USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 781 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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.868 K(o=-0.87,f=-5.3!) USER MOD Single : A 26 GLN : amide:sc= 0.145 K(o=0.15,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.521) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0.562 (180deg=0.49) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.519 USER MOD Single : A 40 SER OG : rot -99:sc= 0.147 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 165:sc= -2.37 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.78 K(o=-1.8,f=-5.6!) USER MOD Single : A 64 GLN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -2.41 K(o=-2.4,f=-5.3!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -4.2! C(o=-4.2!,f=-4.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 101:sc= 1.1 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 166:sc= -1.26 (180deg=-1.41) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 104 SER OG : rot 180:sc= -1.27 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 17 -12.810 -9.091 -19.287 1.00 0.00 N ATOM 2 CA LYS A 17 -13.832 -9.418 -18.301 1.00 0.00 C ATOM 3 C LYS A 17 -13.200 -9.892 -16.997 1.00 0.00 C ATOM 4 O LYS A 17 -13.054 -11.093 -16.766 1.00 0.00 O ATOM 5 CB LYS A 17 -14.770 -10.496 -18.847 1.00 0.00 C ATOM 6 CG LYS A 17 -16.214 -10.327 -18.403 1.00 0.00 C ATOM 7 CD LYS A 17 -17.145 -11.249 -19.172 1.00 0.00 C ATOM 8 CE LYS A 17 -17.864 -10.511 -20.290 1.00 0.00 C ATOM 9 NZ LYS A 17 -17.212 -10.729 -21.610 1.00 0.00 N ATOM 0 HA LYS A 17 -14.406 -8.514 -18.097 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.730 -10.483 -19.936 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.412 -11.474 -18.526 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -16.294 -10.535 -17.336 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -16.522 -9.292 -18.550 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.574 -12.078 -19.591 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.878 -11.680 -18.489 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -18.900 -10.846 -20.338 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.883 -9.444 -20.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.733 -10.209 -22.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.231 -10.387 -21.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.216 -11.744 -21.836 1.00 0.00 H new ATOM 23 N ARG A 18 -12.824 -8.941 -16.148 1.00 0.00 N ATOM 24 CA ARG A 18 -12.208 -9.261 -14.866 1.00 0.00 C ATOM 25 C ARG A 18 -12.868 -8.478 -13.734 1.00 0.00 C ATOM 26 O ARG A 18 -13.619 -7.534 -13.977 1.00 0.00 O ATOM 27 CB ARG A 18 -10.709 -8.955 -14.908 1.00 0.00 C ATOM 28 CG ARG A 18 -9.855 -9.998 -14.207 1.00 0.00 C ATOM 29 CD ARG A 18 -8.432 -9.503 -13.995 1.00 0.00 C ATOM 30 NE ARG A 18 -7.906 -9.890 -12.687 1.00 0.00 N ATOM 31 CZ ARG A 18 -7.435 -11.104 -12.408 1.00 0.00 C ATOM 32 NH1 ARG A 18 -7.421 -12.049 -13.338 1.00 0.00 N ATOM 33 NH2 ARG A 18 -6.976 -11.371 -11.192 1.00 0.00 N ATOM 0 H ARG A 18 -12.935 -7.943 -16.325 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.350 -10.325 -14.677 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.392 -8.877 -15.948 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.532 -7.983 -14.447 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.301 -10.248 -13.245 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.839 -10.913 -14.798 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.788 -9.904 -14.778 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.408 -8.417 -14.088 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.899 -9.190 -11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.772 -11.848 -14.274 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.059 -12.977 -13.117 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.984 -10.647 -10.473 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.615 -12.300 -10.976 1.00 0.00 H new ATOM 47 N VAL A 19 -12.578 -8.874 -12.500 1.00 0.00 N ATOM 48 CA VAL A 19 -13.142 -8.207 -11.331 1.00 0.00 C ATOM 49 C VAL A 19 -12.089 -7.399 -10.589 1.00 0.00 C ATOM 50 O VAL A 19 -12.339 -6.865 -9.510 1.00 0.00 O ATOM 51 CB VAL A 19 -13.761 -9.219 -10.357 1.00 0.00 C ATOM 52 CG1 VAL A 19 -14.519 -8.505 -9.249 1.00 0.00 C ATOM 53 CG2 VAL A 19 -14.666 -10.194 -11.097 1.00 0.00 C ATOM 0 H VAL A 19 -11.956 -9.653 -12.282 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.917 -7.536 -11.700 1.00 0.00 H new ATOM 0 HB VAL A 19 -12.954 -9.790 -9.898 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -14.950 -9.241 -8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.835 -7.859 -8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -15.316 -7.902 -9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.094 -10.903 -10.388 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -15.468 -9.644 -11.590 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.085 -10.735 -11.844 1.00 0.00 H new ATOM 63 N GLY A 20 -10.918 -7.318 -11.184 1.00 0.00 N ATOM 64 CA GLY A 20 -9.823 -6.578 -10.588 1.00 0.00 C ATOM 65 C GLY A 20 -8.859 -6.039 -11.627 1.00 0.00 C ATOM 66 O GLY A 20 -8.672 -6.646 -12.683 1.00 0.00 O ATOM 0 H GLY A 20 -10.699 -7.755 -12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.223 -5.750 -10.003 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.284 -7.226 -9.897 1.00 0.00 H new ATOM 70 N LYS A 21 -8.248 -4.896 -11.330 1.00 0.00 N ATOM 71 CA LYS A 21 -7.300 -4.278 -12.250 1.00 0.00 C ATOM 72 C LYS A 21 -6.173 -3.586 -11.489 1.00 0.00 C ATOM 73 O LYS A 21 -6.117 -3.638 -10.260 1.00 0.00 O ATOM 74 CB LYS A 21 -8.015 -3.277 -13.163 1.00 0.00 C ATOM 75 CG LYS A 21 -8.428 -1.989 -12.463 1.00 0.00 C ATOM 76 CD LYS A 21 -9.300 -2.267 -11.250 1.00 0.00 C ATOM 77 CE LYS A 21 -10.291 -1.140 -11.003 1.00 0.00 C ATOM 78 NZ LYS A 21 -11.702 -1.609 -11.100 1.00 0.00 N ATOM 0 H LYS A 21 -8.392 -4.380 -10.462 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.864 -5.065 -12.865 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.360 -3.031 -13.999 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.902 -3.752 -13.582 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.538 -1.440 -12.154 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.969 -1.351 -13.162 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.841 -3.202 -11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.670 -2.397 -10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.117 -0.714 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.123 -0.343 -11.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.346 -0.811 -10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.876 -1.992 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.871 -2.351 -10.391 1.00 0.00 H new ATOM 92 N ARG A 22 -5.277 -2.942 -12.228 1.00 0.00 N ATOM 93 CA ARG A 22 -4.151 -2.241 -11.627 1.00 0.00 C ATOM 94 C ARG A 22 -4.171 -0.760 -11.995 1.00 0.00 C ATOM 95 O ARG A 22 -4.583 -0.389 -13.094 1.00 0.00 O ATOM 96 CB ARG A 22 -2.836 -2.873 -12.081 1.00 0.00 C ATOM 97 CG ARG A 22 -1.618 -2.304 -11.377 1.00 0.00 C ATOM 98 CD ARG A 22 -0.466 -2.081 -12.342 1.00 0.00 C ATOM 99 NE ARG A 22 -0.063 -3.316 -13.009 1.00 0.00 N ATOM 100 CZ ARG A 22 0.799 -3.365 -14.024 1.00 0.00 C ATOM 101 NH1 ARG A 22 1.348 -2.250 -14.491 1.00 0.00 N ATOM 102 NH2 ARG A 22 1.112 -4.531 -14.572 1.00 0.00 N ATOM 0 H ARG A 22 -5.310 -2.891 -13.246 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.236 -2.327 -10.544 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.879 -3.948 -11.905 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.725 -2.730 -13.156 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.881 -1.360 -10.900 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.304 -2.985 -10.586 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.757 -1.344 -13.090 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.385 -1.667 -11.801 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.465 -4.193 -12.678 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.111 -1.351 -14.073 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.007 -2.293 -15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.693 -5.390 -14.217 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.772 -4.569 -15.349 1.00 0.00 H new ATOM 116 N LEU A 23 -3.723 0.080 -11.068 1.00 0.00 N ATOM 117 CA LEU A 23 -3.691 1.522 -11.299 1.00 0.00 C ATOM 118 C LEU A 23 -2.449 2.149 -10.673 1.00 0.00 C ATOM 119 O LEU A 23 -1.959 1.690 -9.642 1.00 0.00 O ATOM 120 CB LEU A 23 -4.949 2.199 -10.739 1.00 0.00 C ATOM 121 CG LEU A 23 -6.019 1.253 -10.198 1.00 0.00 C ATOM 122 CD1 LEU A 23 -6.748 1.884 -9.022 1.00 0.00 C ATOM 123 CD2 LEU A 23 -7.000 0.873 -11.298 1.00 0.00 C ATOM 0 H LEU A 23 -3.378 -0.210 -10.153 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.659 1.678 -12.377 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.650 2.877 -9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.393 2.810 -11.525 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.529 0.345 -9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.506 1.194 -8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.035 2.102 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.226 2.809 -9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.755 0.199 -10.895 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.483 1.772 -11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.465 0.376 -12.107 1.00 0.00 H new ATOM 135 N ASN A 24 -1.951 3.207 -11.303 1.00 0.00 N ATOM 136 CA ASN A 24 -0.773 3.910 -10.808 1.00 0.00 C ATOM 137 C ASN A 24 -1.180 5.230 -10.160 1.00 0.00 C ATOM 138 O ASN A 24 -2.068 5.923 -10.655 1.00 0.00 O ATOM 139 CB ASN A 24 0.212 4.169 -11.949 1.00 0.00 C ATOM 140 CG ASN A 24 1.578 4.601 -11.450 1.00 0.00 C ATOM 141 OD1 ASN A 24 1.689 5.477 -10.591 1.00 0.00 O ATOM 142 ND2 ASN A 24 2.626 3.984 -11.985 1.00 0.00 N ATOM 0 H ASN A 24 -2.345 3.597 -12.159 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.286 3.285 -10.060 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.317 3.264 -12.547 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.192 4.940 -12.606 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.570 4.230 -11.687 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.487 3.264 -12.694 1.00 0.00 H new ATOM 149 N ILE A 25 -0.537 5.571 -9.048 1.00 0.00 N ATOM 150 CA ILE A 25 -0.856 6.806 -8.342 1.00 0.00 C ATOM 151 C ILE A 25 0.401 7.525 -7.862 1.00 0.00 C ATOM 152 O ILE A 25 1.282 6.922 -7.247 1.00 0.00 O ATOM 153 CB ILE A 25 -1.778 6.534 -7.135 1.00 0.00 C ATOM 154 CG1 ILE A 25 -3.068 5.854 -7.600 1.00 0.00 C ATOM 155 CG2 ILE A 25 -2.092 7.827 -6.396 1.00 0.00 C ATOM 156 CD1 ILE A 25 -3.162 4.399 -7.199 1.00 0.00 C ATOM 0 H ILE A 25 0.202 5.014 -8.619 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.374 7.448 -9.054 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.260 5.867 -6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.922 6.392 -7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.138 5.929 -8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.743 7.613 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.165 8.275 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.592 8.520 -7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.101 3.982 -7.562 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.328 