM 568 CD LYS A 36 0.671 -19.333 -12.142 1.00 0.00 C ATOM 569 CE LYS A 36 2.009 -19.355 -12.885 1.00 0.00 C ATOM 570 NZ LYS A 36 3.000 -18.519 -12.150 1.00 0.00 N ATOM 0 H LYS A 36 -0.905 -23.120 -10.665 1.00 0.00 H new ATOM 0 HA LYS A 36 0.066 -21.240 -8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.462 -20.738 -11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.976 -19.498 -10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.435 -20.190 -10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.925 -21.379 -11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.148 -19.505 -12.840 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.507 -18.353 -11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.373 -20.379 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.880 -18.977 -13.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.909 -18.534 -12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.653 -17.540 -12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.131 -18.898 -11.191 1.00 0.00 H new ATOM 584 N VAL A 37 -2.268 -20.767 -7.593 1.00 0.00 N ATOM 585 CA VAL A 37 -3.587 -20.772 -6.900 1.00 0.00 C ATOM 586 C VAL A 37 -4.155 -19.351 -6.872 1.00 0.00 C ATOM 587 O VAL A 37 -3.439 -18.388 -6.681 1.00 0.00 O ATOM 588 CB VAL A 37 -3.409 -21.275 -5.467 1.00 0.00 C ATOM 589 CG1 VAL A 37 -4.773 -21.352 -4.779 1.00 0.00 C ATOM 590 CG2 VAL A 37 -2.770 -22.666 -5.491 1.00 0.00 C ATOM 0 H VAL A 37 -1.581 -20.113 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.274 -21.429 -7.434 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.765 -20.588 -4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.646 -21.711 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.228 -20.362 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.419 -22.039 -5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.643 -23.026 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.414 -23.353 -6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.798 -22.611 -5.980 1.00 0.00 H new ATOM 600 N SER A 38 -5.439 -19.214 -7.062 1.00 0.00 N ATOM 601 CA SER A 38 -6.053 -17.856 -7.046 1.00 0.00 C ATOM 602 C SER A 38 -7.087 -17.778 -5.922 1.00 0.00 C ATOM 603 O SER A 38 -7.828 -18.710 -5.680 1.00 0.00 O ATOM 604 CB SER A 38 -6.739 -17.590 -8.387 1.00 0.00 C ATOM 605 OG SER A 38 -6.985 -16.199 -8.526 1.00 0.00 O ATOM 0 H SER A 38 -6.089 -19.983 -7.227 1.00 0.00 H new ATOM 0 HA SER A 38 -5.277 -17.109 -6.880 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.111 -17.942 -9.205 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.676 -18.143 -8.444 1.00 0.00 H new ATOM 0 HG SER A 38 -7.423 -16.029 -9.386 1.00 0.00 H new ATOM 611 N GLY A 39 -7.142 -16.673 -5.230 1.00 0.00 N ATOM 612 CA GLY A 39 -8.128 -16.537 -4.121 1.00 0.00 C ATOM 613 C GLY A 39 -7.413 -16.021 -2.869 1.00 0.00 C ATOM 614 O GLY A 39 -6.419 -15.327 -2.953 1.00 0.00 O ATOM 0 H GLY A 39 -6.547 -15.859 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.924 -15.850 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.597 -17.499 -3.916 1.00 0.00 H new ATOM 618 N PRO A 40 -7.933 -16.373 -1.685 1.00 0.00 N ATOM 619 CA PRO A 40 -9.133 -17.211 -1.563 1.00 0.00 C ATOM 620 C PRO A 40 -10.395 -16.457 -1.989 1.00 0.00 C ATOM 621 O PRO A 40 -10.560 -15.289 -1.698 1.00 0.00 O ATOM 622 CB PRO A 40 -9.195 -17.532 -0.070 1.00 0.00 C ATOM 623 CG PRO A 40 -8.466 -16.410 0.588 1.00 0.00 C ATOM 624 CD PRO A 40 -7.391 -15.983 -0.372 1.00 0.00 C ATOM 0 HA PRO A 40 -9.083 -18.094 -2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.226 -17.594 0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.726 -18.491 0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.142 -15.583 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.035 -16.730 1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.205 -14.910 -0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.445 -16.482 -0.164 1.00 0.00 H new ATOM 632 N ILE A 41 -11.288 -17.117 -2.674 1.00 0.00 N ATOM 633 CA ILE A 41 -12.538 -16.438 -3.115 1.00 0.00 C ATOM 634 C ILE A 41 -13.615 -16.608 -2.042 1.00 0.00 C ATOM 635 O ILE A 41 -13.958 -17.710 -1.663 1.00 0.00 O ATOM 636 CB ILE A 41 -13.017 -17.061 -4.428 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.807 -17.363 -5.317 1.00 0.00 C ATOM 638 CG2 ILE A 41 -13.948 -16.083 -5.147 1.00 0.00 C ATOM 639 CD1 ILE A 41 -12.286 -17.830 -6.692 1.00 0.00 C ATOM 0 H ILE A 41 -11.206 -18.096 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.344 -15.376 -3.267 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.555 -17.985 -4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.187 -16.472 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.187 -18.132 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.289 -16.526 