USER MOD reduce.3.24.130724 H: found=0, std=0, add=1116, rem=0, adj=21 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+ 175:sc= 0.184 (180deg=0.0532) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 70 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00369) USER MOD Set 3.1: A 32 THR OG1 : rot 86:sc= 0.905 USER MOD Set 3.2: A 33 HIS : no HD1:sc= 1.8 K(o=2.7,f=-6.6!) USER MOD Set 4.1: A 18 HIS : no HD1:sc= 0.0663 K(o=0.52,f=-2.4!) USER MOD Set 4.2: A 105 TYR OH : rot -15:sc= -0.0304 USER MOD Set 4.3: A 119 HIS : no HD1:sc= 0.479 K(o=0.52,f=-1.5) USER MOD Single : A 11 GLN : amide:sc= -0.752! K(o=-0.75!,f=-0.098) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.238 X(o=-0.24,f=0) 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= -0.531 USER MOD Single : A 36 MET CE :methyl 154:sc= -2.43 (180deg=-5.86!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.29) USER MOD Single : A 57 HIS : no HD1:sc= 1.17 K(o=1.2,f=-5.2!) USER MOD Single : A 59 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.007) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.108) USER MOD Single : A 69 CYS SG : rot 130:sc= 0.192 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= -0.0764 (180deg=-0.212) USER MOD Single : A 79 SER OG : rot 101:sc= 1.29 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.84! C(o=-1.8!,f=-7.1!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.048) USER MOD Single : A 118 ASN : amide:sc= -0.524 K(o=-0.52,f=-3.8!) USER MOD Single : A 122 CYS SG : rot 33:sc= 0.107 USER MOD Single : A 124 LYS NZ :NH3+ -123:sc= -2.37! (180deg=-5.13!) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-8.5e-05) USER MOD Single : A 129 ASN : amide:sc=-0.00814 K(o=-0.0081,f=-0.82) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0768 USER MOD Single : A 137 LYS NZ :NH3+ -129:sc= -0.129 (180deg=-2.51!) USER MOD Single : A 140 LYS NZ :NH3+ -148:sc= -0.126 (180deg=-0.939) USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 9 23.179 2.935 8.247 1.00 0.00 N ATOM 100 CA ALA A 9 21.853 2.404 8.024 1.00 0.00 C ATOM 101 C ALA A 9 21.085 3.287 7.056 1.00 0.00 C ATOM 102 O ALA A 9 20.875 4.472 7.315 1.00 0.00 O ATOM 103 CB ALA A 9 21.104 2.268 9.338 1.00 0.00 C ATOM 0 HA ALA A 9 21.947 1.412 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.108 1.867 9.149 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.648 1.593 9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 9 21.017 3.246 9.810 1.00 0.00 H new ATOM 109 N VAL A 10 20.678 2.714 5.940 1.00 0.00 N ATOM 110 CA VAL A 10 19.885 3.439 4.964 1.00 0.00 C ATOM 111 C VAL A 10 18.426 3.065 5.143 1.00 0.00 C ATOM 112 O VAL A 10 18.096 1.883 5.210 1.00 0.00 O ATOM 113 CB VAL A 10 20.316 3.129 3.514 1.00 0.00 C ATOM 114 CG1 VAL A 10 19.590 4.044 2.539 1.00 0.00 C ATOM 115 CG2 VAL A 10 21.825 3.251 3.343 1.00 0.00 C ATOM 0 H VAL A 10 20.883 1.748 5.686 1.00 0.00 H new ATOM 0 HA VAL A 10 20.039 4.505 5.131 1.00 0.00 H new ATOM 0 HB VAL A 10 20.042 2.097 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.904 3.814 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.514 3.892 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.831 5.082 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.094 3.026 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.138 4.266 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.325 2.548 4.009 1.00 0.00 H new ATOM 125 N GLN A 11 17.554 4.053 5.242 1.00 0.00 N ATOM 126 CA GLN A 11 16.145 3.760 5.426 1.00 0.00 C ATOM 127 C GLN A 11 15.292 4.405 4.368 1.00 0.00 C ATOM 128 O GLN A 11 15.462 5.569 4.019 1.00 0.00 O ATOM 129 CB GLN A 11 15.617 4.081 6.827 1.00 0.00 C ATOM 130 CG GLN A 11 16.440 5.033 7.675 1.00 0.00 C ATOM 131 CD GLN A 11 16.052 6.492 7.539 1.00 0.00 C ATOM 132 OE1 GLN A 11 16.179 7.263 8.490 1.00 0.00 O ATOM 133 NE2 GLN A 11 15.591 6.890 6.373 1.00 0.00 N ATOM 0 H GLN A 11 17.790 5.044 5.199 1.00 0.00 H new ATOM 0 HA GLN A 11 16.069 2.678 5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.616 4.500 6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.515 3.143 7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.346 4.741 8.721 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.491 4.923 7.406 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.499 6.223 5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.326 7.865 6.235 1.00 0.00 H new ATOM 142 N VAL A 12 14.384 3.608 3.856 1.00 0.00 N ATOM 143 CA VAL A 12 13.486 4.032 2.818 1.00 0.00 C ATOM 144 C VAL A 12 12.090 4.223 3.390 1.00 0.00 C ATOM 145 O VAL A 12 11.652 3.446 4.242 1.00 0.00 O ATOM 146 CB VAL A 12 13.460 2.989 1.688 1.00 0.00 C ATOM 147 CG1 VAL A 12 14.789 2.973 0.946 1.00 0.00 C ATOM 148 CG2 VAL A 12 13.174 1.611 2.245 1.00 0.00 C ATOM 0 H VAL A 12 14.250 2.641 4.153 1.00 0.00 H new ATOM 0 HA VAL A 12 13.833 4.981 2.410 1.00 0.00 H new ATOM 0 HB VAL A 12 12.667 3.264 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.752 2.229 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.977 3.956 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.591 2.722 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.159 0.886 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.951 1.339 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.206 1.615 2.745 1.00 0.00 H new ATOM 158 N LYS A 13 11.408 5.272 2.966 1.00 0.00 N ATOM 159 CA LYS A 13 10.072 5.528 3.449 1.00 0.00 C ATOM 160 C LYS A 13 9.023 5.197 2.411 1.00 0.00 C ATOM 161 O LYS A 13 9.044 5.704 1.291 1.00 0.00 O ATOM 162 CB LYS A 13 9.940 6.971 3.927 1.00 0.00 C ATOM 163 CG LYS A 13 10.591 7.175 5.276 1.00 0.00 C ATOM 164 CD LYS A 13 10.392 8.584 5.805 1.00 0.00 C ATOM 165 CE LYS A 13 11.181 8.801 7.086 1.00 0.00 C ATOM 166 NZ LYS A 13 10.991 10.168 7.636 1.00 0.00 N ATOM 0 H LYS A 13 11.758 5.954 2.293 1.00 0.00 H new ATOM 0 HA LYS A 13 9.897 4.868 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.397 7.639 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.885 7.239 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.178 6.460 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.658 6.966 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.707 9.307 5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.333 8.760 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.873 8.066 7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.240 8.633 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.547 10.271 8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.309 10.870 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.984 10.320 7.847 1.00 0.00 H new ATOM 180 N LEU A 14 8.117 4.324 2.804 1.00 0.00 N ATOM 181 CA LEU A 14 6.991 3.954 1.967 1.00 0.00 C ATOM 182 C LEU A 14 5.711 4.433 2.615 1.00 0.00 C ATOM 183 O LEU A 14 5.516 4.285 3.813 1.00 0.00 O ATOM 184 CB LEU A 14 6.922 2.448 1.755 1.00 0.00 C ATOM 185 CG LEU A 14 8.107 1.823 1.020 1.00 0.00 C ATOM 186 CD1 LEU A 14 7.966 0.314 1.002 1.00 0.00 C ATOM 187 CD2 LEU A 14 8.202 2.352 -0.401 1.00 0.00 C ATOM 0 H LEU A 14 8.139 3.852 3.708 1.00 0.00 H new ATOM 0 HA LEU A 14 7.121 4.424 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.829 1.967 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.013 2.220 1.199 1.00 0.00 H new ATOM 0 HG LEU A 14 9.021 2.093 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.814 -0.124 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.940 -0.061 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.042 0.041 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.053 1.893 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.287 2.110 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.334 3.434 -0.378 1.00 0.00 H new ATOM 199 N GLU A 15 4.846 4.982 1.814 1.00 0.00 N ATOM 200 CA GLU A 15 3.659 5.648 2.300 1.00 0.00 C ATOM 201 C GLU A 15 2.412 4.827 1.998 1.00 0.00 C ATOM 202 O GLU A 15 2.195 4.407 0.860 1.00 0.00 O ATOM 203 CB GLU A 15 3.569 7.040 1.664 1.00 0.00 C ATOM 204 CG GLU A 15 2.368 7.858 2.101 1.00 0.00 C ATOM 205 CD GLU A 15 2.420 9.278 1.580 1.00 0.00 C ATOM 206 OE1 GLU A 15 2.080 9.494 0.403 1.00 0.00 O ATOM 207 OE2 GLU A 15 2.798 10.186 2.347 1.00 0.00 O ATOM 0 H GLU A 15 4.939 4.984 0.798 1.00 0.00 H new ATOM 0 HA GLU A 15 3.723 5.753 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.476 7.594 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.541 6.929 0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.456 7.377 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.319 7.874 3.190 1.00 0.00 H new ATOM 214 N LEU A 16 1.615 4.592 3.031 1.00 0.00 N ATOM 215 CA LEU A 16 0.327 3.932 2.877 1.00 0.00 C ATOM 216 C LEU A 16 -0.735 4.993 2.769 1.00 0.00 C ATOM 217 O LEU A 16 -0.663 6.018 3.450 1.00 0.00 O ATOM 218 CB LEU A 16 -0.031 3.031 4.063 1.00 0.00 C ATOM 219 CG LEU A 16 0.712 1.704 4.189 1.00 0.00 C ATOM 220 CD1 LEU A 16 0.710 0.955 2.875 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.125 1.927 4.673 1.00 0.00 C ATOM 0 H LEU A 16 1.841 4.851 3.991 1.00 0.00 H new ATOM 0 HA LEU A 16 0.387 3.305 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.136 3.598 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.098 2.815 4.012 1.00 0.00 H new ATOM 0 HG LEU A 16 0.189 1.094 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.246 0.013 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.318 0.753 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.200 1.559 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.637 0.968 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.656 2.562 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.103 2.412 5.649 1.00 0.00 H new ATOM 233 N GLY A 17 -1.711 4.753 1.937 1.00 0.00 N ATOM 234 CA GLY A 17 -2.760 5.716 1.765 1.00 0.00 C ATOM 235 C GLY A 17 -4.024 5.105 1.257 1.00 0.00 C ATOM 236 O GLY A 17 -4.045 3.937 0.870 1.00 0.00 O ATOM 0 H GLY A 17 -1.801 3.908 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.956 6.208 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.429 6.488 1.070 1.00 0.00 H new ATOM 240 N HIS A 18 -5.080 5.894 1.276 1.00 0.00 N ATOM 241 CA HIS A 18 -6.357 5.480 0.742 1.00 0.00 C ATOM 242 C HIS A 18 -7.351 6.635 0.816 1.00 0.00 C ATOM 243 O HIS A 18 -7.306 7.451 1.738 1.00 0.00 O ATOM 244 CB HIS A 18 -6.874 4.225 1.487 1.00 0.00 C ATOM 245 CG HIS A 18 -8.145 4.414 2.253 1.00 0.00 C ATOM 246 ND1 HIS A 18 -8.196 5.052 3.472 1.00 0.00 N ATOM 247 CD2 HIS A 18 -9.420 4.065 1.956 1.00 0.00 C ATOM 248 CE1 HIS A 18 -9.443 5.092 3.888 1.00 0.00 C ATOM 249 NE2 HIS A 18 -10.206 4.501 2.990 1.00 0.00 N ATOM 0 H HIS A 18 -5.074 6.838 1.662 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.239 5.208 -0.307 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.023 3.427 0.760 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.100 3.888 2.177 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.754 3.542 1.072 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.785 5.535 4.812 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.218 4.387 3.055 1.00 0.00 H new ATOM 258 N ARG A 19 -8.230 6.696 -0.163 1.00 0.00 N ATOM 259 CA ARG A 19 -9.317 7.653 -0.168 1.00 0.00 C ATOM 260 C ARG A 19 -10.622 6.888 -0.280 1.00 0.00 C ATOM 261 O ARG A 19 -10.612 5.724 -0.681 1.00 0.00 O ATOM 262 CB ARG A 19 -9.193 8.629 -1.341 1.00 0.00 C ATOM 263 CG ARG A 19 -7.898 9.416 -1.376 1.00 0.00 C ATOM 264 CD ARG A 19 -7.801 10.214 -2.662 1.00 0.00 C ATOM 265 NE ARG A 19 -6.495 10.854 -2.820 1.00 0.00 N ATOM 266 CZ ARG A 19 -5.954 11.170 -3.996 1.00 0.00 C ATOM 267 NH1 ARG A 19 -6.619 10.940 -5.125 1.00 0.00 N ATOM 268 NH2 ARG A 19 -4.749 11.724 -4.044 1.00 0.00 N ATOM 0 H ARG A 19 -8.211 6.083 -0.978 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.285 8.234 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.288 8.071 -2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.027 9.330 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.850 10.088 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.049 8.736 -1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.986 9.555 -3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.581 10.976 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.965 11.072 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.548 10.520 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.200 11.184 -6.022 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.237 11.908 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.334 11.966 -4.944 1.00 0.00 H new ATOM 282 N ALA A 20 -11.729 7.515 0.072 1.00 0.00 N ATOM 283 CA ALA A 20 -13.021 6.855 -0.017 1.00 0.00 C ATOM 284 C ALA A 20 -14.122 7.845 -0.358 1.00 0.00 C ATOM 285 O ALA A 20 -14.135 8.981 0.137 1.00 0.00 O ATOM 286 CB ALA A 20 -13.348 6.130 1.276 1.00 0.00 C ATOM 0 H ALA A 20 -11.762 8.473 0.420 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.961 6.122 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.319 5.644 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.584 5.379 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.376 6.846 2.097 1.00 0.00 H new ATOM 292 N GLN A 21 -15.036 7.388 -1.207 1.00 0.00 N ATOM 293 CA GLN A 21 -16.186 8.167 -1.632 1.00 0.00 C ATOM 294 C GLN A 21 -17.338 7.223 -1.968 1.00 0.00 C ATOM 295 O GLN A 21 -17.116 6.081 -2.365 1.00 0.00 O ATOM 296 CB GLN A 21 -15.810 9.053 -2.830 1.00 0.00 C ATOM 297 CG GLN A 21 -15.552 8.326 -4.146 1.00 0.00 C ATOM 298 CD GLN A 21 -16.732 8.374 -5.099 1.00 0.00 C ATOM 299 OE1 GLN A 21 -16.869 9.309 -5.886 1.00 0.00 O ATOM 300 NE2 GLN A 21 -17.577 7.356 -5.057 1.00 0.00 N ATOM 0 H GLN A 21 -14.996 6.457 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 21 -16.507 8.826 -0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.611 9.775 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.916 9.620 -2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.682 8.768 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.305 7.285 -3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.430 6.598 -4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.375 7.329 -5.692 1.00 0.00 H new ATOM 309 N VAL A 22 -18.563 7.681 -1.782 1.00 0.00 N ATOM 310 CA VAL A 22 -19.725 6.835 -2.009 1.00 0.00 C ATOM 311 C VAL A 22 -20.399 7.175 -3.331 1.00 0.00 C ATOM 312 O VAL A 22 -20.466 8.341 -3.727 1.00 0.00 O ATOM 313 CB VAL A 22 -20.754 6.956 -0.858 1.00 0.00 C ATOM 314 CG1 VAL A 22 -21.423 8.314 -0.858 1.00 0.00 C ATOM 315 CG2 VAL A 22 -21.800 5.853 -0.927 1.00 0.00 C ATOM 0 H VAL A 22 -18.780 8.629 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.365 5.807 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 22 -20.203 6.845 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.139 8.367 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.669 9.091 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -21.943 8.463 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -22.506 5.969 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.334 5.917 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -21.310 4.882 -0.851 1.00 0.00 H new ATOM 325 N ARG A 23 -20.868 6.153 -4.019 1.00 0.00 N ATOM 326 CA ARG A 23 -21.728 6.346 -5.170 1.00 0.00 C ATOM 327 C ARG A 23 -23.170 6.213 -4.713 1.00 0.00 C ATOM 328 O ARG A 23 -23.512 5.286 -3.975 1.00 0.00 O ATOM 329 CB ARG A 23 -21.416 5.340 -6.287 1.00 0.00 C ATOM 330 CG ARG A 23 -20.897 4.001 -5.793 1.00 0.00 C ATOM 331 CD ARG A 23 -21.285 2.861 -6.722 1.00 0.00 C ATOM 332 NE ARG A 23 -20.904 3.109 -8.111 1.00 0.00 N ATOM 333 CZ ARG A 23 -20.078 2.328 -8.809 1.00 0.00 C ATOM 334 NH1 ARG A 23 -19.455 1.313 -8.221 1.00 0.00 N ATOM 335 NH2 ARG A 23 -19.856 2.579 -10.095 1.00 0.00 N ATOM 0 H ARG A 23 -20.667 5.177 -3.800 1.00 0.00 H new ATOM 0 HA ARG A 23 -21.554 7.338 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -22.320 5.173 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.677 5.778 -6.959 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.811 4.043 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.290 3.805 -4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.812 1.941 -6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.362 2.704 -6.668 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.294 3.930 -8.575 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.607 1.127 -7.230 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.825 0.720 -8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.317 3.368 -10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.225 1.982 -10.629 1.00 0.00 H new ATOM 349 N LYS A 24 -24.005 7.153 -5.129 1.00 0.00 N ATOM 350 CA LYS A 24 -25.391 7.199 -4.680 1.00 0.00 C ATOM 351 C LYS A 24 -26.184 6.010 -5.219 1.00 0.00 C ATOM 352 O LYS A 24 -27.318 5.763 -4.802 1.00 0.00 O ATOM 353 CB LYS A 24 -26.040 8.512 -5.112 1.00 0.00 C ATOM 354 CG LYS A 24 -27.360 8.787 -4.416 1.00 0.00 C ATOM 355 CD LYS A 24 -27.173 9.039 -2.928 1.00 0.00 C ATOM 356 CE LYS A 24 -28.509 9.263 -2.240 1.00 0.00 C ATOM 357 NZ LYS A 24 -28.357 9.525 -0.785 1.00 0.00 N ATOM 0 H LYS A 24 -23.748 7.896 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 24 -25.399 7.141 -3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -25.352 9.333 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -26.203 8.491 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -27.839 9.653 -4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -28.030 7.939 -4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -26.664 8.189 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -26.534 9.910 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -29.019 10.105 -2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -29.141 8.387 -2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -29.294 9.672 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -27.894 8.711 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -27.776 10.376 -0.644 1.00 0.00 H new ATOM 371 N LYS A 25 -25.586 5.270 -6.138 1.00 0.00 N ATOM 372 CA LYS A 25 -26.221 4.086 -6.681 1.00 0.00 C ATOM 373 C LYS A 25 -25.219 2.935 -6.737 1.00 0.00 C ATOM 374 O LYS A 25 -24.223 3.011 -7.460 1.00 0.00 O ATOM 375 CB LYS A 25 -26.776 4.371 -8.081 1.00 0.00 C ATOM 376 CG LYS A 25 -27.695 3.295 -8.605 1.00 0.00 C ATOM 377 CD LYS A 25 -29.009 3.270 -7.851 1.00 0.00 C ATOM 378 CE LYS A 25 -29.884 2.127 -8.325 1.00 0.00 C ATOM 379 NZ LYS A 25 -31.059 1.931 -7.439 1.00 0.00 N ATOM 0 H LYS A 25 -24.662 5.470 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 25 -27.049 3.804 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -27.315 5.318 -8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -25.943 4.493 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -27.886 3.463 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -27.207 2.324 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -28.818 3.168 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -29.532 4.216 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -30.224 2.326 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -29.297 1.209 -8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -31.634 1.141 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -30.735 1.716 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -31.633 2.798 -7.426 1.00 0.00 H new ATOM 393 N PRO A 26 -25.452 1.866 -5.952 1.00 0.00 N ATOM 394 CA PRO A 26 -24.602 0.673 -5.964 1.00 0.00 C ATOM 395 C PRO A 26 -24.551 0.017 -7.336 1.00 0.00 C ATOM 396 O PRO A 26 -25.464 0.173 -8.150 1.00 0.00 O ATOM 397 CB PRO A 26 -25.263 -0.267 -4.950 1.00 0.00 C ATOM 398 CG PRO A 26 -26.118 0.609 -4.104 1.00 0.00 C ATOM 399 CD PRO A 26 -26.554 1.745 -4.985 1.00 0.00 C ATOM 0 HA PRO A 26 -23.568 0.916 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -25.857 -1.031 -5.451 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -24.516 -0.786 -4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -26.979 0.061 -3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -25.564 0.977 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -27.501 1.530 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -26.693 2.665 -4.416 1.00 0.00 H new ATOM 407 N THR A 27 -23.478 -0.717 -7.581 1.00 0.00 N ATOM 408 CA THR A 27 -23.284 -1.388 -8.857 1.00 0.00 C ATOM 409 C THR A 27 -24.175 -2.627 -8.938 1.00 0.00 C ATOM 410 O THR A 27 -24.868 -2.951 -7.972 1.00 0.00 O ATOM 411 CB THR A 27 -21.794 -1.781 -9.072 1.00 0.00 C ATOM 412 OG1 THR A 27 -21.615 -2.467 -10.317 1.00 0.00 O ATOM 413 CG2 THR A 27 -21.280 -2.657 -7.938 1.00 0.00 C ATOM 0 H THR A 27 -22.724 -0.864 -6.910 1.00 0.00 H new ATOM 0 HA THR A 27 -23.563 -0.693 -9.649 1.00 0.00 H new ATOM 0 HB THR A 27 -21.221 -0.854 -9.088 1.00 0.00 H new ATOM 0 HG1 THR A 27 -20.670 -2.701 -10.429 1.00 0.00 H new ATOM 0 HG21 THR A 27 -20.236 -2.913 -8.120 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.362 -2.117 -6.995 1.00 0.00 H new ATOM 0 HG23 THR A 27 -21.874 -3.570 -7.886 1.00 0.00 H new ATOM 421 N VAL A 28 -24.158 -3.303 -10.079 1.00 0.00 N ATOM 422 CA VAL A 28 -24.898 -4.547 -10.273 1.00 0.00 C ATOM 423 C VAL A 28 -24.697 -5.515 -9.102 1.00 0.00 C ATOM 424 O VAL A 28 -25.630 -6.187 -8.664 1.00 0.00 O ATOM 425 CB VAL A 28 -24.478 -5.223 -11.596 1.00 0.00 C ATOM 426 CG1 VAL A 28 -22.961 -5.273 -11.727 1.00 0.00 C ATOM 427 CG2 VAL A 28 -25.069 -6.619 -11.705 1.00 0.00 C ATOM 0 H VAL A 28 -23.630 -3.005 -10.899 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.957 -4.294 -10.320 1.00 0.00 H new ATOM 0 HB VAL A 28 -24.871 -4.621 -12.416 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -22.693 -5.754 -12.668 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -22.561 -4.259 -11.711 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -22.543 -5.842 -10.896 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -24.758 -7.073 -12.646 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -24.717 -7.229 -10.873 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -26.157 -6.557 -11.674 1.00 0.00 H new ATOM 437 N GLU A 29 -23.484 -5.544 -8.572 1.00 0.00 N ATOM 438 CA GLU A 29 -23.137 -6.476 -7.512 1.00 0.00 C ATOM 439 C GLU A 29 -23.435 -5.894 -6.126 1.00 0.00 C ATOM 440 O GLU A 29 -23.173 -6.529 -5.108 1.00 0.00 O ATOM 441 CB GLU A 29 -21.667 -6.853 -7.636 1.00 0.00 C ATOM 442 CG GLU A 29 -21.306 -7.385 -9.016 1.00 0.00 C ATOM 443 CD GLU A 29 -19.880 -7.880 -9.097 