USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1119 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 91 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -154:sc= 0.932 (180deg=-0.299!) USER MOD Set 2.1: A 59 HIS : no HD1:sc= -0.198 K(o=-0.39,f=0.76) USER MOD Set 2.2: A 61 SER OG : rot 180:sc= -0.191 USER MOD Set 3.1: A 48 GLN : amide:sc= -1.38! K(o=-1.5!,f=1.4) USER MOD Set 3.2: A 74 TYR OH : rot 180:sc= -0.109 USER MOD Set 4.1: A 32 THR OG1 : rot 95:sc= 1.34 USER MOD Set 4.2: A 33 HIS : no HD1:sc=0.000549! C(o=1.3!,f=-10!) USER MOD Set 5.1: A 18 HIS : no HD1:sc= 0.222 K(o=2,f=-0.96!) USER MOD Set 5.2: A 105 TYR OH : rot 2:sc= 0.945 USER MOD Set 5.3: A 119 HIS : no HD1:sc= 0.787 K(o=2,f=-2.2) USER MOD Single : A 11 GLN : amide:sc= 0.0919 K(o=0.092,f=-1.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0951 X(o=-0.095,f=-0.11) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 36 MET CE :methyl 160:sc= -1.8 (180deg=-3.95!) USER MOD Single : A 44 HIS : no HD1:sc= -0.462 X(o=-0.46,f=0.0022) USER MOD Single : A 45 SER OG : rot 22:sc= -0.319 USER MOD Single : A 46 ASN : amide:sc= -0.493 X(o=-0.49,f=-0.022) USER MOD Single : A 49 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.21) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0.956 K(o=0.96,f=-5.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 140:sc= 0.0257 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= -0.0818 (180deg=-0.248) USER MOD Single : A 79 SER OG : rot 23:sc= 0.128 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -155:sc= 0.382 (180deg=-0.146) USER MOD Single : A 94 ASN : amide:sc= -5.91! C(o=-5.9!,f=-4.8!) USER MOD Single : A 95 LYS NZ :NH3+ 172:sc=-0.000565 (180deg=-0.086) USER MOD Single : A 110 HIS : no HD1:sc= -0.529 X(o=-0.53,f=-0.93) USER MOD Single : A 118 ASN : amide:sc= -0.349 K(o=-0.35,f=-5.2!) USER MOD Single : A 122 CYS SG : rot -11:sc= 0.894 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.0439 X(o=-0.044,f=-0.46) USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 137 LYS NZ :NH3+ -134:sc= 0.606 (180deg=-0.061) USER MOD Single : A 140 LYS NZ :NH3+ -159:sc= -0.0974 (180deg=-0.469) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 22.987 3.046 8.279 1.00 0.00 N ATOM 100 CA ALA A 9 21.692 2.473 7.996 1.00 0.00 C ATOM 101 C ALA A 9 20.940 3.369 7.031 1.00 0.00 C ATOM 102 O ALA A 9 20.746 4.554 7.302 1.00 0.00 O ATOM 103 CB ALA A 9 20.907 2.279 9.284 1.00 0.00 C ATOM 0 HA ALA A 9 21.823 1.495 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.933 1.846 9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.455 1.609 9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.770 3.242 9.775 1.00 0.00 H new ATOM 109 N VAL A 10 20.527 2.806 5.908 1.00 0.00 N ATOM 110 CA VAL A 10 19.802 3.563 4.906 1.00 0.00 C ATOM 111 C VAL A 10 18.318 3.304 5.072 1.00 0.00 C ATOM 112 O VAL A 10 17.864 2.162 4.986 1.00 0.00 O ATOM 113 CB VAL A 10 20.236 3.198 3.470 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.543 4.096 2.460 1.00 0.00 C ATOM 115 CG2 VAL A 10 21.748 3.282 3.308 1.00 0.00 C ATOM 0 H VAL A 10 20.682 1.827 5.669 1.00 0.00 H new ATOM 0 HA VAL A 10 20.027 4.619 5.053 1.00 0.00 H new ATOM 0 HB VAL A 10 19.937 2.166 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.861 3.824 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.463 3.974 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.807 5.135 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.020 3.019 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.081 4.298 3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.227 2.590 4.000 1.00 0.00 H new ATOM 125 N GLN A 11 17.573 4.358 5.355 1.00 0.00 N ATOM 126 CA GLN A 11 16.159 4.221 5.645 1.00 0.00 C ATOM 127 C GLN A 11 15.328 4.664 4.465 1.00 0.00 C ATOM 128 O GLN A 11 15.511 5.761 3.932 1.00 0.00 O ATOM 129 CB GLN A 11 15.770 5.033 6.883 1.00 0.00 C ATOM 130 CG GLN A 11 16.874 5.130 7.918 1.00 0.00 C ATOM 131 CD GLN A 11 17.621 6.444 7.839 1.00 0.00 C ATOM 132 OE1 GLN A 11 18.606 6.566 7.113 1.00 0.00 O ATOM 133 NE2 GLN A 11 17.160 7.434 8.584 1.00 0.00 N ATOM 0 H GLN A 11 17.924 5.315 5.390 1.00 0.00 H new ATOM 0 HA GLN A 11 15.963 3.167 5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.485 6.038 6.573 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.891 4.580 7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.446 5.017 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.575 4.307 7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 11 16.339 7.290 9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 11 17.625 8.342 8.570 1.00 0.00 H new ATOM 142 N VAL A 12 14.419 3.804 4.059 1.00 0.00 N ATOM 143 CA VAL A 12 13.517 4.110 2.985 1.00 0.00 C ATOM 144 C VAL A 12 12.112 4.292 3.536 1.00 0.00 C ATOM 145 O VAL A 12 11.696 3.568 4.444 1.00 0.00 O ATOM 146 CB VAL A 12 13.530 2.997 1.925 1.00 0.00 C ATOM 147 CG1 VAL A 12 14.880 2.931 1.223 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.219 1.665 2.556 1.00 0.00 C ATOM 0 H VAL A 12 14.290 2.878 4.466 1.00 0.00 H new ATOM 0 HA VAL A 12 13.842 5.035 2.509 1.00 0.00 H new ATOM 0 HB VAL A 12 12.763 3.229 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.864 2.136 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.082 3.883 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.661 2.726 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.232 0.888 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.967 1.439 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.232 1.703 3.018 1.00 0.00 H new ATOM 158 N LYS A 13 11.395 5.274 3.023 1.00 0.00 N ATOM 159 CA LYS A 13 10.048 5.520 3.476 1.00 0.00 C ATOM 160 C LYS A 13 9.036 5.142 2.418 1.00 0.00 C ATOM 161 O LYS A 13 9.113 5.586 1.273 1.00 0.00 O ATOM 162 CB LYS A 13 9.864 6.979 3.885 1.00 0.00 C ATOM 163 CG LYS A 13 10.396 7.280 5.265 1.00 0.00 C ATOM 164 CD LYS A 13 10.121 8.722 5.648 1.00 0.00 C ATOM 165 CE LYS A 13 10.488 9.003 7.091 1.00 0.00 C ATOM 166 NZ LYS A 13 10.260 10.427 7.447 1.00 0.00 N ATOM 0 H LYS A 13 11.725 5.909 2.296 1.00 0.00 H new ATOM 0 HA LYS A 13 9.879 4.892 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.368 7.619 3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.804 7.229 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.933 6.612 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.469 7.090 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.686 9.386 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.065 8.944 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.898 8.364 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.535 8.749 7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.522 10.582 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.842 11.035 6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.256 10.662 7.313 1.00 0.00 H new ATOM 180 N LEU A 14 8.100 4.304 2.815 1.00 0.00 N ATOM 181 CA LEU A 14 6.996 3.929 1.953 1.00 0.00 C ATOM 182 C LEU A 14 5.706 4.423 2.566 1.00 0.00 C ATOM 183 O LEU A 14 5.486 4.290 3.762 1.00 0.00 O ATOM 184 CB LEU A 14 6.924 2.424 1.759 1.00 0.00 C ATOM 185 CG LEU A 14 8.150 1.780 1.114 1.00 0.00 C ATOM 186 CD1 LEU A 14 8.007 0.277 1.139 1.00 0.00 C ATOM 187 CD2 LEU A 14 8.322 2.261 -0.316 1.00 0.00 C ATOM 0 H LEU A 14 8.082 3.866 3.736 1.00 0.00 H new ATOM 0 HA LEU A 14 7.153 4.383 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.761 1.958 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.052 2.196 1.146 1.00 0.00 H new ATOM 0 HG LEU A 14 9.034 2.070 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.883 -0.180 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.921 -0.063 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.114 -0.013 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.201 1.789 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.439 1.996 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.449 3.344 -0.323 1.00 0.00 H new ATOM 199 N GLU A 15 4.859 4.970 1.744 1.00 0.00 N ATOM 200 CA GLU A 15 3.680 5.663 2.217 1.00 0.00 C ATOM 201 C GLU A 15 2.415 4.872 1.909 1.00 0.00 C ATOM 202 O GLU A 15 2.177 4.485 0.764 1.00 0.00 O ATOM 203 CB GLU A 15 3.638 7.059 1.585 1.00 0.00 C ATOM 204 CG GLU A 15 2.483 7.930 2.049 1.00 0.00 C ATOM 205 CD GLU A 15 2.709 9.394 1.737 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.480 9.810 0.583 1.00 0.00 O ATOM 207 OE2 GLU A 15 3.125 10.136 2.652 1.00 0.00 O ATOM 0 H GLU A 15 4.959 4.953 0.729 1.00 0.00 H new ATOM 0 HA GLU A 15 3.730 5.764 3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.574 7.572 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.582 6.951 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.563 7.596 1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.346 7.806 3.123 1.00 0.00 H new ATOM 214 N LEU A 16 1.627 4.622 2.949 1.00 0.00 N ATOM 215 CA LEU A 16 0.331 3.977 2.798 1.00 0.00 C ATOM 216 C LEU A 16 -0.727 5.048 2.710 1.00 0.00 C ATOM 217 O LEU A 16 -0.662 6.051 3.418 1.00 0.00 O ATOM 218 CB LEU A 16 -0.034 3.071 3.982 1.00 0.00 C ATOM 219 CG LEU A 16 0.702 1.742 4.115 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.726 0.998 2.802 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.105 1.958 4.619 1.00 0.00 C ATOM 0 H LEU A 16 1.867 4.859 3.912 1.00 0.00 H new ATOM 0 HA LEU A 16 0.385 3.359 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.129 3.637 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.101 2.858 3.924 1.00 0.00 H new ATOM 0 HG LEU A 16 0.161 1.134 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.257 0.055 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.295 0.799 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.234 1.603 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.612 0.997 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.649 2.593 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.070 2.440 5.596 1.00 0.00 H new ATOM 233 N GLY A 17 -1.699 4.830 1.866 1.00 0.00 N ATOM 234 CA GLY A 17 -2.750 5.798 1.703 1.00 0.00 C ATOM 235 C GLY A 17 -4.028 5.166 1.251 1.00 0.00 C ATOM 236 O GLY A 17 -4.041 3.992 0.880 1.00 0.00 O ATOM 0 H GLY A 17 -1.785 3.997 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.916 6.316 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.441 6.550 0.977 1.00 0.00 H new ATOM 240 N HIS A 18 -5.102 5.934 1.297 1.00 0.00 N ATOM 241 CA HIS A 18 -6.383 5.478 0.800 1.00 0.00 C ATOM 242 C HIS A 18 -7.410 6.598 0.877 1.00 0.00 C ATOM 243 O HIS A 18 -7.378 7.434 1.784 1.00 0.00 O ATOM 244 CB HIS A 18 -6.857 4.218 1.566 1.00 0.00 C ATOM 245 CG HIS A 18 -8.108 4.383 2.378 1.00 0.00 C ATOM 246 ND1 HIS A 18 -8.126 4.988 3.616 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.388 4.023 2.120 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.358 4.996 4.079 1.00 0.00 C ATOM 249 NE2 HIS A 18 -10.144 4.416 3.193 1.00 0.00 N ATOM 0 H HIS A 18 -5.110 6.881 1.676 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.270 5.198 -0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.017 3.416 0.846 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.055 3.895 2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.746 3.520 1.234 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.673 5.409 5.026 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.150 4.282 3.291 1.00 0.00 H new ATOM 258 N ARG A 19 -8.302 6.606 -0.091 1.00 0.00 N ATOM 259 CA ARG A 19 -9.428 7.508 -0.095 1.00 0.00 C ATOM 260 C ARG A 19 -10.700 6.689 -0.140 1.00 0.00 C ATOM 261 O ARG A 19 -10.666 5.535 -0.551 1.00 0.00 O ATOM 262 CB ARG A 19 -9.394 8.446 -1.299 1.00 0.00 C ATOM 263 CG ARG A 19 -8.142 9.289 -1.417 1.00 0.00 C ATOM 264 CD ARG A 19 -8.262 10.249 -2.588 1.00 0.00 C ATOM 265 NE ARG A 19 -9.280 11.273 -2.343 1.00 0.00 N ATOM 266 CZ ARG A 19 -10.479 11.302 -2.927 1.00 0.00 C ATOM 267 NH1 ARG A 19 -10.825 10.364 -3.804 1.00 0.00 N ATOM 268 NH2 ARG A 19 -11.335 12.269 -2.625 1.00 0.00 N ATOM 0 H ARG A 19 -8.264 5.984 -0.899 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.386 8.118 0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.501 7.852 -2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.257 9.109 -1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.983 9.848 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.273 8.645 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.299 10.728 -2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.514 9.693 -3.491 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.057 12.015 -1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.172 9.615 -4.034 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.744 10.393 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.076 12.987 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.253 12.295 -3.069 1.00 0.00 H new ATOM 282 N ALA A 20 -11.803 7.270 0.291 1.00 0.00 N ATOM 283 CA ALA A 20 -13.094 6.603 0.210 1.00 0.00 C ATOM 284 C ALA A 20 -14.195 7.605 -0.079 1.00 0.00 C ATOM 285 O ALA A 20 -14.244 8.670 0.535 1.00 0.00 O ATOM 286 CB ALA A 20 -13.392 5.859 1.497 1.00 0.00 C ATOM 0 H ALA A 20 -11.834 8.203 0.702 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.053 5.883 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.361 5.367 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.619 5.111 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.410 6.563 2.329 1.00 0.00 H new ATOM 292 N GLN A 21 -15.067 7.265 -1.016 1.00 0.00 N ATOM 293 CA GLN A 21 -16.214 8.098 -1.328 1.00 0.00 C ATOM 294 C GLN A 21 -17.404 7.213 -1.660 1.00 0.00 C ATOM 295 O GLN A 21 -17.250 6.152 -2.273 1.00 0.00 O ATOM 296 CB GLN A 21 -15.890 9.078 -2.471 1.00 0.00 C ATOM 297 CG GLN A 21 -15.827 8.488 -3.875 1.00 0.00 C ATOM 298 CD GLN A 21 -17.130 8.634 -4.646 1.00 0.00 C ATOM 299 OE1 GLN A 21 -17.372 9.656 -5.290 1.00 0.00 O ATOM 300 NE2 GLN A 21 -17.962 7.606 -4.615 1.00 0.00 N ATOM 0 H GLN A 21 -15.000 6.414 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.468 8.704 -0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.641 9.868 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.931 9.549 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.027 8.976 -4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.569 7.431 -3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.727 6.776 -4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.838 7.643 -5.136 1.00 0.00 H new ATOM 309 N VAL A 22 -18.581 7.621 -1.231 1.00 0.00 N ATOM 310 CA VAL A 22 -19.768 6.817 -1.442 1.00 0.00 C ATOM 311 C VAL A 22 -20.599 7.371 -2.585 1.00 0.00 C ATOM 312 O VAL A 22 -20.696 8.585 -2.770 1.00 0.00 O ATOM 313 CB VAL A 22 -20.652 6.731 -0.184 1.00 0.00 C ATOM 314 CG1 VAL A 22 -21.557 5.517 -0.259 1.00 0.00 C ATOM 315 CG2 VAL A 22 -19.821 6.703 1.083 1.00 0.00 C ATOM 0 H VAL A 22 -18.741 8.499 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.417 5.814 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 22 -21.270 7.628 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.176 5.469 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -22.196 5.594 -1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.950 4.614 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -20.480 6.642 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -19.162 5.835 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -19.222 7.612 1.146 1.00 0.00 H new ATOM 325 N ARG A 23 -21.173 6.474 -3.357 1.00 0.00 N ATOM 326 CA ARG A 23 -22.106 6.848 -4.409 1.00 0.00 C ATOM 327 C ARG A 23 -23.527 6.654 -3.906 1.00 0.00 C ATOM 328 O ARG A 23 -23.831 5.653 -3.258 1.00 0.00 O ATOM 329 CB ARG A 23 -21.865 6.010 -5.671 1.00 0.00 C ATOM 330 CG ARG A 23 -21.234 4.659 -5.382 1.00 0.00 C ATOM 331 CD ARG A 23 -21.649 3.600 -6.389 1.00 0.00 C ATOM 332 NE ARG A 23 -21.308 3.956 -7.763 1.00 0.00 N ATOM 333 CZ ARG A 23 -20.396 3.314 -8.489 1.00 0.00 C ATOM 334 NH1 ARG A 23 -19.610 2.407 -7.921 1.00 0.00 N ATOM 335 NH2 ARG A 23 -20.242 3.607 -9.772 1.00 0.00 N ATOM 0 H ARG A 23 -21.011 5.470 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.952 7.895 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.814 5.858 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -21.220 6.567 -6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.149 4.759 -5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.517 4.335 -4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.168 2.656 -6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.725 3.440 -6.317 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.797 4.742 -8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.705 2.201 -6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.912 1.916 -8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.823 4.325 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.543 3.114 -10.327 1.00 0.00 H new ATOM 349 N LYS A 24 -24.390 7.623 -4.198 1.00 0.00 N ATOM 350 CA LYS A 24 -25.769 7.603 -3.714 1.00 0.00 C ATOM 351 C LYS A 24 -26.557 6.461 -4.355 1.00 0.00 C ATOM 352 O LYS A 24 -27.684 6.162 -3.954 1.00 0.00 O ATOM 353 CB LYS A 24 -26.445 8.954 -4.006 1.00 0.00 C ATOM 354 CG LYS A 24 -27.829 9.128 -3.392 1.00 0.00 C ATOM 355 CD LYS A 24 -27.764 9.754 -2.005 1.00 0.00 C ATOM 356 CE LYS A 24 -29.143 9.864 -1.380 1.00 0.00 C ATOM 357 NZ LYS A 24 -29.089 10.480 -0.029 1.00 0.00 