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.808 -15.866 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.411 -15.158 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.424 -18.045 -7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.888 -18.732 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.888 -17.047 -7.153 1.00 0.00 H new ATOM 651 N PRO A 42 -14.154 -15.486 -1.539 1.00 0.00 N ATOM 652 CA PRO A 42 -15.191 -15.500 -0.500 1.00 0.00 C ATOM 653 C PRO A 42 -16.528 -16.028 -1.030 1.00 0.00 C ATOM 654 O PRO A 42 -17.022 -15.587 -2.048 1.00 0.00 O ATOM 655 CB PRO A 42 -15.329 -14.028 -0.113 1.00 0.00 C ATOM 656 CG PRO A 42 -14.868 -13.278 -1.316 1.00 0.00 C ATOM 657 CD PRO A 42 -13.792 -14.117 -1.946 1.00 0.00 C ATOM 0 HA PRO A 42 -14.924 -16.152 0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.360 -13.779 0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.722 -13.789 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.691 -13.114 -2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.484 -12.296 -1.039 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.780 -14.009 -3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.801 -13.838 -1.587 1.00 0.00 H new ATOM 665 N LEU A 43 -17.115 -16.971 -0.344 1.00 0.00 N ATOM 666 CA LEU A 43 -18.418 -17.528 -0.803 1.00 0.00 C ATOM 667 C LEU A 43 -19.541 -16.997 0.090 1.00 0.00 C ATOM 668 O LEU A 43 -19.297 -16.363 1.097 1.00 0.00 O ATOM 669 CB LEU A 43 -18.374 -19.055 -0.713 1.00 0.00 C ATOM 670 CG LEU A 43 -18.128 -19.647 -2.104 1.00 0.00 C ATOM 671 CD1 LEU A 43 -16.992 -18.886 -2.793 1.00 0.00 C ATOM 672 CD2 LEU A 43 -17.744 -21.120 -1.966 1.00 0.00 C ATOM 0 H LEU A 43 -16.747 -17.380 0.515 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.602 -17.228 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.584 -19.366 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.313 -19.432 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.035 -19.560 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -16.819 -19.309 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.264 -17.835 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.083 -18.972 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.568 -21.544 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.837 -21.205 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -18.553 -21.663 -1.477 1.00 0.00 H new ATOM 684 N PRO A 44 -20.799 -17.263 -0.292 1.00 0.00 N ATOM 685 CA PRO A 44 -21.971 -16.814 0.471 1.00 0.00 C ATOM 686 C PRO A 44 -22.099 -17.557 1.804 1.00 0.00 C ATOM 687 O PRO A 44 -22.071 -18.771 1.854 1.00 0.00 O ATOM 688 CB PRO A 44 -23.147 -17.167 -0.439 1.00 0.00 C ATOM 689 CG PRO A 44 -22.642 -18.284 -1.288 1.00 0.00 C ATOM 690 CD PRO A 44 -21.178 -18.022 -1.497 1.00 0.00 C ATOM 0 HA PRO A 44 -21.914 -15.755 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.019 -17.472 0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.449 -16.313 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.800 -19.246 -0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.171 -18.319 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.611 -18.949 -1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.997 -17.450 -2.407 1.00 0.00 H new ATOM 698 N THR A 45 -22.235 -16.837 2.884 1.00 0.00 N ATOM 699 CA THR A 45 -22.363 -17.502 4.212 1.00 0.00 C ATOM 700 C THR A 45 -23.815 -17.926 4.436 1.00 0.00 C ATOM 701 O THR A 45 -24.733 -17.343 3.894 1.00 0.00 O ATOM 702 CB THR A 45 -21.941 -16.525 5.312 1.00 0.00 C ATOM 703 OG1 THR A 45 -20.644 -16.021 5.026 1.00 0.00 O ATOM 704 CG2 THR A 45 -21.924 -17.248 6.660 1.00 0.00 C ATOM 0 H THR A 45 -22.263 -15.818 2.904 1.00 0.00 H new ATOM 0 HA THR A 45 -21.721 -18.383 4.240 1.00 0.00 H new ATOM 0 HB THR A 45 -22.650 -15.698 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.083 -16.087 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 45 -21.623 -16.551 7.443 1.00 0.00 H new ATOM 0 HG22 THR A 45 -22.920 -17.632 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.216 -18.076 6.620 1.00 0.00 H new ATOM 762 N VAL A 49 -22.636 -20.335 8.963 1.00 0.00 N ATOM 763 CA VAL A 49 -21.561 -21.139 8.317 1.00 0.00 C ATOM 764 C VAL A 49 -20.945 -20.341 7.166 1.00 0.00 C ATOM 765 O VAL A 49 -21.639 -19.844 6.301 1.00 0.00 O ATOM 766 CB VAL A 49 -22.154 -22.441 7.774 1.00 0.00 C ATOM 767 CG1 VAL A 49 -21.045 -23.277 7.131 1.00 0.00 C ATOM 768 CG2 VAL A 49 -22.790 -23.230 8.919 1.00 0.00 C ATOM 0 HA VAL A 49 -20.790 -21.369 9.052 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.914 -22.210 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.467 -24.205 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.593 -22.715 6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.284 -23.508 