1.00 0.00 C ATOM 444 OE1 GLU A 29 -19.579 -8.935 -8.501 1.00 0.00 O ATOM 445 OE2 GLU A 29 -19.056 -7.226 -9.770 1.00 0.00 O ATOM 0 H GLU A 29 -22.722 -4.931 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 29 -23.752 -7.369 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -21.053 -5.979 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -21.426 -7.607 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -21.984 -8.198 -9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -21.455 -6.597 -9.755 1.00 0.00 H new ATOM 452 N GLY A 30 -23.969 -4.678 -6.100 1.00 0.00 N ATOM 453 CA GLY A 30 -24.444 -4.093 -4.857 1.00 0.00 C ATOM 454 C GLY A 30 -23.338 -3.492 -4.018 1.00 0.00 C ATOM 455 O GLY A 30 -23.393 -3.517 -2.790 1.00 0.00 O ATOM 0 H GLY A 30 -24.082 -4.083 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.179 -3.321 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -24.957 -4.859 -4.275 1.00 0.00 H new ATOM 459 N PHE A 31 -22.335 -2.951 -4.680 1.00 0.00 N ATOM 460 CA PHE A 31 -21.236 -2.298 -3.994 1.00 0.00 C ATOM 461 C PHE A 31 -21.496 -0.789 -3.952 1.00 0.00 C ATOM 462 O PHE A 31 -21.716 -0.161 -4.990 1.00 0.00 O ATOM 463 CB PHE A 31 -19.910 -2.627 -4.694 1.00 0.00 C ATOM 464 CG PHE A 31 -19.681 -4.109 -4.914 1.00 0.00 C ATOM 465 CD1 PHE A 31 -20.204 -5.056 -4.046 1.00 0.00 C ATOM 466 CD2 PHE A 31 -18.938 -4.554 -5.994 1.00 0.00 C ATOM 467 CE1 PHE A 31 -19.993 -6.404 -4.252 1.00 0.00 C ATOM 468 CE2 PHE A 31 -18.723 -5.899 -6.206 1.00 0.00 C ATOM 469 CZ PHE A 31 -19.252 -6.827 -5.335 1.00 0.00 C ATOM 0 H PHE A 31 -22.258 -2.950 -5.697 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.164 -2.663 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -19.884 -2.119 -5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -19.088 -2.227 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -20.786 -4.733 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -18.519 -3.835 -6.682 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -20.408 -7.127 -3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -18.140 -6.226 -7.055 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.087 -7.881 -5.500 1.00 0.00 H new ATOM 479 N THR A 32 -21.496 -0.230 -2.745 1.00 0.00 N ATOM 480 CA THR A 32 -21.943 1.146 -2.513 1.00 0.00 C ATOM 481 C THR A 32 -20.785 2.143 -2.405 1.00 0.00 C ATOM 482 O THR A 32 -20.911 3.305 -2.791 1.00 0.00 O ATOM 483 CB THR A 32 -22.772 1.226 -1.215 1.00 0.00 C ATOM 484 OG1 THR A 32 -21.990 0.790 -0.092 1.00 0.00 O ATOM 485 CG2 THR A 32 -24.016 0.386 -1.323 1.00 0.00 C ATOM 0 H THR A 32 -21.188 -0.713 -1.901 1.00 0.00 H new ATOM 0 HA THR A 32 -22.545 1.418 -3.380 1.00 0.00 H new ATOM 0 HB THR A 32 -23.063 2.266 -1.065 1.00 0.00 H new ATOM 0 HG1 THR A 32 -21.464 1.542 0.252 1.00 0.00 H new ATOM 0 HG21 THR A 32 -24.585 0.458 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 32 -24.626 0.744 -2.152 1.00 0.00 H new ATOM 0 HG23 THR A 32 -23.739 -0.653 -1.499 1.00 0.00 H new ATOM 493 N HIS A 33 -19.666 1.691 -1.872 1.00 0.00 N ATOM 494 CA HIS A 33 -18.549 2.574 -1.556 1.00 0.00 C ATOM 495 C HIS A 33 -17.359 2.318 -2.466 1.00 0.00 C ATOM 496 O HIS A 33 -16.972 1.174 -2.681 1.00 0.00 O ATOM 497 CB HIS A 33 -18.136 2.378 -0.097 1.00 0.00 C ATOM 498 CG HIS A 33 -18.969 3.149 0.878 1.00 0.00 C ATOM 499 ND1 HIS A 33 -20.204 2.732 1.325 1.00 0.00 N ATOM 500 CD2 HIS A 33 -18.716 4.314 1.515 1.00 0.00 C ATOM 501 CE1 HIS A 33 -20.670 3.610 2.196 1.00 0.00 C ATOM 502 NE2 HIS A 33 -19.786 4.579 2.328 1.00 0.00 N ATOM 0 H HIS A 33 -19.502 0.710 -1.646 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.876 3.602 -1.714 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.196 1.318 0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -17.093 2.673 0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.832 4.924 1.403 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.616 3.545 2.713 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.883 5.392 2.936 1.00 0.00 H new ATOM 511 N ASP A 34 -16.774 3.391 -2.974 1.00 0.00 N ATOM 512 CA ASP A 34 -15.603 3.303 -3.831 1.00 0.00 C ATOM 513 C ASP A 34 -14.400 3.821 -3.069 1.00 0.00 C ATOM 514 O ASP A 34 -14.501 4.818 -2.348 1.00 0.00 O ATOM 515 CB ASP A 34 -15.784 4.138 -5.105 1.00 0.00 C ATOM 516 CG ASP A 34 -17.007 3.754 -5.916 1.00 0.00 C ATOM 517 OD1 ASP A 34 -17.179 2.556 -6.215 1.00 0.00 O ATOM 518 OD2 ASP A 34 -17.791 4.659 -6.275 1.00 0.00 O ATOM 0 H ASP A 34 -17.096 4.344 -2.805 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.460 2.261 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.856 5.191 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.897 4.030 -5.729 1.00 0.00 H new ATOM 523 N TRP A 35 -13.274 3.153 -3.209 1.00 0.00 N ATOM 524 CA TRP A 35 -12.062 3.604 -2.553 1.00 0.00 C ATOM 525 C TRP A 35 -10.830 3.327 -3.398 1.00 0.00 C ATOM 526 O TRP A 35 -10.874 2.555 -4.360 1.00 0.00 O ATOM 527 CB TRP A 35 -11.907 2.969 -1.166 1.00 0.00 C ATOM 528 CG TRP A 35 -12.000 1.469 -1.131 1.00 0.00 C ATOM 529 CD1 TRP A 35 -13.087 0.718 -0.776 1.00 0.00 C ATOM 530 CD2 TRP A 35 -10.953 0.539 -1.436 1.00 0.00 C ATOM 531 NE1 TRP A 35 -12.775 -0.622 -0.841 1.00 0.00 N ATOM 532 CE2 TRP A 35 -11.470 -0.755 -1.244 1.00 0.00 C ATOM 533 CE3 TRP A 35 -9.625 0.678 -1.853 1.00 0.00 C ATOM 534 CZ2 TRP A 35 -10.703 -1.901 -1.452 1.00 0.00 C ATOM 535 CZ3 TRP A 35 -8.867 -0.459 -2.056 1.00 0.00 C ATOM 536 CH2 TRP A 35 -9.406 -1.732 -1.856 1.00 0.00 C ATOM 0 H TRP A 35 -13.171 2.304 -3.765 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.153 4.683 -2.429 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.942 3.266 -0.754 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -12.674 3.379 -0.509 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -14.048 1.117 -0.487 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -13.410 -1.390 -0.625 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -9.199 1.658 -2.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -11.117 -2.887 -1.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.840 -0.362 -2.375 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.787 -2.601 -2.024 1.00 0.00 H new ATOM 547 N MET A 36 -9.741 3.974 -3.026 1.00 0.00 N ATOM 548 CA MET A 36 -8.454 3.785 -3.674 1.00 0.00 C ATOM 549 C MET A 36 -7.355 3.769 -2.628 1.00 0.00 C ATOM 550 O MET A 36 -7.379 4.570 -1.702 1.00 0.00 O ATOM 551 CB MET A 36 -8.178 4.906 -4.678 1.00 0.00 C ATOM 552 CG MET A 36 -6.732 4.947 -5.148 1.00 0.00 C ATOM 553 SD MET A 36 -6.340 6.453 -6.032 1.00 0.00 S ATOM 554 CE MET A 36 -6.613 7.601 -4.697 1.00 0.00 C ATOM 0 H MET A 36 -9.723 4.649 -2.262 1.00 0.00 H new ATOM 0 HA MET A 36 -8.475 2.835 -4.208 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.831 4.780 -5.542 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.433 5.863 -4.223 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.071 4.853 -4.287 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.539 4.090 -5.793 1.00 0.00 H new ATOM 0 HE1 MET A 36 -6.013 8.497 -4.859 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.668 7.872 -4.661 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.325 7.137 -3.754 1.00 0.00 H new ATOM 564 N VAL A 37 -6.404 2.861 -2.775 1.00 0.00 N ATOM 565 CA VAL A 37 -5.281 2.766 -1.849 1.00 0.00 C ATOM 566 C VAL A 37 -3.987 3.260 -2.473 1.00 0.00 C ATOM 567 O VAL A 37 -3.843 3.264 -3.692 1.00 0.00 O ATOM 568 CB VAL A 37 -5.070 1.329 -1.352 1.00 0.00 C ATOM 569 CG1 VAL A 37 -5.809 1.107 -0.061 1.00 0.00 C ATOM 570 CG2 VAL A 37 -5.536 0.335 -2.395 1.00 0.00 C ATOM 0 H VAL A 37 -6.385 2.175 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.538 3.405 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.005 1.179 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.649 0.084 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.440 1.801 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.874 1.275 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.379 -0.679 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.596 0.488 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.968 0.479 -3.314 1.00 0.00 H new ATOM 580 N PHE A 38 -3.059 3.645 -1.606 1.00 0.00 N ATOM 581 CA PHE A 38 -1.782 4.239 -1.991 1.00 0.00 C ATOM 582 C PHE A 38 -0.613 3.474 -1.382 1.00 0.00 C ATOM 583 O PHE A 38 -0.603 3.217 -0.178 1.00 0.00 O ATOM 584 CB PHE A 38 -1.705 5.678 -1.465 1.00 0.00 C ATOM 585 CG PHE A 38 -2.072 6.765 -2.432 1.00 0.00 C ATOM 586 CD1 PHE A 38 -1.095 7.330 -3.228 1.00 0.00 C ATOM 587 CD2 PHE A 38 -3.369 7.251 -2.517 1.00 0.00 C ATOM 588 CE1 PHE A 38 -1.393 8.355 -4.099 1.00 0.00 C ATOM 589 CE2 PHE A 38 -3.676 8.275 -3.391 1.00 0.00 C ATOM 590 CZ PHE A 38 -2.692 8.830 -4.185 1.00 0.00 C ATOM 0 H PHE A 38 -3.174 3.552 -0.597 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.720 4.207 -3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.359 5.759 -0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.688 5.860 -1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.081 6.962 -3.167 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.143 6.826 -1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.617 8.787 -4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.689 8.643 -3.454 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.933 9.630 -4.869 1.00 0.00 H new ATOM 600 N VAL A 39 0.349 3.096 -2.215 1.00 0.00 N ATOM 601 CA VAL A 39 1.664 2.695 -1.740 1.00 0.00 C ATOM 602 C VAL A 39 2.746 3.323 -2.621 1.00 0.00 C ATOM 603 O VAL A 39 2.832 3.050 -3.815 1.00 0.00 O ATOM 604 CB VAL A 39 1.821 1.161 -1.680 1.00 0.00 C ATOM 605 CG1 VAL A 39 1.036 0.611 -0.511 1.00 0.00 C ATOM 606 CG2 VAL A 39 1.360 0.503 -2.965 1.00 0.00 C ATOM 0 H VAL A 39 0.240 3.059 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 39 1.777 3.059 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 39 2.880 0.937 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.150 -0.472 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.409 1.048 0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.018 0.861 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.485 -0.577 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.309 0.735 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.954 0.877 -3.799 1.00 0.00 H new ATOM 616 N ARG A 40 3.544 4.199 -2.030 1.00 0.00 N ATOM 617 CA ARG A 40 4.538 4.975 -2.771 1.00 0.00 C ATOM 618 C ARG A 40 5.533 5.590 -1.805 1.00 0.00 C ATOM 619 O ARG A 40 5.501 5.302 -0.620 1.00 0.00 O ATOM 620 CB ARG A 40 3.875 6.107 -3.563 1.00 0.00 C ATOM 621 CG ARG A 40 3.182 7.122 -2.658 1.00 0.00 C ATOM 622 CD ARG A 40 3.301 8.552 -3.168 1.00 0.00 C ATOM 623 NE ARG A 40 2.938 9.507 -2.123 1.00 0.00 N ATOM 624 CZ ARG A 40 3.102 10.821 -2.211 1.00 0.00 C ATOM 625 NH1 ARG A 40 3.597 11.365 -3.313 1.00 0.00 N ATOM 626 NH2 ARG A 40 2.761 11.589 -1.187 1.00 0.00 N ATOM 0 H ARG A 40 3.525 4.395 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 40 5.041 4.298 -3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.628 6.616 -4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.147 5.684 -4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.128 6.861 -2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.611 7.062 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.322 8.741 -3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.653 8.689 -4.034 1.00 0.00 H new ATOM 0 HE ARG A 40 2.529 9.137 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.855 10.773 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.720 12.376 -3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.376 11.169 -0.341 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.883 12.600 -1.245 1.00 0.00 H new ATOM 640 N GLY A 41 6.424 6.419 -2.318 1.00 0.00 N ATOM 641 CA GLY A 41 7.330 7.148 -1.459 1.00 0.00 C ATOM 642 C GLY A 41 6.960 8.613 -1.372 1.00 0.00 C ATOM 643 O GLY A 41 6.407 9.162 -2.327 1.00 0.00 O ATOM 0 H GLY A 41 6.537 6.601 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.318 6.709 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.348 7.051 -1.837 1.00 0.00 H new ATOM 647 N PRO A 42 7.225 9.260 -0.224 1.00 0.00 N ATOM 648 CA PRO A 42 6.948 10.690 -0.024 1.00 0.00 C ATOM 649 C PRO A 42 7.512 11.574 -1.129 1.00 0.00 C ATOM 650 O PRO A 42 8.444 11.189 -1.840 1.00 0.00 O ATOM 651 CB PRO A 42 7.627 11.001 1.313 1.00 0.00 C ATOM 652 CG PRO A 42 7.679 9.699 2.036 1.00 0.00 C ATOM 653 CD PRO A 42 7.794 8.632 0.983 1.00 0.00 C ATOM 0 HA PRO A 42 5.877 10.892 -0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.627 11.408 1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.063 11.743 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.530 9.666 2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.783 9.554 2.639 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.831 8.335 0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.244 7.734 1.263 1.00 0.00 H new ATOM 661 N GLU A 43 6.935 12.773 -1.236 1.00 0.00 N ATOM 662 CA GLU A 43 7.238 13.713 -2.311 1.00 0.00 C ATOM 663 C GLU A 43 8.734 13.812 -2.590 1.00 0.00 C ATOM 664 O GLU A 43 9.534 14.022 -1.679 1.00 0.00 O ATOM 665 CB GLU A 43 6.683 15.097 -1.978 1.00 0.00 C ATOM 666 CG GLU A 43 5.166 15.150 -1.907 1.00 0.00 C ATOM 667 CD GLU A 43 4.502 14.813 -3.228 1.00 0.00 C ATOM 668 OE1 GLU A 43 4.904 15.378 -4.267 1.00 0.00 O ATOM 669 OE2 GLU A 43 3.574 13.979 -3.236 1.00 0.00 O ATOM 0 H GLU A 43 6.240 13.119 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 43 6.759 13.331 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.093 15.422 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.027 15.807 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.818 14.454 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.856 16.147 -1.594 1.00 0.00 H new ATOM 676 N HIS A 44 9.072 13.607 -3.862 1.00 0.00 N ATOM 677 CA HIS A 44 10.442 13.729 -4.394 1.00 0.00 C ATOM 678 C HIS A 44 11.203 12.417 -4.295 1.00 0.00 C ATOM 679 O HIS A 44 12.198 12.214 -4.992 1.00 0.00 O ATOM 680 CB HIS A 44 11.254 14.850 -3.724 1.00 0.00 C ATOM 681 CG HIS A 44 10.787 16.230 -4.069 1.00 0.00 C ATOM 682 ND1 HIS A 44 10.914 16.770 -5.328 1.00 0.00 N ATOM 683 CD2 HIS A 44 10.187 17.183 -3.315 1.00 0.00 C ATOM 684 CE1 HIS A 44 10.413 17.987 -5.336 1.00 0.00 C ATOM 685 NE2 HIS A 44 9.962 18.265 -4.127 1.00 0.00 N ATOM 0 H HIS A 44 8.390 13.345 -4.574 1.00 0.00 H new ATOM 0 HA HIS A 44 10.320 13.994 -5.444 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.208 14.722 -2.643 1.00 0.00 H new ATOM 0 HB3 HIS A 44 12.300 14.749 -4.012 1.00 0.00 H new ATOM 0 HD2 HIS A 44 9.933 17.105 -2.268 1.00 0.00 H new ATOM 0 HE1 HIS A 44 10.377 18.648 -6.189 1.00 0.00 H new ATOM 0 HE2 HIS A 44 9.520 19.139 -3.844 1.00 0.00 H new ATOM 694 N SER A 45 10.742 11.525 -3.440 1.00 0.00 N ATOM 695 CA SER A 45 11.380 10.234 -3.285 1.00 0.00 C ATOM 696 C SER A 45 10.691 9.208 -4.171 1.00 0.00 C ATOM 697 O SER A 45 9.526 8.871 -3.956 1.00 0.00 O ATOM 698 CB SER A 45 11.311 9.789 -1.826 1.00 0.00 C ATOM 699 OG SER A 45 11.668 10.848 -0.950 1.00 0.00 O ATOM 0 H SER A 45 9.928 11.671 -2.843 1.00 0.00 H new ATOM 0 HA SER A 45 12.426 10.317 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.303 9.446 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.979 8.942 -1.669 1.00 0.00 H new ATOM 0 HG SER A 45 11.614 10.537 -0.022 1.00 0.00 H new ATOM 705 N ASN A 46 11.395 8.720 -5.177 1.00 0.00 N ATOM 706 CA ASN A 46 10.836 7.687 -6.027 1.00 0.00 C ATOM 707 C ASN A 46 11.210 6.330 -5.471 1.00 0.00 C ATOM 708 O ASN A 46 12.390 6.025 -5.297 1.00 0.00 O ATOM 709 CB ASN A 46 11.345 7.812 -7.468 1.00 0.00 C ATOM 710 CG ASN A 46 10.732 8.978 -8.217 1.00 0.00 C ATOM 711 OD1 ASN A 46 9.628 8.879 -8.757 1.00 0.00 O ATOM 712 ND2 ASN A 46 11.455 10.080 -8.285 1.00 0.00 N ATOM 0 H ASN A 46 12.340 9.017 -5.422 1.00 0.00 H new ATOM 0 HA ASN A 46 9.752 7.802 -6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.429 7.926 -7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.128 6.889 -8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.105 10.889 -8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.364 10.123 -7.825 1.00 0.00 H new ATOM 719 N ILE A 47 10.214 5.499 -5.223 1.00 0.00 N ATOM 720 CA ILE A 47 10.474 4.186 -4.669 1.00 0.00 C ATOM 721 C ILE A 47 10.829 3.210 -5.764 1.00 0.00 C ATOM 722 O ILE A 47 11.447 2.197 -5.509 1.00 0.00 O ATOM 723 CB ILE A 47 9.301 3.635 -3.859 1.00 0.00 C ATOM 724 CG1 ILE A 47 8.143 3.225 -4.764 1.00 0.00 C ATOM 725 CG2 ILE A 47 8.875 4.652 -2.832 1.00 0.00 C ATOM 726 CD1 ILE A 47 6.893 2.848 -4.004 1.00 0.00 C ATOM 0 H ILE A 47 9.230 5.707 -5.394 1.00 0.00 H new ATOM 0 HA ILE A 47 11.315 4.305 -3.986 1.00 0.00 H new ATOM 0 HB ILE A 47 9.624 2.733 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.913 4.047 -5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.454 2.381 -5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.038 4.258 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.709 4.865 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.569 5.570 -3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.110 2.567 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.108 2.006 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.558 3.698 -3.409 1.00 0.00 H new ATOM 738 N GLN A 48 10.469 3.558 -6.995 1.00 0.00 N ATOM 739 CA GLN A 48 10.735 2.722 -8.166 1.00 0.00 C ATOM 740 C GLN A 48 12.240 2.468 -8.339 1.00 0.00 C ATOM 741 O GLN A 48 12.667 1.649 -9.156 1.00 0.00 O ATOM 742 CB GLN A 48 10.128 3.407 -9.402 1.00 0.00 C ATOM 743 CG GLN A 48 10.460 2.747 -10.734 1.00 0.00 C ATOM 744 CD GLN A 48 9.365 2.913 -11.761 1.00 0.00 C ATOM 745 OE1 GLN A 48 9.352 3.890 -12.510 1.00 0.00 O ATOM 746 NE2 GLN A 48 8.432 1.974 -11.810 1.00 0.00 N ATOM 0 H GLN A 48 9.984 4.429 -7.212 1.00 0.00 H new ATOM 0 HA GLN A 48 10.272 1.744 -8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.044 3.434 -9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.472 4.441 -9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.385 3.172 -11.124 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.641 1.684 -10.572 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.475 1.178 -11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.670 2.047 -12.484 1.00 0.00 H new ATOM 755 N HIS A 49 13.032 3.166 -7.546 1.00 0.00 N ATOM 756 CA HIS A 49 14.473 2.961 -7.518 1.00 0.00 C ATOM 757 C HIS A 49 14.839 1.737 -6.685 1.00 0.00 C ATOM 758 O HIS A 49 15.722 0.971 -7.063 1.00 0.00 O ATOM 759 CB HIS A 49 15.189 4.197 -6.970 1.00 0.00 C ATOM 760 CG HIS A 49 15.529 5.198 -8.024 1.00 0.00 C ATOM 761 ND1 HIS A 49 16.158 4.864 -9.203 1.00 0.00 N ATOM 762 CD2 HIS A 49 15.308 6.529 -8.084 1.00 0.00 C ATOM 763 CE1 HIS A 49 16.304 5.944 -9.941 1.00 0.00 C ATOM 764 NE2 HIS A 49 15.797 6.970 -9.287 1.00 0.00 N ATOM 0 H HIS A 49 12.700 3.887 -6.906 1.00 0.00 H new ATOM 0 HA HIS A 49 14.800 2.792 -8.544 1.00 0.00 H new ATOM 0 HB2 HIS A 49 14.557 4.671 -6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 49 16.104 3.885 -6.466 1.00 0.00 H new ATOM 0 HD2 HIS A 49 14.834 7.134 -7.325 1.00 0.00 H new ATOM 0 HE1 HIS A 49 16.762 5.983 -10.918 1.00 0.00 H new ATOM 0 HE2 HIS A 49 15.772 7.934 -9.621 1.00 0.00 H new ATOM 773 N PHE A 50 14.156 1.545 -5.563 1.00 0.00 N ATOM 774 CA PHE A 50 14.457 0.425 -4.678 1.00 0.00 C ATOM 775 C PHE A 50 13.278 -0.549 -4.597 1.00 0.00 C ATOM 776 O PHE A 50 13.349 -1.579 -3.926 1.00 0.00 O ATOM 777 CB PHE A 50 14.868 0.926 -3.284 1.00 0.00 C ATOM 778 CG PHE A 50 13.853 1.784 -2.586 1.00 0.00 C ATOM 779 CD1 PHE A 50 12.836 1.224 -1.833 1.00 0.00 C ATOM 780 CD2 PHE A 50 13.935 3.160 -2.672 1.00 0.00 C ATOM 781 CE1 PHE A 50 11.917 2.023 -1.187 1.00 0.00 C ATOM 782 CE2 PHE A 50 13.014 3.964 -2.027 1.00 0.00 C ATOM 783 CZ PHE A 50 12.003 3.395 -1.285 1.00 0.00 C ATOM 0 H PHE A 50 13.395 2.145 -5.245 1.00 0.00 H new ATOM 0 HA PHE A 50 15.302 -0.120 -5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.084 0.063 -2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 50 15.795 1.492 -3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.761 0.150 -1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.727 3.613 -3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.128 1.573 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.087 5.039 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.281 4.021 -0.782 1.00 0.00 H new ATOM 793 N VAL A 51 12.214 -0.221 -5.314 1.00 0.00 N ATOM 794 CA VAL A 51 10.987 -1.002 -5.319 1.00 0.00 C ATOM 795 C VAL A 51 10.655 -1.444 -6.740 1.00 0.00 C ATOM 796 O VAL A 51 10.692 -0.647 -7.679 1.00 0.00 O ATOM 797 CB VAL A 51 9.821 -0.183 -4.713 1.00 0.00 C ATOM 798 CG1 VAL A 51 8.474 -0.837 -4.963 1.00 0.00 C ATOM 799 CG2 VAL A 51 10.040 -0.006 -3.222 1.00 0.00 C ATOM 0 H VAL A 51 12.178 0.603 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 51 11.133 -1.890 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 51 9.809 0.790 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.686 -0.228 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.306 -0.924 -6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.462 -1.829 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.217 0.571 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.082 -0.984 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.978 0.522 -3.052 1.00 0.00 H new ATOM 809 N GLU A 52 10.342 -2.723 -6.887 1.00 0.00 N ATOM 810 CA GLU A 52 10.168 -3.329 -8.199 1.00 0.00 C ATOM 811 C GLU A 52 8.692 -3.384 -8.578 1.00 0.00 C ATOM 812 O GLU A 52 8.270 -2.794 -9.573 1.00 0.00 O ATOM 813 CB GLU A 52 10.766 -4.741 -8.196 1.00 0.00 C ATOM 814 CG GLU A 52 10.755 -5.432 -9.553 1.00 0.00 C ATOM 815 CD GLU A 52 11.635 -4.737 -10.572 1.00 0.00 C ATOM 816 OE1 GLU A 52 11.227 -3.687 -11.105 1.00 0.00 O ATOM 817 OE2 GLU A 52 12.746 -5.243 -10.847 1.00 0.00 O ATOM 0 H GLU A 52 10.202 -3.366 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 52 10.686 -2.718 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.794 -4.686 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.213 -5.355 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.089 -6.463 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.732 -5.470 -9.928 1.00 0.00 H new ATOM 824 N LYS A 53 7.916 -4.098 -7.783 1.00 0.00 N ATOM 825 CA LYS A 53 6.491 -4.232 -8.015 1.00 0.00 C ATOM 826 C LYS A 53 5.735 -4.085 -6.708 1.00 0.00 C ATOM 827 O LYS A 53 6.337 -3.978 -5.645 1.00 0.00 O ATOM 828 CB LYS A 53 6.185 -5.585 -8.660 1.00 0.00 C ATOM 829 CG LYS A 53 6.695 -6.784 -7.871 1.00 0.00 C ATOM 830 CD LYS A 53 6.394 -8.096 -8.579 1.00 0.00 C ATOM 831 CE LYS A 53 4.908 -8.388 -8.636 1.00 0.00 C ATOM 832 NZ LYS A 53 4.612 -9.564 -9.496 1.00 0.00 N ATOM 0 H LYS A 53 8.255 -4.599 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 53 6.168 -3.444 -8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.106 -5.679 -8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.625 -5.607 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.771 -6.690 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.236 -6.791 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.795 -8.060 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.903 -8.910 -8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.534 -8.570 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.380 -7.515 -9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.586 -9.734 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.947 -9.380 -10.