3.847 -7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.124 4.318 -6.113 1.00 0.00 H new ATOM 168 N GLN A 26 0.467 8.823 -8.139 1.00 0.00 N ATOM 169 CA GLN A 26 1.599 9.644 -7.729 1.00 0.00 C ATOM 170 C GLN A 26 1.167 10.618 -6.639 1.00 0.00 C ATOM 171 O GLN A 26 0.288 11.453 -6.855 1.00 0.00 O ATOM 172 CB GLN A 26 2.169 10.412 -8.924 1.00 0.00 C ATOM 173 CG GLN A 26 2.167 9.617 -10.221 1.00 0.00 C ATOM 174 CD GLN A 26 1.167 10.147 -11.230 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.041 9.982 -11.068 1.00 0.00 O ATOM 176 NE2 GLN A 26 1.669 10.791 -12.279 1.00 0.00 N ATOM 0 H GLN A 26 -0.256 9.331 -8.649 1.00 0.00 H new ATOM 0 HA GLN A 26 2.378 8.990 -7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.591 11.325 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.191 10.715 -8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.165 9.640 -10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.939 8.574 -10.003 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.678 10.904 -12.373 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.045 11.172 -12.990 1.00 0.00 H new ATOM 185 N LEU A 27 1.768 10.494 -5.460 1.00 0.00 N ATOM 186 CA LEU A 27 1.418 11.357 -4.338 1.00 0.00 C ATOM 187 C LEU A 27 2.549 12.308 -3.974 1.00 0.00 C ATOM 188 O LEU A 27 3.649 11.883 -3.617 1.00 0.00 O ATOM 189 CB LEU A 27 1.041 10.508 -3.127 1.00 0.00 C ATOM 190 CG LEU A 27 0.039 9.397 -3.423 1.00 0.00 C ATOM 191 CD1 LEU A 27 -0.011 8.398 -2.276 1.00 0.00 C ATOM 192 CD2 LEU A 27 -1.339 9.980 -3.689 1.00 0.00 C ATOM 0 H LEU A 27 2.496 9.808 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 27 0.565 11.963 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.947 10.063 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.626 11.159 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 27 0.367 8.869 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.732 7.614 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.975 7.955 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.312 8.909 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.041 9.173 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.675 10.535 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.291 10.651 -4.547 1.00 0.00 H new ATOM 204 N LYS A 28 2.257 13.599 -4.057 1.00 0.00 N ATOM 205 CA LYS A 28 3.228 14.633 -3.730 1.00 0.00 C ATOM 206 C LYS A 28 3.485 14.671 -2.227 1.00 0.00 C ATOM 207 O LYS A 28 2.650 15.145 -1.457 1.00 0.00 O ATOM 208 CB LYS A 28 2.721 15.997 -4.202 1.00 0.00 C ATOM 209 CG LYS A 28 3.725 17.118 -4.001 1.00 0.00 C ATOM 210 CD LYS A 28 4.978 16.889 -4.829 1.00 0.00 C ATOM 211 CE LYS A 28 5.894 18.102 -4.798 1.00 0.00 C ATOM 212 NZ LYS A 28 7.313 17.732 -5.055 1.00 0.00 N ATOM 0 H LYS A 28 1.348 13.956 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 28 4.163 14.401 -4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.465 15.935 -5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.804 16.241 -3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.272 18.070 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.991 17.187 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.512 16.018 -4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.699 16.668 -5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.566 18.824 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.816 18.591 -3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.884 17.941 -4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.373 16.717 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.674 18.280 -5.862 1.00 0.00 H new ATOM 226 N LYS A 29 4.642 14.167 -1.814 1.00 0.00 N ATOM 227 CA LYS A 29 5.003 14.144 -0.401 1.00 0.00 C ATOM 228 C LYS A 29 4.958 15.547 0.197 1.00 0.00 C ATOM 229 O LYS A 29 5.704 16.435 -0.217 1.00 0.00 O ATOM 230 CB LYS A 29 6.397 13.542 -0.217 1.00 0.00 C ATOM 231 CG LYS A 29 6.834 13.463 1.236 1.00 0.00 C ATOM 232 CD LYS A 29 7.417 12.100 1.573 1.00 0.00 C ATOM 233 CE LYS A 29 7.069 11.685 2.993 1.00 0.00 C ATOM 234 NZ LYS A 29 7.334 10.239 3.231 1.00 0.00 N ATOM 0 H LYS A 29 5.346 13.769 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 29 4.276 13.523 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.412 12.541 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.119 14.140 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.576 14.236 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.981 13.665 1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.038 11.357 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.500 12.126 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.649 12.281 3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.017 11.898 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.915 9.954 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.912 9.678 2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.360 10.074 3.256 1.00 0.00 H new ATOM 248 N GLY A 30 4.078 15.740 1.174 1.00 0.00 N ATOM 249 CA GLY A 30 3.948 17.036 1.814 1.00 0.00 C ATOM 250 C GLY A 30 4.007 16.945 3.326 1.00 0.00 C ATOM 251 O GLY A 30 5.051 17.194 3.928 1.00 0.00 O ATOM 0 H GLY A 30 3.451 15.020 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.743 17.693 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.003 17.491 1.517 1.00 0.00 H new ATOM 255 N THR A 31 2.883 16.591 3.940 1.00 0.00 N ATOM 256 CA THR A 31 2.813 16.470 5.392 1.00 0.00 C ATOM 257 C THR A 31 2.043 15.218 5.798 1.00 0.00 C ATOM 258 O THR A 31 1.229 14.701 5.031 1.00 0.00 O ATOM 259 CB THR A 31 2.148 17.708 5.995 1.00 0.00 C ATOM 260 OG1 THR A 31 0.988 18.060 5.263 1.00 0.00 O ATOM 261 CG2 THR A 31 3.056 18.919 6.029 1.00 0.00 C ATOM 0 H THR A 31 2.009 16.383 3.456 1.00 0.00 H new ATOM 0 HA THR A 31 3.831 16.388 5.774 1.00 0.00 H new ATOM 0 HB THR A 31 1.900 17.433 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.576 18.853 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.522 19.762 6.468 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.938 18.696 6.629 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.362 19.173 5.014 1.00 0.00 H new ATOM 269 N GLU A 32 2.305 14.734 7.009 1.00 0.00 N ATOM 270 CA GLU A 32 1.637 13.541 7.517 1.00 0.00 C ATOM 271 C GLU A 32 1.873 12.350 6.594 1.00 0.00 C ATOM 272 O GLU A 32 0.931 11.665 6.193 1.00 0.00 O ATOM 273 CB GLU A 32 0.136 13.799 7.671 1.00 0.00 C ATOM 274 CG GLU A 32 -0.248 14.363 9.029 1.00 0.00 C ATOM 275 CD GLU A 32 -1.367 13.582 9.690 1.00 0.00 C ATOM 276 OE1 GLU A 32 -2.542 13.810 9.333 1.00 0.00 O ATOM 277 OE2 GLU A 32 -1.068 12.743 10.566 1.00 0.00 O ATOM 0 H GLU A 32 2.975 15.150 7.656 1.00 0.00 H new ATOM 0 HA GLU A 32 2.058 13.305 8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.187 14.493 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.403 12.866 7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.626 14.359 9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.555 15.402 8.913 1.00 0.00 H new ATOM 284 N GLY A 33 3.135 12.110 6.257 1.00 0.00 N ATOM 285 CA GLY A 33 3.469 11.003 5.379 1.00 0.00 C ATOM 286 C GLY A 33 2.751 11.082 4.048 1.00 0.00 C ATOM 287 O GLY A 33 3.120 11.877 3.182 1.00 0.00 O ATOM 0 H GLY A 33 3.932 12.661 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.545 10.991 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.214 10.064 5.870 1.00 0.00 H new ATOM 291 N LEU A 34 1.720 10.260 3.881 1.00 0.00 N ATOM 292 CA LEU A 34 0.949 10.244 2.645 1.00 0.00 C ATOM 293 C LEU A 34 -0.543 10.381 2.930 1.00 0.00 C ATOM 294 O LEU A 34 -1.269 11.039 2.185 1.00 0.00 O ATOM 295 CB LEU A 34 1.219 8.955 1.870 1.00 0.00 C ATOM 296 CG LEU A 34 2.630 8.836 1.291 1.00 0.00 C ATOM 297 CD1 LEU A 34 2.867 7.435 0.750 1.00 0.00 C ATOM 298 CD2 LEU A 34 2.848 9.877 0.203 1.00 0.00 C ATOM 0 H LEU A 34 1.400 9.597 4.587 1.00 0.00 H new ATOM 0 HA LEU A 34 1.261 11.095 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.040 8.107 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.500 8.881 1.054 1.00 0.00 H new ATOM 0 HG LEU A 34 3.349 9.020 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.876 7.368 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.753 6.710 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.143 7.221 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.857 9.778 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.123 9.725 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.721 10.875 0.623 1.00 0.00 H new ATOM 310 N GLY A 35 -0.996 9.756 4.013 1.00 0.00 N ATOM 311 CA GLY A 35 -2.400 9.825 4.374 1.00 0.00 C ATOM 312 C GLY A 35 -3.086 8.475 4.328 1.00 0.00 C ATOM 313 O GLY A 35 -4.315 8.399 4.335 1.00 0.00 O ATOM 0 H GLY A 35 -0.417 9.204 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.492 10.240 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.911 10.510 3.698 1.00 0.00 H new ATOM 317 N PHE A 36 -2.299 7.407 4.276 1.00 0.00 N ATOM 318 CA PHE A 36 -2.858 6.063 4.222 1.00 0.00 C ATOM 319 C PHE A 36 -1.927 5.048 4.873 1.00 0.00 C ATOM 320 O PHE A 36 -0.707 5.117 4.718 1.00 0.00 O ATOM 321 CB PHE A 36 -3.134 5.664 2.770 1.00 0.00 C ATOM 322 CG PHE A 36 -1.888 5.504 1.945 1.00 0.00 C ATOM 323 CD1 PHE A 36 -1.243 4.281 1.871 1.00 0.00 C ATOM 324 CD2 PHE A 36 -1.364 6.579 1.243 1.00 0.00 C ATOM 325 CE1 PHE A 36 -0.096 4.130 1.114 1.00 0.00 C ATOM 326 CE2 PHE A 36 -0.218 6.434 0.484 1.00 0.00 C ATOM 327 CZ PHE A 36 0.417 5.209 0.419 1.00 0.00 C ATOM 0 H PHE A 36 -1.280 7.445 4.270 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.795 6.068 4.779 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.691 4.727 2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.771 6.419 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.641 3.435 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.856 7.539 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.398 3.171 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.181 7.278 -0.058 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.313 5.095 -0.174 1.00 0.00 H new ATOM 337 N SER A 37 -2.515 4.095 5.589 1.00 0.00 N ATOM 338 CA SER A 37 -1.744 3.052 6.251 1.00 0.00 C ATOM 339 C SER A 37 -1.917 1.733 5.509 1.00 0.00 C ATOM 340 O SER A 37 -3.028 1.365 5.131 1.00 0.00 O ATOM 341 CB SER A 37 -2.191 2.899 7.706 1.00 0.00 C ATOM 342 OG SER A 37 -1.371 3.663 8.573 1.00 0.00 O ATOM 0 H SER A 37 -3.523 4.025 5.725 1.00 0.00 H new ATOM 0 HA SER A 37 -0.691 3.333 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.229 3.218 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.151 1.848 7.994 1.00 0.00 H new ATOM 0 HG SER A 37 -1.678 3.550 9.497 1.00 0.00 H new ATOM 348 N ILE A 38 -0.812 1.030 5.287 1.00 0.00 N ATOM 349 CA ILE A 38 -0.859 -0.238 4.571 1.00 0.00 C ATOM 350 C ILE A 38 -0.768 -1.428 5.511 1.00 0.00 C ATOM 351 O ILE A 38 0.001 -1.429 6.471 1.00 0.00 O ATOM 352 CB ILE A 38 0.270 -0.349 3.535 1.00 0.00 C ATOM 353 CG1 ILE A 38 1.618 -0.033 4.182 1.00 0.00 C ATOM 354 CG2 ILE A 38 0.003 0.579 2.362 1.00 0.00 C ATOM 355 CD1 ILE A 38 2.798 -0.258 3.265 1.00 0.00 C ATOM 0 H ILE A 38 0.120 1.314 5.590 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.823 -0.255 4.063 1.00 0.00 H new ATOM 0 HB ILE A 38 0.303 -1.372 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.618 1.006 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.738 -0.650 5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.811 0.490 