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.212 -24.157 8.531 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.031 -23.461 9.667 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.580 -22.635 9.376 1.00 0.00 H new ATOM 778 N HIS A 50 -19.646 -20.215 7.148 1.00 0.00 N ATOM 779 CA HIS A 50 -18.986 -19.450 6.053 1.00 0.00 C ATOM 780 C HIS A 50 -18.284 -20.423 5.104 1.00 0.00 C ATOM 781 O HIS A 50 -17.791 -21.456 5.513 1.00 0.00 O ATOM 782 CB HIS A 50 -17.958 -18.489 6.650 1.00 0.00 C ATOM 783 CG HIS A 50 -18.655 -17.511 7.556 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.215 -16.335 7.083 1.00 0.00 N ATOM 785 CD2 HIS A 50 -18.890 -17.520 8.909 1.00 0.00 C ATOM 786 CE1 HIS A 50 -19.754 -15.691 8.135 1.00 0.00 C ATOM 787 NE2 HIS A 50 -19.585 -16.371 9.271 1.00 0.00 N ATOM 0 H HIS A 50 -19.013 -20.609 7.845 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.736 -18.882 5.503 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.205 -19.045 7.208 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.437 -17.957 5.854 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -18.582 -18.301 9.589 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.261 -14.740 8.068 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -19.898 -16.105 10.205 1.00 0.00 H new ATOM 795 N LYS A 51 -18.234 -20.105 3.839 1.00 0.00 N ATOM 796 CA LYS A 51 -17.564 -21.014 2.868 1.00 0.00 C ATOM 797 C LYS A 51 -16.533 -20.227 2.056 1.00 0.00 C ATOM 798 O LYS A 51 -16.679 -19.042 1.832 1.00 0.00 O ATOM 799 CB LYS A 51 -18.609 -21.610 1.923 1.00 0.00 C ATOM 800 CG LYS A 51 -19.682 -22.333 2.739 1.00 0.00 C ATOM 801 CD LYS A 51 -20.672 -23.012 1.791 1.00 0.00 C ATOM 802 CE LYS A 51 -21.835 -23.593 2.598 1.00 0.00 C ATOM 803 NZ LYS A 51 -21.459 -24.939 3.113 1.00 0.00 N ATOM 0 H LYS A 51 -18.628 -19.255 3.437 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.063 -21.816 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.063 -20.822 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.134 -22.305 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.220 -23.074 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.205 -21.624 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.045 -22.293 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.172 -23.803 1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.083 -22.931 3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.725 -23.667 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.313 -25.524 3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.804 -25.395 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.997 -24.840 4.039 1.00 0.00 H new ATOM 817 N ARG A 52 -15.494 -20.878 1.612 1.00 0.00 N ATOM 818 CA ARG A 52 -14.455 -20.171 0.812 1.00 0.00 C ATOM 819 C ARG A 52 -14.107 -21.009 -0.419 1.00 0.00 C ATOM 820 O ARG A 52 -14.095 -22.224 -0.370 1.00 0.00 O ATOM 821 CB ARG A 52 -13.202 -19.970 1.667 1.00 0.00 C ATOM 822 CG ARG A 52 -13.503 -18.974 2.787 1.00 0.00 C ATOM 823 CD ARG A 52 -12.223 -18.697 3.580 1.00 0.00 C ATOM 824 NE ARG A 52 -11.276 -17.915 2.737 1.00 0.00 N ATOM 825 CZ ARG A 52 -11.527 -16.665 2.460 1.00 0.00 C ATOM 826 NH1 ARG A 52 -12.414 -16.363 1.553 1.00 0.00 N ATOM 827 NH2 ARG A 52 -10.890 -15.717 3.092 1.00 0.00 N ATOM 0 H ARG A 52 -15.319 -21.871 1.769 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.835 -19.200 0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.880 -20.922 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.383 -19.602 1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.892 -18.046 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.273 -19.374 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.458 -18.144 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.763 -19.636 3.888 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.431 -18.357 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.912 -17.104 1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.610 -15.386 1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.197 -15.954 3.802 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.086 -14.739 2.876 1.00 0.00 H new ATOM 841 N LEU A 53 -13.824 -20.374 -1.523 1.00 0.00 N ATOM 842 CA LEU A 53 -13.480 -21.139 -2.754 1.00 0.00 C ATOM 843 C LEU A 53 -12.086 -20.732 -3.237 1.00 0.00 C ATOM 844 O LEU A 53 -11.763 -19.564 -3.319 1.00 0.00 O ATOM 845 CB LEU A 53 -14.506 -20.836 -3.846 1.00 0.00 C ATOM 846 CG LEU A 53 -14.259 -21.750 -5.048 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.634 -23.188 -4.682 1.00 0.00 C ATOM 848 CD2 LEU A 53 -15.113 -21.284 -6.228 1.00 0.00 C ATOM 0 H LEU A 53 -13.816 -19.359 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.490 -22.206 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.515 -20.986 