N ATOM 0 H LYS A 24 -24.158 8.435 -4.770 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.756 7.437 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -25.799 9.753 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -26.525 9.077 -5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -28.439 9.754 -4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -28.322 8.158 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -27.119 9.153 -1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -27.314 10.744 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -29.788 10.460 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -29.590 8.873 -1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -30.050 10.538 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -28.494 9.898 0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -28.686 11.436 -0.099 1.00 0.00 H new ATOM 371 N LYS A 25 -25.965 5.829 -5.356 1.00 0.00 N ATOM 372 CA LYS A 25 -26.564 4.668 -5.982 1.00 0.00 C ATOM 373 C LYS A 25 -25.530 3.566 -6.157 1.00 0.00 C ATOM 374 O LYS A 25 -24.566 3.725 -6.911 1.00 0.00 O ATOM 375 CB LYS A 25 -27.173 5.031 -7.330 1.00 0.00 C ATOM 376 CG LYS A 25 -27.829 3.853 -8.021 1.00 0.00 C ATOM 377 CD LYS A 25 -28.704 4.306 -9.155 1.00 0.00 C ATOM 378 CE LYS A 25 -29.443 3.135 -9.763 1.00 0.00 C ATOM 379 NZ LYS A 25 -30.386 3.571 -10.820 1.00 0.00 N ATOM 0 H LYS A 25 -25.066 6.105 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 25 -27.359 4.306 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -27.912 5.819 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -26.395 5.437 -7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -27.062 3.176 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -28.424 3.291 -7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -29.419 5.046 -8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -28.096 4.794 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -28.725 2.431 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -29.990 2.605 -8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -30.874 2.741 -11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -31.086 4.224 -10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -29.861 4.054 -11.576 1.00 0.00 H new ATOM 393 N PRO A 26 -25.714 2.443 -5.444 1.00 0.00 N ATOM 394 CA PRO A 26 -24.855 1.266 -5.578 1.00 0.00 C ATOM 395 C PRO A 26 -24.827 0.747 -7.007 1.00 0.00 C ATOM 396 O PRO A 26 -25.714 1.045 -7.807 1.00 0.00 O ATOM 397 CB PRO A 26 -25.501 0.227 -4.657 1.00 0.00 C ATOM 398 CG PRO A 26 -26.349 1.006 -3.714 1.00 0.00 C ATOM 399 CD PRO A 26 -26.782 2.242 -4.452 1.00 0.00 C ATOM 0 HA PRO A 26 -23.820 1.491 -5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -26.099 -0.485 -5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.745 -0.348 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -27.212 0.422 -3.395 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.791 1.266 -2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.752 2.105 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -26.874 3.097 -3.783 1.00 0.00 H new ATOM 407 N THR A 27 -23.807 -0.027 -7.327 1.00 0.00 N ATOM 408 CA THR A 27 -23.691 -0.599 -8.655 1.00 0.00 C ATOM 409 C THR A 27 -24.618 -1.806 -8.780 1.00 0.00 C ATOM 410 O THR A 27 -25.263 -2.189 -7.804 1.00 0.00 O ATOM 411 CB THR A 27 -22.230 -1.002 -8.978 1.00 0.00 C ATOM 412 OG1 THR A 27 -22.125 -1.516 -10.311 1.00 0.00 O ATOM 413 CG2 THR A 27 -21.710 -2.036 -7.989 1.00 0.00 C ATOM 0 H THR A 27 -23.050 -0.273 -6.689 1.00 0.00 H new ATOM 0 HA THR A 27 -23.987 0.160 -9.379 1.00 0.00 H new ATOM 0 HB THR A 27 -21.620 -0.103 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 27 -21.194 -1.762 -10.494 1.00 0.00 H new ATOM 0 HG21 THR A 27 -20.683 -2.298 -8.243 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.741 -1.623 -6.981 1.00 0.00 H new ATOM 0 HG23 THR A 27 -22.334 -2.929 -8.034 1.00 0.00 H new ATOM 421 N VAL A 28 -24.685 -2.387 -9.969 1.00 0.00 N ATOM 422 CA VAL A 28 -25.510 -3.566 -10.230 1.00 0.00 C ATOM 423 C VAL A 28 -25.344 -4.640 -9.147 1.00 0.00 C ATOM 424 O VAL A 28 -26.319 -5.251 -8.703 1.00 0.00 O ATOM 425 CB VAL A 28 -25.175 -4.155 -11.615 1.00 0.00 C ATOM 426 CG1 VAL A 28 -23.668 -4.238 -11.823 1.00 0.00 C ATOM 427 CG2 VAL A 28 -25.815 -5.522 -11.792 1.00 0.00 C ATOM 0 H VAL A 28 -24.169 -2.056 -10.784 1.00 0.00 H new ATOM 0 HA VAL A 28 -26.551 -3.243 -10.214 1.00 0.00 H new ATOM 0 HB VAL A 28 -25.586 -3.485 -12.371 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -23.459 -4.657 -12.807 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.236 -3.240 -11.754 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.230 -4.877 -11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -25.564 -5.916 -12.777 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.443 -6.200 -11.024 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -26.898 -5.431 -11.703 1.00 0.00 H new ATOM 437 N GLU A 29 -24.116 -4.836 -8.696 1.00 0.00 N ATOM 438 CA GLU A 29 -23.817 -5.875 -7.722 1.00 0.00 C ATOM 439 C GLU A 29 -24.024 -5.380 -6.289 1.00 0.00 C ATOM 440 O GLU A 29 -23.783 -6.109 -5.330 1.00 0.00 O ATOM 441 CB GLU A 29 -22.391 -6.363 -7.929 1.00 0.00 C ATOM 442 CG GLU A 29 -22.132 -6.830 -9.355 1.00 0.00 C ATOM 443 CD GLU A 29 -20.703 -7.275 -9.569 1.00 0.00 C ATOM 444 OE1 GLU A 29 -20.374 -8.432 -9.240 1.00 0.00 O ATOM 445 OE2 GLU A 29 -19.901 -6.466 -10.075 1.00 0.00 O ATOM 0 H GLU A 29 -23.307 -4.288 -8.989 1.00 0.00 H new ATOM 0 HA GLU A 29 -24.508 -6.705 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -21.697 -5.560 -7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -22.188 -7.183 -7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -22.805 -7.654 -9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.364 -6.020 -10.047 1.00 0.00 H new ATOM 452 N GLY A 30 -24.460 -4.135 -6.153 1.00 0.00 N ATOM 453 CA GLY A 30 -24.830 -3.609 -4.853 1.00 0.00 C ATOM 454 C GLY A 30 -23.648 -3.129 -4.043 1.00 0.00 C ATOM 455 O GLY A 30 -23.632 -3.255 -2.818 1.00 0.00 O ATOM 0 H GLY A 30 -24.565 -3.476 -6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.528 -2.783 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -25.356 -4.382 -4.292 1.00 0.00 H new ATOM 459 N PHE A 31 -22.652 -2.594 -4.721 1.00 0.00 N ATOM 460 CA PHE A 31 -21.496 -2.033 -4.049 1.00 0.00 C ATOM 461 C PHE A 31 -21.688 -0.524 -3.916 1.00 0.00 C ATOM 462 O PHE A 31 -21.922 0.170 -4.910 1.00 0.00 O ATOM 463 CB PHE A 31 -20.208 -2.358 -4.814 1.00 0.00 C ATOM 464 CG PHE A 31 -20.043 -3.819 -5.177 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.576 -4.825 -4.386 1.00 0.00 C ATOM 466 CD2 PHE A 31 -19.346 -4.181 -6.318 1.00 0.00 C ATOM 467 CE1 PHE A 31 -20.417 -6.156 -4.729 1.00 0.00 C ATOM 468 CE2 PHE A 31 -19.184 -5.506 -6.663 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.722 -6.496 -5.868 1.00 0.00 C ATOM 0 H PHE A 31 -22.620 -2.536 -5.739 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.402 -2.474 -3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.184 -1.765 -5.728 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.355 -2.048 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.122 -4.567 -3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -18.922 -3.413 -6.948 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.838 -6.929 -4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.636 -5.769 -7.556 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.599 -7.534 -6.138 1.00 0.00 H new ATOM 479 N THR A 32 -21.621 -0.035 -2.688 1.00 0.00 N ATOM 480 CA THR A 32 -21.976 1.347 -2.375 1.00 0.00 C ATOM 481 C THR A 32 -20.749 2.253 -2.213 1.00 0.00 C ATOM 482 O THR A 32 -20.785 3.435 -2.557 1.00 0.00 O ATOM 483 CB THR A 32 -22.796 1.400 -1.075 1.00 0.00 C ATOM 484 OG1 THR A 32 -22.033 0.850 0.011 1.00 0.00 O ATOM 485 CG2 THR A 32 -24.083 0.633 -1.216 1.00 0.00 C ATOM 0 H THR A 32 -21.320 -0.580 -1.880 1.00 0.00 H new ATOM 0 HA THR A 32 -22.560 1.715 -3.219 1.00 0.00 H new ATOM 0 HB THR A 32 -23.031 2.444 -0.869 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.578 1.573 0.490 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.643 0.687 -0.282 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.677 1.065 -2.021 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.862 -0.409 -1.447 1.00 0.00 H new ATOM 493 N HIS A 33 -19.673 1.696 -1.683 1.00 0.00 N ATOM 494 CA HIS A 33 -18.505 2.478 -1.297 1.00 0.00 C ATOM 495 C HIS A 33 -17.344 2.247 -2.253 1.00 0.00 C ATOM 496 O HIS A 33 -16.927 1.116 -2.458 1.00 0.00 O ATOM 497 CB HIS A 33 -18.071 2.091 0.120 1.00 0.00 C ATOM 498 CG HIS A 33 -18.925 2.653 1.216 1.00 0.00 C ATOM 499 ND1 HIS A 33 -20.172 2.164 1.546 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.677 3.653 2.090 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.649 2.838 2.577 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.760 3.746 2.923 1.00 0.00 N ATOM 0 H HIS A 33 -19.582 0.695 -1.508 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.780 3.532 -1.333 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.071 1.004 0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -17.044 2.422 0.273 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.789 4.266 2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.604 2.673 3.054 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.862 4.412 3.689 1.00 0.00 H new ATOM 511 N ASP A 34 -16.815 3.321 -2.815 1.00 0.00 N ATOM 512 CA ASP A 34 -15.661 3.231 -3.701 1.00 0.00 C ATOM 513 C ASP A 34 -14.448 3.812 -3.006 1.00 0.00 C ATOM 514 O ASP A 34 -14.525 4.885 -2.403 1.00 0.00 O ATOM 515 CB ASP A 34 -15.911 3.978 -5.014 1.00 0.00 C ATOM 516 CG ASP A 34 -16.894 3.266 -5.921 1.00 0.00 C ATOM 517 OD1 ASP A 34 -18.109 3.313 -5.643 1.00 0.00 O ATOM 518 OD2 ASP A 34 -16.458 2.675 -6.935 1.00 0.00 O ATOM 0 H ASP A 34 -17.166 4.269 -2.674 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.488 2.181 -3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.287 4.977 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.965 4.104 -5.540 1.00 0.00 H new ATOM 523 N TRP A 35 -13.338 3.105 -3.071 1.00 0.00 N ATOM 524 CA TRP A 35 -12.127 3.564 -2.425 1.00 0.00 C ATOM 525 C TRP A 35 -10.903 3.341 -3.305 1.00 0.00 C ATOM 526 O TRP A 35 -10.952 2.607 -4.295 1.00 0.00 O ATOM 527 CB TRP A 35 -11.938 2.895 -1.057 1.00 0.00 C ATOM 528 CG TRP A 35 -11.992 1.394 -1.062 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.051 0.604 -0.708 1.00 0.00 C ATOM 530 CD2 TRP A 35 -10.925 0.505 -1.406 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.702 -0.724 -0.814 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.401 -0.808 -1.241 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.610 0.695 -1.840 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.603 -1.925 -1.491 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.823 -0.412 -2.084 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.319 -1.704 -1.908 1.00 0.00 C ATOM 0 H TRP A 35 -13.250 2.215 -3.562 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.234 4.637 -2.267 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.976 3.206 -0.649 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.707 3.267 -0.380 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -14.018 0.968 -0.392 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.311 -1.516 -0.609 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.217 1.691 -1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -10.985 -2.927 -1.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.805 -0.276 -2.417 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.675 -2.548 -2.105 1.00 0.00 H new ATOM 547 N MET A 36 -9.817 3.991 -2.925 1.00 0.00 N ATOM 548 CA MET A 36 -8.542 3.873 -3.616 1.00 0.00 C ATOM 549 C MET A 36 -7.412 3.846 -2.599 1.00 0.00 C ATOM 550 O MET A 36 -7.409 4.643 -1.671 1.00 0.00 O ATOM 551 CB MET A 36 -8.333 5.048 -4.573 1.00 0.00 C ATOM 552 CG MET A 36 -6.918 5.138 -5.122 1.00 0.00 C ATOM 553 SD MET A 36 -6.600 6.699 -5.947 1.00 0.00 S ATOM 554 CE MET A 36 -6.773 7.770 -4.532 1.00 0.00 C ATOM 0 H MET A 36 -9.793 4.620 -2.123 1.00 0.00 H new ATOM 0 HA MET A 36 -8.546 2.948 -4.193 1.00 0.00 H new ATOM 0 HB2 MET A 36 -9.032 4.958 -5.405 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.573 5.976 -4.054 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.206 5.010 -4.306 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.751 4.320 -5.822 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.279 8.721 -4.733 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.831 7.945 -4.335 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.315 7.300 -3.662 1.00 0.00 H new ATOM 564 N VAL A 37 -6.468 2.937 -2.767 1.00 0.00 N ATOM 565 CA VAL A 37 -5.329 2.831 -1.856 1.00 0.00 C ATOM 566 C VAL A 37 -4.044 3.334 -2.486 1.00 0.00 C ATOM 567 O VAL A 37 -3.909 3.350 -3.707 1.00 0.00 O ATOM 568 CB VAL A 37 -5.107 1.390 -1.380 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.826 1.148 -0.083 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.580 0.407 -2.430 1.00 0.00 C ATOM 0 H VAL A 37 -6.463 2.257 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.579 3.460 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.039 1.242 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.658 0.121 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.448 1.834 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.894 1.314 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.415 -0.611 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.643 0.558 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.023 0.565 -3.353 1.00 0.00 H new ATOM 580 N PHE A 38 -3.108 3.709 -1.623 1.00 0.00 N ATOM 581 CA PHE A 38 -1.828 4.287 -2.015 1.00 0.00 C ATOM 582 C PHE A 38 -0.664 3.517 -1.406 1.00 0.00 C ATOM 583 O PHE A 38 -0.650 3.261 -0.203 1.00 0.00 O ATOM 584 CB PHE A 38 -1.729 5.732 -1.507 1.00 0.00 C ATOM 585 CG PHE A 38 -2.097 6.807 -2.484 1.00 0.00 C ATOM 586 CD1 PHE A 38 -1.133 7.340 -3.319 1.00 0.00 C ATOM 587 CD2 PHE A 38 -3.388 7.311 -2.544 1.00 0.00 C ATOM 588 CE1 PHE A 38 -1.441 8.352 -4.203 1.00 0.00 C ATOM 589 CE2 PHE A 38 -3.706 8.322 -3.429 1.00 0.00 C ATOM 590 CZ PHE A 38 -2.735 8.844 -4.260 1.00 0.00 C ATOM 0 H PHE A 38 -3.219 3.618 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.775 4.244 -3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.371 5.831 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.706 5.908 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.124 6.958 -3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.151 6.909 -1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.677 8.760 -4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.715 8.705 -3.471 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.983 9.634 -4.953 1.00 0.00 H new ATOM 600 N VAL A 39 0.284 3.127 -2.244 1.00 0.00 N ATOM 601 CA VAL A 39 1.607 2.740 -1.786 1.00 0.00 C ATOM 602 C VAL A 39 2.663 3.380 -2.683 1.00 0.00 C ATOM 603 O VAL A 39 2.678 3.166 -3.891 1.00 0.00 O ATOM 604 CB VAL A 39 1.788 1.208 -1.731 1.00 0.00 C ATOM 605 CG1 VAL A 39 1.061 0.648 -0.531 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.283 0.543 -2.992 1.00 0.00 C ATOM 0 H VAL A 39 0.158 3.070 -3.255 1.00 0.00 H new ATOM 0 HA VAL A 39 1.727 3.101 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 39 2.854 1.000 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.193 -0.434 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.466 1.091 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.001 0.882 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.427 -0.535 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.222 0.760 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.836 0.924 -3.851 1.00 0.00 H new ATOM 616 N ARG A 40 3.509 4.211 -2.094 1.00 0.00 N ATOM 617 CA ARG A 40 4.520 4.949 -2.851 1.00 0.00 C ATOM 618 C ARG A 40 5.581 5.491 -1.913 1.00 0.00 C ATOM 619 O ARG A 40 5.579 5.190 -0.728 1.00 0.00 O ATOM 620 CB ARG A 40 3.892 6.135 -3.596 1.00 0.00 C ATOM 621 CG ARG A 40 3.313 7.180 -2.646 1.00 0.00 C ATOM 622 CD ARG A 40 3.347 8.588 -3.225 1.00 0.00 C ATOM 623 NE ARG A 40 3.144 9.591 -2.177 1.00 0.00 N ATOM 624 CZ ARG A 40 3.578 10.848 -2.240 1.00 0.00 C ATOM 625 NH1 ARG A 40 4.175 11.305 -3.338 1.00 0.00 N ATOM 626 NH2 ARG A 40 3.402 11.648 -1.197 1.00 0.00 N ATOM 0 H ARG A 40 3.519 4.395 -1.091 1.00 0.00 H new ATOM 0 HA ARG A 40 4.962 4.259 -3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.646 6.602 -4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.104 5.770 -4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.283 6.915 -2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.872 7.163 -1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.304 8.760 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.574 8.691 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 40 2.634 9.306 -1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.304 10.690 -4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.504 12.270 -3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.938 11.298 -0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.730 12.613 -1.233 1.00 0.00 H new ATOM 640 N GLY A 41 6.498 6.271 -2.459 1.00 0.00 N ATOM 