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.941 0.306 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.053 1.608 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.720 -0.013 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.824 -1.303 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.702 0.379 2.386 1.00 0.00 H new ATOM 367 N THR A 39 -1.555 -2.448 5.205 1.00 0.00 N ATOM 368 CA THR A 39 -1.570 -3.674 5.995 1.00 0.00 C ATOM 369 C THR A 39 -0.765 -4.762 5.295 1.00 0.00 C ATOM 370 O THR A 39 -0.347 -4.596 4.149 1.00 0.00 O ATOM 371 CB THR A 39 -3.005 -4.155 6.219 1.00 0.00 C ATOM 372 OG1 THR A 39 -3.016 -5.493 6.682 1.00 0.00 O ATOM 373 CG2 THR A 39 -3.860 -4.095 4.973 1.00 0.00 C ATOM 0 H THR A 39 -2.196 -2.453 4.411 1.00 0.00 H new ATOM 0 HA THR A 39 -1.117 -3.461 6.963 1.00 0.00 H new ATOM 0 HB THR A 39 -3.425 -3.475 6.960 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.942 -5.783 6.821 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.864 -4.450 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.912 -3.066 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.421 -4.725 4.200 1.00 0.00 H new ATOM 381 N SER A 40 -0.547 -5.872 5.986 1.00 0.00 N ATOM 382 CA SER A 40 0.211 -6.982 5.422 1.00 0.00 C ATOM 383 C SER A 40 -0.348 -8.321 5.887 1.00 0.00 C ATOM 384 O SER A 40 -0.537 -8.542 7.083 1.00 0.00 O ATOM 385 CB SER A 40 1.686 -6.869 5.809 1.00 0.00 C ATOM 386 OG SER A 40 2.439 -7.944 5.275 1.00 0.00 O ATOM 0 H SER A 40 -0.883 -6.029 6.936 1.00 0.00 H new ATOM 0 HA SER A 40 0.122 -6.932 4.337 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.089 -5.924 5.446 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.780 -6.859 6.895 1.00 0.00 H new ATOM 0 HG SER A 40 2.580 -8.621 5.969 1.00 0.00 H new ATOM 392 N ARG A 41 -0.605 -9.213 4.935 1.00 0.00 N ATOM 393 CA ARG A 41 -1.138 -10.532 5.257 1.00 0.00 C ATOM 394 C ARG A 41 -0.180 -11.295 6.168 1.00 0.00 C ATOM 395 O ARG A 41 -0.594 -12.183 6.915 1.00 0.00 O ATOM 396 CB ARG A 41 -1.393 -11.333 3.980 1.00 0.00 C ATOM 397 CG ARG A 41 -2.204 -12.598 4.208 1.00 0.00 C ATOM 398 CD ARG A 41 -2.318 -13.424 2.937 1.00 0.00 C ATOM 399 NE ARG A 41 -2.796 -14.779 3.206 1.00 0.00 N ATOM 400 CZ ARG A 41 -4.048 -15.067 3.557 1.00 0.00 C ATOM 401 NH1 ARG A 41 -4.949 -14.101 3.683 1.00 0.00 N ATOM 402 NH2 ARG A 41 -4.399 -16.325 3.785 1.00 0.00 N ATOM 0 H ARG A 41 -0.454 -9.048 3.940 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.083 -10.395 5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.916 -10.701 3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.436 -11.600 3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.736 -13.195 4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.200 -12.334 4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.999 -12.930 2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.345 -13.473 2.448 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.132 -15.549 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.684 -13.131 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.906 -14.328 3.952 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.710 -17.072 3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.358 -16.546 4.054 1.00 0.00 H new ATOM 416 N ASP A 42 1.100 -10.942 6.103 1.00 0.00 N ATOM 417 CA ASP A 42 2.118 -11.591 6.921 1.00 0.00 C ATOM 418 C ASP A 42 2.235 -13.071 6.575 1.00 0.00 C ATOM 419 O ASP A 42 1.930 -13.939 7.394 1.00 0.00 O ATOM 420 CB ASP A 42 1.792 -11.423 8.407 1.00 0.00 C ATOM 421 CG ASP A 42 1.723 -9.966 8.825 1.00 0.00 C ATOM 422 OD1 ASP A 42 2.219 -9.106 8.066 1.00 0.00 O ATOM 423 OD2 ASP A 42 1.172 -9.685 9.910 1.00 0.00 O ATOM 0 H ASP A 42 1.457 -10.208 5.491 1.00 0.00 H new ATOM 0 HA ASP A 42 3.075 -11.114 6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.839 -11.905 8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.550 -11.933 9.002 1.00 0.00 H new ATOM 428 N VAL A 43 2.683 -13.354 5.357 1.00 0.00 N ATOM 429 CA VAL A 43 2.843 -14.728 4.900 1.00 0.00 C ATOM 430 C VAL A 43 4.087 -15.362 5.509 1.00 0.00 C ATOM 431 O VAL A 43 4.051 -16.494 5.992 1.00 0.00 O ATOM 432 CB VAL A 43 2.941 -14.806 3.365 1.00 0.00 C ATOM 433 CG1 VAL A 43 2.981 -16.254 2.903 1.00 0.00 C ATOM 434 CG2 VAL A 43 1.781 -14.063 2.720 1.00 0.00 C ATOM 0 H VAL A 43 2.942 -12.648 4.668 1.00 0.00 H new ATOM 0 HA VAL A 43 1.958 -15.275 5.225 1.00 0.00 H new ATOM 0 HB VAL A 43 3.869 -14.327 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.050 -16.287 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.849 -16.751 3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.073 -16.764 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.865 -14.128 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.840 -14.511 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.805 -13.016 3.024 1.00 0.00 H new ATOM 444 N THR A 44 5.188 -14.621 5.484 1.00 0.00 N ATOM 445 CA THR A 44 6.448 -15.107 6.036 1.00 0.00 C ATOM 446 C THR A 44 7.203 -13.985 6.740 1.00 0.00 C ATOM 447 O THR A 44 6.871 -12.809 6.593 1.00 0.00 O ATOM 448 CB THR A 44 7.319 -15.709 4.931 1.00 0.00 C ATOM 449 OG1 THR A 44 8.668 -15.818 5.356 1.00 0.00 O ATOM 450 CG2 THR A 44 7.304 -14.910 3.647 1.00 0.00 C ATOM 0 H THR A 44 5.235 -13.682 5.088 1.00 0.00 H new ATOM 0 HA THR A 44 6.218 -15.881 6.768 1.00 0.00 H new ATOM 0 HB THR A 44 6.887 -16.690 4.731 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.207 -16.207 4.636 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.943 -15.395 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.285 -14.855 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.674 -13.903 3.841 1.00 0.00 H new ATOM 458 N ILE A 45 8.219 -14.360 7.509 1.00 0.00 N ATOM 459 CA ILE A 45 9.024 -13.391 8.242 1.00 0.00 C ATOM 460 C ILE A 45 9.746 -12.441 7.294 1.00 0.00 C ATOM 461 O ILE A 45 9.455 -11.245 7.255 1.00 0.00 O ATOM 462 CB ILE A 45 10.060 -14.088 9.140 1.00 0.00 C ATOM 463 CG1 ILE A 45 9.417 -15.261 9.876 1.00 0.00 C ATOM 464 CG2 ILE A 45 10.657 -13.095 10.127 1.00 0.00 C ATOM 465 CD1 ILE A 45 9.952 -16.610 9.446 1.00 0.00 C ATOM 0 H ILE A 45 8.505 -15.330 7.641 1.00 0.00 H new ATOM 0 HA ILE A 45 8.337 -12.820 8.867 1.00 0.00 H new ATOM 0 HB ILE A 45 10.864 -14.474 8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.578 -15.140 10.947 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.340 -15.237 9.711 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.389 -13.602 10.756 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.146 -12.288 9.581 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.865 -12.682 10.752 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.451 -17.397 10.010 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.767 -16.752 8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.024 -16.654 9.637 1.00 0.00 H new ATOM 477 N GLY A 46 10.688 -12.983 6.535 1.00 0.00 N ATOM 478 CA GLY A 46 11.443 -12.176 5.596 1.00 0.00 C ATOM 479 C GLY A 46 11.433 -12.754 4.194 1.00 0.00 C ATOM 480 O GLY A 46 12.485 -13.066 3.636 1.00 0.00 O ATOM 0 H GLY A 46 10.944 -13.970 6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.029 -11.168 5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.473 -12.089 5.942 1.00 0.00 H new ATOM 484 N GLY A 47 10.240 -12.896 3.623 1.00 0.00 N ATOM 485 CA GLY A 47 10.119 -13.439 2.284 1.00 0.00 C ATOM 486 C GLY A 47 9.314 -12.541 1.365 1.00 0.00 C ATOM 487 O GLY A 47 9.799 -11.501 0.923 1.00 0.00 O ATOM 0 H GLY A 47 9.356 -12.644 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.114 -13.586 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.646 -14.420 2.334 1.00 0.00 H new ATOM 491 N SER A 48 8.079 -12.943 1.080 1.00 0.00 N ATOM 492 CA SER A 48 7.206 -12.167 0.210 1.00 0.00 C ATOM 493 C SER A 48 5.772 -12.175 0.731 1.00 0.00 C ATOM 494 O SER A 48 5.059 -13.170 0.605 1.00 0.00 O ATOM 495 CB SER A 48 7.245 -12.719 -1.214 1.00 0.00 C ATOM 496 OG SER A 48 8.423 -13.477 -1.436 1.00 0.00 O ATOM 0 H SER A 48 7.662 -13.802 1.439 1.00 0.00 H new ATOM 0 HA SER A 48 7.566 -11.138 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.369 -13.343 -1.389 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.198 -11.896 -1.928 1.00 0.00 H new ATOM 0 HG SER A 48 8.423 -13.820 -2.354 1.00 0.00 H new ATOM 502 N ALA A 49 5.356 -11.056 1.316 1.00 0.00 N ATOM 503 CA ALA A 49 4.009 -10.931 1.854 1.00 0.00 C ATOM 504 C ALA A 49 3.219 -9.858 1.106 1.00 0.00 C ATOM 505 O ALA A 49 3.753 -8.797 0.783 1.00 0.00 O ATOM 506 CB ALA A 49 4.061 -10.615 3.341 1.00 0.00 C ATOM 0 H ALA A 49 5.934 -10.223 1.429 1.00 0.00 H new ATOM 0 HA ALA A 49 3.498 -11.884 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.047 -10.524 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.580 -11.417 3.866 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.594 -9.677 3.495 1.00 0.00 H new ATOM 512 N PRO A 50 1.933 -10.122 0.814 1.00 0.00 N ATOM 513 CA PRO A 50 1.077 -9.171 0.094 1.00 0.00 C ATOM 514 C PRO A 50 0.704 -7.958 0.939 1.00 0.00 C ATOM 515 O PRO A 50 0.100 -8.092 2.008 1.00 0.00 O ATOM 516 CB PRO A 50 -0.168 -9.997 -0.238 1.00 0.00 C ATOM 517 CG PRO A 50 -0.217 -11.045 0.819 1.00 0.00 C ATOM 518 CD PRO A 50 1.214 -11.364 1.154 1.00 0.00 C ATOM 0 HA PRO A 50 1.579 -8.757 -0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.067 -9.381 -0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.097 -10.439 -1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.753 -10.687 1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.742 -11.932 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.332 -11.621 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.582 -12.212 0.576 1.00 0.00 H new ATOM 526 N ILE A 51 1.069 -6.774 0.453 1.00 0.00 N ATOM 527 CA ILE A 51 0.779 -5.528 1.154 1.00 0.00 C ATOM 528 C ILE A 51 -0.338 -4.756 0.459 1.00 0.00 C ATOM 529 O ILE A 51 -0.407 -4.715 -0.768 1.00 0.00 O ATOM 530 CB ILE A 51 2.026 -4.628 1.234 1.00 0.00 C ATOM 531 CG1 ILE A 51 3.256 -5.448 1.645 1.00 0.00 C ATOM 532 CG2 ILE A 51 1.787 -3.471 2.196 1.00 0.00 C ATOM 533 CD1 ILE A 51 3.423 -5.612 3.142 1.00 0.00 C ATOM 0 H ILE A 51 1.569 -6.652 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 51 0.464 -5.798 2.162 1.00 0.00 H new ATOM 0 HB ILE A 51 2.218 -4.209 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.189 -6.435 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.149 -4.970 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.678 -2.845 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.943 -2.876 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.569 -3.863 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.315 -6.204 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.524 -4.631 3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.550 -6.119 3.552 1.00 0.00 H new ATOM 545 N TYR A 52 -1.207 -4.138 1.254 1.00 0.00 N ATOM 546 CA TYR A 52 -2.318 -3.359 0.713 1.00 0.00 C ATOM 547 C TYR A 52 -2.616 -2.158 1.604 1.00 0.00 C ATOM 548 O TYR A 52 -2.033 -2.012 2.677 1.00 0.00 O ATOM 549 CB TYR A 52 -3.580 -4.221 0.565 1.00 0.00 C ATOM 550 CG TYR A 52 -3.350 -5.705 0.760 1.00 0.00 C ATOM 551 CD1 TYR A 52 -3.130 -6.235 2.025 1.00 0.00 C ATOM 552 CD2 TYR A 52 -3.357 -6.576 -0.324 1.00 0.00 C ATOM 553 CE1 TYR A 52 -2.925 -7.588 2.206 1.00 0.00 C ATOM 554 CE2 TYR A 52 -3.152 -7.931 -0.150 1.00 0.00 C ATOM 555 CZ TYR A 52 -2.936 -8.432 1.116 1.00 0.00 C ATOM 