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.432 -19.792 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.205 -21.709 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.458 -23.839 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.024 -23.520 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.687 -23.230 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.937 -21.935 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.167 -21.324 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.845 -20.260 -6.489 1.00 0.00 H new ATOM 860 N ILE A 54 -11.258 -21.689 -3.560 1.00 0.00 N ATOM 861 CA ILE A 54 -9.887 -21.357 -4.040 1.00 0.00 C ATOM 862 C ILE A 54 -9.689 -21.929 -5.446 1.00 0.00 C ATOM 863 O ILE A 54 -9.797 -23.119 -5.663 1.00 0.00 O ATOM 864 CB ILE A 54 -8.854 -21.966 -3.090 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.106 -21.460 -1.669 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.448 -21.556 -3.536 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.130 -22.139 -0.705 1.00 0.00 C ATOM 0 H ILE A 54 -11.472 -22.685 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.761 -20.275 -4.067 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.939 -23.052 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.980 -20.378 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.133 -21.672 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.711 -21.989 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.268 -21.917 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.363 -20.469 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.309 -21.779 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.278 -23.218 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.107 -21.904 -0.998 1.00 0.00 H new ATOM 879 N ASP A 55 -9.399 -21.090 -6.402 1.00 0.00 N ATOM 880 CA ASP A 55 -9.195 -21.586 -7.793 1.00 0.00 C ATOM 881 C ASP A 55 -7.732 -21.989 -7.984 1.00 0.00 C ATOM 882 O ASP A 55 -6.828 -21.300 -7.556 1.00 0.00 O ATOM 883 CB ASP A 55 -9.554 -20.481 -8.786 1.00 0.00 C ATOM 884 CG ASP A 55 -9.738 -21.088 -10.179 1.00 0.00 C ATOM 885 OD1 ASP A 55 -9.643 -22.299 -10.294 1.00 0.00 O ATOM 886 OD2 ASP A 55 -9.970 -20.331 -11.107 1.00 0.00 O ATOM 0 H ASP A 55 -9.294 -20.083 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.834 -22.452 -7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.469 -19.979 -8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.768 -19.727 -8.807 1.00 0.00 H new ATOM 891 N ILE A 56 -7.491 -23.100 -8.624 1.00 0.00 N ATOM 892 CA ILE A 56 -6.086 -23.545 -8.845 1.00 0.00 C ATOM 893 C ILE A 56 -5.813 -23.643 -10.347 1.00 0.00 C ATOM 894 O ILE A 56 -6.544 -24.280 -11.079 1.00 0.00 O ATOM 895 CB ILE A 56 -5.878 -24.915 -8.198 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.205 -24.833 -6.705 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.421 -25.348 -8.377 1.00 0.00 C ATOM 898 CD1 ILE A 56 -5.927 -26.185 -6.047 1.00 0.00 C ATOM 0 H ILE A 56 -8.207 -23.719 -9.004 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.401 -22.824 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.536 -25.643 -8.673 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.604 -24.056 -6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.250 -24.557 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.272 -26.324 -7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.188 -25.409 -9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.764 -24.619 -7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.160 -26.127 -4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.547 -26.951 -6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.876 -26.442 -6.175 1.00 0.00 H new ATOM 910 N ILE A 57 -4.768 -23.016 -10.812 1.00 0.00 N ATOM 911 CA ILE A 57 -4.451 -23.074 -12.266 1.00 0.00 C ATOM 912 C ILE A 57 -3.235 -23.975 -12.489 1.00 0.00 C ATOM 913 O ILE A 57 -2.285 -23.951 -11.731 1.00 0.00 O ATOM 914 CB ILE A 57 -4.141 -21.664 -12.777 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.309 -20.733 -12.447 1.00 0.00 C ATOM 916 CG2 ILE A 57 -3.936 -21.707 -14.293 1.00 0.00 C ATOM 917 CD1 ILE A 57 -4.929 -19.294 -12.801 1.00 0.00 C ATOM 0 H ILE A 57 -4.120 -22.466 -10.248 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.306 -23.478 -12.808 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.235 -21.294 -12.297 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.196 -21.034 -13.004 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.558 -20.805 -11.388 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.715 -20.704 -14.659 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.104 -22.371 -14.529 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.842 -22.077 -14.772 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.761 -18.630 -12.566 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.053 -18.997 -12.224 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.702 -19.229 -13.865 1.00 0.00 H new ATOM 929 N ASP A 58 -3.256 -24.770 -13.523 1.00 0.00 N ATOM 930 CA ASP A 58 -2.102 -25.671 -13.794 1.00 0.00 C ATOM 931 C ASP A 58 -1.729 -26.422 -12.514 1.00 0.00 C ATOM 932 O ASP A 58 -0.635 -26.292 -12.004 1.00 0.00 O ATOM 933 CB ASP A 58 -0.906 -24.840 -14.265 1.00 0.00 C ATOM 934 CG ASP A 58 0.177 -25.770 -14.815 1.00 0.00 C ATOM 935 OD1 ASP A 58 -0.169 -26.684 -15.545 1.00 0.00 O ATOM 936 OD2 ASP A 58 1.334 -25.553 -14.497 1.00 0.00 O ATOM 0 H ASP A 58 -4.023 -24.834 -14.192 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.375 -26.388 -14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.220 -24.135 -15.035 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.509 -24.252 -13.437 1.00 0.00 H new ATOM 941 N PRO A 59 -2.666 -27.225 -11.988 1.00 0.00 N ATOM 942 CA PRO A 59 -2.446 -28.006 -10.765 1.00 0.00 C ATOM 943 C PRO A 59 -1.454 -29.150 -10.991 1.00 0.00 C ATOM 944 O PRO A 59 -1.420 -29.756 -12.043 1.00 0.00 O ATOM 945 CB PRO A 59 -3.830 -28.570 -10.447 1.00 0.00 C ATOM 946 CG PRO A 59 -4.535 -28.604 -11.761 1.00 0.00 C ATOM 947 CD PRO A 59 -4.013 -27.434 -12.548 1.00 0.00 C ATOM 0 HA PRO A 59 -2.023 -27.400 -9.964 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.761 -29.566 -10.009 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.359 -27.942 -9.730 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.341 -29.541 -12.282 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.614 -28.532 -11.626 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.976 -27.651 -13.615 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.642 -26.552 -12.424 1.00 0.00 H new ATOM 955 N SER A 60 -0.646 -29.450 -10.010 1.00 0.00 N ATOM 956 CA SER A 60 0.342 -30.554 -10.169 1.00 0.00 C ATOM 957 C SER A 60 0.144 -31.582 -9.054 1.00 0.00 C ATOM 958 O SER A 60 -0.530 -31.328 -8.075 1.00 0.00 O ATOM 959 CB SER A 60 1.761 -29.984 -10.091 1.00 0.00 C ATOM 960 OG SER A 60 2.214 -29.662 -11.397 1.00 0.00 O ATOM 0 H SER A 60 -0.628 -28.978 -9.106 1.00 0.00 H new ATOM 0 HA SER A 60 0.196 -31.035 -11.136 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.773 -29.095 -9.461 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.431 -30.710 -9.631 1.00 0.00 H new ATOM 0 HG SER A 60 3.122 -29.296 -11.347 1.00 0.00 H new ATOM 966 N PRO A 61 0.747 -32.770 -9.210 1.00 0.00 N ATOM 967 CA PRO A 61 0.642 -33.852 -8.221 1.00 0.00 C ATOM 968 C PRO A 61 1.360 -33.499 -6.916 1.00 0.00 C ATOM 969 O PRO A 61 1.021 -33.992 -5.858 1.00 0.00 O ATOM 970 CB PRO A 61 1.337 -35.029 -8.905 1.00 0.00 C ATOM 971 CG PRO A 61 2.272 -34.396 -9.878 1.00 0.00 C ATOM 972 CD PRO A 61 1.582 -33.153 -10.362 1.00 0.00 C ATOM 0 HA PRO A 61 -0.392 -34.056 -7.943 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.873 -35.647 -8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.619 -35.676 -9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.224 -34.155 -9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.489 -35.070 -10.707 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.295 -32.371 -10.622 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.981 -33.345 -11.251 1.00 0.00 H new ATOM 980 N LYS A 62 2.346 -32.648 -6.980 1.00 0.00 N ATOM 981 CA LYS A 62 3.079 -32.265 -5.741 1.00 0.00 C ATOM 982 C LYS A 62 2.143 -31.471 -4.827 1.00 0.00 C ATOM 983 O LYS A 62 2.345 -31.395 -3.632 1.00 0.00 O ATOM 984 CB LYS A 62 4.288 -31.403 -6.107 1.00 0.00 C ATOM 985 CG LYS A 62 5.261 -32.223 -6.957 1.00 0.00 C ATOM 986 CD LYS A 62 6.520 -31.398 -7.231 1.00 0.00 C ATOM 987 CE LYS A 62 7.450 -32.179 -8.160 1.00 0.00 C ATOM 988 NZ LYS A 62 8.652 -32.626 -7.399 1.00 0.00 N ATOM 0 H LYS A 62 2.676 -32.202 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 62 3.420 -33.163 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.965 -30.519 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.785 -31.052 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.524 -33.146 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.788 -32.508 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.251 -30.445 -7.686 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.030 -31.172 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.927 -33.041 -8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.750 -31.554 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.285 -33.157 -8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.154 -31.796 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.357 -33.237 -6.611 1.00 0.00 H new ATOM 1002 N THR A 63 1.119 -30.881 -5.381 1.00 0.00 N ATOM 1003 CA THR A 63 