641 CA GLY A 41 7.439 6.994 -1.635 1.00 0.00 C ATOM 642 C GLY A 41 7.038 8.449 -1.504 1.00 0.00 C ATOM 643 O GLY A 41 6.330 8.969 -2.365 1.00 0.00 O ATOM 0 H GLY A 41 6.607 6.417 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.490 6.536 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.436 6.925 -2.069 1.00 0.00 H new ATOM 647 N PRO A 42 7.479 9.135 -0.448 1.00 0.00 N ATOM 648 CA PRO A 42 7.107 10.519 -0.191 1.00 0.00 C ATOM 649 C PRO A 42 7.864 11.508 -1.066 1.00 0.00 C ATOM 650 O PRO A 42 8.702 11.114 -1.881 1.00 0.00 O ATOM 651 CB PRO A 42 7.435 10.735 1.296 1.00 0.00 C ATOM 652 CG PRO A 42 8.175 9.512 1.759 1.00 0.00 C ATOM 653 CD PRO A 42 8.394 8.618 0.570 1.00 0.00 C ATOM 0 HA PRO A 42 6.057 10.693 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.043 11.629 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.523 10.878 1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.129 9.791 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.604 8.990 2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.429 8.656 0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.175 7.577 0.810 1.00 0.00 H new ATOM 661 N GLU A 43 7.513 12.780 -0.910 1.00 0.00 N ATOM 662 CA GLU A 43 8.075 13.880 -1.693 1.00 0.00 C ATOM 663 C GLU A 43 9.559 13.693 -2.003 1.00 0.00 C ATOM 664 O GLU A 43 10.366 13.460 -1.105 1.00 0.00 O ATOM 665 CB GLU A 43 7.888 15.204 -0.948 1.00 0.00 C ATOM 666 CG GLU A 43 6.447 15.694 -0.891 1.00 0.00 C ATOM 667 CD GLU A 43 5.548 14.803 -0.059 1.00 0.00 C ATOM 668 OE1 GLU A 43 5.609 14.889 1.183 1.00 0.00 O ATOM 669 OE2 GLU A 43 4.774 14.011 -0.643 1.00 0.00 O ATOM 0 H GLU A 43 6.820 13.083 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 43 7.537 13.891 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.261 15.090 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.500 15.967 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.429 16.703 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.050 15.755 -1.904 1.00 0.00 H new ATOM 676 N HIS A 44 9.875 13.751 -3.295 1.00 0.00 N ATOM 677 CA HIS A 44 11.256 13.785 -3.806 1.00 0.00 C ATOM 678 C HIS A 44 11.918 12.398 -3.807 1.00 0.00 C ATOM 679 O HIS A 44 12.876 12.170 -4.544 1.00 0.00 O ATOM 680 CB HIS A 44 12.114 14.833 -3.035 1.00 0.00 C ATOM 681 CG HIS A 44 13.224 14.264 -2.193 1.00 0.00 C ATOM 682 ND1 HIS A 44 14.496 14.044 -2.672 1.00 0.00 N ATOM 683 CD2 HIS A 44 13.240 13.869 -0.899 1.00 0.00 C ATOM 684 CE1 HIS A 44 15.243 13.537 -1.711 1.00 0.00 C ATOM 685 NE2 HIS A 44 14.506 13.418 -0.621 1.00 0.00 N ATOM 0 H HIS A 44 9.172 13.776 -4.033 1.00 0.00 H new ATOM 0 HA HIS A 44 11.202 14.099 -4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.547 15.525 -3.757 1.00 0.00 H new ATOM 0 HB3 HIS A 44 11.454 15.415 -2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 44 12.408 13.903 -0.211 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.284 13.264 -1.800 1.00 0.00 H new ATOM 0 HE2 HIS A 44 14.824 13.052 0.276 1.00 0.00 H new ATOM 694 N SER A 45 11.421 11.485 -2.991 1.00 0.00 N ATOM 695 CA SER A 45 11.971 10.139 -2.946 1.00 0.00 C ATOM 696 C SER A 45 11.137 9.193 -3.802 1.00 0.00 C ATOM 697 O SER A 45 9.962 8.954 -3.516 1.00 0.00 O ATOM 698 CB SER A 45 12.044 9.647 -1.499 1.00 0.00 C ATOM 699 OG SER A 45 10.844 9.931 -0.803 1.00 0.00 O ATOM 0 H SER A 45 10.642 11.648 -2.353 1.00 0.00 H new ATOM 0 HA SER A 45 12.982 10.159 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.230 8.573 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.884 10.122 -0.992 1.00 0.00 H new ATOM 0 HG SER A 45 10.113 10.046 -1.445 1.00 0.00 H new ATOM 705 N ASN A 46 11.737 8.683 -4.865 1.00 0.00 N ATOM 706 CA ASN A 46 11.065 7.727 -5.734 1.00 0.00 C ATOM 707 C ASN A 46 11.431 6.316 -5.330 1.00 0.00 C ATOM 708 O ASN A 46 12.610 5.971 -5.250 1.00 0.00 O ATOM 709 CB ASN A 46 11.447 7.955 -7.199 1.00 0.00 C ATOM 710 CG ASN A 46 10.457 8.831 -7.939 1.00 0.00 C ATOM 711 OD1 ASN A 46 10.263 8.681 -9.146 1.00 0.00 O ATOM 712 ND2 ASN A 46 9.826 9.745 -7.229 1.00 0.00 N ATOM 0 H ASN A 46 12.689 8.914 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 46 9.990 7.871 -5.629 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.435 8.414 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.520 6.992 -7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.148 10.361 -7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.016 9.836 -6.231 1.00 0.00 H new ATOM 719 N ILE A 47 10.429 5.484 -5.109 1.00 0.00 N ATOM 720 CA ILE A 47 10.680 4.143 -4.621 1.00 0.00 C ATOM 721 C ILE A 47 10.958 3.181 -5.753 1.00 0.00 C ATOM 722 O ILE A 47 11.549 2.143 -5.529 1.00 0.00 O ATOM 723 CB ILE A 47 9.529 3.583 -3.797 1.00 0.00 C ATOM 724 CG1 ILE A 47 8.325 3.308 -4.678 1.00 0.00 C ATOM 725 CG2 ILE A 47 9.198 4.531 -2.676 1.00 0.00 C ATOM 726 CD1 ILE A 47 7.217 2.596 -3.948 1.00 0.00 C ATOM 0 H ILE A 47 9.446 5.711 -5.258 1.00 0.00 H new ATOM 0 HA ILE A 47 11.557 4.236 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 47 9.829 2.632 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.946 4.251 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.636 2.707 -5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.374 4.126 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.072 4.657 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.909 5.497 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.383 2.427 -4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.582 1.639 -3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.883 3.207 -3.109 1.00 0.00 H new ATOM 738 N GLN A 48 10.553 3.538 -6.969 1.00 0.00 N ATOM 739 CA GLN A 48 10.741 2.674 -8.141 1.00 0.00 C ATOM 740 C GLN A 48 12.221 2.307 -8.317 1.00 0.00 C ATOM 741 O GLN A 48 12.574 1.415 -9.083 1.00 0.00 O ATOM 742 CB GLN A 48 10.202 3.390 -9.393 1.00 0.00 C ATOM 743 CG GLN A 48 10.322 2.596 -10.689 1.00 0.00 C ATOM 744 CD GLN A 48 9.224 1.564 -10.881 1.00 0.00 C ATOM 745 OE1 GLN A 48 9.457 0.494 -11.442 1.00 0.00 O ATOM 746 NE2 GLN A 48 8.010 1.893 -10.468 1.00 0.00 N ATOM 0 H GLN A 48 10.090 4.423 -7.173 1.00 0.00 H new ATOM 0 HA GLN A 48 10.188 1.747 -7.994 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.152 3.635 -9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.735 4.334 -9.512 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.308 3.288 -11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.288 2.092 -10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.854 2.789 -10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.231 1.250 -10.611 1.00 0.00 H new ATOM 755 N HIS A 49 13.071 2.990 -7.567 1.00 0.00 N ATOM 756 CA HIS A 49 14.502 2.725 -7.566 1.00 0.00 C ATOM 757 C HIS A 49 14.824 1.472 -6.750 1.00 0.00 C ATOM 758 O HIS A 49 15.643 0.655 -7.156 1.00 0.00 O ATOM 759 CB HIS A 49 15.263 3.933 -7.010 1.00 0.00 C ATOM 760 CG HIS A 49 15.508 5.005 -8.024 1.00 0.00 C ATOM 761 ND1 HIS A 49 16.062 4.761 -9.260 1.00 0.00 N ATOM 762 CD2 HIS A 49 15.256 6.332 -7.985 1.00 0.00 C ATOM 763 CE1 HIS A 49 16.137 5.889 -9.938 1.00 0.00 C ATOM 764 NE2 HIS A 49 15.653 6.861 -9.189 1.00 0.00 N ATOM 0 H HIS A 49 12.789 3.744 -6.941 1.00 0.00 H new ATOM 0 HA HIS A 49 14.819 2.551 -8.594 1.00 0.00 H new ATOM 0 HB2 HIS A 49 14.700 4.354 -6.177 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.220 3.597 -6.611 1.00 0.00 H new ATOM 0 HD2 HIS A 49 14.822 6.876 -7.159 1.00 0.00 H new ATOM 0 HE1 HIS A 49 16.529 5.999 -10.938 1.00 0.00 H new ATOM 0 HE2 HIS A 49 15.585 7.842 -9.459 1.00 0.00 H new ATOM 773 N PHE A 50 14.160 1.312 -5.610 1.00 0.00 N ATOM 774 CA PHE A 50 14.419 0.177 -4.725 1.00 0.00 C ATOM 775 C PHE A 50 13.184 -0.695 -4.557 1.00 0.00 C ATOM 776 O PHE A 50 13.227 -1.729 -3.892 1.00 0.00 O ATOM 777 CB PHE A 50 14.937 0.679 -3.365 1.00 0.00 C ATOM 778 CG PHE A 50 14.000 1.608 -2.628 1.00 0.00 C ATOM 779 CD1 PHE A 50 12.960 1.129 -1.834 1.00 0.00 C ATOM 780 CD2 PHE A 50 14.178 2.976 -2.718 1.00 0.00 C ATOM 781 CE1 PHE A 50 12.129 2.001 -1.162 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.342 3.846 -2.046 1.00 0.00 C ATOM 783 CZ PHE A 50 12.317 3.358 -1.270 1.00 0.00 C ATOM 0 H PHE A 50 13.439 1.952 -5.276 1.00 0.00 H new ATOM 0 HA PHE A 50 15.187 -0.446 -5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.143 -0.183 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.885 1.193 -3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.803 0.064 -1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.982 3.370 -3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.328 1.616 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.494 4.912 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.662 4.039 -0.747 1.00 0.00 H new ATOM 793 N VAL A 51 12.103 -0.295 -5.195 1.00 0.00 N ATOM 794 CA VAL A 51 10.869 -1.038 -5.152 1.00 0.00 C ATOM 795 C VAL A 51 10.569 -1.574 -6.536 1.00 0.00 C ATOM 796 O VAL A 51 10.527 -0.831 -7.514 1.00 0.00 O ATOM 797 CB VAL A 51 9.721 -0.170 -4.602 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.369 -0.846 -4.783 1.00 0.00 C ATOM 799 CG2 VAL A 51 9.981 0.106 -3.130 1.00 0.00 C ATOM 0 H VAL A 51 12.059 0.555 -5.757 1.00 0.00 H new ATOM 0 HA VAL A 51 10.970 -1.882 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 51 9.689 0.766 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.585 -0.204 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.189 -1.021 -5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.364 -1.798 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.176 0.720 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.026 -0.837 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.929 0.633 -3.021 1.00 0.00 H new ATOM 809 N GLU A 52 10.421 -2.881 -6.603 1.00 0.00 N ATOM 810 CA GLU A 52 10.376 -3.593 -7.868 1.00 0.00 C ATOM 811 C GLU A 52 8.949 -3.593 -8.418 1.00 0.00 C ATOM 812 O GLU A 52 8.697 -3.148 -9.538 1.00 0.00 O ATOM 813 CB GLU A 52 10.875 -5.027 -7.642 1.00 0.00 C ATOM 814 CG GLU A 52 11.275 -5.764 -8.905 1.00 0.00 C ATOM 815 CD GLU A 52 11.843 -7.138 -8.613 1.00 0.00 C ATOM 816 OE1 GLU A 52 11.056 -8.099 -8.475 1.00 0.00 O ATOM 817 OE2 GLU A 52 13.083 -7.268 -8.528 1.00 0.00 O ATOM 0 H GLU A 52 10.328 -3.481 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 52 11.017 -3.100 -8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.731 -4.997 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.092 -5.595 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.406 -5.863 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.014 -5.175 -9.448 1.00 0.00 H new ATOM 824 N LYS A 53 8.029 -4.087 -7.605 1.00 0.00 N ATOM 825 CA LYS A 53 6.618 -4.151 -7.942 1.00 0.00 C ATOM 826 C LYS A 53 5.797 -3.982 -6.669 1.00 0.00 C ATOM 827 O LYS A 53 6.356 -3.817 -5.591 1.00 0.00 O ATOM 828 CB LYS A 53 6.315 -5.495 -8.605 1.00 0.00 C ATOM 829 CG LYS A 53 6.715 -6.689 -7.750 1.00 0.00 C ATOM 830 CD LYS A 53 6.411 -8.018 -8.421 1.00 0.00 C ATOM 831 CE LYS A 53 4.924 -8.269 -8.566 1.00 0.00 C ATOM 832 NZ LYS A 53 4.657 -9.480 -9.385 1.00 0.00 N ATOM 0 H LYS A 53 8.245 -4.459 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 53 6.360 -3.354 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.249 -5.553 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.839 -5.548 -9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.781 -6.633 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.190 -6.640 -6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.877 -8.039 -9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.857 -8.825 -7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.476 -8.389 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.450 -7.403 -9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.630 -9.625 -9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.065 -9.354 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.089 -10.309 -8.930 1.00 0.00 H new ATOM 846 N VAL A 54 4.486 -4.027 -6.790 1.00 0.00 N ATOM 847 CA VAL A 54 3.602 -3.844 -5.646 1.00 0.00 C ATOM 848 C VAL A 54 2.361 -4.712 -5.791 1.00 0.00 C ATOM 849 O VAL A 54 1.964 -5.048 -6.907 1.00 0.00 O ATOM 850 CB VAL A 54 3.222 -2.358 -5.482 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.860 -2.168 -4.835 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.284 -1.666 -4.652 1.00 0.00 C ATOM 0 H VAL A 54 4.002 -4.190 -7.673 1.00 0.00 H new ATOM 0 HA VAL A 54 4.132 -4.155 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 54 3.163 -1.920 -6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.645 -1.103 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.095 -2.641 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.861 -2.623 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.023 -0.615 -4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.346 -2.140 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.248 -1.745 -5.155 1.00 0.00 H new ATOM 862 N VAL A 55 1.767 -5.088 -4.666 1.00 0.00 N ATOM 863 CA VAL A 55 0.612 -5.961 -4.681 1.00 0.00 C ATOM 864 C VAL A 55 -0.363 -5.582 -3.571 1.00 0.00 C ATOM 865 O VAL A 55 0.033 -5.095 -2.508 1.00 0.00 O ATOM 866 CB VAL A 55 1.040 -7.441 -4.554 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.563 -8.060 -3.253 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.534 -8.240 -5.738 1.00 0.00 C ATOM 0 H VAL A 55 2.069 -4.800 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 55 0.104 -5.837 -5.638 1.00 0.00 H new ATOM 0 HB VAL A 55 2.130 -7.467 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.886 -9.100 -3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.985 -7.510 -2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.525 -8.015 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.843 -9.280 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.554 -8.187 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.948 -7.828 -6.658 1.00 0.00 H new ATOM 878 N PHE A 56 -1.635 -5.804 -3.834 1.00 0.00 N ATOM 879 CA PHE A 56 -2.684 -5.575 -2.860 1.00 0.00 C ATOM 880 C PHE A 56 -3.527 -6.824 -2.737 1.00 0.00 C ATOM 881 O PHE A 56 -3.995 -7.345 -3.739 1.00 0.00 O ATOM 882 CB PHE A 56 -3.580 -4.401 -3.272 1.00 0.00 C ATOM 883 CG PHE A 56 -2.988 -3.048 -3.015 1.00 0.00 C ATOM 884 CD1 PHE A 56 -1.995 -2.542 -3.840 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.435 -2.275 -1.958 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.460 -1.293 -3.613 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.900 -1.023 -1.727 1.00 0.00 C ATOM 888 CZ PHE A 56 -1.912 -0.531 -2.557 1.00 0.00 C ATOM 0 H PHE A 56 -1.972 -6.150 -4.733 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.219 -5.332 -1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.807 -4.489 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.526 -4.477 -2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.637 -3.134 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.209 -2.654 -1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.686 -0.911 -4.262 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.254 -0.429 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.494 0.449 -2.379 1.00 0.00 H new ATOM 898 N HIS A 57 -3.696 -7.323 -1.527 1.00 0.00 N ATOM 899 CA HIS A 57 -4.581 -8.454 -1.305 1.00 0.00 C ATOM 900 C HIS A 57 -5.848 -7.954 -0.640 1.00 0.00 C ATOM 901 O HIS A 57 -5.931 -7.901 0.587 1.00 0.00 O ATOM 902 CB HIS A 57 -3.930 -9.526 -0.420 1.00 0.00 C ATOM 903 CG HIS A 57 -2.592 -10.014 -0.891 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.411 -11.245 -1.479 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.359 -9.456 -0.809 1.00 0.00 C ATOM 906 CE1 HIS A 57 -1.129 -11.430 -1.728 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.467 -10.359 -1.331 1.00 0.00 N ATOM 0 H HIS A 57 -3.237 -6.968 -0.688 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.801 -8.912 -2.269 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.819 -9.125 0.587 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.606 -10.378 -0.351 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.123 -8.482 -0.407 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.694 -12.309 -2.180 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.542 -10.225 -1.401 1.00 0.00 H new ATOM 916 N LEU A 58 -6.817 -7.548 -1.452 1.00 0.00 N ATOM 917 CA LEU A 58 -8.097 -7.071 -0.923 1.00 0.00 C ATOM 918 C LEU A 58 -8.797 -8.199 -0.161 1.00 0.00 C ATOM 919 O LEU A 58 -8.293 -9.324 -0.103 1.00 0.00 O ATOM 920 CB LEU A 58 -9.028 -6.562 -2.037 1.00 0.00 C ATOM 921 CG LEU A 58 -8.385 -5.738 -3.147 1.00 0.00 C ATOM 922 CD1 LEU A 58 -9.418 -5.427 -4.194 1.00 0.00 C ATOM 923 CD2 LEU A 58 -7.784 -4.450 -2.614 1.00 0.00 C ATOM 0 H LEU A 58 -6.746 -7.538 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.882 -6.238 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.515 -7.424 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.811 -5.959 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.575 -6.323 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.963 -4.838 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.808 -6.357 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.233 -4.861 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.335 -3.891 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.566 -3.849 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.019 -4.684 -1.874 1.00 0.00 H new ATOM 935 N HIS A 59 -9.960 -7.908 0.400 1.00 0.00 N ATOM 936 CA HIS A 59 -10.714 -8.905 1.156 1.00 0.00 C ATOM 937 C HIS A 59 -11.068 -10.076 0.239 1.00 0.00 C ATOM 938 O HIS A 59 -11.401 -9.885 -0.926 1.00 0.00 O ATOM 939 CB HIS A 59 -11.977 -8.256 1.738 1.00 0.00 C ATOM 940 CG HIS A 59 -12.555 -8.957 2.933 1.00 0.00 C ATOM 941 ND1 HIS A 59 -12.010 -8.865 4.198 1.00 0.00 N ATOM 942 CD2 HIS A 59 -13.658 -9.730 3.059 1.00 0.00 C ATOM 943 CE1 HIS A 59 -12.757 -9.549 5.047 1.00 0.00 C ATOM 944 NE2 HIS A 59 -13.761 -10.082 4.379 1.00 0.00 N ATOM 0 H HIS A 59 -10.405 -6.992 0.348 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.112 -9.285 1.981 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.745 -7.228 2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.737 -8.212 0.958 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.333 -10.017 2.266 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.576 -9.653 6.107 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.497 -10.663 4.781 1.00 0.00 H new ATOM 953 N GLU A 60 -10.972 -11.284 0.787 1.00 0.00 N ATOM 954 CA GLU A 60 -11.097 -12.526 0.014 1.00 0.00 C ATOM 955 C GLU A 60 -12.431 -12.614 -0.720 1.00 0.00 C ATOM 956 O GLU A 60 -12.557 -13.332 -1.711 1.00 0.00 O ATOM 957 CB GLU A 60 -10.949 -13.736 0.937 1.00 0.00 C ATOM 958 CG GLU A 60 -9.653 -13.762 1.737 1.00 0.00 C ATOM 959 CD GLU A 60 -8.409 -13.732 0.871 1.00 0.00 C ATOM 960 OE1 GLU A 60 -7.976 -14.806 0.394 1.00 0.00 O ATOM 961 OE2 GLU A 60 -7.841 -12.640 0.677 1.00 0.00 O ATOM 0 H GLU A 60 -10.805 -11.435 1.782 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.301 -12.522 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.790 -13.754 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.010 -14.644 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.636 -12.908 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.635 -14.659 2.355 1.00 0.00 H new ATOM 968 N SER A 61 -13.421 -11.889 -0.217 1.00 0.00 N ATOM 969 CA SER A 61 -14.741 -11.847 -0.828 1.00 0.00 C ATOM 970 C SER A 61 -14.720 -11.119 -2.175 1.00 0.00 C ATOM 971 O SER A 61 -15.673 -11.211 -2.952 1.00 0.00 O ATOM 972 CB SER A 61 -15.709 -11.152 0.111 1.00 0.00 C ATOM 973 OG SER A 61 -15.604 -11.665 1.430 1.00 0.00 O ATOM 0 H SER A 61 -13.332 -11.316 0.622 1.00 0.00 H new ATOM 0 HA SER A 61 -15.062 -12.873 -1.008 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.507 -10.081 0.118 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.728 -11.282 -0.252 1.00 0.00 H new ATOM 0 HG SER A 61 -16.238 -11.198 2.014 1.00 0.00 H new ATOM 979 N PHE A 62 -13.642 -10.391 -2.444 1.00 0.00 N ATOM 980 CA PHE A 62 -13.525 -9.620 -3.675 1.00 0.00 C ATOM 981 C PHE A 62 -13.030 -10.496 -4.823 1.00 0.00 C ATOM 982 O PHE A 62 -12.039 -11.212 -4.681 1.00 0.00 O ATOM 983 CB PHE A 62 -12.553 -8.449 -3.496 1.00 0.00 C ATOM 984 CG PHE A 62 -13.048 -7.338 -2.607 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.468 -7.593 -1.314 1.00 0.00 C ATOM 986 CD2 PHE A 62 -13.074 -6.033 -3.070 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.909 -6.567 -0.500 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.515 -5.004 -2.263 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.934 -5.271 -0.974 1.00 0.00 C ATOM 0 H PHE A 62 -12.835 -10.319 -1.824 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.518 -9.237 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.618 -8.832 -3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.324 -8.034 -4.477 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.451 -8.605 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.745 -5.818 -4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -14.234 -6.779 0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.533 -3.992 -2.639 1.00 0.00 H new ATOM 0 HZ PHE A 62 -14.280 -4.468 -0.339 1.00 0.00 H new ATOM 999 N PRO A 63 -13.726 -10.463 -5.968 1.00 0.00 N ATOM 1000 CA PRO A 63 -13.253 -11.102 -7.199 1.00 0.00 C ATOM 1001 C PRO A 63 -11.988 -10.414 -7.699 1.00 0.00 C ATOM 1002 O PRO A 63 -11.985 -9.195 -7.903 1.00 0.00 O ATOM 1003 CB PRO A 63 -14.408 -10.897 -8.189 1.00 0.00 C ATOM 1004 CG PRO A 63 -15.584 -10.540 -7.347 1.00 0.00 C ATOM 1005 CD PRO A 63 -15.030 -9.817 -6.156 1.00 0.00 C ATOM 0 HA PRO A 63 -13.000 -12.153 -7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.179 -10.105 -8.903 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.597 -11.802 -8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.282 -9.909 -7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.132 -11.432 -7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.930 -8.748 -6.341 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.669 -9.930 -5.280 1.00 0.00 H new ATOM 1013 N ARG A 64 -10.925 -11.192 -7.897 1.00 0.00 N ATOM 1014 CA ARG A 64 -9.604 -10.642 -8.207 1.00 0.00 C ATOM 1015 C ARG A 64 -9.154 -9.681 -7.107 1.00 0.00 C ATOM 1016 O ARG A 64 -9.079 -8.475 -7.331 1.00 0.00 O ATOM 1017 CB ARG A 64 -9.613 -9.903 -9.549 1.00 0.00 C ATOM 1018 CG ARG A 64 -9.795 -10.797 -10.762 1.00 0.00 C ATOM 1019 CD ARG A 64 -9.858 -9.975 -12.034 1.00 0.00 C ATOM 1020 NE ARG A 64 -8.664 -9.147 -12.213 1.00 0.00 N ATOM 1021 CZ ARG A 64 -8.664 -7.945 -12.786 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -9.781 -7.444 -13.302 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -7.537 -7.250 -12.853 1.00 0.00 N ATOM 0 H ARG A 64 -10.952 -12.210 -7.848 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.907 -11.478 -8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.413 -9.163 -9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.676 -9.357 -9.654 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.970 -11.507 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.710 -11.380 -10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.969 -10.640 -12.890 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.741 -9.337 -12.010 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.774 -9.515 -11.877 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.647 -7.981 -13.261 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.772 -6.522 -13.739 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.676 -7.637 -12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.531 -6.329 -13.291 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.863 -10.181 -5.896 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.482 -9.315 -4.793 1.00 0.00 C ATOM 1039 C PRO A 65 -7.016 -8.897 -4.831 1.00 0.00 C ATOM 1040 O PRO A 65 -6.648 -7.868 -4.271 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.781 -10.155 -3.557 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.672 -11.575 -4.004 1.00 0.00 C ATOM 1043 CD PRO A 65 -8.906 -11.601 -5.497 1.00 0.00 C ATOM 0 HA PRO A 65 -9.026 -8.371 -4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.074 -9.940 -2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.777 -9.941 -3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.688 -11.978 -3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.406 -12.196 -3.490 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.140 -12.182 -6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.867 -12.054 -5.742 1.00 0.00 H new ATOM 1051 N LYS A 66 -6.184 -9.691 -5.481 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.789 -9.354 -5.639 1.00 0.00 C ATOM 1053 C LYS A 66 -4.599 -8.435 -6.829 1.00 0.00 C ATOM 1054 O LYS A 66 -4.644 -8.862 -7.982 1.00 0.00 O ATOM 1055 CB LYS A 66 -3.935 -10.607 -5.796 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.455 -10.309 -5.986 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.633 -11.583 -5.989 1.00 0.00 C ATOM 1058 CE LYS A 66 -0.261 -11.370 -6.602 1.00 0.00 C ATOM 1059 NZ LYS A 66 0.541 -12.618 -6.604 1.00 0.00 N ATOM 0 H LYS A 66 -6.456 -10.576 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.464 -8.834 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.061 -11.237 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.296 -11.179 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.307 -9.776 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.109 -9.652 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.522 -11.946 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.163 -12.356 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.372 -11.007 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.270 -10.598 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.471 -12.432 -7.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.668 -12.950 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.047 -13.347 -7.156 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.402 -7.167 -6.533 1.00 0.00 N ATOM 1074 CA ARG A 67 -4.193 -6.167 -7.557 1.00 0.00 C ATOM 1075 C ARG A 67 -2.727 -5.779 -7.560 1.00 0.00 C ATOM 1076 O ARG A 67 -2.226 -5.237 -6.576 1.00 0.00 O ATOM 1077 CB ARG A 67 -5.061 -4.936 -7.280 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.412 -5.262 -6.660 1.00 0.00 C ATOM 1079 CD ARG A 67 -7.264 -6.142 -7.559 1.00 0.00 C ATOM 1080 NE ARG A 67 -7.658 -5.450 -8.782 1.00 0.00 N ATOM 1081 CZ ARG A 67 -8.922 -5.332 -9.188 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -9.890 -5.983 -8.552 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -9.210 -4.590 -10.246 1.00 0.00 N ATOM 0 H ARG A 67 -4.382 -6.803 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.473 -6.571 -8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.519 -4.264 -6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.221 -4.399 -8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.259 -5.764 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.946 -4.335 -6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.709 -7.045 -7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.155 -6.459 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.926 -5.034 -9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.666 -6.574 -7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.857 -5.891 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.465 -4.109 -10.750 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.177 -4.499 -10.557 1.00 0.00 H new ATOM 1097 N VAL A 68 -2.033 -6.083 -8.639 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.605 -5.843 -8.689 1.00 0.00 C ATOM 1099 C VAL A 68 -0.303 -4.556 -9.460 1.00 0.00 C ATOM 1100 O VAL A 68 -0.964 -4.238 -10.454 1.00 0.00 O ATOM 1101 CB VAL A 68 0.157 -7.043 -9.312 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.530 -8.362 -8.970 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.312 -6.888 -10.813 1.00 0.00 C ATOM 0 H VAL A 68 -2.430 -6.493 -9.485 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.255 -5.728 -7.663 1.00 0.00 H new ATOM 0 HB VAL A 68 1.157 -7.056 -8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.023 -9.187 -9.418 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.557 -8.488 -7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.548 -8.354 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.850 -7.747 -11.214 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.673 -6.828 -11.276 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.870 -5.977 -11.029 1.00 0.00 H new ATOM 1113 N CYS A 69 0.679 -3.810 -8.982 1.00 0.00 N ATOM 1114 CA CYS A 69 1.108 -2.588 -9.635 1.00 0.00 C ATOM 1115 C CYS A 69 2.612 -2.630 -9.876 1.00 0.00 C ATOM 1116 O CYS A 69 3.401 -2.643 -8.938 1.00 0.00 O ATOM 1117 CB CYS A 69 0.735 -1.364 -8.791 1.00 0.00 C ATOM 1118 SG CYS A 69 -1.044 -1.111 -8.606 1.00 0.00 S ATOM 0 H CYS A 69 1.199 -4.035 -8.133 1.00 0.00 H new ATOM 0 HA CYS A 69 0.598 -2.506 -10.595 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.181 -1.468 -7.802 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.172 -0.475 -9.246 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.305 -0.736 -7.389 1.00 0.00 H new ATOM 1124 N LYS A 70 2.996 -2.697 -11.138 1.00 0.00 N ATOM 1125 CA LYS A 70 4.405 -2.736 -11.516 1.00 0.00 C ATOM 1126 C LYS A 70 4.819 -1.375 -12.074 1.00 0.00 C ATOM 1127 O LYS A 70 5.913 -1.207 -12.616 1.00 0.00 O ATOM 1128 CB LYS A 70 4.633 -3.828 -12.574 1.00 0.00 C ATOM 1129 CG LYS A 70 3.967 -5.164 -12.249 1.00 0.00 C ATOM 1130 CD LYS A 70 3.957 -6.090 -13.456 1.00 0.00 C ATOM 1131 CE LYS A 70 3.310 -7.428 -13.128 1.00 0.00 C ATOM 1132 NZ LYS A 70 3.182 -8.297 -14.329 1.00 0.00 N ATOM 0 H LYS A 70 2.350 -2.726 -11.927 1.00 0.00 H new ATOM 0 HA LYS A 70 5.009 -2.965 -10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.258 -3.472 -13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.705 -3.988 -12.690 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.495 -5.644 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.944 -4.990 -11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.418 -5.615 -14.276 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.979 -6.253 -13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.903 -7.941 -12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.323 -7.257 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.737 -9.197 -14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.594 -7.819 -15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.125 -8.482 -14.726 1.00 0.00 H new ATOM 1146 N ASP A 71 3.923 -0.410 -11.932 1.00 0.00 N ATOM 1147 CA ASP A 71 4.096 0.921 -12.501 1.00 0.00 C ATOM 1148 C ASP A 71 4.387 1.943 -11.400 1.00 0.00 C ATOM 1149 O ASP A 71 4.412 1.583 -10.229 1.00 0.00 O ATOM 1150 CB ASP A 71 2.816 1.320 -13.256 1.00 0.00 C ATOM 1151 CG ASP A 71 2.537 0.434 -14.452 1.00 0.00 C ATOM 1152 OD1 ASP A 71 3.098 0.693 -15.538 1.00 0.00 O ATOM 1153 OD2 ASP A 71 1.753 -0.529 -14.311 1.00 0.00 O ATOM 0 H ASP A 71 3.051 -0.527 -11.417 1.00 0.00 H new ATOM 0 HA ASP A 71 4.941 0.905 -13.189 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.968 1.276 -12.572 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.904 2.354 -13.589 1.00 0.00 H new ATOM 1158 N PRO A 72 4.696 3.207 -11.766 1.00 0.00 N ATOM 1159 CA PRO A 72 4.643 4.373 -10.844 1.00 0.00 C ATOM 1160 C PRO A 72 3.372 4.396 -9.942 1.00 0.00 C ATOM 1161 O PRO A 72 2.603 3.437 -9.972 1.00 0.00 O ATOM 1162 CB PRO A 72 4.677 5.531 -11.841 1.00 0.00 C ATOM 1163 CG PRO A 72 5.585 5.044 -12.908 1.00 0.00 C ATOM 1164 CD PRO A 72 5.236 3.597 -13.090 1.00 0.00 C ATOM 0 HA PRO A 72 5.447 4.385 -10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.684 5.754 -12.230 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.052 6.445 -11.381 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.442 5.603 -13.833 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.630 5.164 -12.621 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.500 3.457 -13.882 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.110 3.003 -13.359 1.00 0.00 H new ATOM 1172 N PRO A 73 3.082 5.517 -9.191 1.00 0.00 N ATOM 1173 CA PRO A 73 2.175 5.534 -8.031 1.00 0.00 C ATOM 1174 C PRO A 73 1.205 4.368 -7.961 1.00 0.00 C ATOM 1175 O PRO A 73 0.220 4.293 -8.703 1.00 0.00 O ATOM 1176 CB PRO A 73 1.431 6.837 -8.258 1.00 0.00 C ATOM 1177 CG PRO A 73 2.459 7.756 -8.853 1.00 0.00 C ATOM 1178 CD PRO A 73 3.563 6.888 -9.422 1.00 0.00 C ATOM 0 HA PRO A 73 2.717 5.450 -7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.585 6.699 -8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.034 7.236 -7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.016 8.375 -9.633 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.854 8.433 -8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.720 7.084 -10.483 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.514 7.069 -8.920 1.00 0.00 H new ATOM 1186 N TYR A 74 1.476 3.503 -7.002 1.00 0.00 N ATOM 1187 CA TYR A 74 0.808 2.227 -6.878 1.00 0.00 C ATOM 1188 C TYR A 74 -0.496 2.411 -6.127 1.00 0.00 C ATOM 1189 O TYR A 74 -0.518 2.994 -5.040 1.00 0.00 O ATOM 1190 CB TYR A 74 1.716 1.246 -6.135 1.00 0.00 C ATOM 1191 CG TYR A 74 3.155 1.225 -6.622 1.00 0.00 C ATOM 1192 CD1 TYR A 74 4.016 2.277 -6.343 1.00 0.00 C ATOM 1193 CD2 TYR A 74 3.658 0.149 -7.335 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.324 2.261 -6.761 1.00 0.00 C ATOM 1195 CE2 TYR A 74 4.976 0.120 -7.752 1.00 0.00 C ATOM 1196 CZ TYR A 74 5.804 1.181 -7.462 1.00 0.00 C ATOM 1197 OH TYR A 74 7.118 1.157 -7.863 1.00 0.00 O ATOM 0 H TYR A 74 2.176 3.672 -6.279 1.00 0.00 H new ATOM 0 HA TYR A 74 0.592 1.826 -7.868 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.709 1.496 -5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.300 0.243 -6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.650 3.126 -5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.009 -0.682 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.974 3.095 -6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.354 -0.730 -8.302 1.00 0.00 H new ATOM 0 HH TYR A 74 7.297 0.324 -8.346 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.574 1.920 -6.703 1.00 0.00 N ATOM 1208 CA LYS A 75 -2.899 2.182 -6.176 1.00 0.00 C ATOM 1209 C LYS A 75 -3.883 1.106 -6.584 1.00 0.00 C ATOM 1210 O LYS A 75 -3.716 0.442 -7.608 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.392 3.540 -6.682 1.00 0.00 C ATOM 1212 CG LYS A 75 -3.138 3.758 -8.167 1.00 0.00 C ATOM 1213 CD LYS A 75 -3.965 4.906 -8.719 1.00 0.00 C ATOM 1214 CE LYS A 75 -3.332 6.243 -8.414 1.00 0.00 C ATOM 1215 NZ LYS A 75 -2.042 6.416 -9.135 1.00 0.00 N ATOM 0 H LYS A 75 -1.559 1.335 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.833 2.187 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.461 3.626 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.900 4.331 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.080 3.962 -8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.373 2.845 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.074 4.792 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.967 4.871 -8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.017 7.043 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.164 6.330 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.712 7.396 -9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.333 5.766 -8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.178 6.207 -10.145 1.00 0.00 H new ATOM 1229 N VAL A 76 -4.898 0.943 -5.762 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.024 0.074 -6.085 1.00 0.00 C ATOM 1231 C VAL A 76 -7.319 0.857 -5.973 1.00 0.00 C ATOM 1232 O VAL A 76 -7.584 1.479 -4.948 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.106 -1.174 -5.179 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.484 -1.803 -5.276 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.053 -2.191 -5.569 1.00 0.00 C ATOM 0 H VAL A 76 -4.972 1.403 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.868 -0.277 -7.105 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.925 -0.860 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.529 -2.682 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.237 -1.082 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.678 -2.098 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.129 -3.062 -4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.208 -2.497 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.063 -1.747 -5.467 1.00 0.00 H new ATOM 1245 N GLU A 77 -8.106 0.836 -7.033 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.387 1.517 -7.048 1.00 0.00 C ATOM 1247 C GLU A 77 -10.496 0.508 -7.204 1.00 0.00 C ATOM 1248 O GLU A 77 -10.658 -0.102 -8.259 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.437 2.540 -8.173 1.00 0.00 C ATOM 1250 CG GLU A 77 -8.379 3.599 -8.033 1.00 0.00 C ATOM 1251 CD GLU A 77 -8.078 4.313 -9.332 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -7.282 3.782 -10.139 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -8.636 5.407 -9.553 1.00 0.00 O ATOM 0 H GLU A 77 -7.878 0.351 -7.901 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.517 2.046 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.313 2.031 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.420 3.012 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.700 4.329 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.464 3.142 -7.656 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.249 0.337 -6.146 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.288 -0.675 -6.112 1.00 0.00 C ATOM 1262 C GLU A 78 -13.527 -0.167 -5.405 1.00 0.00 C ATOM 1263 O GLU A 78 -13.567 0.971 -4.934 1.00 0.00 O ATOM 1264 CB GLU A 78 -11.792 -1.953 -5.426 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.375 -3.050 -6.395 1.00 0.00 C ATOM 1266 CD GLU A 78 -12.387 -3.263 -7.505 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -13.603 -3.200 -7.227 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -11.976 -3.494 -8.662 1.00 0.00 O ATOM 0 H GLU A 78 -11.165 0.886 -5.290 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.545 -0.906 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.945 -1.705 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.580 -2.335 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.410 -2.796 -6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.241 -3.982 -5.847 1.00 0.00 H new ATOM 1275 N SER A 79 -14.529 -1.024 -5.334 1.00 0.00 N ATOM 1276 CA SER A 79 -15.800 -0.665 -4.738 1.00 0.00 C ATOM 1277 C SER A 79 -16.336 -1.827 -3.904 1.00 0.00 C ATOM 1278 O SER A 79 -16.032 -2.992 -4.172 1.00 0.00 O ATOM 1279 CB SER A 79 -16.792 -0.257 -5.835 1.00 0.00 C ATOM 1280 OG SER A 79 -18.008 0.233 -5.290 1.00 0.00 O ATOM 0 H SER A 79 -14.485 -1.981 -5.685 1.00 0.00 H new ATOM 0 HA SER A 79 -15.662 0.187 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.341 0.509 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.000 -1.115 -6.475 1.00 0.00 H new ATOM 0 HG SER A 79 -17.851 0.558 -4.379 1.00 0.00 H new ATOM 1286 N GLY A 80 -17.122 -1.493 -2.894 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.630 -2.474 -1.959 1.00 0.00 C ATOM 1288 C GLY A 80 -18.667 -1.858 -1.045 1.00 0.00 C ATOM 1289 O GLY A 80 -19.349 -0.920 -1.441 1.00 0.00 O ATOM 0 H GLY A 80 -17.423 -0.537 -2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.069 -3.309 -2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.809 -2.877 -1.366 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.803 -2.365 0.172 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.772 -1.797 1.107 1.00 0.00 C ATOM 1295 C TYR A 81 -19.330 -1.944 2.562 1.00 0.00 C ATOM 1296 O TYR A 81 -20.154 -1.857 3.474 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.160 -2.426 0.894 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.166 -3.942 0.886 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.293 -4.669 2.063 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -21.044 -4.644 -0.305 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.296 -6.050 2.051 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -21.048 -6.024 -0.324 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.173 -6.721 0.854 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.168 -8.099 0.837 1.00 0.00 O ATOM 0 H TYR A 81 -18.267 -3.154 0.533 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.832 -0.729 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.829 -2.076 1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.566 -2.068 -0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.391 -4.146 3.003 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -20.944 -4.101 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.394 -6.601 2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -20.953 -6.554 -1.260 1.00 0.00 H new ATOM 0 HH TYR A 81 -21.075 -8.414 -0.086 1.00 0.00 H new ATOM 1314 N ALA A 82 -18.032 -2.142 2.783 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.504 -2.283 4.138 1.00 0.00 C ATOM 1316 C ALA A 82 -15.994 -2.072 4.170 1.00 0.00 C ATOM 1317 O ALA A 82 -15.329 -2.133 3.136 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.846 -3.654 4.693 1.00 0.00 C ATOM 0 H ALA A 82 -17.330 -2.208 2.046 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.967 -1.516 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.447 -3.747 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -18.929 -3.777 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.408 -4.423 4.057 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.463 -1.827 5.367 1.00 0.00 N ATOM 1325 CA GLY A 83 -14.032 -1.636 5.530 1.00 0.00 C ATOM 1326 C GLY A 83 -13.367 -2.847 6.158 1.00 0.00 C ATOM 1327 O GLY A 83 -14.049 -3.711 6.712 1.00 0.00 O ATOM 0 H GLY A 83 -16.002 -1.757 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.580 -1.436 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.851 -0.759 6.152 1.00 0.00 H new ATOM 1331 N PHE A 84 -12.040 -2.898 6.093 1.00 0.00 N ATOM 1332 CA PHE A 84 -11.280 -4.069 6.534 1.00 0.00 C ATOM 1333 C PHE A 84 -9.776 -3.795 6.464 1.00 0.00 C ATOM 1334 O PHE A 84 -9.339 -2.919 5.721 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.632 -5.287 5.657 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.465 -5.052 4.172 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -12.468 -4.438 3.435 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -10.310 -5.444 3.518 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -12.318 -4.217 2.080 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -10.152 -5.229 2.164 1.00 0.00 C ATOM 1341 CZ PHE A 84 -11.155 -4.613 1.441 1.00 0.00 C ATOM 0 H PHE A 84 -11.462 -2.137 5.737 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.546 -4.282 7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.004 -6.127 5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.664 -5.576 5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -13.378 -4.129 3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.520 -5.925 4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.106 -3.736 1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.244 -5.542 1.670 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.033 -4.441 0.382 1.00 0.00 H new ATOM 1351 N ILE A 85 -8.999 -4.514 7.271 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.542 -4.489 7.153 1.00 0.00 C ATOM 1353 C ILE A 85 -7.132 -4.998 5.782 1.00 0.00 C ATOM 1354 O ILE A 85 -7.583 -6.062 5.350 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.855 -5.362 8.238 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -6.880 -4.657 9.594 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.417 -5.711 7.852 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -6.043 -3.398 9.641 1.00 0.00 C ATOM 0 H ILE A 85 -9.352 -5.120 8.012 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.221 -3.457 7.292 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.418 -6.292 8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.911 -4.407 9.844 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.525 -5.347 10.359 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.968 -6.322 8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.417 -6.265 6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.840 -4.794 7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.110 -2.953 10.634 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.004 -3.644 9.423 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.411 -2.688 8.900 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.294 -4.241 5.096 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.832 -4.644 3.788 1.00 0.00 C ATOM 1372 C LEU A 86 -4.324 -4.848 3.812 1.00 0.00 C ATOM 1373 O LEU A 86 -3.554 -3.890 3.894 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.227 -3.605 2.738 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.442 -4.172 1.333 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.480 -3.363 0.581 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.155 -4.179 0.549 1.00 0.00 C ATOM 0 H LEU A 86 -5.924 -3.349 5.424 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.305 -5.589 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.144 -3.111 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.452 -2.840 2.693 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.795 -5.197 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.617 -3.783 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.426 -3.393 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.144 -2.330 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.337 -4.587 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.778 -3.160 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.418 -4.795 1.065 1.00 0.00 H new ATOM 1389 N PRO A 87 -3.897 -6.114 3.799 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.486 -6.479 3.687 1.00 0.00 C ATOM 1391 C PRO A 87 -1.878 -6.018 2.361 1.00 0.00 C ATOM 1392 O PRO A 87 -2.108 -6.630 1.310 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.500 -8.012 3.758 1.00 0.00 C ATOM 1394 CG PRO A 87 -3.898 -8.401 3.416 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.761 -7.293 3.940 1.00 0.00 C ATOM 0 HA PRO A 87 -1.883 -6.011 4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.787 -8.446 3.057 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.224 -8.364 4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.021 -8.518 2.339 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.163 -9.355 3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.682 -7.191 3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.050 -7.461 4.977 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.118 -4.936 2.408 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.495 -4.395 1.216 1.00 0.00 C ATOM 1405 C ILE A 88 0.971 -4.789 1.157 1.00 0.00 C ATOM 1406 O ILE A 88 1.645 -4.850 2.183 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.610 -2.857 1.167 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.054 -2.434 1.455 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.175 -2.367 -0.201 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.204 -0.990 1.878 1.00 0.00 C ATOM 0 H ILE A 88 -0.919 -4.415 3.262 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.021 -4.811 0.357 1.00 0.00 H new ATOM 0 HB ILE A 88 0.036 -2.415 1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.655 -2.604 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.459 -3.074 2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.255 -1.281 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.859 -2.662 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.816 -2.806 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.256 -0.772 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.632 -0.817 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.832 -0.339 1.087 1.00 0.00 H new ATOM 1422 N GLU A 89 1.463 -5.058 -0.038 1.00 0.00 N ATOM 1423 CA GLU A 89 2.851 -5.437 -0.209 1.00 0.00 C ATOM 1424 C GLU A 89 3.566 -4.510 -1.170 1.00 0.00 C ATOM 1425 O GLU A 89 3.074 -4.214 -2.261 1.00 0.00 O ATOM 1426 CB GLU A 89 2.979 -6.869 -0.710 1.00 0.00 C ATOM 1427 CG GLU A 89 2.630 -7.922 0.323 1.00 0.00 C ATOM 1428 CD GLU A 89 2.965 -9.317 -0.162 1.00 0.00 C ATOM 1429 OE1 GLU A 89 4.155 -9.695 -0.133 1.00 0.00 O ATOM 1430 OE2 GLU A 89 2.040 -10.049 -0.577 1.00 0.00 O ATOM 0 H GLU A 89 0.923 -5.021 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 89 3.318 -5.359 0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.331 -6.998 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.002 -7.033 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.171 -7.718 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.567 -7.864 0.557 1.00 0.00 H new ATOM 1437 N VAL A 90 4.733 -4.062 -0.754 1.00 0.00 N ATOM 1438 CA VAL A 90 5.589 -3.249 -1.591 1.00 0.00 C ATOM 1439 C VAL A 90 6.884 -4.014 -1.827 1.00 0.00 C ATOM 1440 O VAL A 90 7.692 -4.178 -0.911 1.00 0.00 O ATOM 1441 CB VAL A 90 5.878 -1.876 -0.942 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.504 -0.909 -1.934 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.599 -1.290 -0.375 1.00 0.00 C ATOM 0 H VAL A 90 5.114 -4.251 0.173 1.00 0.00 H new ATOM 0 HA VAL A 90 5.088 -3.051 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 90 6.593 -2.031 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.693 0.045 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.444 -1.321 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.824 -0.757 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.812 -0.323 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.871 -1.161 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.193 -1.964 0.379 1.00 0.00 H new ATOM 1453 N TYR A 91 7.051 -4.529 -3.036 1.00 0.00 N ATOM 1454 CA TYR A 91 8.185 -5.397 -3.345 1.00 0.00 C ATOM 1455 C TYR A 91 9.470 -4.606 -3.441 1.00 0.00 C ATOM 1456 O TYR A 91 9.529 -3.558 -4.069 1.00 0.00 O ATOM 1457 CB TYR A 91 7.977 -6.148 -4.656 1.00 0.00 C ATOM 1458 CG TYR A 91 7.230 -7.456 -4.527 1.00 0.00 C ATOM 1459 CD1 TYR A 91 6.053 -7.550 -3.801 1.00 0.00 C ATOM 1460 CD2 TYR A 91 7.708 -8.599 -5.153 1.00 0.00 C ATOM 1461 CE1 TYR A 91 5.373 -8.746 -3.704 1.00 0.00 C ATOM 1462 CE2 TYR A 91 7.032 -9.799 -5.062 1.00 0.00 C ATOM 1463 CZ TYR A 91 5.865 -9.866 -4.337 1.00 0.00 C ATOM 1464 OH TYR A 91 5.183 -11.055 -4.244 1.00 0.00 O ATOM 0 H TYR A 91 6.419 -4.363 -3.819 1.00 0.00 H new ATOM 0 HA TYR A 91 8.257 -6.115 -2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.434 -5.502 -5.346 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.951 -6.345 -5.104 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.663 -6.674 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.625 -8.548 -5.721 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.458 -8.804 -3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.417 -10.679 -5.556 1.00 0.00 H new ATOM 0 HH TYR A 91 5.661 -11.747 -4.747 1.00 0.00 H new ATOM 1474 N PHE A 92 10.501 -5.148 -2.846 1.00 0.00 N ATOM 1475 CA PHE A 92 11.807 -4.530 -2.839 1.00 0.00 C ATOM 1476 C PHE A 92 12.705 -5.220 -3.855 1.00 0.00 C ATOM 1477 O PHE A 92 12.548 -6.411 -4.115 1.00 0.00 O ATOM 1478 CB PHE A 92 12.407 -4.637 -1.439 1.00 0.00 C ATOM 1479 CG PHE A 92 11.663 -3.831 -0.419 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.088 -2.623 -0.769 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.561 -4.262 0.893 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.429 -1.859 0.163 1.00 0.00 C ATOM 1483 CE2 PHE A 92 10.891 -3.499 1.830 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.329 -2.297 1.461 1.00 0.00 C ATOM 0 H PHE A 92 10.460 -6.037 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 