556 OH TYR A 52 -2.734 -9.782 1.292 1.00 0.00 O ATOM 0 H TYR A 52 -1.164 -4.161 2.273 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.022 -3.006 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.323 -3.883 1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.002 -4.058 -0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.119 -5.577 2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.525 -6.187 -1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.757 -7.984 3.197 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.161 -8.595 -1.002 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.006 -10.262 0.482 1.00 0.00 H new ATOM 566 N VAL A 53 -3.530 -1.304 1.156 1.00 0.00 N ATOM 567 CA VAL A 53 -3.909 -0.120 1.918 1.00 0.00 C ATOM 568 C VAL A 53 -5.007 -0.451 2.922 1.00 0.00 C ATOM 569 O VAL A 53 -6.185 -0.520 2.570 1.00 0.00 O ATOM 570 CB VAL A 53 -4.390 1.014 0.993 1.00 0.00 C ATOM 571 CG1 VAL A 53 -4.664 2.280 1.795 1.00 0.00 C ATOM 572 CG2 VAL A 53 -3.367 1.280 -0.102 1.00 0.00 C ATOM 0 H VAL A 53 -4.022 -1.410 0.269 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.020 0.217 2.452 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.322 0.702 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.003 3.070 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.435 2.080 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.750 2.598 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.724 2.084 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.418 1.570 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.225 0.376 -0.695 1.00 0.00 H new ATOM 582 N LYS A 54 -4.610 -0.659 4.172 1.00 0.00 N ATOM 583 CA LYS A 54 -5.555 -0.992 5.233 1.00 0.00 C ATOM 584 C LYS A 54 -6.649 0.063 5.349 1.00 0.00 C ATOM 585 O LYS A 54 -7.779 -0.243 5.724 1.00 0.00 O ATOM 586 CB LYS A 54 -4.823 -1.126 6.569 1.00 0.00 C ATOM 587 CG LYS A 54 -5.658 -1.779 7.657 1.00 0.00 C ATOM 588 CD LYS A 54 -4.797 -2.241 8.822 1.00 0.00 C ATOM 589 CE LYS A 54 -5.222 -3.614 9.317 1.00 0.00 C ATOM 590 NZ LYS A 54 -4.676 -3.908 10.671 1.00 0.00 N ATOM 0 H LYS A 54 -3.638 -0.603 4.477 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.022 -1.944 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.915 -1.710 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.513 -0.136 6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.407 -1.073 8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.196 -2.631 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.752 -2.271 8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.868 -1.521 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.310 -3.670 9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.881 -4.375 8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.988 -4.853 10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.637 -3.880 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.021 -3.197 11.347 1.00 0.00 H new ATOM 604 N ASN A 55 -6.307 1.307 5.031 1.00 0.00 N ATOM 605 CA ASN A 55 -7.274 2.398 5.111 1.00 0.00 C ATOM 606 C ASN A 55 -6.690 3.714 4.607 1.00 0.00 C ATOM 607 O ASN A 55 -5.484 3.943 4.684 1.00 0.00 O ATOM 608 CB ASN A 55 -7.761 2.568 6.551 1.00 0.00 C ATOM 609 CG ASN A 55 -6.615 2.741 7.529 1.00 0.00 C ATOM 610 OD1 ASN A 55 -5.733 1.889 7.629 1.00 0.00 O ATOM 611 ND2 ASN A 55 -6.625 3.850 8.262 1.00 0.00 N ATOM 0 H ASN A 55 -5.377 1.584 4.718 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.114 2.136 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.420 3.434 6.610 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.352 1.698 6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.882 4.020 8.939 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.376 4.531 8.147 1.00 0.00 H new ATOM 618 N ILE A 56 -7.568 4.577 4.103 1.00 0.00 N ATOM 619 CA ILE A 56 -7.163 5.881 3.594 1.00 0.00 C ATOM 620 C ILE A 56 -7.557 6.982 4.574 1.00 0.00 C ATOM 621 O ILE A 56 -8.725 7.356 4.666 1.00 0.00 O ATOM 622 CB ILE A 56 -7.801 6.172 2.219 1.00 0.00 C ATOM 623 CG1 ILE A 56 -7.460 5.055 1.229 1.00 0.00 C ATOM 624 CG2 ILE A 56 -7.341 7.524 1.686 1.00 0.00 C ATOM 625 CD1 ILE A 56 -5.992 4.987 0.870 1.00 0.00 C ATOM 0 H ILE A 56 -8.569 4.394 4.037 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.079 5.864 3.479 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.884 6.208 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.765 4.099 1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.041 5.199 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.803 7.709 0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.634 8.309 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.256 7.522 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.827 4.172 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.685 5.928 0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.405 4.811 1.771 1.00 0.00 H new ATOM 637 N LEU A 57 -6.575 7.490 5.308 1.00 0.00 N ATOM 638 CA LEU A 57 -6.818 8.541 6.289 1.00 0.00 C ATOM 639 C LEU A 57 -7.359 9.805 5.626 1.00 0.00 C ATOM 640 O LEU A 57 -7.085 10.066 4.455 1.00 0.00 O ATOM 641 CB LEU A 57 -5.533 8.850 7.055 1.00 0.00 C ATOM 642 CG LEU A 57 -4.769 7.616 7.539 1.00 0.00 C ATOM 643 CD1 LEU A 57 -3.568 8.022 8.376 1.00 0.00 C ATOM 644 CD2 LEU A 57 -5.689 6.697 8.329 1.00 0.00 C ATOM 0 H LEU A 57 -5.602 7.191 5.243 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.573 8.183 6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.877 9.440 6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.779 9.470 7.917 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.406 7.072 6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.039 7.130 8.710 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.898 8.638 7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.904 8.590 9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.130 5.824 8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.082 7.232 9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.515 6.376 7.694 1.00 0.00 H new ATOM 656 N PRO A 58 -8.149 10.603 6.369 1.00 0.00 N ATOM 657 CA PRO A 58 -8.746 11.837 5.854 1.00 0.00 C ATOM 658 C PRO A 58 -7.814 13.044 5.942 1.00 0.00 C ATOM 659 O PRO A 58 -8.271 14.178 6.074 1.00 0.00 O ATOM 660 CB PRO A 58 -9.945 12.029 6.777 1.00 0.00 C ATOM 661 CG PRO A 58 -9.493 11.481 8.087 1.00 0.00 C ATOM 662 CD PRO A 58 -8.537 10.354 7.772 1.00 0.00 C ATOM 0 HA PRO A 58 -8.988 11.760 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.219 13.081 6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.822 11.499 6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.002 12.252 8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.340 11.120 8.670 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.672 10.367 8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.014 9.381 7.889 1.00 0.00 H new ATOM 670 N ARG A 59 -6.509 12.799 5.865 1.00 0.00 N ATOM 671 CA ARG A 59 -5.532 13.878 5.934 1.00 0.00 C ATOM 672 C ARG A 59 -4.219 13.470 5.275 1.00 0.00 C ATOM 673 O ARG A 59 -3.268 13.077 5.952 1.00 0.00 O ATOM 674 CB ARG A 59 -5.283 14.275 7.390 1.00 0.00 C ATOM 675 CG ARG A 59 -6.545 14.680 8.131 1.00 0.00 C ATOM 676 CD ARG A 59 -6.227 15.251 9.502 1.00 0.00 C ATOM 677 NE ARG A 59 -7.375 15.179 10.402 1.00 0.00 N ATOM 678 CZ ARG A 59 -7.285 15.229 11.728 1.00 0.00 C ATOM 679 NH1 ARG A 59 -6.101 15.356 12.316 1.00 0.00 N ATOM 680 NH2 ARG A 59 -8.381 15.153 12.470 1.00 0.00 N ATOM 0 H ARG A 59 -6.107 11.868 5.755 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.936 14.734 5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.817 13.439 7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.574 15.102 7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.090 15.420 7.545 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.198 13.814 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.390 14.705 9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.911 16.289 9.399 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.303 15.085 9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.254 15.416 11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.038 15.394 13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.293 15.056 12.024 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.312 15.191 13.487 1.00 0.00 H new ATOM 694 N GLY A 60 -4.173 13.565 3.951 1.00 0.00 N ATOM 695 CA GLY A 60 -2.969 13.202 3.226 1.00 0.00 C ATOM 696 C GLY A 60 -3.091 13.439 1.734 1.00 0.00 C ATOM 697 O GLY A 60 -4.193 13.597 1.210 1.00 0.00 O ATOM 0 H GLY A 60 -4.946 13.886 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.129 13.778 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.745 12.151 3.406 1.00 0.00 H new ATOM 701 N ALA A 61 -1.952 13.469 1.055 1.00 0.00 N ATOM 702 CA ALA A 61 -1.916 13.697 -0.386 1.00 0.00 C ATOM 703 C ALA A 61 -2.790 12.705 -1.149 1.00 0.00 C ATOM 704 O ALA A 61 -3.366 13.044 -2.183 1.00 0.00 O ATOM 705 CB ALA A 61 -0.481 13.628 -0.889 1.00 0.00 C ATOM 0 H ALA A 61 -1.035 13.338 1.481 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.320 14.693 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.464 13.799 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.116 14.391 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.066 12.644 -0.672 1.00 0.00 H new ATOM 711 N ALA A 62 -2.878 11.477 -0.648 1.00 0.00 N ATOM 712 CA ALA A 62 -3.674 10.446 -1.305 1.00 0.00 C ATOM 713 C ALA A 62 -5.140 10.846 -1.416 1.00 0.00 C ATOM 714 O ALA A 62 -5.704 10.856 -2.510 1.00 0.00 O ATOM 715 CB ALA A 62 -3.540 9.117 -0.575 1.00 0.00 C ATOM 0 H ALA A 62 -2.411 11.172 0.206 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.286 10.332 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.141 8.362 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.495 8.807 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.888 9.229 0.452 1.00 0.00 H new ATOM 721 N ILE A 63 -5.761 11.168 -0.287 1.00 0.00 N ATOM 722 CA ILE A 63 -7.162 11.556 -0.285 1.00 0.00 C ATOM 723 C ILE A 63 -7.380 12.849 -1.069 1.00 0.00 C ATOM 724 O ILE A 63 -8.418 13.032 -1.705 1.00 0.00 O ATOM 725 CB ILE A 63 -7.705 11.694 1.152 1.00 0.00 C ATOM 726 CG1 ILE A 63 -9.126 11.144 1.206 1.00 0.00 C ATOM 727 CG2 ILE A 63 -7.660 13.140 1.640 1.00 0.00 C ATOM 728 CD1 ILE A 63 -9.631 10.923 2.609 1.00 0.00 C ATOM 0 H ILE A 63 -5.318 11.168 0.632 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.719 10.761 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.066 11.117 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.794 11.835 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.163 10.200 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.051 13.193 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.630 13.496 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.267 13.764 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.647 10.531 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.985 10.209 3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.626 11.869 3.151 1.00 0.00 H new ATOM 740 N GLN A 64 -6.391 13.738 -1.032 1.00 0.00 N ATOM 741 CA GLN A 64 -6.481 15.002 -1.757 1.00 0.00 C ATOM 742 C GLN A 64 -6.374 14.752 -3.253 1.00 0.00 C ATOM 743 O GLN A 64 -7.082 15.366 -4.052 1.00 0.00 O ATOM 744 CB GLN A 64 -5.379 15.967 -1.313 1.00 0.00 C ATOM 745 CG GLN A 64 -5.074 15.912 0.174 1.00 0.00 C ATOM 746 CD GLN A 64 -5.308 