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.096 -10.402 -9.116 1.00 0.00 H new ATOM 846 N VAL A 54 4.424 -4.084 -6.794 1.00 0.00 N ATOM 847 CA VAL A 54 3.578 -3.895 -5.630 1.00 0.00 C ATOM 848 C VAL A 54 2.345 -4.783 -5.735 1.00 0.00 C ATOM 849 O VAL A 54 1.922 -5.121 -6.841 1.00 0.00 O ATOM 850 CB VAL A 54 3.181 -2.410 -5.495 1.00 0.00 C ATOM 851 CG1 VAL A 54 1.896 -2.222 -4.712 1.00 0.00 C ATOM 852 CG2 VAL A 54 4.310 -1.652 -4.822 1.00 0.00 C ATOM 0 H VAL A 54 3.913 -4.213 -7.667 1.00 0.00 H new ATOM 0 HA VAL A 54 4.131 -4.180 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 54 3.004 -2.021 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.662 -1.159 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.082 -2.742 -5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.019 -2.629 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.035 -0.602 -4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.493 -2.073 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.214 -1.736 -5.425 1.00 0.00 H new ATOM 862 N VAL A 55 1.786 -5.174 -4.596 1.00 0.00 N ATOM 863 CA VAL A 55 0.648 -6.072 -4.585 1.00 0.00 C ATOM 864 C VAL A 55 -0.318 -5.716 -3.457 1.00 0.00 C ATOM 865 O VAL A 55 0.088 -5.244 -2.393 1.00 0.00 O ATOM 866 CB VAL A 55 1.106 -7.549 -4.471 1.00 0.00 C ATOM 867 CG1 VAL A 55 0.521 -8.233 -3.247 1.00 0.00 C ATOM 868 CG2 VAL A 55 0.735 -8.313 -5.729 1.00 0.00 C ATOM 0 H VAL A 55 2.105 -4.882 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 55 0.121 -5.954 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 55 2.190 -7.548 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.868 -9.266 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.842 -7.707 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.567 -8.218 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.062 -9.348 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.346 -8.285 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.222 -7.855 -6.590 1.00 0.00 H new ATOM 878 N PHE A 56 -1.597 -5.936 -3.711 1.00 0.00 N ATOM 879 CA PHE A 56 -2.637 -5.718 -2.724 1.00 0.00 C ATOM 880 C PHE A 56 -3.472 -6.977 -2.596 1.00 0.00 C ATOM 881 O PHE A 56 -3.892 -7.533 -3.600 1.00 0.00 O ATOM 882 CB PHE A 56 -3.544 -4.548 -3.135 1.00 0.00 C ATOM 883 CG PHE A 56 -2.957 -3.187 -2.892 1.00 0.00 C ATOM 884 CD1 PHE A 56 -1.943 -2.696 -3.700 1.00 0.00 C ATOM 885 CD2 PHE A 56 -3.430 -2.394 -1.861 1.00 0.00 C ATOM 886 CE1 PHE A 56 -1.411 -1.443 -3.483 1.00 0.00 C ATOM 887 CE2 PHE A 56 -2.899 -1.137 -1.641 1.00 0.00 C ATOM 888 CZ PHE A 56 -1.888 -0.661 -2.453 1.00 0.00 C ATOM 0 H PHE A 56 -1.943 -6.272 -4.610 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.169 -5.476 -1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.780 -4.643 -4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.485 -4.626 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.565 -3.303 -4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.221 -2.760 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.621 -1.074 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.275 -0.526 -0.833 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.473 0.321 -2.281 1.00 0.00 H new ATOM 898 N HIS A 57 -3.683 -7.447 -1.378 1.00 0.00 N ATOM 899 CA HIS A 57 -4.574 -8.581 -1.154 1.00 0.00 C ATOM 900 C HIS A 57 -5.851 -8.076 -0.513 1.00 0.00 C ATOM 901 O HIS A 57 -5.963 -8.023 0.712 1.00 0.00 O ATOM 902 CB HIS A 57 -3.943 -9.648 -0.247 1.00 0.00 C ATOM 903 CG HIS A 57 -2.626 -10.180 -0.720 1.00 0.00 C ATOM 904 ND1 HIS A 57 -2.450 -11.480 -1.139 1.00 0.00 N ATOM 905 CD2 HIS A 57 -1.408 -9.598 -0.795 1.00 0.00 C ATOM 906 CE1 HIS A 57 -1.184 -11.673 -1.447 1.00 0.00 C ATOM 907 NE2 HIS A 57 -0.528 -10.547 -1.245 1.00 0.00 N ATOM 0 H HIS A 57 -3.255 -7.067 -0.533 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.774 -9.047 -2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.811 -9.225 0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -4.641 -10.480 -0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.172 -8.574 -0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.755 -12.598 -1.805 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.470 -10.406 -1.399 1.00 0.00 H new ATOM 916 N LEU A 58 -6.798 -7.674 -1.342 1.00 0.00 N ATOM 917 CA LEU A 58 -8.080 -7.179 -0.848 1.00 0.00 C ATOM 918 C LEU A 58 -8.872 -8.328 -0.218 1.00 0.00 C ATOM 919 O LEU A 58 -8.380 -9.454 -0.134 1.00 0.00 O ATOM 920 CB LEU A 58 -8.902 -6.534 -1.974 1.00 0.00 C ATOM 921 CG LEU A 58 -8.113 -5.756 -3.025 1.00 0.00 C ATOM 922 CD1 LEU A 58 -9.063 -5.068 -3.965 1.00 0.00 C ATOM 923 CD2 LEU A 58 -7.152 -4.756 -2.394 1.00 0.00 C ATOM 0 H LEU A 58 -6.708 -7.679 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.881 -6.416 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.465 -7.319 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.630 -5.859 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.505 -6.466 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.497 -4.514 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.688 -5.812 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.694 -4.379 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.612 -4.225 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.714 -4.041 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.442 -5.285 -1.759 1.00 0.00 H new ATOM 935 N HIS A 59 -10.088 -8.059 0.229 1.00 0.00 N ATOM 936 CA HIS A 59 -10.905 -9.107 0.832 1.00 0.00 C ATOM 937 C HIS A 59 -11.382 -10.053 -0.264 1.00 0.00 C ATOM 938 O HIS A 59 -11.695 -9.626 -1.366 1.00 0.00 O ATOM 939 CB HIS A 59 -12.091 -8.497 1.588 1.00 0.00 C ATOM 940 CG HIS A 59 -12.554 -9.317 2.758 1.00 0.00 C ATOM 941 ND1 HIS A 59 -13.882 -9.550 3.045 1.00 0.00 N ATOM 942 CD2 HIS A 59 -11.849 -9.932 3.739 1.00 0.00 C ATOM 943 CE1 HIS A 59 -13.973 -10.268 4.150 1.00 0.00 C ATOM 944 NE2 HIS A 59 -12.756 -10.513 4.589 1.00 0.00 N ATOM 0 H HIS A 59 -10.529 -7.140 0.189 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.310 -9.667 1.554 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.812 -7.504 1.940 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.923 -8.368 0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -10.774 -9.960 3.834 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.890 -10.598 4.615 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.525 -11.048 5.426 1.00 0.00 H new ATOM 953 N GLU A 60 -11.400 -11.339 0.058 1.00 0.00 N ATOM 954 CA GLU A 60 -11.645 -12.413 -0.916 1.00 0.00 C ATOM 955 C GLU A 60 -12.945 -12.239 -1.697 1.00 0.00 C ATOM 956 O GLU A 60 -13.067 -12.738 -2.817 1.00 0.00 O ATOM 957 CB GLU A 60 -11.657 -13.764 -0.204 1.00 0.00 C ATOM 958 CG GLU A 60 -10.313 -14.152 0.387 1.00 0.00 C ATOM 959 CD GLU A 60 -9.243 -14.322 -0.668 1.00 0.00 C ATOM 960 OE1 GLU A 60 -9.240 -15.364 -1.356 1.00 0.00 O ATOM 961 OE2 GLU A 60 -8.398 -13.419 -0.819 1.00 0.00 O ATOM 0 H GLU A 60 -11.245 -11.677 1.008 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.832 -12.366 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.401 -13.739 0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.970 -14.534 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.999 -13.388 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.420 -15.083 0.944 1.00 0.00 H new ATOM 968 N SER A 61 -13.916 -11.564 -1.097 1.00 0.00 N ATOM 969 CA SER A 61 -15.184 -11.295 -1.759 1.00 0.00 C ATOM 970 C SER A 61 -14.993 -10.325 -2.927 1.00 0.00 C ATOM 971 O SER A 61 -15.818 -10.272 -3.843 1.00 0.00 O ATOM 972 CB SER A 61 -16.187 -10.731 -0.753 1.00 0.00 C ATOM 973 OG SER A 61 -17.486 -10.630 -1.314 1.00 0.00 O ATOM 0 H SER A 61 -13.849 -11.192 -0.150 1.00 0.00 H new ATOM 0 HA SER A 61 -15.573 -12.231 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.219 -11.372 0.128 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.856 -9.747 -0.420 1.00 0.00 H new ATOM 0 HG SER A 61 -18.104 -10.268 -0.645 1.00 0.00 H new ATOM 979 N PHE A 62 -13.903 -9.569 -2.897 1.00 0.00 N ATOM 980 CA PHE A 62 -13.553 -8.689 -4.000 1.00 0.00 C ATOM 981 C PHE A 62 -13.047 -9.536 -5.159 1.00 0.00 C ATOM 982 O PHE A 62 -12.252 -10.452 -4.952 1.00 0.00 O ATOM 983 CB PHE A 62 -12.462 -7.695 -3.580 1.00 0.00 C ATOM 984 CG PHE A 62 -12.904 -6.647 -2.592 1.00 0.00 C ATOM 985 CD1 PHE A 62 -13.209 -6.982 -1.284 1.00 0.00 C ATOM 986 CD2 PHE A 62 -12.993 -5.322 -2.974 1.00 0.00 C ATOM 987 CE1 PHE A 62 -13.597 -6.012 -0.378 1.00 0.00 C ATOM 988 CE2 PHE A 62 -13.383 -4.348 -2.077 1.00 0.00 C ATOM 989 CZ PHE A 62 -13.685 -4.693 -0.776 1.00 0.00 C ATOM 0 H PHE A 62 -13.245 -9.549 -2.117 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.436 -8.124 -4.298 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.630 -8.252 -3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.083 -7.196 -4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.143 -8.012 -0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.754 -5.044 -3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -13.831 -6.286 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.452 -3.318 -2.393 1.00 0.00 H new ATOM 0 HZ PHE A 62 -13.989 -3.934 -0.071 1.00 0.00 H new ATOM 999 N PRO A 63 -13.518 -9.271 -6.386 1.00 0.00 N ATOM 1000 CA PRO A 63 -13.086 -10.022 -7.566 1.00 0.00 C ATOM 1001 C PRO A 63 -11.583 -9.940 -7.764 1.00 0.00 C ATOM 1002 O PRO A 63 -11.045 -8.849 -7.976 1.00 0.00 O ATOM 1003 CB PRO A 63 -13.802 -9.329 -8.725 1.00 0.00 C ATOM 1004 CG PRO A 63 -14.961 -8.635 -8.099 1.00 0.00 C ATOM 1005 CD PRO A 63 -14.507 -8.235 -6.722 1.00 0.00 C ATOM 0 HA PRO A 63 -13.321 -11.083 -7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.144 -8.622 -9.230 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.130 -10.050 -9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.255 -7.762 -8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -15.829 -9.292 -8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.065 -7.238 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.334 -8.221 -6.012 1.00 0.00 H new ATOM 1013 N ARG A 64 -10.917 -11.094 -7.692 1.00 0.00 N ATOM 1014 CA ARG A 64 -9.466 -11.175 -7.863 1.00 0.00 C ATOM 1015 C ARG A 64 -8.782 -10.161 -6.948 1.00 0.00 C ATOM 1016 O ARG A 64 -8.240 -9.168 -7.419 1.00 0.00 O ATOM 1017 CB ARG A 64 -9.093 -10.901 -9.322 1.00 0.00 C ATOM 1018 CG ARG A 64 -10.050 -11.530 -10.322 1.00 0.00 C ATOM 1019 CD ARG A 64 -9.643 -11.226 -11.749 1.00 0.00 C ATOM 1020 NE ARG A 64 -9.714 -9.797 -12.045 1.00 0.00 N ATOM 1021 CZ ARG A 64 -9.755 -9.288 -13.272 1.00 0.00 C ATOM 1022 NH1 ARG A 64 -9.756 -10.090 -14.330 1.00 0.00 N ATOM 1023 NH2 ARG A 64 -9.801 -7.970 -13.437 1.00 0.00 N ATOM 0 H ARG A 64 -11.365 -11.993 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.131 -12.178 -7.598 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.066 -9.824 -9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.087 -11.277 -9.508 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.076 -12.609 -10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.059 -11.159 -10.144 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.627 -11.582 -11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.291 -11.771 -12.435 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.733 -9.148 -11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.725 -11.102 -14.203 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.788 -9.695 -15.270 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.805 -7.354 -12.624 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.833 -7.574 -14.377 1.00 0.00 H new ATOM 1037 N PRO A 65 -8.794 -10.404 -5.627 1.00 0.00 N ATOM 1038 CA PRO A 65 -8.421 -9.393 -4.632 1.00 0.00 C ATOM 1039 C PRO A 65 -6.963 -8.968 -4.711 1.00 0.00 C ATOM 1040 O PRO A 65 -6.587 -7.915 -4.209 1.00 0.00 O ATOM 1041 CB PRO A 65 -8.701 -10.077 -3.295 1.00 0.00 C ATOM 1042 CG PRO A 65 -8.659 -11.535 -3.588 1.00 0.00 C ATOM 1043 CD PRO A 65 -9.143 -11.688 -5.002 1.00 0.00 C ATOM 0 HA PRO A 65 -8.981 -8.471 -4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.955 -9.803 -2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.672 -9.783 -2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.648 -11.926 -3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.293 -12.090 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.656 -12.524 -5.504 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.216 -11.874 -5.041 1.00 0.00 H new ATOM 1051 N LYS A 66 -6.148 -9.789 -5.332 1.00 0.00 N ATOM 1052 CA LYS A 66 -4.751 -9.470 -5.506 1.00 0.00 C ATOM 1053 C LYS A 66 -4.562 -8.560 -6.703 1.00 0.00 C ATOM 1054 O LYS A 66 -4.722 -8.975 -7.850 1.00 0.00 O ATOM 1055 CB LYS A 66 -3.912 -10.730 -5.666 1.00 0.00 C ATOM 1056 CG LYS A 66 -2.435 -10.438 -5.868 1.00 0.00 C ATOM 1057 CD LYS A 66 -1.615 -11.711 -5.887 1.00 0.00 C ATOM 1058 CE LYS A 66 -0.567 -11.685 -6.988 1.00 0.00 C ATOM 1059 NZ LYS A 66 -1.181 -11.779 -8.341 1.00 0.00 N ATOM 0 H LYS A 66 -6.431 -10.686 -5.726 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.413 -8.951 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.035 -11.357 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.283 -11.302 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.294 -9.899 -6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.079 -9.787 -5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.126 -11.844 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.274 -12.567 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.013 -10.765 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.129 -12.512 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.457 -12.062 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.943 -12.487 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.573 -10.854 -8.610 1.00 0.00 H new ATOM 1073 N ARG A 67 -4.247 -7.313 -6.429 1.00 0.00 N ATOM 1074 CA ARG A 67 -3.979 -6.353 -7.479 1.00 0.00 C ATOM 1075 C ARG A 67 -2.504 -6.012 -7.471 1.00 0.00 C ATOM 1076 O ARG A 67 -1.944 -5.714 -6.419 1.00 0.00 O ATOM 1077 CB ARG A 67 -4.819 -5.092 -7.275 1.00 0.00 C ATOM 1078 CG ARG A 67 -6.268 -5.382 -6.919 1.00 0.00 C ATOM 1079 CD ARG A 67 -6.920 -6.294 -7.949 1.00 0.00 C ATOM 1080 NE ARG A 67 -8.321 -6.574 -7.646 1.00 0.00 N ATOM 1081 CZ ARG A 67 -9.331 -5.723 -7.824 1.00 0.00 C ATOM 1082 NH1 ARG A 67 -9.121 -4.493 -8.280 1.00 0.00 N ATOM 1083 NH2 ARG A 67 -10.570 -6.116 -7.551 1.00 0.00 N ATOM 0 H ARG A 67 -4.170 -6.938 -5.484 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.247 -6.785 -8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.372 -4.491 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.789 -4.493 -8.185 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.316 -5.848 -5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.823 -4.446 -6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.851 -5.832 -8.934 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.368 -7.233 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.544 -7.495 -7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.174 -4.186 -8.500 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.907 -3.856 -8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.741 -7.061 -7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.350 -5.472 -7.684 1.00 0.00 H new ATOM 1097 N VAL A 68 -1.869 -6.080 -8.625 1.00 0.00 N ATOM 1098 CA VAL A 68 -0.444 -5.831 -8.705 1.00 0.00 C ATOM 1099 C VAL A 68 -0.185 -4.514 -9.428 1.00 0.00 C ATOM 1100 O VAL A 68 -0.931 -4.131 -10.333 1.00 0.00 O ATOM 1101 CB VAL A 68 0.312 -6.993 -9.408 1.00 0.00 C ATOM 1102 CG1 VAL A 68 -0.321 -8.342 -9.080 1.00 0.00 C ATOM 1103 CG2 VAL A 68 0.381 -6.785 -10.909 1.00 0.00 C ATOM 0 H VAL A 68 -2.314 -6.304 -9.515 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.061 -5.766 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 68 1.332 -6.994 -9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.230 -9.135 -9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.288 -8.507 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.358 -8.349 -9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.916 -7.617 -11.367 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.629 -6.735 -11.316 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.905 -5.854 -11.124 1.00 0.00 H new ATOM 1113 N CYS A 69 0.840 -3.801 -9.001 1.00 0.00 N ATOM 1114 CA CYS A 69 1.237 -2.575 -9.656 1.00 0.00 C ATOM 1115 C CYS A 69 2.721 -2.625 -9.994 1.00 0.00 C ATOM 1116 O CYS A 69 3.574 -2.625 -9.110 1.00 0.00 O ATOM 1117 CB CYS A 69 0.912 -1.369 -8.769 1.00 0.00 C ATOM 1118 SG CYS A 69 -0.857 -1.074 -8.557 1.00 0.00 S ATOM 0 H CYS A 69 1.415 -4.055 -8.197 1.00 0.00 H new ATOM 0 HA CYS A 69 0.678 -2.468 -10.585 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.366 -1.518 -7.789 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.370 -0.479 -9.200 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.126 -0.941 -7.292 1.00 0.00 H new ATOM 1124 N LYS A 70 3.011 -2.722 -11.280 1.00 0.00 N ATOM 1125 CA LYS A 70 4.383 -2.736 -11.773 1.00 0.00 C ATOM 1126 C LYS A 70 4.731 -1.345 -12.310 1.00 0.00 C ATOM 1127 O LYS A 70 5.786 -1.134 -12.914 1.00 0.00 O ATOM 1128 CB LYS A 70 4.513 -3.754 -12.915 1.00 0.00 C ATOM 1129 CG LYS A 70 3.859 -5.103 -12.639 1.00 0.00 C ATOM 1130 CD LYS A 70 3.657 -5.886 -13.928 1.00 0.00 C ATOM 1131 CE LYS A 70 3.099 -7.274 -13.661 1.00 0.00 C ATOM 1132 NZ LYS A 70 4.130 -8.194 -13.110 1.00 0.00 N ATOM 0 H LYS A 70 2.305 -2.793 -12.013 1.00 0.00 H new ATOM 0 HA LYS A 70 5.058 -3.010 -10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.071 -3.328 -13.816 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.571 -3.914 -13.123 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.481 -5.679 -11.953 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.898 -4.951 -12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.977 -5.340 -14.583 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.607 -5.971 -14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.267 -7.201 -12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.701 -7.689 -14.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.716 -9.138 -12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.928 -8.258 -13.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.468 -7.830 -12.196 1.00 0.00 H new ATOM 1146 N ASP A 71 3.809 -0.413 -12.099 1.00 0.00 N ATOM 1147 CA ASP A 71 3.876 0.920 -12.690 1.00 0.00 C ATOM 1148 C ASP A 71 4.254 1.967 -11.641 1.00 0.00 C ATOM 1149 O ASP A 71 4.431 1.626 -10.477 1.00 0.00 O ATOM 1150 CB ASP A 71 2.508 1.281 -13.289 1.00 0.00 C ATOM 1151 CG ASP A 71 2.193 0.527 -14.563 1.00 0.00 C ATOM 1152 OD1 ASP A 71 1.794 -0.655 -14.482 1.00 0.00 O ATOM 1153 OD2 ASP A 71 2.320 1.120 -15.656 1.00 0.00 O ATOM 0 H ASP A 71 2.989 -0.561 -11.510 1.00 0.00 H new ATOM 0 HA ASP A 71 4.640 0.913 -13.467 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.731 1.076 -12.552 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.480 2.351 -13.492 1.00 0.00 H new ATOM 1158 N PRO A 72 4.451 3.241 -12.054 1.00 0.00 N ATOM 1159 CA PRO A 72 4.420 4.417 -11.142 1.00 0.00 C ATOM 1160 C PRO A 72 3.215 4.390 -10.151 1.00 0.00 C ATOM 1161 O PRO A 72 2.515 3.380 -10.093 1.00 0.00 O ATOM 1162 CB PRO A 72 4.330 5.567 -12.147 1.00 0.00 C ATOM 1163 CG PRO A 72 5.150 5.100 -13.291 1.00 0.00 C ATOM 1164 CD PRO A 72 4.835 3.640 -13.428 1.00 0.00 C ATOM 0 HA PRO A 72 5.277 4.476 -10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.299 5.758 -12.445 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.718 6.496 -11.729 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.901 5.644 -14.202 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.212 5.258 -13.105 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.025 3.469 -14.137 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.696 3.075 -13.785 1.00 0.00 H new ATOM 1172 N PRO A 73 2.904 5.514 -9.411 1.00 0.00 N ATOM 1173 CA PRO A 73 2.062 5.512 -8.205 1.00 0.00 C ATOM 1174 C PRO A 73 1.158 4.298 -8.055 1.00 0.00 C ATOM 1175 O PRO A 73 0.152 4.145 -8.755 1.00 0.00 O ATOM 1176 CB PRO A 73 1.237 6.768 -8.417 1.00 0.00 C ATOM 1177 CG PRO A 73 2.179 7.725 -9.087 1.00 0.00 C ATOM 1178 CD PRO A 73 3.298 6.904 -9.695 1.00 0.00 C ATOM 0 HA PRO A 73 2.660 5.479 -7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.364 6.570 -9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.871 7.167 -7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.662 8.299 -9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.575 8.441 -8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.390 7.083 -10.766 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.262 7.147 -9.247 1.00 0.00 H new ATOM 1186 N TYR A 74 1.521 3.477 -7.086 1.00 0.00 N ATOM 1187 CA TYR A 74 0.919 2.173 -6.885 1.00 0.00 C ATOM 1188 C TYR A 74 -0.371 2.326 -6.096 1.00 0.00 C ATOM 1189 O TYR A 74 -0.385 2.933 -5.022 1.00 0.00 O ATOM 1190 CB TYR A 74 1.906 1.268 -6.143 1.00 0.00 C ATOM 1191 CG TYR A 74 3.308 1.259 -6.741 1.00 0.00 C ATOM 1192 CD1 TYR A 74 4.164 2.344 -6.579 1.00 0.00 C ATOM 1193 CD2 TYR A 74 3.775 0.170 -7.460 