0.170 -30.096 -4.542 1.00 0.00 C ATOM 1004 C THR A 63 -0.659 -31.053 -3.685 1.00 0.00 C ATOM 1005 O THR A 63 -0.898 -30.810 -2.519 1.00 0.00 O ATOM 1006 CB THR A 63 -0.761 -29.284 -5.447 1.00 0.00 C ATOM 1007 OG1 THR A 63 0.017 -28.455 -6.300 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.682 -28.417 -4.588 1.00 0.00 C ATOM 0 H THR A 63 0.899 -30.909 -6.377 1.00 0.00 H new ATOM 0 HA THR A 63 0.729 -29.419 -3.896 1.00 0.00 H new ATOM 0 HB THR A 63 -1.365 -29.961 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.348 -27.684 -5.794 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.344 -27.840 -5.233 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.277 -29.055 -3.935 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.082 -27.738 -3.983 1.00 0.00 H new ATOM 1016 N ILE A 64 -1.095 -32.145 -4.253 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.904 -33.119 -3.471 1.00 0.00 C ATOM 1018 C ILE A 64 -1.031 -33.741 -2.379 1.00 0.00 C ATOM 1019 O ILE A 64 -1.455 -33.908 -1.252 1.00 0.00 O ATOM 1020 CB ILE A 64 -2.419 -34.218 -4.402 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -3.264 -33.591 -5.513 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -3.276 -35.204 -3.605 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -3.623 -34.659 -6.547 1.00 0.00 C ATOM 0 H ILE A 64 -0.925 -32.403 -5.225 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.750 -32.607 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.573 -34.746 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.171 -33.157 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.713 -32.780 -5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.643 -35.987 -4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.675 -35.652 -2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.122 -34.677 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.225 -34.212 -7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.710 -35.072 -6.975 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.191 -35.455 -6.066 1.00 0.00 H new ATOM 1035 N ASP A 65 0.186 -34.081 -2.703 1.00 0.00 N ATOM 1036 CA ASP A 65 1.086 -34.688 -1.682 1.00 0.00 C ATOM 1037 C ASP A 65 1.226 -33.731 -0.497 1.00 0.00 C ATOM 1038 O ASP A 65 1.222 -34.140 0.647 1.00 0.00 O ATOM 1039 CB ASP A 65 2.463 -34.939 -2.301 1.00 0.00 C ATOM 1040 CG ASP A 65 2.350 -36.023 -3.375 1.00 0.00 C ATOM 1041 OD1 ASP A 65 1.319 -36.674 -3.425 1.00 0.00 O ATOM 1042 OD2 ASP A 65 3.295 -36.184 -4.127 1.00 0.00 O ATOM 0 H ASP A 65 0.596 -33.965 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 65 0.665 -35.633 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.850 -34.018 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.169 -35.248 -1.530 1.00 0.00 H new ATOM 1047 N ALA A 66 1.347 -32.459 -0.762 1.00 0.00 N ATOM 1048 CA ALA A 66 1.485 -31.476 0.349 1.00 0.00 C ATOM 1049 C ALA A 66 0.220 -31.494 1.208 1.00 0.00 C ATOM 1050 O ALA A 66 0.279 -31.431 2.419 1.00 0.00 O ATOM 1051 CB ALA A 66 1.687 -30.075 -0.233 1.00 0.00 C ATOM 0 H ALA A 66 1.356 -32.058 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 66 2.344 -31.742 0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.788 -29.355 0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.589 -30.062 -0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.828 -29.809 -0.849 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.927 -31.579 0.591 1.00 0.00 N ATOM 1058 CA LEU A 67 -2.196 -31.600 1.372 1.00 0.00 C ATOM 1059 C LEU A 67 -2.215 -32.832 2.280 1.00 0.00 C ATOM 1060 O LEU A 67 -2.651 -32.774 3.412 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.386 -31.655 0.414 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.689 -31.607 1.215 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.882 -30.203 1.792 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.865 -31.948 0.297 1.00 0.00 C ATOM 0 H LEU A 67 -1.040 -31.635 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.262 -30.698 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.344 -30.818 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.346 -32.568 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.642 -32.331 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.810 -30.169 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.045 -29.960 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.929 -29.479 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.793 -31.914 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.912 -31.225 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.728 -32.948 -0.114 1.00 0.00 H new ATOM 1076 N MET A 68 -1.744 -33.948 1.792 1.00 0.00 N ATOM 1077 CA MET A 68 -1.736 -35.180 2.628 1.00 0.00 C ATOM 1078 C MET A 68 -0.757 -35.003 3.790 1.00 0.00 C ATOM 1079 O MET