17.239 0.870 1.00 0.00 C ATOM 747 OE1 GLN A 64 -6.055 17.318 1.846 1.00 0.00 O ATOM 748 NE2 GLN A 64 -4.669 18.290 0.370 1.00 0.00 N ATOM 0 H GLN A 64 -5.524 13.608 -0.511 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.447 15.455 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.468 15.744 -1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.672 16.983 -1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.696 15.148 0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.037 15.610 0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.060 18.178 -0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.787 19.209 0.796 1.00 0.00 H new ATOM 757 N ASP A 65 -5.483 13.840 -3.621 1.00 0.00 N ATOM 758 CA ASP A 65 -5.276 13.493 -5.020 1.00 0.00 C ATOM 759 C ASP A 65 -6.466 12.710 -5.562 1.00 0.00 C ATOM 760 O ASP A 65 -6.822 12.832 -6.734 1.00 0.00 O ATOM 761 CB ASP A 65 -3.994 12.673 -5.181 1.00 0.00 C ATOM 762 CG ASP A 65 -3.391 12.808 -6.565 1.00 0.00 C ATOM 763 OD1 ASP A 65 -3.682 13.812 -7.245 1.00 0.00 O ATOM 764 OD2 ASP A 65 -2.625 11.907 -6.969 1.00 0.00 O ATOM 0 H ASP A 65 -4.891 13.327 -2.968 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.179 14.417 -5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.265 12.994 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.210 11.623 -4.983 1.00 0.00 H new ATOM 769 N GLY A 66 -7.076 11.902 -4.700 1.00 0.00 N ATOM 770 CA GLY A 66 -8.218 11.106 -5.109 1.00 0.00 C ATOM 771 C GLY A 66 -7.860 10.112 -6.193 1.00 0.00 C ATOM 772 O GLY A 66 -8.610 9.930 -7.152 1.00 0.00 O ATOM 0 H GLY A 66 -6.799 11.785 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.616 10.573 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.009 11.765 -5.468 1.00 0.00 H new ATOM 776 N ARG A 67 -6.709 9.467 -6.040 1.00 0.00 N ATOM 777 CA ARG A 67 -6.246 8.487 -7.014 1.00 0.00 C ATOM 778 C ARG A 67 -6.159 7.097 -6.396 1.00 0.00 C ATOM 779 O ARG A 67 -6.662 6.123 -6.958 1.00 0.00 O ATOM 780 CB ARG A 67 -4.882 8.898 -7.571 1.00 0.00 C ATOM 781 CG ARG A 67 -4.926 10.163 -8.412 1.00 0.00 C ATOM 782 CD ARG A 67 -4.026 10.054 -9.634 1.00 0.00 C ATOM 783 NE ARG A 67 -4.667 10.585 -10.834 1.00 0.00 N ATOM 784 CZ ARG A 67 -4.006 10.916 -11.942 1.00 0.00 C ATOM 785 NH1 ARG A 67 -2.687 10.771 -12.005 1.00 0.00 N ATOM 786 NH2 ARG A 67 -4.664 11.391 -12.990 1.00 0.00 N ATOM 0 H ARG A 67 -6.079 9.606 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.970 8.454 -7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.190 9.046 -6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.485 8.083 -8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.951 10.354 -8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.616 11.015 -7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.097 10.594 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.760 9.009 -9.797 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.679 10.710 -10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.175 10.405 -11.202 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.186 11.026 -12.856 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.677 11.503 -12.948 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.157 11.644 -13.838 1.00 0.00 H new ATOM 800 N LEU A 68 -5.516 7.007 -5.237 1.00 0.00 N ATOM 801 CA LEU A 68 -5.363 5.735 -4.549 1.00 0.00 C ATOM 802 C LEU A 68 -6.294 5.657 -3.339 1.00 0.00 C ATOM 803 O LEU A 68 -6.208 6.472 -2.420 1.00 0.00 O ATOM 804 CB LEU A 68 -3.894 5.538 -4.136 1.00 0.00 C ATOM 805 CG LEU A 68 -3.651 5.139 -2.678 1.00 0.00 C ATOM 806 CD1 LEU A 68 -4.215 3.754 -2.400 1.00 0.00 C ATOM 807 CD2 LEU A 68 -2.165 5.184 -2.358 1.00 0.00 C ATOM 0 H LEU A 68 -5.093 7.801 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.642 4.930 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.457 4.773 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.355 6.465 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.166 5.853 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.032 3.489 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.288 3.753 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.730 3.026 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.008 4.898 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.631 4.492 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.789 6.195 -2.517 1.00 0.00 H new ATOM 819 N LYS A 69 -7.185 4.672 -3.354 1.00 0.00 N ATOM 820 CA LYS A 69 -8.136 4.482 -2.267 1.00 0.00 C ATOM 821 C LYS A 69 -7.749 3.285 -1.404 1.00 0.00 C ATOM 822 O LYS A 69 -6.659 2.730 -1.547 1.00 0.00 O ATOM 823 CB LYS A 69 -9.540 4.286 -2.835 1.00 0.00 C ATOM 824 CG LYS A 69 -10.355 5.561 -2.864 1.00 0.00 C ATOM 825 CD LYS A 69 -11.578 5.405 -3.745 1.00 0.00 C ATOM 826 CE LYS A 69 -12.536 6.573 -3.586 1.00 0.00 C ATOM 827 NZ LYS A 69 -13.592 6.292 -2.573 1.00 0.00 N ATOM 0 H LYS A 69 -7.268 3.992 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.121 5.372 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.463 3.888 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.065 3.540 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.663 5.823 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.740 6.382 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.268 5.327 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.091 4.476 -3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.978 7.462 -3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.003 6.793 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.225 7.113 -2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.141 5.459 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.148 6.108 -1.651 1.00 0.00 H new ATOM 841 N ALA A 70 -8.650 2.892 -0.510 1.00 0.00 N ATOM 842 CA ALA A 70 -8.403 1.760 0.376 1.00 0.00 C ATOM 843 C ALA A 70 -8.578 0.438 -0.364 1.00 0.00 C ATOM 844 O ALA A 70 -9.014 0.412 -1.515 1.00 0.00 O ATOM 845 CB ALA A 70 -9.329 1.820 1.580 1.00 0.00 C ATOM 0 H ALA A 70 -9.557 3.340 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.371 1.819 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.133 0.969 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.153 2.745 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.365 1.789 1.244 1.00 0.00 H new ATOM 851 N GLY A 71 -8.235 -0.660 0.304 1.00 0.00 N ATOM 852 CA GLY A 71 -8.361 -1.969 -0.308 1.00 0.00 C ATOM 853 C GLY A 71 -7.516 -2.107 -1.559 1.00 0.00 C ATOM 854 O GLY A 71 -7.833 -2.898 -2.447 1.00 0.00 O ATOM 0 H GLY A 71 -7.872 -0.665 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.067 -2.733 0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.406 -2.151 -0.557 1.00 0.00 H new ATOM 858 N ASP A 72 -6.439 -1.332 -1.630 1.00 0.00 N ATOM 859 CA ASP A 72 -5.545 -1.367 -2.779 1.00 0.00 C ATOM 860 C ASP A 72 -4.290 -2.178 -2.468 1.00 0.00 C ATOM 861 O ASP A 72 -3.727 -2.072 -1.380 1.00 0.00 O ATOM 862 CB ASP A 72 -5.160 0.058 -3.192 1.00 0.00 C ATOM 863 CG ASP A 72 -5.943 0.548 -4.395 1.00 0.00 C ATOM 864 OD1 ASP A 72 -6.835 -0.189 -4.866 1.00 0.00 O ATOM 865 OD2 ASP A 72 -5.665 1.672 -4.865 1.00 0.00 O ATOM 0 H ASP A 72 -6.165 -0.671 -0.903 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.069 -1.849 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.329 0.734 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.094 0.091 -3.419 1.00 0.00 H new ATOM 870 N ARG A 73 -3.857 -2.987 -3.430 1.00 0.00 N ATOM 871 CA ARG A 73 -2.670 -3.815 -3.255 1.00 0.00 C ATOM 872 C ARG A 73 -1.437 -3.134 -3.840 1.00 0.00 C ATOM 873 O ARG A 73 -1.325 -2.971 -5.055 1.00 0.00 O ATOM 874 CB ARG A 73 -2.874 -5.181 -3.913 1.00 0.00 C ATOM 875 CG ARG A 73 -2.003 -6.278 -3.323 1.00 0.00 C ATOM 876 CD ARG A 73 -0.736 -6.491 -4.139 1.00 0.00 C ATOM 877 NE ARG A 73 -0.602 -7.874 -4.593 1.00 0.00 N ATOM 878 CZ ARG A 73 0.452 -8.335 -5.262 1.00 0.00 C ATOM 879 NH1 ARG A 73 1.467 -7.531 -5.553 1.00 0.00 N ATOM 880 NH2 ARG A 73 0.494 -9.606 -5.637 1.00 0.00 N ATOM 0 H ARG A 73 -4.311 -3.086 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.511 -3.954 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.921 -5.469 -3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.664 -5.096 -4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.737 -6.019 -2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.569 -7.209 -3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.745 -5.826 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.132 -6.221 -3.537 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.360 -8.523 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.442 -6.553 -5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.272 -7.891 -6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.281 -10.230 -5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.302 -9.960 -6.150 1.00 0.00 H new ATOM 894 N LEU A 74 -0.513 -2.743 -2.967 1.00 0.00 N ATOM 895 CA LEU A 74 0.718 -2.084 -3.392 1.00 0.00 C ATOM 896 C LEU A 74 1.633 -3.065 -4.115 1.00 0.00 C ATOM 897 O LEU A 74 2.176 -3.990 -3.509 1.00 0.00 O ATOM 898 CB LEU A 74 1.436 -1.478 -2.185 1.00 0.00 C ATOM 899 CG LEU A 74 1.246 0.031 -2.010 1.00 0.00 C ATOM 900 CD1 LEU A 74 0.977 0.372 -0.552 1.00 0.00 C ATOM 901 CD2 LEU A 74 2.466 0.785 -2.521 1.00 0.00 C ATOM 0 H LEU A 74 -0.594 -2.872 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 74 0.459 -1.284 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.086 -1.980 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.502 -1.687 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 74 0.381 0.339 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.845 1.449 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.073 -0.138 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.820 0.050 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.313 1.856 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.348 0.472 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.612 0.567 -3.579 1.00 0.00 H new ATOM 913 N ILE A 75 1.792 -2.856 -5.415 1.00 0.00 N ATOM 914 CA ILE A 75 2.632 -3.718 -6.232 1.00 0.00 C ATOM 915 C ILE A 75 4.004 -3.095 -6.472 1.00 0.00 C ATOM 916 O ILE A 75 4.992 -3.807 -6.659 1.00 0.00 O ATOM 917 CB ILE A 75 1.960 -4.010 -7.584 1.00 0.00 C ATOM 918 CG1 ILE A 75 0.554 -4.564 -7.344 1.00 0.00 C ATOM 919 CG2 ILE A 75 2.801 -4.985 -8.404 1.00 0.00 C ATOM 920 CD1 ILE A 75 0.000 -5.365 -8.502 1.00 0.00 C ATOM 0 H ILE A 75 1.348 -2.094 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 75 2.765 -4.652 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 75 1.881 -3.084 -8.154 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.570 -5.194 -6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.121 -3.734 -7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.308 -5.178 -9.357 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.785 -4.553 -8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.911 -5.921 -7.856 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.999 -5.722 -8.252 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.051 -4.734 -9.389 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.651 -6.217 -8.700 1.00 0.00 H new ATOM 932 N GLU A 76 4.065 -1.768 -6.472 1.00 0.00 N ATOM 933 CA GLU A 76 5.332 -1.076 -6.702 1.00 0.00 C ATOM 934 C GLU A 76 5.372 0.290 -6.013 1.00 0.00 C ATOM 935 O GLU A 76 4.339 0.839 -5.633 1.00 0.00 O ATOM 936 CB GLU A 76 5.577 -0.907 -8.203 1.00 0.00 C ATOM 937 CG GLU