1.00 0.00 C ATOM 1194 CE1 TYR A 74 5.434 2.340 -7.119 1.00 0.00 C ATOM 1195 CE2 TYR A 74 5.050 0.159 -8.002 1.00 0.00 C ATOM 1196 CZ TYR A 74 5.873 1.247 -7.827 1.00 0.00 C ATOM 1197 OH TYR A 74 7.137 1.244 -8.369 1.00 0.00 O ATOM 0 H TYR A 74 2.251 3.700 -6.409 1.00 0.00 H new ATOM 0 HA TYR A 74 0.684 1.718 -7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.967 1.590 -5.103 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.517 0.250 -6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.828 3.205 -6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.133 -0.687 -7.600 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.082 3.194 -6.985 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.396 -0.699 -8.559 1.00 0.00 H new ATOM 0 HH TYR A 74 7.290 0.397 -8.837 1.00 0.00 H new ATOM 1207 N LYS A 75 -1.447 1.780 -6.633 1.00 0.00 N ATOM 1208 CA LYS A 75 -2.775 2.026 -6.101 1.00 0.00 C ATOM 1209 C LYS A 75 -3.741 0.921 -6.484 1.00 0.00 C ATOM 1210 O LYS A 75 -3.545 0.211 -7.471 1.00 0.00 O ATOM 1211 CB LYS A 75 -3.302 3.352 -6.652 1.00 0.00 C ATOM 1212 CG LYS A 75 -3.127 3.477 -8.158 1.00 0.00 C ATOM 1213 CD LYS A 75 -4.024 4.551 -8.751 1.00 0.00 C ATOM 1214 CE LYS A 75 -3.416 5.925 -8.607 1.00 0.00 C ATOM 1215 NZ LYS A 75 -2.179 6.071 -9.421 1.00 0.00 N ATOM 0 H LYS A 75 -1.426 1.159 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.701 2.060 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.359 3.448 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.784 4.176 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.086 3.710 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.349 2.519 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.198 4.338 -9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.995 4.529 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.143 6.678 -8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.185 6.112 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.877 7.066 -9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.426 5.479 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.369 5.770 -10.398 1.00 0.00 H new ATOM 1229 N VAL A 76 -4.782 0.792 -5.689 1.00 0.00 N ATOM 1230 CA VAL A 76 -5.903 -0.077 -6.018 1.00 0.00 C ATOM 1231 C VAL A 76 -7.204 0.703 -5.945 1.00 0.00 C ATOM 1232 O VAL A 76 -7.517 1.310 -4.923 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.002 -1.316 -5.105 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -7.391 -1.918 -5.191 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -4.970 -2.354 -5.497 1.00 0.00 C ATOM 0 H VAL A 76 -4.880 1.282 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.726 -0.436 -7.032 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.809 -1.001 -4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.450 -2.792 -4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.128 -1.180 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.596 -2.215 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.057 -3.220 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.138 -2.663 -6.529 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.971 -1.927 -5.404 1.00 0.00 H new ATOM 1245 N GLU A 77 -7.934 0.702 -7.042 1.00 0.00 N ATOM 1246 CA GLU A 77 -9.235 1.335 -7.109 1.00 0.00 C ATOM 1247 C GLU A 77 -10.309 0.268 -7.121 1.00 0.00 C ATOM 1248 O GLU A 77 -10.371 -0.542 -8.042 1.00 0.00 O ATOM 1249 CB GLU A 77 -9.332 2.189 -8.366 1.00 0.00 C ATOM 1250 CG GLU A 77 -8.118 3.059 -8.584 1.00 0.00 C ATOM 1251 CD GLU A 77 -8.263 3.976 -9.778 1.00 0.00 C ATOM 1252 OE1 GLU A 77 -8.838 5.074 -9.628 1.00 0.00 O ATOM 1253 OE2 GLU A 77 -7.804 3.600 -10.875 1.00 0.00 O ATOM 0 H GLU A 77 -7.641 0.261 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.373 1.977 -6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.466 1.539 -9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.218 2.821 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.940 3.658 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.242 2.425 -8.722 1.00 0.00 H new ATOM 1260 N GLU A 78 -11.145 0.262 -6.100 1.00 0.00 N ATOM 1261 CA GLU A 78 -12.155 -0.775 -5.967 1.00 0.00 C ATOM 1262 C GLU A 78 -13.466 -0.220 -5.450 1.00 0.00 C ATOM 1263 O GLU A 78 -13.601 0.983 -5.210 1.00 0.00 O ATOM 1264 CB GLU A 78 -11.673 -1.883 -5.029 1.00 0.00 C ATOM 1265 CG GLU A 78 -11.132 -3.106 -5.745 1.00 0.00 C ATOM 1266 CD GLU A 78 -12.072 -3.631 -6.811 1.00 0.00 C ATOM 1267 OE1 GLU A 78 -13.109 -4.215 -6.455 1.00 0.00 O ATOM 1268 OE2 GLU A 78 -11.764 -3.490 -8.012 1.00 0.00 O ATOM 0 H GLU A 78 -11.147 0.958 -5.354 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.322 -1.185 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.896 -1.482 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.500 -2.187 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.174 -2.858 -6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.943 -3.893 -5.015 1.00 0.00 H new ATOM 1275 N SER A 79 -14.420 -1.119 -5.279 1.00 0.00 N ATOM 1276 CA SER A 79 -15.744 -0.760 -4.825 1.00 0.00 C ATOM 1277 C SER A 79 -16.308 -1.887 -3.962 1.00 0.00 C ATOM 1278 O SER A 79 -16.101 -3.067 -4.251 1.00 0.00 O ATOM 1279 CB SER A 79 -16.642 -0.481 -6.037 1.00 0.00 C ATOM 1280 OG SER A 79 -17.883 0.087 -5.653 1.00 0.00 O ATOM 0 H SER A 79 -14.294 -2.116 -5.452 1.00 0.00 H new ATOM 0 HA SER A 79 -15.701 0.145 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.129 0.195 -6.721 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.820 -1.410 -6.579 1.00 0.00 H new ATOM 0 HG SER A 79 -17.863 1.054 -5.812 1.00 0.00 H new ATOM 1286 N GLY A 80 -17.000 -1.514 -2.898 1.00 0.00 N ATOM 1287 CA GLY A 80 -17.521 -2.476 -1.947 1.00 0.00 C ATOM 1288 C GLY A 80 -18.555 -1.834 -1.050 1.00 0.00 C ATOM 1289 O GLY A 80 -19.207 -0.883 -1.459 1.00 0.00 O ATOM 0 H GLY A 80 -17.214 -0.543 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.966 -3.317 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.706 -2.876 -1.343 1.00 0.00 H new ATOM 1293 N TYR A 81 -18.716 -2.321 0.169 1.00 0.00 N ATOM 1294 CA TYR A 81 -19.695 -1.722 1.072 1.00 0.00 C ATOM 1295 C TYR A 81 -19.236 -1.738 2.525 1.00 0.00 C ATOM 1296 O TYR A 81 -20.047 -1.540 3.431 1.00 0.00 O ATOM 1297 CB TYR A 81 -21.064 -2.406 0.938 1.00 0.00 C ATOM 1298 CG TYR A 81 -21.044 -3.915 1.118 1.00 0.00 C ATOM 1299 CD1 TYR A 81 -21.224 -4.492 2.371 1.00 0.00 C ATOM 1300 CD2 TYR A 81 -20.861 -4.763 0.032 1.00 0.00 C ATOM 1301 CE1 TYR A 81 -21.221 -5.861 2.536 1.00 0.00 C ATOM 1302 CE2 TYR A 81 -20.861 -6.137 0.190 1.00 0.00 C ATOM 1303 CZ TYR A 81 -21.040 -6.679 1.445 1.00 0.00 C ATOM 1304 OH TYR A 81 -21.045 -8.045 1.611 1.00 0.00 O ATOM 0 H TYR A 81 -18.197 -3.111 0.553 1.00 0.00 H new ATOM 0 HA TYR A 81 -19.792 -0.678 0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -21.743 -1.976 1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -21.474 -2.177 -0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -21.369 -3.855 3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -20.716 -4.342 -0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -21.360 -6.289 3.518 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -20.722 -6.782 -0.665 1.00 0.00 H new ATOM 0 HH TYR A 81 -20.906 -8.480 0.744 1.00 0.00 H new ATOM 1314 N ALA A 82 -17.945 -1.946 2.753 1.00 0.00 N ATOM 1315 CA ALA A 82 -17.417 -1.958 4.108 1.00 0.00 C ATOM 1316 C ALA A 82 -15.901 -1.823 4.120 1.00 0.00 C ATOM 1317 O ALA A 82 -15.241 -2.018 3.098 1.00 0.00 O ATOM 1318 CB ALA A 82 -17.832 -3.233 4.824 1.00 0.00 C ATOM 0 H ALA A 82 -17.251 -2.107 2.023 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.834 -1.098 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.430 -3.229 5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -18.920 -3.289 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -17.444 -4.096 4.283 1.00 0.00 H new ATOM 1324 N GLY A 83 -15.367 -1.481 5.287 1.00 0.00 N ATOM 1325 CA GLY A 83 -13.933 -1.354 5.458 1.00 0.00 C ATOM 1326 C GLY A 83 -13.331 -2.588 6.101 1.00 0.00 C ATOM 1327 O GLY A 83 -14.063 -3.473 6.544 1.00 0.00 O ATOM 0 H GLY A 83 -15.911 -1.287 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.465 -1.184 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.716 -0.481 6.074 1.00 0.00 H new ATOM 1331 N PHE A 84 -12.005 -2.634 6.174 1.00 0.00 N ATOM 1332 CA PHE A 84 -11.284 -3.826 6.618 1.00 0.00 C ATOM 1333 C PHE A 84 -9.773 -3.592 6.566 1.00 0.00 C ATOM 1334 O PHE A 84 -9.304 -2.721 5.837 1.00 0.00 O ATOM 1335 CB PHE A 84 -11.652 -5.033 5.730 1.00 0.00 C ATOM 1336 CG PHE A 84 -11.330 -4.860 4.261 1.00 0.00 C ATOM 1337 CD1 PHE A 84 -12.127 -4.065 3.452 1.00 0.00 C ATOM 1338 CD2 PHE A 84 -10.237 -5.500 3.690 1.00 0.00 C ATOM 1339 CE1 PHE A 84 -11.844 -3.906 2.111 1.00 0.00 C ATOM 1340 CE2 PHE A 84 -9.947 -5.346 2.349 1.00 0.00 C ATOM 1341 CZ PHE A 84 -10.749 -4.547 1.555 1.00 0.00 C ATOM 0 H PHE A 84 -11.400 -1.850 5.929 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.573 -4.036 7.648 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.127 -5.913 6.102 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.719 -5.231 5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.983 -3.562 3.878 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.606 -6.126 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.475 -3.282 1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.093 -5.850 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.523 -4.423 0.506 1.00 0.00 H new ATOM 1351 N ILE A 85 -9.021 -4.341 7.369 1.00 0.00 N ATOM 1352 CA ILE A 85 -7.566 -4.362 7.249 1.00 0.00 C ATOM 1353 C ILE A 85 -7.171 -4.923 5.893 1.00 0.00 C ATOM 1354 O ILE A 85 -7.576 -6.031 5.529 1.00 0.00 O ATOM 1355 CB ILE A 85 -6.899 -5.212 8.360 1.00 0.00 C ATOM 1356 CG1 ILE A 85 -6.920 -4.475 9.697 1.00 0.00 C ATOM 1357 CG2 ILE A 85 -5.466 -5.581 7.985 1.00 0.00 C ATOM 1358 CD1 ILE A 85 -6.104 -3.201 9.704 1.00 0.00 C ATOM 0 H ILE A 85 -9.393 -4.939 8.107 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.218 -3.335 7.355 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.475 -6.132 8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.952 -4.236 9.953 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.544 -5.141 10.474 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.023 -6.177 8.783 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.469 -6.158 7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.881 -4.672 7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.167 -2.734 10.687 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.063 -3.434 9.480 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.493 -2.516 8.951 1.00 0.00 H new ATOM 1370 N LEU A 86 -6.396 -4.159 5.147 1.00 0.00 N ATOM 1371 CA LEU A 86 -5.956 -4.584 3.836 1.00 0.00 C ATOM 1372 C LEU A 86 -4.448 -4.815 3.840 1.00 0.00 C ATOM 1373 O LEU A 86 -3.662 -3.869 3.898 1.00 0.00 O ATOM 1374 CB LEU A 86 -6.342 -3.537 2.791 1.00 0.00 C ATOM 1375 CG LEU A 86 -6.560 -4.090 1.383 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -7.557 -3.240 0.621 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -5.261 -4.140 0.622 1.00 0.00 C ATOM 0 H