92 11.719 -3.478 -3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.415 -5.683 -1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.445 -4.306 -1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.158 -2.276 -1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.008 -5.201 1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.990 -0.915 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.808 -3.845 2.850 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.809 -1.698 2.194 1.00 0.00 H new ATOM 1494 N LYS A 93 13.634 -4.486 -4.441 1.00 0.00 N ATOM 1495 CA LYS A 93 14.497 -5.065 -5.450 1.00 0.00 C ATOM 1496 C LYS A 93 15.928 -5.242 -4.916 1.00 0.00 C ATOM 1497 O LYS A 93 16.765 -4.338 -4.985 1.00 0.00 O ATOM 1498 CB LYS A 93 14.425 -4.232 -6.744 1.00 0.00 C ATOM 1499 CG LYS A 93 15.090 -2.874 -6.720 1.00 0.00 C ATOM 1500 CD LYS A 93 15.350 -2.380 -8.135 1.00 0.00 C ATOM 1501 CE LYS A 93 14.049 -2.347 -8.972 1.00 0.00 C ATOM 1502 NZ LYS A 93 13.159 -1.230 -8.566 1.00 0.00 N ATOM 0 H LYS A 93 13.808 -3.502 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 93 14.147 -6.067 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.873 -4.815 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.375 -4.091 -6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.456 -2.162 -6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.030 -2.933 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.786 -1.382 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.079 -3.029 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.299 -2.247 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.520 -3.293 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.175 -1.464 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.235 -1.081 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.442 -0.362 -9.064 1.00 0.00 H new ATOM 1516 N ASN A 94 16.200 -6.431 -4.376 1.00 0.00 N ATOM 1517 CA ASN A 94 17.481 -6.717 -3.746 1.00 0.00 C ATOM 1518 C ASN A 94 17.782 -8.214 -3.799 1.00 0.00 C ATOM 1519 O ASN A 94 16.865 -9.032 -3.793 1.00 0.00 O ATOM 1520 CB ASN A 94 17.451 -6.249 -2.302 1.00 0.00 C ATOM 1521 CG ASN A 94 18.817 -6.247 -1.646 1.00 0.00 C ATOM 1522 OD1 ASN A 94 18.935 -6.478 -0.447 1.00 0.00 O ATOM 1523 ND2 ASN A 94 19.858 -5.960 -2.420 1.00 0.00 N ATOM 0 H ASN A 94 15.544 -7.212 -4.365 1.00 0.00 H new ATOM 0 HA ASN A 94 18.265 -6.187 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 94 17.034 -5.243 -2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.782 -6.894 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.796 -5.926 -2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.719 -5.774 -3.413 1.00 0.00 H new ATOM 1530 N LYS A 95 19.064 -8.570 -3.869 1.00 0.00 N ATOM 1531 CA LYS A 95 19.472 -9.975 -3.912 1.00 0.00 C ATOM 1532 C LYS A 95 19.751 -10.501 -2.506 1.00 0.00 C ATOM 1533 O LYS A 95 19.988 -11.695 -2.307 1.00 0.00 O ATOM 1534 CB LYS A 95 20.722 -10.146 -4.773 1.00 0.00 C ATOM 1535 CG LYS A 95 20.556 -9.678 -6.208 1.00 0.00 C ATOM 1536 CD LYS A 95 21.816 -9.955 -7.015 1.00 0.00 C ATOM 1537 CE LYS A 95 21.664 -9.567 -8.479 1.00 0.00 C ATOM 1538 NZ LYS A 95 21.358 -8.121 -8.648 1.00 0.00 N ATOM 0 H LYS A 95 19.838 -7.906 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 95 18.653 -10.546 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 95 21.543 -9.595 -4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 95 21.007 -11.198 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.707 -10.186 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 95 20.335 -8.611 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 95 22.651 -9.405 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 95 22.063 -11.015 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 95 22.583 -9.807 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 95 20.868 -10.160 -8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 21.397 -7.874 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 20.406 -7.922 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 22.057 -7.555 -8.126 1.00 0.00 H new ATOM 1552 N GLU A 96 19.729 -9.594 -1.541 1.00 0.00 N ATOM 1553 CA GLU A 96 19.983 -9.922 -0.146 1.00 0.00 C ATOM 1554 C GLU A 96 18.632 -10.002 0.588 1.00 0.00 C ATOM 1555 O GLU A 96 17.655 -10.464 -0.003 1.00 0.00 O ATOM 1556 CB GLU A 96 20.947 -8.886 0.504 1.00 0.00 C ATOM 1557 CG GLU A 96 21.606 -7.928 -0.482 1.00 0.00 C ATOM 1558 CD GLU A 96 22.619 -8.602 -1.385 1.00 0.00 C ATOM 1559 OE1 GLU A 96 23.532 -9.277 -0.865 1.00 0.00 O ATOM 1560 OE2 GLU A 96 22.510 -8.452 -2.618 1.00 0.00 O ATOM 0 H GLU A 96 19.534 -8.606 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 96 20.482 -10.888 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 96 20.392 -8.304 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.726 -9.423 1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 96 20.835 -7.462 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 96 22.098 -7.129 0.072 1.00 0.00 H new ATOM 1567 N GLU A 97 18.614 -9.663 1.886 1.00 0.00 N ATOM 1568 CA GLU A 97 17.421 -9.718 2.756 1.00 0.00 C ATOM 1569 C GLU A 97 16.070 -9.380 2.069 1.00 0.00 C ATOM 1570 O GLU A 97 16.037 -8.787 0.991 1.00 0.00 O ATOM 1571 CB GLU A 97 17.641 -8.800 3.962 1.00 0.00 C ATOM 1572 CG GLU A 97 18.171 -7.417 3.626 1.00 0.00 C ATOM 1573 CD GLU A 97 18.414 -6.595 4.872 1.00 0.00 C ATOM 1574 OE1 GLU A 97 17.467 -5.939 5.348 1.00 0.00 O ATOM 1575 OE2 GLU A 97 19.546 -6.626 5.397 1.00 0.00 O ATOM 0 H GLU A 97 19.447 -9.335 2.375 1.00 0.00 H new ATOM 0 HA GLU A 97 17.322 -10.762 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.696 -8.691 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 97 18.338 -9.284 4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.100 -7.510 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 97 17.459 -6.901 2.982 1.00 0.00 H new ATOM 1582 N PRO A 98 14.938 -9.703 2.754 1.00 0.00 N ATOM 1583 CA PRO A 98 13.571 -9.747 2.190 1.00 0.00 C ATOM 1584 C PRO A 98 13.267 -8.729 1.083 1.00 0.00 C ATOM 1585 O PRO A 98 13.481 -7.525 1.236 1.00 0.00 O ATOM 1586 CB PRO A 98 12.674 -9.483 3.422 1.00 0.00 C ATOM 1587 CG PRO A 98 13.616 -9.272 4.561 1.00 0.00 C ATOM 1588 CD PRO A 98 14.862 -10.006 4.183 1.00 0.00 C ATOM 0 HA PRO A 98 13.410 -10.700 1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.042 -8.608 3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.010 -10.326 3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.816 -8.212 4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 98 13.200 -9.657 5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.735 -9.646 4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.785 -11.076 4.375 1.00 0.00 H new ATOM 1596 N ARG A 99 12.723 -9.242 -0.023 1.00 0.00 N ATOM 1597 CA ARG A 99 12.355 -8.419 -1.172 1.00 0.00 C ATOM 1598 C ARG A 99 10.914 -7.958 -1.076 1.00 0.00 C ATOM 1599 O ARG A 99 10.284 -7.641 -2.081 1.00 0.00 O ATOM 1600 CB ARG A 99 12.500 -9.195 -2.466 1.00 0.00 C ATOM 1601 CG ARG A 99 13.764 -9.999 -2.555 1.00 0.00 C ATOM 1602 CD ARG A 99 14.059 -10.372 -3.996 1.00 0.00 C ATOM 1603 NE ARG A 99 12.830 -10.536 -4.782 1.00 0.00 N ATOM 1604 CZ ARG A 99 12.539 -9.814 -5.871 1.00 0.00 C ATOM 1605 NH1 ARG A 99 13.437 -8.990 -6.391 1.00 0.00 N ATOM 1606 NH2 ARG A 99 11.361 -9.942 -6.465 1.00 0.00 N ATOM 0 H ARG A 99 12.527 -10.236 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 99 13.026 -7.560 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.647 -9.865 -2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.465 -8.497 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 99 14.595 -9.426 -2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.670 -10.902 -1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.680 -9.600 -4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.632 -11.299 -4.021 1.00 0.00 H new ATOM 0 HE ARG A 99 12.158 -11.242 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.358 -8.902 -5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.207 -8.443 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.670 -10.593 -6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.145 -9.389 -7.294 1.00 0.00 H new ATOM 1620 N LYS A 100 10.372 -7.986 0.113 1.00 0.00 N ATOM 1621 CA LYS A 100 9.000 -7.535 0.312 1.00 0.00 C ATOM 1622 C LYS A 100 8.779 -6.975 1.702 1.00 0.00 C ATOM 1623 O LYS A 100 9.355 -7.453 2.681 1.00 0.00 O ATOM 1624 CB LYS A 100 8.001 -8.670 0.077 1.00 0.00 C ATOM 1625 CG LYS A 100 8.225 -9.870 0.986 1.00 0.00 C ATOM 1626 CD LYS A 100 6.989 -10.759 1.105 1.00 0.00 C ATOM 1627 CE LYS A 100 6.795 -11.679 -0.094 1.00 0.00 C ATOM 1628 NZ LYS A 100 6.290 -10.957 -1.286 1.00 0.00 N ATOM 0 H LYS A 100 10.845 -8.311 0.956 1.00 0.00 H new ATOM 0 HA LYS A 100 8.834 -6.743 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.990 -8.292 0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.067 -8.993 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.057 -10.461 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.513 -9.521 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.069 -11.363 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.106 -10.130 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.743 -12.158 -0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.096 -12.472 0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.770 -11.618 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.654 -10.191 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.091 -10.554 -1.813 1.00 0.00 H new ATOM 1642 N VAL A 101 7.942 -5.958 1.768 1.00 0.00 N ATOM 1643 CA VAL A 101 7.439 -5.448 3.025 1.00 0.00 C ATOM 1644 C VAL A 101 5.919 -5.546 3.014 1.00 0.00 C ATOM 1645 O VAL A 101 5.290 -5.362 1.969 1.00 0.00 O ATOM 1646 CB VAL A 101 7.882 -3.988 3.264 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.284 -3.053 2.220 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.525 -3.536 4.670 1.00 0.00 C ATOM 0 H VAL A 101 7.592 -5.462 0.948 1.00 0.00 H new ATOM 0 HA VAL A 101 7.849 -6.045 3.840 1.00 0.00 H new ATOM 0 HB VAL A 101 8.967 -3.947 3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.614 -2.032 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.614 -3.358 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.196 -3.099 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.847 -2.505 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.446 -3.602 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.025 -4.177 5.396 1.00 0.00 H new ATOM 1658 N ARG A 102 5.330 -5.858 4.154 1.00 0.00 N ATOM 1659 CA ARG A 102 3.894 -6.040 4.226 1.00 0.00 C ATOM 1660 C ARG A 102 3.290 -5.004 5.162 1.00 0.00 C ATOM 1661 O ARG A 102 3.547 -5.020 6.364 1.00 0.00 O ATOM 1662 CB ARG A 102 3.554 -7.449 4.717 1.00 0.00 C ATOM 1663 CG ARG A 102 2.154 -7.904 4.315 1.00 0.00 C ATOM 1664 CD ARG A 102 1.635 -9.024 5.194 1.00 0.00 C ATOM 1665 NE ARG A 102 1.403 -8.584 6.570 1.00 0.00 N ATOM 1666 CZ ARG A 102 1.384 -9.399 7.623 1.00 0.00 C ATOM 1667 NH1 ARG A 102 1.608 -10.699 7.469 1.00 0.00 N ATOM 1668 NH2 ARG A 102 1.125 -8.908 8.828 1.00 0.00 N ATOM 0 H ARG A 102 5.822 -5.990 5.038 1.00 0.00 H new ATOM 0 HA ARG A 102 3.476 -5.912 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.286 -8.152 4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.641 -7.479 5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.470 -7.057 4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.167 -8.237 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.705 -9.410 4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.351 -9.846 5.193 1.00 0.00 H new ATOM 0 HE ARG A 102 1.246 -7.589 6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.796 -11.078 6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.592 -11.319 8.279 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.942 -7.911 8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.109 -9.527 9.638 1.00 0.00 H new ATOM 1682 N PHE A 103 2.508 -4.096 4.607 1.00 0.00 N ATOM 1683 CA PHE A 103 1.857 -3.072 5.398 1.00 0.00 C ATOM 1684 C PHE A 103 0.380 -3.398 5.574 1.00 0.00 C ATOM 1685 O PHE A 103 -0.398 -3.321 4.624 1.00 0.00 O ATOM 1686 CB PHE A 103 2.025 -1.702 4.737 1.00 0.00 C ATOM 1687 CG PHE A 103 3.453 -1.240 4.635 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.324 -1.371 5.705 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.915 -0.651 3.470 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.628 -0.923 5.613 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.216 -0.205 3.372 1.00 0.00 C ATOM 1692 CZ PHE A 103 6.075 -0.340 4.445 1.00 0.00 C ATOM 0 H PHE A 103 2.309 -4.048 3.608 1.00 0.00 H new ATOM 0 HA PHE A 103 2.326 -3.043 6.382 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.594 -1.738 3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.456 -0.965 5.303 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.980 -1.828 6.621 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.248 -0.540 2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.297 -1.029 6.454 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.563 0.250 2.456 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.094 0.010 4.370 1.00 0.00 H new ATOM 1702 N ASP A 104 0.001 -3.791 6.783 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.396 -4.073 7.089 1.00 0.00 C ATOM 1704 C ASP A 104 -2.136 -2.763 7.290 1.00 0.00 C ATOM 1705 O ASP A 104 -2.247 -2.269 8.415 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.532 -4.935 8.350 1.00 0.00 C ATOM 1707 CG ASP A 104 -0.780 -6.248 8.260 1.00 0.00 C ATOM 1708 OD1 ASP A 104 0.423 -6.282 8.613 1.00 0.00 O ATOM 1709 OD2 ASP A 104 -1.389 -7.256 7.856 1.00 0.00 O ATOM 0 H ASP A 104 0.640 -3.922 7.567 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.825 -4.627 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.165 -4.372 9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.587 -5.140 8.530 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.621 -2.191 6.202 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.247 -0.887 6.265 1.00 0.00 C ATOM 1716 C TYR A 105 -4.736 -1.019 6.544 1.00 0.00 C ATOM 1717 O TYR A 105 -5.436 -1.806 5.908 1.00 0.00 O ATOM 1718 CB TYR A 105 -3.003 -0.108 4.973 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.577 1.284 5.006 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -3.064 2.243 5.864 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.634 1.632 4.191 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.589 3.516 5.906 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.169 2.900 4.220 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.641 3.843 5.081 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.166 5.116 5.119 1.00 0.00 O ATOM 0 H TYR A 105 -2.593 -2.607 5.271 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.796 -0.331 7.087 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.930 -0.048 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.440 -0.655 4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.238 1.988 6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.049 0.896 3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.178 4.252 6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.996 3.156 3.574 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.657 5.661 5.755 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.207 -0.255 7.516 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.605 -0.293 7.914 1.00 0.00 C ATOM 1737 C ASP A 106 -7.467 0.511 6.945 1.00 0.00 C ATOM 1738 O ASP A 106 -7.428 1.743 6.935 1.00 0.00 O ATOM 1739 CB ASP A 106 -6.762 0.252 9.336 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.180 0.128 9.858 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -8.551 -0.970 10.325 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -8.924 1.129 9.819 1.00 0.00 O ATOM 0 H ASP A 106 -4.637 0.403 8.047 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.940 -1.330 7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.086 -0.284 10.002 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.463 1.300 9.354 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.220 -0.190 6.112 1.00 0.00 N ATOM 1748 CA LEU A 107 -9.137 0.451 5.185 1.00 0.00 C ATOM 1749 C LEU A 107 -10.462 0.746 5.875 1.00 0.00 C ATOM 1750 O LEU A 107 -11.221 -0.176 6.180 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.411 -0.461 3.989 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.798 -0.043 2.656 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.293 -0.210 2.671 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.415 -0.853 1.536 1.00 0.00 C ATOM 0 H LEU A 107 -8.213 -1.209 6.060 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.677 1.379 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.049 -1.460 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.491 -0.537 3.859 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.010 1.013 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.883 0.095 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.866 0.409 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.045 -1.255 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.976 -0.553 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.224 -1.913 