A 76 6.612 -1.870 -8.761 1.00 0.00 C ATOM 938 CD GLU A 76 6.422 -2.137 -10.242 1.00 0.00 C ATOM 939 OE1 GLU A 76 5.390 -2.738 -10.609 1.00 0.00 O ATOM 940 OE2 GLU A 76 7.306 -1.747 -11.034 1.00 0.00 O ATOM 0 H GLU A 76 3.265 -1.155 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 76 6.121 -1.690 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.636 -1.049 -8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.902 0.115 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.609 -1.463 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.557 -2.812 -8.216 1.00 0.00 H new ATOM 947 N VAL A 77 6.580 0.830 -5.872 1.00 0.00 N ATOM 948 CA VAL A 77 6.785 2.133 -5.246 1.00 0.00 C ATOM 949 C VAL A 77 7.927 2.874 -5.932 1.00 0.00 C ATOM 950 O VAL A 77 9.091 2.494 -5.798 1.00 0.00 O ATOM 951 CB VAL A 77 7.100 1.997 -3.740 1.00 0.00 C ATOM 952 CG1 VAL A 77 7.381 3.358 -3.118 1.00 0.00 C ATOM 953 CG2 VAL A 77 5.957 1.303 -3.016 1.00 0.00 C ATOM 0 H VAL A 77 7.439 0.380 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 77 5.859 2.697 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 77 7.996 1.386 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.600 3.235 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.237 3.815 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.508 3.999 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.197 1.216 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.044 1.886 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.810 0.309 -3.437 1.00 0.00 H new ATOM 963 N ASN A 78 7.594 3.924 -6.675 1.00 0.00 N ATOM 964 CA ASN A 78 8.602 4.702 -7.387 1.00 0.00 C ATOM 965 C ASN A 78 9.396 3.808 -8.336 1.00 0.00 C ATOM 966 O ASN A 78 10.571 4.054 -8.601 1.00 0.00 O ATOM 967 CB ASN A 78 9.551 5.381 -6.397 1.00 0.00 C ATOM 968 CG ASN A 78 9.068 6.757 -5.981 1.00 0.00 C ATOM 969 OD1 ASN A 78 8.996 7.068 -4.793 1.00 0.00 O ATOM 970 ND2 ASN A 78 8.738 7.591 -6.960 1.00 0.00 N ATOM 0 H ASN A 78 6.637 4.255 -6.800 1.00 0.00 H new ATOM 0 HA ASN A 78 8.092 5.469 -7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.657 4.754 -5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.540 5.467 -6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.410 8.531 -6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.813 7.291 -7.932 1.00 0.00 H new ATOM 977 N GLY A 79 8.741 2.764 -8.836 1.00 0.00 N ATOM 978 CA GLY A 79 9.396 1.840 -9.742 1.00 0.00 C ATOM 979 C GLY A 79 10.133 0.736 -9.007 1.00 0.00 C ATOM 980 O GLY A 79 11.064 0.136 -9.547 1.00 0.00 O ATOM 0 H GLY A 79 7.767 2.542 -8.629 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.653 1.398 -10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.099 2.387 -10.370 1.00 0.00 H new ATOM 984 N VAL A 80 9.719 0.470 -7.772 1.00 0.00 N ATOM 985 CA VAL A 80 10.346 -0.563 -6.958 1.00 0.00 C ATOM 986 C VAL A 80 9.429 -1.775 -6.803 1.00 0.00 C ATOM 987 O VAL A 80 8.255 -1.635 -6.465 1.00 0.00 O ATOM 988 CB VAL A 80 10.734 -0.012 -5.563 1.00 0.00 C ATOM 989 CG1 VAL A 80 9.685 -0.346 -4.509 1.00 0.00 C ATOM 990 CG2 VAL A 80 12.101 -0.534 -5.146 1.00 0.00 C ATOM 0 H VAL A 80 8.950 0.958 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 80 11.253 -0.878 -7.473 1.00 0.00 H new ATOM 0 HB VAL A 80 10.782 1.074 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.996 0.058 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.729 0.092 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.579 -1.428 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.358 -0.137 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.077 -1.623 -5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.849 -0.216 -5.873 1.00 0.00 H new ATOM 1000 N ASP A 81 9.971 -2.964 -7.045 1.00 0.00 N ATOM 1001 CA ASP A 81 9.197 -4.194 -6.921 1.00 0.00 C ATOM 1002 C ASP A 81 9.003 -4.562 -5.453 1.00 0.00 C ATOM 1003 O ASP A 81 9.872 -5.177 -4.838 1.00 0.00 O ATOM 1004 CB ASP A 81 9.893 -5.339 -7.658 1.00 0.00 C ATOM 1005 CG ASP A 81 10.007 -5.086 -9.147 1.00 0.00 C ATOM 1006 OD1 ASP A 81 9.003 -5.286 -9.862 1.00 0.00 O ATOM 1007 OD2 ASP A 81 11.101 -4.686 -9.600 1.00 0.00 O ATOM 0 H ASP A 81 10.941 -3.102 -7.328 1.00 0.00 H new ATOM 0 HA ASP A 81 8.219 -4.027 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.889 -5.483 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.340 -6.263 -7.491 1.00 0.00 H new ATOM 1012 N LEU A 82 7.857 -4.174 -4.899 1.00 0.00 N ATOM 1013 CA LEU A 82 7.548 -4.457 -3.500 1.00 0.00 C ATOM 1014 C LEU A 82 7.461 -5.958 -3.249 1.00 0.00 C ATOM 1015 O LEU A 82 7.796 -6.434 -2.163 1.00 0.00 O ATOM 1016 CB LEU A 82 6.234 -3.786 -3.102 1.00 0.00 C ATOM 1017 CG LEU A 82 6.125 -2.306 -3.470 1.00 0.00 C ATOM 1018 CD1 LEU A 82 4.679 -1.843 -3.390 1.00 0.00 C ATOM 1019 CD2 LEU A 82 7.011 -1.463 -2.564 1.00 0.00 C ATOM 0 H LEU A 82 7.128 -3.663 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 82 8.356 -4.054 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.412 -4.324 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.104 -3.887 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 82 6.469 -2.179 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.620 -0.787 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.072 -2.426 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.308 -1.984 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.920 -0.413 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.700 -1.593 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.049 -1.779 -2.674 1.00 0.00 H new ATOM 1031 N ALA A 83 7.010 -6.697 -4.253 1.00 0.00 N ATOM 1032 CA ALA A 83 6.880 -8.144 -4.136 1.00 0.00 C ATOM 1033 C ALA A 83 8.247 -8.809 -4.016 1.00 0.00 C ATOM 1034 O ALA A 83 8.782 -9.329 -4.994 1.00 0.00 O ATOM 1035 CB ALA A 83 6.120 -8.702 -5.330 1.00 0.00 C ATOM 0 H ALA A 83 6.728 -6.319 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 83 6.319 -8.363 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.030 -9.784 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.126 -8.257 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.659 -8.466 -6.247 1.00 0.00 H new ATOM 1041 N GLY A 84 8.807 -8.789 -2.809 1.00 0.00 N ATOM 1042 CA GLY A 84 10.107 -9.397 -2.591 1.00 0.00 C ATOM 1043 C GLY A 84 10.770 -8.929 -1.307 1.00 0.00 C ATOM 1044 O GLY A 84 11.599 -9.641 -0.739 1.00 0.00 O ATOM 0 H GLY A 84 8.386 -8.365 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.995 -10.481 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.757 -9.166 -3.435 1.00 0.00 H new ATOM 1048 N LYS A 85 10.411 -7.734 -0.848 1.00 0.00 N ATOM 1049 CA LYS A 85 10.991 -7.186 0.376 1.00 0.00 C ATOM 1050 C LYS A 85 10.165 -7.574 1.605 1.00 0.00 C ATOM 1051 O LYS A 85 10.319 -8.673 2.138 1.00 0.00 O ATOM 1052 CB LYS A 85 11.144 -5.660 0.282 1.00 0.00 C ATOM 1053 CG LYS A 85 10.101 -4.978 -0.590 1.00 0.00 C ATOM 1054 CD LYS A 85 10.538 -4.940 -2.047 1.00 0.00 C ATOM 1055 CE LYS A 85 10.747 -3.513 -2.532 1.00 0.00 C ATOM 1056 NZ LYS A 85 12.190 -3.152 -2.585 1.00 0.00 N ATOM 0 H LYS A 85 9.726 -7.129 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 85 11.985 -7.619 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.092 -5.239 1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.135 -5.430 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.152 -5.507 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.932 -3.962 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.463 -5.504 -2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.786 -5.429 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.307 -3.398 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.224 -2.824 -1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.291 -2.173 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.604 -3.237 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.685 -3.794 -3.237 1.00 0.00 H new ATOM 1070 N SER A 86 9.290 -6.675 2.055 1.00 0.00 N ATOM 1071 CA SER A 86 8.453 -6.939 3.221 1.00 0.00 C ATOM 1072 C SER A 86 7.587 -5.728 3.545 1.00 0.00 C ATOM 1073 O SER A 86 7.677 -4.696 2.884 1.00 0.00 O ATOM 1074 CB SER A 86 9.320 -7.298 4.432 1.00 0.00 C ATOM 1075 OG SER A 86 8.754 -8.373 5.163 1.00 0.00 O ATOM 0 H SER A 86 9.144 -5.760 1.629 1.00 0.00 H new ATOM 0 HA SER A 86 7.803 -7.783 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.322 -7.568 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.423 -6.428 5.080 1.00 0.00 H new ATOM 0 HG SER A 86 9.326 -8.584 5.930 1.00 0.00 H new ATOM 1081 N GLN A 87 6.753 -5.853 4.571 1.00 0.00 N ATOM 1082 CA GLN A 87 5.883 -4.757 4.975 1.00 0.00 C ATOM 1083 C GLN A 87 6.708 -3.627 5.560 1.00 0.00 C ATOM 1084 O GLN A 87 6.630 -2.488 5.106 1.00 0.00 O ATOM 1085 CB GLN A 87 4.843 -5.235 5.995 1.00 0.00 C ATOM 1086 CG GLN A 87 4.003 -4.106 6.577 1.00 0.00 C ATOM 1087 CD GLN A 87 2.826 -4.610 7.388 1.00 0.00 C ATOM 1088 OE1 GLN A 87 2.966 -5.515 8.211 1.00 0.00 O ATOM 1089 NE2 GLN A 87 1.656 -4.025 7.159 1.00 0.00 N ATOM 0 H GLN A 87 6.662 -6.698 5.135 1.00 0.00 H new ATOM 0 HA GLN A 87 5.355 -4.393 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.183 -5.960 5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.353 -5.754 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.632 -3.479 7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.637 -3.476 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.586 -3.278 6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.828 -4.322 7.675 1.00 0.00 H new ATOM 1098 N GLU A 88 7.513 -3.954 6.559 1.00 0.00 N ATOM 1099 CA GLU A 88 8.368 -2.965 7.191 1.00 0.00 C ATOM 1100 C GLU A 88 9.383 -2.442 6.187 1.00 0.00 C ATOM 1101 O GLU A 88 9.806 -1.287 6.256 1.00 0.00 O ATOM 1102 CB GLU A 88 9.080 -3.566 8.408 1.00 0.00 C ATOM 1103 CG GLU A 88 8.891 -2.758 9.682 1.00 0.00 C ATOM 1104 CD GLU A 88 8.375 -3.598 10.835 1.00 0.00 C ATOM 1105 OE1 GLU A 88 9.200 -4.243 11.515 1.00 0.00 O ATOM 1106 OE2 GLU A 88 7.146 -3.611 11.057 1.00 0.00 O ATOM 0 H GLU A 88 7.591 -4.894 6.948 1.00 0.00 H new ATOM 0 HA GLU A 88 7.750 -2.135 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.711 -4.579 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.146 -3.646 8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.841 -2.305 9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.193 -1.943 9.491 1.00 0.00 H new ATOM 1113 N GLU A 89 9.758 -3.297 5.239 1.00 0.00 N ATOM 1114 CA GLU A 89 10.711 -2.909 4.207 1.00 0.00 C ATOM 1115 C GLU A 89 10.044 -1.962 3.218 1.00 0.00 C ATOM 1116 O GLU A 89 10.571 -0.891 2.909 1.00 0.00 O ATOM 1117 CB GLU A 89 11.246 -4.142 3.477 1.00 0.00 C ATOM 1118 CG GLU A 89 12.176 -4.994 4.325 1.00 0.00 C ATOM 1119 CD GLU A 89 13.106 -5.851 3.488 1.00 0.00 C ATOM 1120 OE1 GLU A 89 13.602 -5.354 2.455 1.00 0.00 O ATOM 1121 OE2 GLU A 89 13.338 -7.019 3.865 1.00 0.00 O ATOM 0 H GLU A 89 9.419 -4.256 5.165 1.00 0.00 H new ATOM 0 HA GLU A 89 11.550 -2.399 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.405 -4.753 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.777 -3.822 2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.768 -4.346 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.582 -5.637 4.975 1.00 0.00 H new ATOM 1128 N VAL A 90 8.872 -2.361 2.745 1.00 0.00 N ATOM 1129 CA VAL A 90 8.109 -1.552 1.806 1.00 0.00 C ATOM 1130 C VAL A 90 7.727 -0.219 2.443 1.00 0.00 C ATOM 1131 O VAL A 90 7.871 0.844 1.831 1.00 0.00 O ATOM 1132 CB VAL A 90 6.841 -2.300 