A 68 -0.953 -35.532 4.866 1.00 0.00 O ATOM 1080 CB MET A 68 -1.301 -36.373 1.772 1.00 0.00 C ATOM 1081 CG MET A 68 -2.418 -36.728 0.789 1.00 0.00 C ATOM 1082 SD MET A 68 -1.981 -38.244 -0.097 1.00 0.00 S ATOM 1083 CE MET A 68 -0.496 -37.610 -0.914 1.00 0.00 C ATOM 0 H MET A 68 -1.365 -34.058 0.851 1.00 0.00 H new ATOM 0 HA MET A 68 -2.737 -35.359 3.021 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.387 -36.131 1.229 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.076 -37.229 2.409 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.358 -36.864 1.324 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.569 -35.912 0.083 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.206 -38.286 -1.718 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.701 -36.622 -1.327 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.316 -37.539 -0.190 1.00 0.00 H new ATOM 1093 N ARG A 69 0.297 -34.261 3.583 1.00 0.00 N ATOM 1094 CA ARG A 69 1.287 -34.050 4.676 1.00 0.00 C ATOM 1095 C ARG A 69 0.671 -33.159 5.757 1.00 0.00 C ATOM 1096 O ARG A 69 0.994 -33.269 6.924 1.00 0.00 O ATOM 1097 CB ARG A 69 2.536 -33.375 4.109 1.00 0.00 C ATOM 1098 CG ARG A 69 3.201 -34.306 3.092 1.00 0.00 C ATOM 1099 CD ARG A 69 4.430 -33.616 2.496 1.00 0.00 C ATOM 1100 NE ARG A 69 5.490 -33.503 3.537 1.00 0.00 N ATOM 1101 CZ ARG A 69 6.656 -33.005 3.230 1.00 0.00 C ATOM 1102 NH1 ARG A 69 7.015 -32.907 1.979 1.00 0.00 N ATOM 1103 NH2 ARG A 69 7.464 -32.604 4.173 1.00 0.00 N ATOM 0 H ARG A 69 0.515 -33.792 2.704 1.00 0.00 H new ATOM 0 HA ARG A 69 1.560 -35.012 5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.269 -32.431 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.233 -33.140 4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.493 -35.239 3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.495 -34.562 2.302 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.802 -34.184 1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.161 -32.626 2.126 1.00 0.00 H new ATOM 0 HE ARG A 69 5.304 -33.815 4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.384 -33.220 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.927 -32.518 1.739 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.184 -32.680 5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.376 -32.215 3.932 1.00 0.00 H new ATOM 1117 N ILE A 70 -0.214 -32.278 5.380 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.849 -31.383 6.387 1.00 0.00 C ATOM 1119 C ILE A 70 -2.319 -31.771 6.560 1.00 0.00 C ATOM 1120 O ILE A 70 -3.023 -32.016 5.602 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.758 -29.933 5.909 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.705 -29.572 5.649 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.329 -29.005 6.984 1.00 0.00 C ATOM 1124 CD1 ILE A 70 0.785 -28.166 5.052 1.00 0.00 C ATOM 0 H ILE A 70 -0.525 -32.139 4.418 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.332 -31.485 7.341 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.329 -29.818 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.272 -29.617 6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.153 -30.294 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.264 -27.971 6.644 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.372 -29.262 7.170 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.758 -29.120 7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.828 -27.908 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.232 -28.137 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.353 -27.449 5.750 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.786 -31.830 7.778 1.00 0.00 N ATOM 1137 CA ASN A 71 -4.210 -32.203 8.010 1.00 0.00 C ATOM 1138 C ASN A 71 -5.028 -30.941 8.293 1.00 0.00 C ATOM 1139 O ASN A 71 -4.670 -30.131 9.125 1.00 0.00 O ATOM 1140 CB ASN A 71 -4.299 -33.148 9.209 1.00 0.00 C ATOM 1141 CG ASN A 71 -5.752 -33.582 9.410 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -6.425 -33.098 10.299 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -6.270 -34.478 8.616 1.00 0.00 N ATOM 0 H ASN A 71 -2.244 -31.636 8.620 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.605 -32.701 7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.667 -34.021 9.045 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.930 -32.651 10.106 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.239 -34.772 8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.706 -34.885 7.870 1.00 0.00 H new ATOM 1150 N LEU A 72 -6.126 -30.769 7.608 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.966 -29.561 7.839 1.00 0.00 C ATOM 1152 C LEU A 72 -7.347 -29.479 9.318 1.00 0.00 C ATOM 1153 O LEU A 72 -7.496 -30.483 9.986 1.00 0.00 O ATOM 1154 CB LEU A 72 -8.235 -29.652 6.989 1.00 0.00 C