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.491 -0.678 1.510 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.747 2.012 6.128 1.00 0.00 N ATOM 1767 CA PHE A 108 -12.047 2.379 6.674 1.00 0.00 C ATOM 1768 C PHE A 108 -12.791 3.266 5.688 1.00 0.00 C ATOM 1769 O PHE A 108 -12.178 3.985 4.897 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.929 3.070 8.045 1.00 0.00 C ATOM 1771 CG PHE A 108 -11.458 4.502 8.001 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -12.363 5.535 7.791 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -10.123 4.819 8.185 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -11.943 6.848 7.761 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -9.701 6.135 8.158 1.00 0.00 C ATOM 1776 CZ PHE A 108 -10.610 7.148 7.945 1.00 0.00 C ATOM 0 H PHE A 108 -10.110 2.792 5.968 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.612 1.460 6.830 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.902 3.039 8.535 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.241 2.496 8.666 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.409 5.307 7.649 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.404 4.030 8.351 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -12.657 7.640 7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.657 6.369 8.304 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.279 8.176 7.922 1.00 0.00 H new ATOM 1786 N LEU A 109 -14.108 3.208 5.727 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.939 3.995 4.830 1.00 0.00 C ATOM 1788 C LEU A 109 -15.910 4.835 5.661 1.00 0.00 C ATOM 1789 O LEU A 109 -16.234 4.471 6.793 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.703 3.067 3.878 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.845 2.013 3.156 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.693 1.165 2.225 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.722 2.672 2.373 1.00 0.00 C ATOM 0 H LEU A 109 -14.631 2.619 6.375 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.315 4.658 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.480 2.553 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.206 3.678 3.128 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.410 1.366 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -15.062 0.429 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.464 0.653 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.163 1.804 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.130 1.906 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -14.145 3.348 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.085 3.235 3.055 1.00 0.00 H new ATOM 1805 N HIS A 110 -16.351 5.964 5.115 1.00 0.00 N ATOM 1806 CA HIS A 110 -17.274 6.843 5.833 1.00 0.00 C ATOM 1807 C HIS A 110 -18.720 6.523 5.491 1.00 0.00 C ATOM 1808 O HIS A 110 -18.993 5.740 4.583 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.982 8.317 5.536 1.00 0.00 C ATOM 1810 CG HIS A 110 -15.916 8.897 6.410 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -15.337 10.129 6.186 1.00 0.00 N ATOM 1812 CD2 HIS A 110 -15.328 8.406 7.526 1.00 0.00 C ATOM 1813 CE1 HIS A 110 -14.439 10.364 7.127 1.00 0.00 C ATOM 1814 NE2 HIS A 110 -14.417 9.334 7.949 1.00 0.00 N ATOM 0 H HIS A 110 -16.088 6.292 4.186 1.00 0.00 H new ATOM 0 HA HIS A 110 -17.122 6.666 6.898 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -16.682 8.418 4.493 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -17.898 8.894 5.661 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -15.539 7.457 7.996 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -13.827 11.250 7.208 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -13.817 9.244 8.769 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.638 7.139 6.223 1.00 0.00 N ATOM 1824 CA LEU A 111 -21.060 6.897 6.032 1.00 0.00 C ATOM 1825 C LEU A 111 -21.568 7.569 4.762 1.00 0.00 C ATOM 1826 O LEU A 111 -20.944 8.497 4.234 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.854 7.387 7.242 1.00 0.00 C ATOM 1828 CG LEU A 111 -22.435 6.275 8.117 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -23.517 5.518 7.366 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -21.342 5.319 8.556 1.00 0.00 C ATOM 0 H LEU A 111 -19.421 7.813 6.957 1.00 0.00 H new ATOM 0 HA LEU A 111 -21.204 5.822 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -21.206 8.013 7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.670 8.020 6.892 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.877 6.732 9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -23.919 4.731 8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.317 6.205 7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -23.092 5.074 6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -21.773 4.534 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -20.876 4.872 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -20.591 5.863 9.128 1.00 0.00 H new ATOM 1910 N VAL A 117 -12.863 10.338 2.347 1.00 0.00 N ATOM 1911 CA VAL A 117 -11.713 10.017 3.167 1.00 0.00 C ATOM 1912 C VAL A 117 -10.448 10.213 2.355 1.00 0.00 C ATOM 1913 O VAL A 117 -10.410 9.839 1.190 1.00 0.00 O ATOM 1914 CB VAL A 117 -11.763 8.555 3.640 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -10.629 8.253 4.587 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.074 8.220 4.293 1.00 0.00 C ATOM 0 HA VAL A 117 -11.722 10.674 4.037 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.659 7.933 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.689 7.212 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.678 8.424 4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.699 8.904 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.066 7.178 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.224 8.864 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.885 8.375 3.582 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.440 10.824 2.945 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.159 10.980 2.274 1.00 0.00 C ATOM 1928 C ASN A 118 -7.027 10.909 3.291 1.00 0.00 C ATOM 1929 O ASN A 118 -6.774 11.875 4.011 1.00 0.00 O ATOM 1930 CB ASN A 118 -8.126 12.309 1.520 1.00 0.00 C ATOM 1931 CG ASN A 118 -6.974 12.401 0.525 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -7.187 12.351 -0.684 1.00 0.00 O ATOM 1933 ND2 ASN A 118 -5.748 12.510 1.015 1.00 0.00 N ATOM 0 H ASN A 118 -9.480 11.220 3.884 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.028 10.171 1.555 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -9.069 12.443 0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -8.045 13.126 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.948 12.555 0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.604 12.549 2.024 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.355 9.766 3.362 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.307 9.562 4.355 1.00 0.00 C ATOM 1942 C HIS A 119 -4.019 9.042 3.722 1.00 0.00 C ATOM 1943 O HIS A 119 -4.059 8.300 2.741 1.00 0.00 O ATOM 1944 CB HIS A 119 -5.789 8.570 5.410 1.00 0.00 C ATOM 1945 CG HIS A 119 -4.865 8.436 6.582 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -4.123 7.300 6.822 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -4.569 9.297 7.584 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -3.407 7.470 7.918 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -3.660 8.672 8.398 1.00 0.00 N ATOM 0 H HIS A 119 -6.516 8.969 2.746 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.091 10.527 4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -6.770 8.882 5.767 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -5.915 7.592 4.945 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.973 10.290 7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -2.729 6.748 8.348 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.246 9.072 9.240 1.00 0.00 H new ATOM 1958 N LEU A 120 -2.892 9.443 4.304 1.00 0.00 N ATOM 1959 CA LEU A 120 -1.570 8.967 3.913 1.00 0.00 C ATOM 1960 C LEU A 120 -0.641 8.942 5.123 1.00 0.00 C ATOM 1961 O LEU A 120 -0.846 9.681 6.084 1.00 0.00 O ATOM 1962 CB LEU A 120 -0.988 9.852 2.806 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.415 9.486 1.387 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.079 10.606 0.425 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -0.712 8.217 0.949 1.00 0.00 C ATOM 0 H LEU A 120 -2.872 10.116 5.070 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.664 7.952 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.277 10.885 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.100 9.809 2.863 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.493 9.327 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.391 10.327 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.600 11.514 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.004 10.784 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.021 7.961 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.367 8.372 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.975 7.403 1.625 1.00 0.00 H new ATOM 1977 N ARG A 121 0.354 8.064 5.084 1.00 0.00 N ATOM 1978 CA ARG A 121 1.331 7.955 6.171 1.00 0.00 C ATOM 1979 C ARG A 121 2.625 7.322 5.668 1.00 0.00 C ATOM 1980 O ARG A 121 2.603 6.279 5.012 1.00 0.00 O ATOM 1981 CB ARG A 121 0.746 7.153 7.368 1.00 0.00 C ATOM 1982 CG ARG A 121 1.544 5.905 7.772 1.00 0.00 C ATOM 1983 CD ARG A 121 1.030 4.627 7.111 1.00 0.00 C ATOM 1984 NE ARG A 121 -0.303 4.276 7.593 1.00 0.00 N ATOM 1985 CZ ARG A 121 -0.613 3.066 8.059 1.00 0.00 C ATOM 1986 NH1 ARG A 121 0.297 2.098 8.039 1.00 0.00 N ATOM 1987 NH2 ARG A 121 -1.820 2.827 8.554 1.00 0.00 N ATOM 0 H ARG A 121 0.509 7.415 4.313 1.00 0.00 H new ATOM 0 HA ARG A 121 1.560 8.960 6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.678 7.816 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.271 6.849 7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.591 6.049 7.507 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.503 5.789 8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.004 4.760 6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.719 3.808 7.315 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.031 4.990 7.572 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.229 2.282 7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.063 1.171 8.395 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.517 3.571 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.051 1.899 8.909 1.00 0.00 H new ATOM 2001 N CYS A 122 3.748 7.969 5.955 1.00 0.00 N ATOM 2002 CA CYS A 122 5.051 7.423 5.596 1.00 0.00 C ATOM 2003 C CYS A 122 5.524 6.394 6.625 1.00 0.00 C ATOM 2004 O CYS A 122 5.549 6.664 7.828 1.00 0.00 O ATOM 2005 CB CYS A 122 6.087 8.536 5.481 1.00 0.00 C ATOM 2006 SG CYS A 122 5.576 9.936 4.456 1.00 0.00 S ATOM 0 H CYS A 122 3.783 8.869 6.434 1.00 0.00 H new ATOM 0 HA CYS A 122 4.943 6.929 4.631 1.00 0.00 H new ATOM 0 HB2 CYS A 122 6.322 8.901 6.481 1.00 0.00 H new ATOM 0 HB3 CYS A 122 7.006 8.118 5.070 1.00 0.00 H new ATOM 0 HG CYS A 122 4.488 9.629 3.814 1.00 0.00 H new ATOM 2012 N GLU A 123 5.887 5.216 6.140 1.00 0.00 N ATOM 2013 CA GLU A 123 6.484 4.173 6.964 1.00 0.00 C ATOM 2014 C GLU A 123 7.995 4.220 6.809 1.00 0.00 C ATOM 2015 O GLU A 123 8.499 4.786 5.845 1.00 0.00 O ATOM 2016 CB GLU A 123 5.955 2.800 6.541 1.00 0.00 C ATOM 2017 CG GLU A 123 4.479 2.614 6.822 1.00 0.00 C ATOM 2018 CD GLU A 123 4.185 2.313 8.276 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.725 1.316 8.810 1.00 0.00 O ATOM 2020 OE2 GLU A 123 3.414 3.072 8.896 1.00 0.00 O ATOM 0 H GLU A 123 5.776 4.955 5.160 1.00 0.00 H new ATOM 0 HA GLU A 123 6.219 4.339 8.008 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.135 2.662 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.517 2.025 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.943 3.516 6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.097 1.801 6.204 1.00 0.00 H new ATOM 2027 N LYS A 124 8.711 3.622 7.739 1.00 0.00 N ATOM 2028 CA LYS A 124 10.159 3.721 7.759 1.00 0.00 C ATOM 2029 C LYS A 124 10.803 2.341 7.802 1.00 0.00 C ATOM 2030 O LYS A 124 10.502 1.534 8.683 1.00 0.00 O ATOM 2031 CB LYS A 124 10.599 4.538 8.971 1.00 0.00 C ATOM 2032 CG LYS A 124 12.107 4.708 9.086 1.00 0.00 C ATOM 2033 CD LYS A 124 12.511 5.180 10.457 1.00 0.00 C ATOM 2034 CE LYS A 124 12.300 4.078 11.469 1.00 0.00 C ATOM 2035 NZ LYS A 124 13.035 4.327 12.735 1.00 0.00 N ATOM 0 H LYS A 124 8.315 3.061 8.493 1.00 0.00 H new ATOM 0 HA LYS A 124 10.483 4.217 6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.135 5.523 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.228 4.057 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.598 3.759 8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.451 5.423 8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 124 13.558 5.484 10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.926 6.057 10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.235 3.983 11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.626 3.129 11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.860 3.545 13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.054 4.392 12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.707 5.219 13.157 1.00 0.00 H new ATOM 2049 N LEU A 125 11.675 2.072 6.843 1.00 0.00 N ATOM 2050 CA LEU A 125 12.416 0.820 6.813 1.00 0.00 C ATOM 2051 C LEU A 125 13.914 1.106 6.887 1.00 0.00 C ATOM 2052 O LEU A 125 14.495 1.627 5.935 1.00 0.00 O ATOM 2053 CB LEU A 125 12.102 0.069 5.521 1.00 0.00 C ATOM 2054 CG LEU A 125 10.614 -0.038 5.179 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.400 0.027 3.675 1.00 0.00 C ATOM 2056 CD2 LEU A 125 10.038 -1.330 5.737 1.00 0.00 C ATOM 0 H LEU A 125 11.888 2.706 6.073 1.00 0.00 H new ATOM 0 HA LEU A 125 12.123 0.209 7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.614 0.565 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.516 -0.937 5.594 1.00 0.00 H new ATOM 0 HG LEU A 125 10.096 0.805 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.335 -0.051 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.781 0.975 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.930 -0.796 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 125 8.979 -1.394 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.565 -2.180 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.156 -1.343 6.820 1.00 0.00 H new ATOM 2068 N THR A 126 14.533 0.785 8.014 1.00 0.00 N ATOM 2069 CA THR A 126 15.953 1.057 8.199 1.00 0.00 C ATOM 2070 C THR A 126 16.781 -0.195 7.946 1.00 0.00 C ATOM 2071 O THR A 126 16.610 -1.211 8.620 1.00 0.00 O ATOM 2072 CB THR A 126 16.250 1.557 9.622 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.132 2.307 10.120 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.480 2.444 9.631 1.00 0.00 C ATOM 0 H THR A 126 14.078 0.338 8.810 1.00 0.00 H new ATOM 0 HA THR A 126 16.222 1.832 7.482 1.00 0.00 H new ATOM 0 HB THR A 126 16.429 0.689 10.257 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.327 2.621 11.028 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.673 2.788 10.647 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.339 1.879 9.269 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.313 3.304 8.983 1.00 0.00 H new ATOM 2082 N PHE A 127 17.674 -0.124 6.972 1.00 0.00 N ATOM 2083 CA PHE A 127 18.553 -1.239 6.662 1.00 0.00 C ATOM 2084 C PHE A 127 19.965 -0.925 7.124 1.00 0.00 C ATOM 2085 O PHE A 127 20.656 -0.098 6.525 1.00 0.00 O ATOM 2086 CB PHE A 127 18.526 -1.527 5.161 1.00 0.00 C ATOM 2087 CG PHE A 127 17.139 -1.780 4.649 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.570 -3.048 4.700 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.391 -0.735 4.138 1.00 0.00 C ATOM 2090 CE1 PHE A 127 15.283 -3.253 4.253 1.00 0.00 C ATOM 2091 CE2 PHE A 127 15.110 -0.940 3.686 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.552 -2.198 3.744 1.00 0.00 C ATOM 0 H PHE A 127 17.809 0.697 6.381 1.00 0.00 H new ATOM 0 HA PHE A 127 18.205 -2.128 7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 127 18.959 -0.683 4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 127 19.152 -2.394 4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.140 -3.877 5.092 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.820 0.255 4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.846 -4.239 4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.540 -0.115 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.544 -2.359 3.392 1.00 0.00 H new ATOM 2102 N ASN A 128 20.376 -1.566 8.207 1.00 0.00 N ATOM 2103 CA ASN A 128 21.690 -1.326 8.784 1.00 0.00 C ATOM 2104 C ASN A 128 22.778 -1.976 7.946 1.00 0.00 C ATOM 2105 O ASN A 128 22.811 -3.197 7.795 1.00 0.00 O ATOM 2106 CB ASN A 128 21.767 -1.850 10.217 1.00 0.00 C ATOM 2107 CG ASN A 128 20.878 -1.084 11.176 1.00 0.00 C ATOM 2108 OD1 ASN A 128 21.298 -0.091 11.773 1.00 0.00 O ATOM 2109 ND2 ASN A 128 19.647 -1.544 11.341 1.00 0.00 N ATOM 0 H ASN A 128 19.817 -2.258 8.705 1.00 0.00 H new ATOM 0 HA ASN A 128 21.847 -0.247 8.796 1.00 0.00 H new ATOM 0 HB2 ASN A 128 21.483 -2.902 10.229 1.00 0.00 H new ATOM 0 HB3 ASN A 128 22.799 -1.794 10.563 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.008 -1.073 11.981 1.00 0.00 H new ATOM 0 HD22 ASN A 128 19.338 -2.369 10.828 1.00 0.00 H new ATOM 2116 N ASN A 129 23.660 -1.139 7.414 1.00 0.00 N ATOM 2117 CA ASN A 129 24.814 -1.577 6.629 1.00 0.00 C ATOM 2118 C ASN A 129 24.398 -2.470 5.464 1.00 0.00 C ATOM 2119 O ASN A 129 24.640 -3.678 5.477 1.00 0.00 O ATOM 2120 CB ASN A 129 25.839 -2.298 7.511 1.00 0.00 C ATOM 2121 CG ASN A 129 26.241 -1.477 8.721 1.00 0.00 C ATOM 2122 OD1 ASN A 129 27.109 -0.607 8.642 1.00 0.00 O ATOM 2123 ND2 ASN A 129 25.630 -1.764 9.857 1.00 0.00 N ATOM 0 H ASN A 129 23.596 -0.126 7.515 1.00 0.00 H new ATOM 0 HA ASN A 129 25.279 -0.682 6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.423 -3.249 7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 129 26.726 -2.527 6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 129 25.873 -1.258 10.709 1.00 0.00 H new ATOM 0 HD22 ASN A 129 24.916 -2.492 9.882 1.00 0.00 H new ATOM 2130 N PRO A 130 23.766 -1.883 4.438 1.00 0.00 N ATOM 2131 CA PRO A 130 23.376 -2.614 3.241 1.00 0.00 C ATOM 2132 C PRO A 130 24.528 -2.702 2.245 1.00 0.00 C ATOM 2133 O PRO A 130 25.443 -1.870 2.265 1.00 0.00 O ATOM 2134 CB PRO A 130 22.237 -1.762 2.685 1.00 0.00 C ATOM 2135 CG PRO A 130 22.564 -0.365 3.097 1.00 0.00 C ATOM 2136 CD PRO A 130 23.387 -0.459 4.360 1.00 0.00 C ATOM 0 HA PRO A 130 23.090 -3.647 3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.172 -1.849 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.275 -2.078 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 130 23.119 0.149 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.654 0.209 3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.265 0.185 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 130 22.813 -0.151 5.234 1.00 0.00 H new ATOM 2144 N THR A 131 24.487 -3.710 1.384 1.00 0.00 N ATOM 2145 CA THR A 131 25.526 -3.891 0.378 1.00 0.00 C ATOM 2146 C THR A 131 25.481 -2.747 -0.636 1.00 0.00 C ATOM 2147 O THR A 131 24.442 -2.098 -0.775 1.00 0.00 O ATOM 2148 CB THR A 131 25.404 -5.254 -0.356 1.00 0.00 C ATOM 2149 OG1 THR A 131 26.485 -5.418 -1.283 1.00 0.00 O ATOM 2150 CG2 THR A 131 24.081 -5.365 -1.099 1.00 0.00 C ATOM 0 H THR A 131 23.748 -4.413 1.361 1.00 0.00 H new ATOM 0 HA THR A 131 26.484 -3.885 0.898 1.00 0.00 H new ATOM 0 HB THR A 131 25.446 -6.040 0.398 1.00 0.00 H new ATOM 0 HG1 THR A 131 26.398 -6.282 -1.738 1.00 0.00 H new ATOM 0 HG21 THR A 131 24.026 -6.330 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.257 -5.278 -0.390 1.00 0.00 H new ATOM 0 HG23 THR A 131 24.010 -4.566 -1.837 1.00 0.00 H new ATOM 2158 N GLU A 132 26.594 -2.507 -1.334 1.00 0.00 N ATOM 2159 CA GLU A 132 26.712 -1.373 -2.268 1.00 0.00 C ATOM 2160 C GLU A 132 25.500 -1.298 -3.198 1.00 0.00 C ATOM 2161 O GLU A 132 24.947 -0.226 -3.423 1.00 0.00 O ATOM 2162 CB GLU A 132 27.975 -1.507 -3.119 1.00 0.00 C ATOM 2163 CG GLU A 132 28.340 -0.248 -3.882 1.00 0.00 C ATOM 2164 CD GLU A 132 28.745 0.891 -2.974 1.00 0.00 C ATOM 2165 OE1 GLU A 132 29.641 0.691 -2.128 1.00 0.00 O ATOM 2166 OE2 GLU A 132 28.193 1.999 -3.115 1.00 0.00 O ATOM 0 H GLU A 132 27.433 -3.084 -1.273 1.00 0.00 H new ATOM 0 HA GLU A 132 26.764 -0.463 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.809 -1.783 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.838 -2.323 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 132 29.158 -0.469 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.490 0.062 -4.490 1.00 0.00 H new ATOM 2173 N ASP A 133 25.083 -2.455 -3.710 1.00 0.00 N ATOM 2174 CA ASP A 133 23.986 -2.531 -4.676 1.00 0.00 C ATOM 2175 C ASP A 133 22.682 -2.006 -4.087 1.00 0.00 C ATOM 2176 O ASP A 133 22.047 -1.117 -4.659 1.00 0.00 O ATOM 2177 CB ASP A 133 23.798 -3.971 -5.159 1.00 0.00 C ATOM 2178 CG ASP A 133 25.014 -4.506 -5.885 1.00 0.00 C ATOM 2179 OD1 ASP A 133 25.157 -4.242 -7.095 1.00 0.00 O ATOM 2180 OD2 ASP A 133 25.838 -5.194 -5.250 1.00 0.00 O ATOM 0 H ASP A 133 25.491 -3.359 -3.470 1.00 0.00 H new ATOM 0 HA ASP A 133 24.252 -1.899 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.579 -4.611 -4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 133 22.934 -4.018 -5.822 1.00 0.00 H new ATOM 2185 N PHE A 134 22.286 -2.551 -2.940 1.00 0.00 N ATOM 2186 CA PHE A 134 21.060 -2.116 -2.277 1.00 0.00 C ATOM 2187 C PHE A 134 21.204 -0.659 -1.868 1.00 0.00 C ATOM 2188 O PHE A 134 20.332 0.167 -2.130 1.00 0.00 O ATOM 2189 CB PHE A 134 20.766 -2.971 -1.040 1.00 0.00 C ATOM 2190 CG PHE A 134 19.331 -2.873 -0.585 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.296 -2.871 -1.511 1.00 0.00 C ATOM 2192 CD2 PHE A 134 19.014 -2.790 0.763 1.00 0.00 C ATOM 2193 CE1 PHE A 134 16.984 -2.787 -1.102 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.698 -2.705 1.174 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.682 -2.704 0.239 1.00 0.00 C ATOM 0 H PHE A 134 22.793 -3.290 -2.453 1.00 0.00 H new ATOM 0 HA PHE A 134 20.229 -2.231 -2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 134 21.002 -4.012 -1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.422 -2.661 -0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.523 -2.936 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 134 19.805 -2.792 1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.190 -2.786 -1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.464 -2.639 2.226 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.653 -2.638 0.559 1.00 0.00 H new ATOM 2205 N ARG A 135 22.337 -0.376 -1.239 1.00 0.00 N ATOM 2206 CA ARG A 135 22.727 0.972 -0.849 1.00 0.00 C ATOM 2207 C ARG A 135 22.527 1.967 -1.988 1.00 0.00 C ATOM 2208 O ARG A 135 21.868 2.986 -1.809 1.00 0.00 O ATOM 2209 CB ARG A 135 24.173 0.927 -0.383 1.00 0.00 C ATOM 2210 CG ARG A 135 24.886 2.269 -0.408 1.00 0.00 C ATOM 2211 CD ARG A 135 25.311 2.686 0.989 1.00 0.00 C ATOM 2212 NE ARG A 135 25.905 1.575 1.734 1.00 0.00 N ATOM 2213 CZ ARG A 135 26.418 1.690 2.957 1.00 0.00 C ATOM 2214 NH1 ARG A 135 26.400 2.862 3.580 1.00 0.00 N ATOM 2215 NH2 ARG A 135 26.953 0.634 3.557 1.00 0.00 N ATOM 0 H ARG A 135 23.021 -1.087 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 135 22.091 1.320 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 135 24.202 0.534 0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.722 0.226 -1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 135 25.761 2.208 -1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 135 24.228 3.027 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 135 26.030 3.503 0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 135 24.446 3.067 1.533 1.00 0.00 H new ATOM 0 HE ARG A 135 25.927 0.657 1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 135 25.992 3.677 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 135 26.794 2.948 4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 135 26.972 -0.268 3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 135 27.346 0.724 4.494 1.00 0.00 H new ATOM 2229 N ARG A 136 23.046 1.633 -3.159 1.00 0.00 N ATOM 2230 CA ARG A 136 22.958 2.479 -4.327 1.00 0.00 C ATOM 2231 C ARG A 136 21.524 2.861 -4.649 1.00 0.00 C ATOM 2232 O ARG A 136 21.208 4.039 -4.832 1.00 0.00 O ATOM 2233 CB ARG A 136 23.549 1.741 -5.494 1.00 0.00 C ATOM 2234 CG ARG A 136 24.927 2.215 -5.898 1.00 0.00 C ATOM 2235 CD ARG A 136 25.544 1.273 -6.914 1.00 0.00 C ATOM 2236 NE ARG A 136 24.857 1.341 -8.204 1.00 0.00 N ATOM 2237 CZ ARG A 136 24.804 0.340 -9.082 1.00 0.00 C ATOM 2238 NH1 ARG A 136 25.419 -0.809 -8.826 1.00 0.00 N ATOM 2239 NH2 ARG A 136 24.136 0.495 -10.220 1.00 0.00 N ATOM 0 H ARG A 136 23.544 0.758 -3.321 1.00 0.00 H new ATOM 0 HA ARG A 136 23.505 3.400 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 136 23.600 0.680 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 136 22.879 1.840 -6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 136 24.863 3.219 -6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 136 25.567 2.278 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 136 26.596 1.522 -7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 136 25.504 0.252 -6.534 1.00 0.00 H new ATOM 0 HE ARG A 136 24.387 2.213 -8.448 1.00 0.00 H new ATOM 0 HH11 ARG A 136 25.935 -0.928 -7.954 1.00 0.00 H new ATOM 0 HH12 ARG A 136 25.375 -1.572 -9.501 1.00 0.00 H new ATOM 0 HH21 ARG A 136 23.666 1.378 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 136 24.093 -0.269 -10.894 1.00 0.00 H new ATOM 2253 N LYS A 137 20.660 1.861 -4.714 1.00 0.00 N ATOM 2254 CA LYS A 137 19.274 2.083 -5.091 1.00 0.00 C ATOM 2255 C LYS A 137 18.568 2.946 -4.051 1.00 0.00 C ATOM 2256 O LYS A 137 17.870 3.910 -4.384 1.00 0.00 O ATOM 2257 CB LYS A 137 18.544 0.749 -5.247 1.00 0.00 C ATOM 2258 CG LYS A 137 19.155 -0.149 -6.313 1.00 0.00 C ATOM 2259 CD LYS A 137 18.470 -1.503 -6.378 1.00 0.00 C ATOM 2260 CE LYS A 137 19.228 -2.457 -7.288 1.00 0.00 C ATOM 2261 NZ LYS A 137 18.671 -3.836 -7.250 1.00 0.00 N ATOM 0 H LYS A 137 20.894 0.889 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 137 19.259 2.606 -6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.552 0.224 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.501 0.941 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 137 19.083 0.341 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.216 -0.289 -6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 137 18.402 -1.928 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 137 17.450 -1.381 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 137 19.195 -2.083 -8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 137 20.276 -2.483 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 19.448 -4.522 -7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 18.029 -3.929 -6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 18.147 -4.023 -8.129 1.00 0.00 H new ATOM 2275 N LEU A 138 18.771 2.584 -2.792 1.00 0.00 N ATOM 2276 CA LEU A 138 18.203 3.319 -1.662 1.00 0.00 C ATOM 2277 C LEU A 138 18.609 4.797 -1.691 1.00 0.00 C ATOM 2278 O LEU A 138 17.815 5.671 -1.350 1.00 0.00 O ATOM 2279 CB LEU A 138 18.649 2.700 -0.339 1.00 0.00 C ATOM 2280 CG LEU A 138 18.400 1.198 -0.176 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.639 0.778 1.262 1.00 0.00 C ATOM 2282 CD2 LEU A 138 16.997 0.823 -0.617 1.00 0.00 C ATOM 0 H LEU A 138 19.332 1.776 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 138 17.118 3.254 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.716 2.885 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 138 18.140 3.221 0.472 1.00 0.00 H new ATOM 0 HG LEU A 138 19.103 0.666 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.458 -0.292 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.670 1.000 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 138 17.961 1.324 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.850 -0.249 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.269 1.363 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.863 1.085 -1.666 1.00 0.00 H new ATOM 2294 N LEU A 139 19.849 5.067 -2.092 1.00 0.00 N ATOM 2295 CA LEU A 139 20.366 6.435 -2.151 1.00 0.00 C ATOM 2296 C LEU A 139 19.729 7.208 -3.301 1.00 0.00 C ATOM 2297 O LEU A 139 19.485 8.413 -3.204 1.00 0.00 O ATOM 2298 CB LEU A 139 21.886 6.416 -2.332 1.00 0.00 C ATOM 2299 CG LEU A 139 22.652 5.621 -1.279 1.00 0.00 C ATOM 2300 CD1 LEU A 139 24.103 5.436 -1.689 1.00 0.00 C ATOM 2301 CD2 LEU A 139 22.558 6.311 0.066 1.00 0.00 C ATOM 0 H LEU A 139 20.518 4.354 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 139 20.116 6.931 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 139 22.114 6.003 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 139 22.250 7.443 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 139 22.200 4.633 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 139 24.628 4.866 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 139 24.148 4.897 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 139 24.576 6.411 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 139 23.108 5.735 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 139 22.986 7.311 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 139 21.512 6.385 0.365 1.00 0.00 H new ATOM 2313 N LYS A 140 19.460 6.498 -4.385 1.00 0.00 N ATOM 2314 CA LYS A 140 18.895 7.093 -5.587 1.00 0.00 C ATOM 2315 C LYS A 140 17.441 7.486 -5.393 1.00 0.00 C ATOM 2316 O LYS A 140 16.915 8.315 -6.133 1.00 0.00 O ATOM 2317 CB LYS A 140 18.999 6.118 -6.743 1.00 0.00 C ATOM 2318 CG LYS A 140 19.889 6.606 -7.866 1.00 0.00 C ATOM 2319 CD LYS A 140 20.452 5.447 -8.664 1.00 0.00 C ATOM 2320 CE LYS A 140 21.532 4.721 -7.892 1.00 0.00 C ATOM 2321 NZ LYS A 140 22.712 5.589 -7.634 1.00 0.00 N ATOM 0 H LYS A 140 19.627 5.494 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 140 19.465 7.996 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.383 5.167 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 140 18.001 5.927 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.320 7.262 -8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 140 20.706 7.198 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.651 4.752 -8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 140 20.860 5.815 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 140 21.126 4.370 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 140 21.846 3.839 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 23.543 4.996 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 22.899 6.179 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 22.521 6.200 -6.815 1.00 0.00 H new ATOM 2335 N ALA A 141 16.800 6.852 -4.425 1.00 0.00 N ATOM 2336 CA ALA A 141 15.405 7.120 -4.097 1.00 0.00 C ATOM 2337 C ALA A 141 15.124 8.612 -3.936 1.00 0.00 C ATOM 2338 O ALA A 141 14.493 9.201 -4.843 1.00 0.00 O ATOM 2339 CB ALA A 141 15.028 6.382 -2.832 1.00 0.00 C ATOM 2340 OXT ALA A 141 15.540 9.190 -2.908 1.00 0.00 O ATOM 0 H ALA A 141 17.231 6.135 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 141 14.797 6.765 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.985 6.585 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 141 15.165 5.311 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.663 6.718 -2.012 1.00 0.00 H new ATOM 2385 N ALA B 215 -18.281 3.362 8.789 1.00 0.00 N ATOM 2386 CA ALA B 215 -19.185 2.479 8.068 1.00 0.00 C ATOM 2387 C ALA B 215 -19.005 1.043 8.553 1.00 0.00 C ATOM 2388 O ALA B 215 -17.971 0.713 9.139 1.00 0.00 O ATOM 2389 CB ALA B 215 -18.926 2.579 6.569 1.00 0.00 C ATOM 0 HA ALA B 215 -20.214 2.783 8.260 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -19.607 1.915 6.037 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -19.089 3.605 6.239 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -17.897 2.289 6.357 1.00 0.00 H new ATOM 2395 N PRO B 216 -20.008 0.173 8.331 1.00 0.00 N ATOM 2396 CA PRO B 216 -19.926 -1.236 8.726 1.00 0.00 C ATOM 2397 C PRO B 216 -18.740 -1.938 8.065 1.00 0.00 C ATOM 2398 O PRO B 216 -18.300 -1.549 6.982 1.00 0.00 O ATOM 2399 CB PRO B 216 -21.257 -1.838 8.256 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.830 -0.852 7.295 1.00 0.00 C ATOM 2401 CD PRO B 216 -21.289 0.494 7.683 1.00 0.00 C ATOM 0 HA PRO B 216 -19.769 -1.353 9.798 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -21.102 -2.805 7.778 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -21.931 -2.002 9.097 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -21.550 -1.101 6.272 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.919 -0.858 7.338 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -21.150 1.137 6.814 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -21.963 1.017 8.362 1.00 0.00 H new ATOM 2409 N ARG B 217 -18.207 -2.956 8.727 1.00 0.00 N ATOM 2410 CA ARG B 217 -17.004 -3.625 8.251 1.00 0.00 C ATOM 2411 C ARG B 217 -17.188 -5.137 8.227 1.00 0.00 C ATOM 2412 O ARG B 217 -17.909 -5.697 9.056 1.00 0.00 O ATOM 2413 CB ARG B 217 -15.815 -3.267 9.148 1.00 0.00 C ATOM 2414 CG ARG B 217 -15.595 -1.773 9.305 1.00 0.00 C ATOM 2415 CD ARG B 217 -14.387 -1.472 10.174 1.00 0.00 C ATOM 2416 NE ARG B 217 -13.131 -1.829 9.516 1.00 0.00 N ATOM 2417 CZ ARG B 217 -11.929 -1.626 10.054 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -11.821 -1.163 11.293 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -10.835 -1.909 9.360 1.00 0.00 N ATOM 0 H ARG B 217 -18.588 -3.336 9.594 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.810 -3.285 7.234 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -15.969 -3.708 10.133 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -14.912 -3.717 8.735 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -15.459 -1.320 8.323 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -16.483 -1.319 9.745 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -14.376 -0.411 10.423 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -14.472 -2.019 11.113 1.00 0.00 H new ATOM 0 HE ARG B 217 -13.178 -2.258 8.592 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -12.660 -0.961 11.837 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -10.899 -1.009 11.701 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -10.913 -2.282 8.414 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -9.915 -1.753 9.772 1.00 0.00 H new