1.339 1.00 0.00 C ATOM 1133 CG1 VAL A 90 5.944 -1.392 0.511 1.00 0.00 C ATOM 1134 CG2 VAL A 90 7.225 -3.541 0.544 1.00 0.00 C ATOM 0 H VAL A 90 8.428 -3.244 2.997 1.00 0.00 H new ATOM 0 HA VAL A 90 8.736 -1.361 0.935 1.00 0.00 H new ATOM 0 HB VAL A 90 6.282 -2.608 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.059 -1.944 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.641 -0.534 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.488 -1.046 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.322 -4.060 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.808 -3.248 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.820 -4.205 1.171 1.00 0.00 H new ATOM 1144 N VAL A 91 7.266 -0.279 3.688 1.00 0.00 N ATOM 1145 CA VAL A 91 6.895 0.925 4.413 1.00 0.00 C ATOM 1146 C VAL A 91 8.119 1.812 4.586 1.00 0.00 C ATOM 1147 O VAL A 91 8.018 3.038 4.579 1.00 0.00 O ATOM 1148 CB VAL A 91 6.290 0.599 5.795 1.00 0.00 C ATOM 1149 CG1 VAL A 91 5.878 1.872 6.520 1.00 0.00 C ATOM 1150 CG2 VAL A 91 5.104 -0.342 5.650 1.00 0.00 C ATOM 0 H VAL A 91 7.142 -1.145 4.212 1.00 0.00 H new ATOM 0 HA VAL A 91 6.134 1.445 3.831 1.00 0.00 H new ATOM 0 HB VAL A 91 7.054 0.101 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.454 1.617 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.751 2.509 6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.133 2.403 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.691 -0.561 6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.340 0.129 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.431 -1.269 5.180 1.00 0.00 H new ATOM 1160 N SER A 92 9.281 1.175 4.721 1.00 0.00 N ATOM 1161 CA SER A 92 10.534 1.899 4.872 1.00 0.00 C ATOM 1162 C SER A 92 10.812 2.724 3.622 1.00 0.00 C ATOM 1163 O SER A 92 11.297 3.852 3.706 1.00 0.00 O ATOM 1164 CB SER A 92 11.687 0.925 5.129 1.00 0.00 C ATOM 1165 OG SER A 92 12.196 1.072 6.443 1.00 0.00 O ATOM 0 H SER A 92 9.377 0.160 4.728 1.00 0.00 H new ATOM 0 HA SER A 92 10.450 2.569 5.728 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.342 -0.098 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.483 1.100 4.406 1.00 0.00 H new ATOM 0 HG SER A 92 12.930 0.438 6.582 1.00 0.00 H new ATOM 1171 N LEU A 93 10.482 2.159 2.464 1.00 0.00 N ATOM 1172 CA LEU A 93 10.682 2.853 1.197 1.00 0.00 C ATOM 1173 C LEU A 93 9.875 4.141 1.183 1.00 0.00 C ATOM 1174 O LEU A 93 10.401 5.222 0.914 1.00 0.00 O ATOM 1175 CB LEU A 93 10.266 1.980 0.010 1.00 0.00 C ATOM 1176 CG LEU A 93 10.564 0.495 0.166 1.00 0.00 C ATOM 1177 CD1 LEU A 93 10.073 -0.279 -1.047 1.00 0.00 C ATOM 1178 CD2 LEU A 93 12.053 0.269 0.382 1.00 0.00 C ATOM 0 H LEU A 93 10.077 1.227 2.377 1.00 0.00 H new ATOM 0 HA LEU A 93 11.744 3.078 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.196 2.105 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.772 2.344 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 93 10.032 0.127 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.295 -1.338 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.997 -0.144 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.575 0.090 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.247 -0.798 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.607 0.653 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.373 0.790 1.284 1.00 0.00 H new ATOM 1190 N LEU A 94 8.588 4.015 1.492 1.00 0.00 N ATOM 1191 CA LEU A 94 7.699 5.176 1.533 1.00 0.00 C ATOM 1192 C LEU A 94 8.088 6.092 2.687 1.00 0.00 C ATOM 1193 O LEU A 94 7.973 7.313 2.596 1.00 0.00 O ATOM 1194 CB LEU A 94 6.222 4.765 1.671 1.00 0.00 C ATOM 1195 CG LEU A 94 5.942 3.263 1.720 1.00 0.00 C ATOM 1196 CD1 LEU A 94 4.513 3.006 2.167 1.00 0.00 C ATOM 1197 CD2 LEU A 94 6.197 2.628 0.358 1.00 0.00 C ATOM 0 H LEU A 94 8.138 3.128 1.717 1.00 0.00 H new ATOM 0 HA LEU A 94 7.810 5.707 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.824 5.218 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.668 5.190 0.834 1.00 0.00 H new ATOM 0 HG LEU A 94 6.618 2.808 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.329 1.932 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.361 3.428 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.823 3.473 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.993 1.559 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.544 3.086 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.237 2.785 0.072 1.00 0.00 H new ATOM 1209 N ARG A 95 8.555 5.488 3.773 1.00 0.00 N ATOM 1210 CA ARG A 95 8.973 6.242 4.949 1.00 0.00 C ATOM 1211 C ARG A 95 10.274 6.993 4.675 1.00 0.00 C ATOM 1212 O ARG A 95 10.520 8.059 5.242 1.00 0.00 O ATOM 1213 CB ARG A 95 9.156 5.307 6.147 1.00 0.00 C ATOM 1214 CG ARG A 95 7.956 5.270 7.079 1.00 0.00 C ATOM 1215 CD ARG A 95 8.376 5.010 8.518 1.00 0.00 C ATOM 1216 NE ARG A 95 7.856 6.026 9.432 1.00 0.00 N ATOM 1217 CZ ARG A 95 6.616 6.026 9.914 1.00 0.00 C ATOM 1218 NH1 ARG A 95 5.763 5.070 9.569 1.00 0.00 N ATOM 1219 NH2 ARG A 95 6.227 6.985 10.743 1.00 0.00 N ATOM 0 H ARG A 95 8.654 4.477 3.864 1.00 0.00 H new ATOM 0 HA ARG A 95 8.193 6.967 5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.354 4.299 5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.034 5.621 6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.419 6.217 7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.265 4.492 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.020 4.027 8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.464 4.989 8.580 1.00 0.00 H new ATOM 0 HE ARG A 95 8.481 6.780 9.717 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.057 4.330 8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.813 5.075 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.878 7.723 11.011 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.276 6.985 11.113 1.00 0.00 H new ATOM 1233 N SER A 96 11.107 6.424 3.809 1.00 0.00 N ATOM 1234 CA SER A 96 12.386 7.031 3.462 1.00 0.00 C ATOM 1235 C SER A 96 12.182 8.337 2.703 1.00 0.00 C ATOM 1236 O SER A 96 12.980 9.266 2.823 1.00 0.00 O ATOM 1237 CB SER A 96 13.220 6.064 2.619 1.00 0.00 C ATOM 1238 OG SER A 96 14.575 6.477 2.561 1.00 0.00 O ATOM 0 H SER A 96 10.918 5.541 3.334 1.00 0.00 H new ATOM 0 HA SER A 96 12.918 7.250 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.160 5.062 3.043 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.810 6.009 1.611 1.00 0.00 H new ATOM 0 HG SER A 96 15.088 5.842 2.018 1.00 0.00 H new ATOM 1244 N THR A 97 11.108 8.402 1.924 1.00 0.00 N ATOM 1245 CA THR A 97 10.799 9.597 1.146 1.00 0.00 C ATOM 1246 C THR A 97 10.759 10.831 2.040 1.00 0.00 C ATOM 1247 O THR A 97 10.212 10.794 3.142 1.00 0.00 O ATOM 1248 CB THR A 97 9.461 9.429 0.420 1.00 0.00 C ATOM 1249 OG1 THR A 97 8.983 8.102 0.544 1.00 0.00 O ATOM 1250 CG2 THR A 97 9.535 9.745 -1.055 1.00 0.00 C ATOM 0 H THR A 97 10.437 7.642 1.814 1.00 0.00 H new ATOM 0 HA THR A 97 11.588 9.734 0.406 1.00 0.00 H new ATOM 0 HB THR A 97 8.788 10.141 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.286 8.068 1.232 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.553 9.605 -1.507 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.853 10.779 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.253 9.079 -1.534 1.00 0.00 H new ATOM 1258 N LYS A 98 11.344 11.921 1.558 1.00 0.00 N ATOM 1259 CA LYS A 98 11.380 13.168 2.313 1.00 0.00 C ATOM 1260 C LYS A 98 10.356 14.158 1.770 1.00 0.00 C ATOM 1261 O LYS A 98 9.696 13.894 0.766 1.00 0.00 O ATOM 1262 CB LYS A 98 12.779 13.784 2.262 1.00 0.00 C ATOM 1263 CG LYS A 98 13.901 12.764 2.373 1.00 0.00 C ATOM 1264 CD LYS A 98 14.226 12.145 1.022 1.00 0.00 C ATOM 1265 CE LYS A 98 15.722 11.938 0.847 1.00 0.00 C ATOM 1266 NZ LYS A 98 16.262 10.945 1.818 1.00 0.00 N ATOM 0 H LYS A 98 11.800 11.967 0.647 1.00 0.00 H new ATOM 0 HA LYS A 98 11.131 12.943 3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.891 14.333 1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.877 14.508 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.792 13.244 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.614 11.980 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.712 11.189 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.852 12.789 0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.925 11.600 -0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.238 12.890 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.285 10.832 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.091 11.279 2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.788 10.030 1.678 1.00 0.00 H new ATOM 1280 N MET A 99 10.233 15.302 2.437 1.00 0.00 N ATOM 1281 CA MET A 99 9.291 16.332 2.017 1.00 0.00 C ATOM 1282 C MET A 99 9.532 16.723 0.561 1.00 0.00 C ATOM 1283 O MET A 99 10.664 16.687 0.080 1.00 0.00 O ATOM 1284 CB MET A 99 9.413 17.564 2.917 1.00 0.00 C ATOM 1285 CG MET A 99 9.321 17.246 4.401 1.00 0.00 C ATOM 1286 SD MET A 99 7.698 17.619 5.092 1.00 0.00 S ATOM 1287 CE MET A 99 7.052 15.969 5.351 1.00 0.00 C ATOM 0 H MET A 99 10.773 15.538 3.269 1.00 0.00 H new ATOM 0 HA MET A 99 8.283 15.928 2.105 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.365 18.056 2.718 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.627 18.273 2.657 1.00 0.00 H new ATOM 0 HG2 MET A 99 9.544 16.191 4.557 1.00 0.00 H new ATOM 0 HG3 MET A 99 10.080 17.815 4.938 1.00 0.00 H new ATOM 0 HE1 MET A 99 6.173 16.019 5.994 1.00 0.00 H new ATOM 0 HE2 MET A 99 6.775 15.532 4.392 1.00 0.00 H new ATOM 0 HE3 MET A 99 7.814 15.350 5.826 1.00 0.00 H new ATOM 1297 N GLU A 100 8.461 17.087 -0.136 1.00 0.00 N ATOM 1298 CA GLU A 100 8.562 17.476 -1.537 1.00 0.00 C ATOM 1299 C GLU A 100 9.117 16.326 -2.371 1.00 0.00 C ATOM 1300 O GLU A 100 10.319 16.257 -2.633 1.00 0.00 O ATOM 1301 CB GLU A 100 9.454 18.709 -1.686 1.00 0.00 C ATOM 1302 CG GLU A 100 9.025 19.876 -0.812 1.00 0.00 C ATOM 1303 CD GLU A 100 10.124 20.907 -0.634 1.00 0.00 C ATOM 1304 OE1 GLU A 100 11.053 20.651 0.162 1.00 0.00 O ATOM 1305 OE2 GLU A 100 10.055 21.967 -1.289 1.00 0.00 O ATOM 0 H GLU A 100 7.516 17.121 0.245 1.00 0.00 H new ATOM 0 HA GLU A 100 7.563 17.720 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.480 18.438 -1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.451 19.026 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.151 20.355 -1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.722 19.501 0.166 1.00 0.00 H new ATOM 1312 N GLY A 101 8.235 15.422 -2.779 1.00 0.00 N ATOM 1313 CA GLY A 101 8.647 14.283 -3.572 1.00 0.00 C ATOM 1314 C GLY A 101 7.475 13.407 -3.955 1.00 0.00 C ATOM 1315 O GLY A 101 6.956 12.653 -3.130 1.00 0.00 O ATOM 0 H GLY A 101 7.237 15.459 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.149 14.632 -4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.372 13.694 -3.011 1.00 0.00 H new ATOM 1319 N THR A 102 7.051 13.511 -5.206 1.00 0.00 N ATOM 1320 CA THR A 102 5.926 12.729 -5.700 1.00 0.00 C ATOM 1321 C THR A 102 6.295 11.256 -5.832 1.00 0.00 C ATOM 1322 O THR A 102 7.075 10.874 -6.705 1.00 0.00 O ATOM 1323 CB THR A 102 5.456 13.271 -7.051 1.00 0.00 C ATOM 1324 OG1 THR A 102 5.244 14.671 -6.983 1.00 0.00 O ATOM 1325 CG2 THR A 102 4.171 12.637 -7.536 1.00 0.00 C ATOM 0 H THR A 102 7.470 14.131 -5.899 1.00 0.00 H new ATOM 0 HA THR A 102 5.115 12.815 -4.977 1.00 0.00 H new ATOM 0 HB THR A 102 6.252 13.025 -7.754 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.946 