ATOM 1155 CG LEU A 72 -8.954 -30.970 7.286 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -10.287 -30.679 7.978 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -9.213 -31.715 5.974 1.00 0.00 C ATOM 0 H LEU A 72 -6.477 -31.413 6.899 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.405 -28.670 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.892 -28.810 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.982 -29.594 5.930 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.333 -31.585 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.800 -31.617 8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.104 -30.147 8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.909 -30.065 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.725 -32.654 6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.835 -31.100 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.264 -31.922 5.480 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.506 -28.252 9.836 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.871 -28.026 11.241 1.00 0.00 C ATOM 1171 C PRO A 73 -9.316 -28.444 11.527 1.00 0.00 C ATOM 1172 O PRO A 73 -10.176 -28.368 10.672 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.721 -26.514 11.409 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.901 -25.962 10.036 1.00 0.00 C ATOM 1175 CD PRO A 73 -7.344 -26.991 9.093 1.00 0.00 C ATOM 0 HA PRO A 73 -7.253 -28.608 11.924 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.467 -26.116 12.097 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.743 -26.256 11.815 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.954 -25.773 9.828 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.379 -25.011 9.927 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.888 -27.008 8.148 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.298 -26.795 8.855 1.00 0.00 H new ATOM 1183 N ALA A 74 -9.589 -28.884 12.725 1.00 0.00 N ATOM 1184 CA ALA A 74 -10.977 -29.306 13.065 1.00 0.00 C ATOM 1185 C ALA A 74 -11.935 -28.134 12.841 1.00 0.00 C ATOM 1186 O ALA A 74 -11.574 -26.985 13.003 1.00 0.00 O ATOM 1187 CB ALA A 74 -11.034 -29.739 14.531 1.00 0.00 C ATOM 0 H ALA A 74 -8.911 -28.969 13.482 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.269 -30.141 12.429 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.049 -30.048 14.780 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.351 -30.574 14.691 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.742 -28.904 15.168 1.00 0.00 H new ATOM 1193 N GLY A 75 -13.154 -28.415 12.470 1.00 0.00 N ATOM 1194 CA GLY A 75 -14.134 -27.317 12.237 1.00 0.00 C ATOM 1195 C GLY A 75 -14.119 -26.919 10.759 1.00 0.00 C ATOM 1196 O GLY A 75 -14.796 -25.998 10.349 1.00 0.00 O ATOM 0 H GLY A 75 -13.514 -29.357 12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.134 -27.641 12.526 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.885 -26.456 12.858 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.352 -27.605 9.956 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.298 -27.263 8.507 1.00 0.00 C ATOM 1202 C VAL A 76 -13.593 -28.512 7.674 1.00 0.00 C ATOM 1203 O VAL A 76 -13.278 -29.619 8.064 1.00 0.00 O ATOM 1204 CB VAL A 76 -11.904 -26.737 8.158 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -11.877 -26.295 6.693 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.571 -25.544 9.056 1.00 0.00 C ATOM 0 H VAL A 76 -12.761 -28.386 10.241 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.042 -26.497 8.289 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.168 -27.526 8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.884 -25.920 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.115 -27.144 6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.612 -25.505 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.578 -25.168 8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.307 -24.755 8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.590 -25.858 10.100 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.196 -28.344 6.530 1.00 0.00 N ATOM 1217 CA ASP A 77 -14.511 -29.521 5.673 1.00 0.00 C ATOM 1218 C ASP A 77 -14.161 -29.200 4.218 1.00 0.00 C ATOM 1219 O ASP A 77 -14.125 -28.054 3.817 1.00 0.00 O ATOM 1220 CB ASP A 77 -16.002 -29.845 5.778 1.00 0.00 C ATOM 1221 CG ASP A 77 -16.309 -31.107 4.970 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -15.370 -31.808 4.623 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -17.474 -31.353 4.710 1.00 0.00 O ATOM 0 H ASP A 77 -14.484 -27.442 6.151 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.928 -30.380 6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.280 -29.992 6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.594 -29.009 5.405 1.00 0.00 H new