14.999 -7.857 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.894 13.066 -8.499 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.314 11.562 -7.646 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.377 12.825 -6.813 1.00 0.00 H new ATOM 1333 N VAL A 103 5.725 10.433 -4.957 1.00 0.00 N ATOM 1334 CA VAL A 103 5.985 8.998 -4.967 1.00 0.00 C ATOM 1335 C VAL A 103 4.916 8.262 -5.768 1.00 0.00 C ATOM 1336 O VAL A 103 3.740 8.265 -5.403 1.00 0.00 O ATOM 1337 CB VAL A 103 6.034 8.430 -3.530 1.00 0.00 C ATOM 1338 CG1 VAL A 103 6.098 6.908 -3.540 1.00 0.00 C ATOM 1339 CG2 VAL A 103 7.215 9.011 -2.770 1.00 0.00 C ATOM 0 H VAL A 103 5.078 10.737 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 103 6.956 8.845 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 103 5.115 8.721 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.131 6.539 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.215 6.510 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.993 6.585 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.235 8.601 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.141 8.754 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.117 10.095 -2.719 1.00 0.00 H new ATOM 1349 N SER A 104 5.331 7.627 -6.859 1.00 0.00 N ATOM 1350 CA SER A 104 4.408 6.885 -7.707 1.00 0.00 C ATOM 1351 C SER A 104 4.210 5.474 -7.169 1.00 0.00 C ATOM 1352 O SER A 104 5.034 4.590 -7.399 1.00 0.00 O ATOM 1353 CB SER A 104 4.927 6.829 -9.145 1.00 0.00 C ATOM 1354 OG SER A 104 4.414 7.902 -9.915 1.00 0.00 O ATOM 0 H SER A 104 6.300 7.612 -7.176 1.00 0.00 H new ATOM 0 HA SER A 104 3.448 7.402 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.016 6.867 -9.143 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.642 5.881 -9.601 1.00 0.00 H new ATOM 0 HG SER A 104 4.762 7.844 -10.829 1.00 0.00 H new ATOM 1360 N LEU A 105 3.117 5.271 -6.443 1.00 0.00 N ATOM 1361 CA LEU A 105 2.819 3.969 -5.863 1.00 0.00 C ATOM 1362 C LEU A 105 1.878 3.169 -6.755 1.00 0.00 C ATOM 1363 O LEU A 105 0.768 3.608 -7.058 1.00 0.00 O ATOM 1364 CB LEU A 105 2.197 4.133 -4.475 1.00 0.00 C ATOM 1365 CG LEU A 105 2.837 5.213 -3.601 1.00 0.00 C ATOM 1366 CD1 LEU A 105 1.779 5.921 -2.768 1.00 0.00 C ATOM 1367 CD2 LEU A 105 3.907 4.608 -2.704 1.00 0.00 C ATOM 0 H LEU A 105 2.423 5.991 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 105 3.758 3.423 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.138 4.363 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.259 3.179 -3.951 1.00 0.00 H new ATOM 0 HG LEU A 105 3.310 5.948 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.252 6.686 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.048 6.388 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.277 5.197 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.352 5.391 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.457 3.852 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.680 4.147 -3.319 1.00 0.00 H new ATOM 1379 N LEU A 106 2.326 1.987 -7.160 1.00 0.00 N ATOM 1380 CA LEU A 106 1.520 1.115 -8.002 1.00 0.00 C ATOM 1381 C LEU A 106 0.571 0.295 -7.139 1.00 0.00 C ATOM 1382 O LEU A 106 1.002 -0.415 -6.232 1.00 0.00 O ATOM 1383 CB LEU A 106 2.417 0.186 -8.822 1.00 0.00 C ATOM 1384 CG LEU A 106 1.723 -0.521 -9.988 1.00 0.00 C ATOM 1385 CD1 LEU A 106 1.437 0.460 -11.113 1.00 0.00 C ATOM 1386 CD2 LEU A 106 2.573 -1.679 -10.490 1.00 0.00 C ATOM 0 H LEU A 106 3.243 1.611 -6.919 1.00 0.00 H new ATOM 0 HA LEU A 106 0.938 1.731 -8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.253 0.766 -9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.837 -0.569 -8.157 1.00 0.00 H new ATOM 0 HG LEU A 106 0.773 -0.921 -9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.943 -0.061 -11.933 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.789 1.256 -10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.374 0.890 -11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.065 -2.171 -11.319 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.538 -1.302 -10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.726 -2.395 -9.682 1.00 0.00 H new ATOM 1398 N VAL A 107 -0.723 0.402 -7.412 1.00 0.00 N ATOM 1399 CA VAL A 107 -1.722 -0.326 -6.642 1.00 0.00 C ATOM 1400 C VAL A 107 -2.609 -1.177 -7.545 1.00 0.00 C ATOM 1401 O VAL A 107 -2.668 -0.963 -8.755 1.00 0.00 O ATOM 1402 CB VAL A 107 -2.606 0.637 -5.824 1.00 0.00 C ATOM 1403 CG1 VAL A 107 -1.747 1.546 -4.961 1.00 0.00 C ATOM 1404 CG2 VAL A 107 -3.504 1.458 -6.739 1.00 0.00 C ATOM 0 H VAL A 107 -1.104 0.984 -8.158 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.180 -0.981 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.243 0.042 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.388 2.219 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.153 0.942 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.083 2.130 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.118 2.130 -6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.889 2.042 -7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.149 0.790 -7.311 1.00 0.00 H new ATOM 1414 N PHE A 108 -3.302 -2.139 -6.946 1.00 0.00 N ATOM 1415 CA PHE A 108 -4.193 -3.017 -7.694 1.00 0.00 C ATOM 1416 C PHE A 108 -5.553 -3.111 -7.010 1.00 0.00 C ATOM 1417 O PHE A 108 -5.640 -3.400 -5.816 1.00 0.00 O ATOM 1418 CB PHE A 108 -3.582 -4.411 -7.834 1.00 0.00 C ATOM 1419 CG PHE A 108 -4.421 -5.353 -8.652 1.00 0.00 C ATOM 1420 CD1 PHE A 108 -5.586 -5.895 -8.132 1.00 0.00 C ATOM 1421 CD2 PHE A 108 -4.045 -5.693 -9.943 1.00 0.00 C ATOM 1422 CE1 PHE A 108 -6.361 -6.758 -8.883 1.00 0.00 C ATOM 1423 CE2 PHE A 108 -4.816 -6.557 -10.698 1.00 0.00 C ATOM 1424 CZ PHE A 108 -5.975 -7.090 -10.167 1.00 0.00 C ATOM 0 H PHE A 108 -3.264 -2.330 -5.945 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.329 -2.593 -8.689 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.597 -4.323 -8.292 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.435 -4.836 -6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.892 -5.640 -7.128 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.140 -5.278 -10.363 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.267 -7.172 -8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.513 -6.815 -11.702 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.578 -7.765 -10.755 1.00 0.00 H new ATOM 1434 N ARG A 109 -6.612 -2.861 -7.772 1.00 0.00 N ATOM 1435 CA ARG A 109 -7.967 -2.913 -7.234 1.00 0.00 C ATOM 1436 C ARG A 109 -8.659 -4.219 -7.612 1.00 0.00 C ATOM 1437 O ARG A 109 -8.447 -4.755 -8.701 1.00 0.00 O ATOM 1438 CB ARG A 109 -8.785 -1.722 -7.740 1.00 0.00 C ATOM 1439 CG ARG A 109 -8.800 -0.547 -6.777 1.00 0.00 C ATOM 1440 CD ARG A 109 -9.982 0.373 -7.036 1.00 0.00 C ATOM 1441 NE ARG A 109 -9.566 1.765 -7.189 1.00 0.00 N ATOM 1442 CZ ARG A 109 -8.974 2.471 -6.230 1.00 0.00 C ATOM 1443 NH1 ARG A 109 -8.733 1.925 -5.044 1.00 0.00 N ATOM 1444 NH2 ARG A 109 -8.625 3.731 -6.459 1.00 0.00 N ATOM 0 H ARG A 109 -6.559 -2.621 -8.762 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.899 -2.864 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.380 -1.393 -8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.810 -2.046 -7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.843 -0.916 -5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.872 0.016 -6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.504 0.049 -7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.691 0.294 -6.211 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.740 2.222 -8.084 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -9.002 0.958 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -8.279 2.473 -4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.811 4.155 -7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.171 4.276 -5.726 1.00 0.00 H new ATOM 1458 N GLN A 110 -9.491 -4.723 -6.707 1.00 0.00 N ATOM 1459 CA GLN A 110 -10.219 -5.961 -6.939 1.00 0.00 C ATOM 1460 C GLN A 110 -11.599 -5.909 -6.290 1.00 0.00 C ATOM 1461 O GLN A 110 -11.717 -5.856 -5.066 1.00 0.00 O ATOM 1462 CB GLN A 110 -9.430 -7.151 -6.391 1.00 0.00 C ATOM 1463 CG GLN A 110 -9.179 -7.077 -4.893 1.00 0.00 C ATOM 1464 CD GLN A 110 -8.055 -7.992 -4.445 1.00 0.00 C ATOM 1465 OE1 GLN A 110 -6.953 -7.950 -4.988 1.00 0.00 O ATOM 1466 NE2 GLN A 110 -8.333 -8.825 -3.449 1.00 0.00 N ATOM 0 H GLN A 110 -9.677 -4.289 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 110 -10.347 -6.083 -8.015 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.972 -8.070 -6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -8.473 -7.211 -6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -8.938 -6.050 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -10.093 -7.343 -4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -9.262 -8.825 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -7.617 -9.465 -3.105 1.00 0.00 H new ATOM 1475 N GLU A 111 -12.638 -5.920 -7.117 1.00 0.00 N ATOM 1476 CA GLU A 111 -14.009 -5.871 -6.624 1.00 0.00 C ATOM 1477 C GLU A 111 -14.439 -7.225 -6.066 1.00 0.00 C ATOM 1478 O GLU A 111 -13.750 -8.229 -6.247 1.00 0.00 O ATOM 1479 CB GLU A 111 -14.961 -5.442 -7.742 1.00 0.00 C ATOM 1480 CG GLU A 111 -16.099 -4.556 -7.265 1.00 0.00 C ATOM 1481 CD GLU A 111 -15.897 -3.099 -7.632 1.00 0.00 C ATOM 1482 OE1 GLU A 111 -14.770 -2.592 -7.453 1.00 0.00 O ATOM 1483 OE2 GLU A 111 -16.868 -2.462 -8.095 1.00 0.00 O ATOM 0 H GLU A 111 -12.557 -5.962 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.051 -5.138 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.394 -4.911 -8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -15.378 -6.332 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -17.035 -4.909 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.194 -4.644 -6.183 1.00 0.00 H new ATOM 1490 N GLU A 112 -15.581 -7.245 -5.387 1.00 0.00 N ATOM 1491 CA GLU A 112 -16.103 -8.475 -4.803 1.00 0.00 C ATOM 1492 C GLU A 112 -17.386 -8.910 -5.506 1.00 0.00 C ATOM 1493 O GLU A 112 -18.422 -8.258 -5.387 1.00 0.00 O ATOM 1494 CB GLU A 112 -16.365 -8.280 -3.306 1.00 0.00 C ATOM 1495 CG GLU A 112 -15.510 -9.172 -2.419 1.00 0.00 C ATOM 1496 CD GLU A 112 -16.315 -9.854 -1.330 1.00 0.00 C ATOM 1497 OE1 GLU A 112 -17.487 -10.201 -1.586 1.00 0.00 O ATOM 1498 OE2 GLU A 112 -15.772 -10.044 -0.220 1.00 0.00 O ATOM 0 H GLU A 112 -16.163 -6.423 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 112 -15.357 -9.258 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -16.180 -7.238 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -17.417 -8.478 -3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -15.022 -9.929 -3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.721 -8.575 -1.962 1.00 0.00 H new ATOM 1505 N ALA A 113 -17.307 -10.018 -6.238 1.00 0.00 N ATOM 1506 CA ALA A 113 -18.460 -10.540 -6.960 1.00 0.00 C ATOM 1507 C ALA A 113 -18.392 -12.058 -7.077 1.00 0.00 C ATOM 1508 O ALA A 113 -17.346 -12.663 -6.847 1.00 0.00 O ATOM 1509 CB ALA A 113 -18.551 -9.905 -8.339 1.00 0.00 C ATOM 0 H ALA A 113 -16.456 -10.570 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 113 -19.357 -10.285 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -19.417 -10.304 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -18.655 -8.825 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -17.646 -10.130 -8.904 1.00 0.00 H new TER 1515 ALA A 113