LEU A 86 -6.058 -3.239 5.429 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.446 -5.523 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.255 -3.038 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.561 -2.778 2.752 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.955 -5.101 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.697 -3.652 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.511 -3.236 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.181 -2.220 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.440 -4.537 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.846 -3.135 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.556 -4.784 1.147 1.00 0.00 H new ATOM 1389 N PRO A 87 -4.038 -6.090 3.828 1.00 0.00 N ATOM 1390 CA PRO A 87 -2.629 -6.478 3.714 1.00 0.00 C ATOM 1391 C PRO A 87 -2.007 -6.040 2.385 1.00 0.00 C ATOM 1392 O PRO A 87 -2.248 -6.652 1.335 1.00 0.00 O ATOM 1393 CB PRO A 87 -2.664 -8.010 3.803 1.00 0.00 C ATOM 1394 CG PRO A 87 -4.069 -8.387 3.476 1.00 0.00 C ATOM 1395 CD PRO A 87 -4.920 -7.256 3.973 1.00 0.00 C ATOM 0 HA PRO A 87 -2.020 -6.007 4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.962 -8.462 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.386 -8.353 4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.196 -8.530 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.345 -9.325 3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.831 -7.148 3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.225 -7.405 5.009 1.00 0.00 H new ATOM 1403 N ILE A 88 -1.219 -4.975 2.431 1.00 0.00 N ATOM 1404 CA ILE A 88 -0.549 -4.464 1.254 1.00 0.00 C ATOM 1405 C ILE A 88 0.905 -4.912 1.245 1.00 0.00 C ATOM 1406 O ILE A 88 1.527 -5.031 2.299 1.00 0.00 O ATOM 1407 CB ILE A 88 -0.609 -2.924 1.202 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.046 -2.455 1.457 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -0.125 -2.445 -0.154 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -2.157 -1.025 1.936 1.00 0.00 C ATOM 0 H ILE A 88 -1.030 -4.447 3.283 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.063 -4.861 0.379 1.00 0.00 H new ATOM 0 HB ILE A 88 0.036 -2.504 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.620 -2.563 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.504 -3.111 2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.167 -1.356 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.902 -2.774 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.762 -2.860 -0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.206 -0.774 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.614 -0.912 2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.731 -0.357 1.188 1.00 0.00 H new ATOM 1422 N GLU A 89 1.442 -5.163 0.063 1.00 0.00 N ATOM 1423 CA GLU A 89 2.821 -5.604 -0.065 1.00 0.00 C ATOM 1424 C GLU A 89 3.568 -4.771 -1.090 1.00 0.00 C ATOM 1425 O GLU A 89 3.067 -4.518 -2.187 1.00 0.00 O ATOM 1426 CB GLU A 89 2.897 -7.074 -0.478 1.00 0.00 C ATOM 1427 CG GLU A 89 2.341 -8.043 0.548 1.00 0.00 C ATOM 1428 CD GLU A 89 2.577 -9.488 0.162 1.00 0.00 C ATOM 1429 OE1 GLU A 89 1.991 -9.953 -0.836 1.00 0.00 O ATOM 1430 OE2 GLU A 89 3.372 -10.166 0.841 1.00 0.00 O ATOM 0 H GLU A 89 0.944 -5.069 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 89 3.285 -5.479 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.354 -7.204 -1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.938 -7.330 -0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.803 -7.848 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.271 -7.871 0.665 1.00 0.00 H new ATOM 1437 N VAL A 90 4.766 -4.350 -0.731 1.00 0.00 N ATOM 1438 CA VAL A 90 5.641 -3.678 -1.672 1.00 0.00 C ATOM 1439 C VAL A 90 6.864 -4.544 -1.934 1.00 0.00 C ATOM 1440 O VAL A 90 7.492 -5.038 -0.994 1.00 0.00 O ATOM 1441 CB VAL A 90 6.094 -2.293 -1.197 1.00 0.00 C ATOM 1442 CG1 VAL A 90 6.819 -1.609 -2.329 1.00 0.00 C ATOM 1443 CG2 VAL A 90 4.904 -1.467 -0.738 1.00 0.00 C ATOM 0 H VAL A 90 5.155 -4.462 0.205 1.00 0.00 H new ATOM 0 HA VAL A 90 5.065 -3.528 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 90 6.766 -2.398 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.148 -0.621 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.686 -2.204 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.148 -1.507 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.248 -0.488 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.205 -1.344 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.404 -1.976 0.086 1.00 0.00 H new ATOM 1453 N TYR A 91 7.179 -4.755 -3.201 1.00 0.00 N ATOM 1454 CA TYR A 91 8.333 -5.579 -3.566 1.00 0.00 C ATOM 1455 C TYR A 91 9.583 -4.739 -3.721 1.00 0.00 C ATOM 1456 O TYR A 91 9.578 -3.698 -4.372 1.00 0.00 O ATOM 1457 CB TYR A 91 8.075 -6.359 -4.850 1.00 0.00 C ATOM 1458 CG TYR A 91 7.320 -7.647 -4.625 1.00 0.00 C ATOM 1459 CD1 TYR A 91 6.183 -7.666 -3.838 1.00 0.00 C ATOM 1460 CD2 TYR A 91 7.756 -8.847 -5.180 1.00 0.00 C ATOM 1461 CE1 TYR A 91 5.504 -8.835 -3.597 1.00 0.00 C ATOM 1462 CE2 TYR A 91 7.070 -10.027 -4.952 1.00 0.00 C ATOM 1463 CZ TYR A 91 5.945 -10.012 -4.155 1.00 0.00 C ATOM 1464 OH TYR A 91 5.270 -11.180 -3.888 1.00 0.00 O ATOM 0 H TYR A 91 6.661 -4.374 -3.992 1.00 0.00 H new ATOM 0 HA TYR A 91 8.487 -6.288 -2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.512 -5.732 -5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.028 -6.584 -5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 91 5.822 -6.745 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.642 -8.857 -5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.625 -8.830 -2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.413 -10.951 -5.394 1.00 0.00 H new ATOM 0 HH TYR A 91 5.704 -11.923 -4.357 1.00 0.00 H new ATOM 1474 N PHE A 92 10.657 -5.232 -3.146 1.00 0.00 N ATOM 1475 CA PHE A 92 11.920 -4.520 -3.110 1.00 0.00 C ATOM 1476 C PHE A 92 12.909 -5.132 -4.107 1.00 0.00 C ATOM 1477 O PHE A 92 12.780 -6.301 -4.470 1.00 0.00 O ATOM 1478 CB PHE A 92 12.495 -4.604 -1.694 1.00 0.00 C ATOM 1479 CG PHE A 92 11.710 -3.835 -0.666 1.00 0.00 C ATOM 1480 CD1 PHE A 92 11.094 -2.644 -1.003 1.00 0.00 C ATOM 1481 CD2 PHE A 92 11.621 -4.283 0.645 1.00 0.00 C ATOM 1482 CE1 PHE A 92 10.410 -1.910 -0.062 1.00 0.00 C ATOM 1483 CE2 PHE A 92 10.925 -3.551 1.591 1.00 0.00 C ATOM 1484 CZ PHE A 92 10.326 -2.365 1.233 1.00 0.00 C ATOM 0 H PHE A 92 10.682 -6.143 -2.687 1.00 0.00 H new ATOM 0 HA PHE A 92 11.754 -3.478 -3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.540 -5.651 -1.393 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.519 -4.232 -1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 92 11.151 -2.285 -2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.098 -5.209 0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.940 -0.978 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.852 -3.909 2.607 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.788 -1.789 1.972 1.00 0.00 H new ATOM 1494 N LYS A 93 13.896 -4.353 -4.548 1.00 0.00 N ATOM 1495 CA LYS A 93 14.913 -4.862 -5.471 1.00 0.00 C ATOM 1496 C LYS A 93 16.200 -5.187 -4.729 1.00 0.00 C ATOM 1497 O LYS A 93 17.064 -4.319 -4.581 1.00 0.00 O ATOM 1498 CB LYS A 93 15.269 -3.820 -6.535 1.00 0.00 C ATOM 1499 CG LYS A 93 14.111 -3.308 -7.359 1.00 0.00 C ATOM 1500 CD LYS A 93 14.549 -2.108 -8.190 1.00 0.00 C ATOM 1501 CE LYS A 93 13.480 -1.697 -9.192 1.00 0.00 C ATOM 1502 NZ LYS A 93 14.057 -1.077 -10.410 1.00 0.00 N ATOM 0 H LYS A 93 14.014 -3.375 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 93 14.492 -5.754 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.745 -2.972 -6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.008 -4.253 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.743 -4.098 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.286 -3.026 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.771 -1.269 -7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.471 -2.349 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.895 -2.572 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.794 -0.994 -8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.291 -0.814 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.594 -0.226 -10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.692 -1.755 -10.877 1.00 0.00 H new ATOM 1516 N ASN A 94 16.347 -6.415 -4.270 1.00 0.00 N ATOM 1517 CA ASN A 94 17.594 -6.828 -3.648 1.00 0.00 C ATOM 1518 C ASN A 94 17.762 -8.344 -3.674 1.00 0.00 C ATOM 1519 O ASN A 94 16.836 -9.083 -4.012 1.00 0.00 O ATOM 1520 CB ASN A 94 17.691 -6.288 -2.216 1.00 0.00 C ATOM 1521 CG ASN A 94 16.634 -6.836 -1.281 1.00 0.00 C ATOM 1522 OD1 ASN A 94 15.530 -7.188 -1.692 1.00 0.00 O ATOM 1523 ND2 ASN A 94 16.969 -6.888 -0.005 1.00 0.00 N ATOM 0 H ASN A 94 15.629 -7.138 -4.314 1.00 0.00 H new ATOM 0 HA ASN A 94 18.410 -6.402 -4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.676 -6.526 -1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 94 17.611 -5.201 -2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.300 -7.231 0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.897 -6.585 0.291 1.00 0.00 H new ATOM 1530 N LYS A 95 18.964 -8.792 -3.334 1.00 0.00 N ATOM 1531 CA LYS A 95 19.280 -10.212 -3.242 1.00 0.00 C ATOM 1532 C LYS A 95 19.543 -10.584 -1.787 1.00 0.00 C ATOM 1533 O LYS A 95 19.817 -11.736 -1.450 1.00 0.00 O ATOM 1534 CB LYS A 95 20.497 -10.532 -4.101 1.00 0.00 C ATOM 1535 CG LYS A 95 20.247 -10.363 -5.592 1.00 0.00 C ATOM 1536 CD LYS A 95 19.744 -11.647 -6.241 1.00 0.00 C ATOM 1537 CE LYS A 95 18.357 -12.035 -5.754 1.00 0.00 C ATOM 1538 NZ LYS A 95 17.912 -13.330 -6.329 1.00 0.00 N ATOM 0 H LYS A 95 19.749 -8.179 -3.114 1.00 0.00 H new ATOM 0 HA LYS A 95 18.435 -10.795 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 95 21.322 -9.885 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 95 20.810 -11.558 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.517 -9.569 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 95 21.170 -10.049 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 95 19.724 -11.521 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.441 -12.457 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.360 -12.102 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.646 -11.254 -6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.962 -13.560 -5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.885 -13.258 -7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.577 -14.080 -6.051 1.00 0.00 H new ATOM 1552 N GLU A 96 19.459 -9.571 -0.947 1.00 0.00 N ATOM 1553 CA GLU A 96 19.705 -9.682 0.484 1.00 0.00 C ATOM 1554 C GLU A 96 18.373 -9.727 1.237 1.00 0.00 C ATOM 1555 O GLU A 96 17.411 -10.295 0.724 1.00 0.00 O ATOM 1556 CB GLU A 96 20.614 -8.523 0.986 1.00 0.00 C ATOM 1557 CG GLU A 96 20.556 -7.260 0.139 1.00 0.00 C ATOM 1558 CD GLU A 96 21.257 -7.413 -1.198 1.00 0.00 C ATOM 1559 OE1 GLU A 96 22.406 -7.899 -1.226 1.00 0.00 O ATOM 1560 OE2 GLU A 96 20.655 -7.059 -2.229 1.00 0.00 O ATOM 0 H GLU A 96 19.213 -8.626 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 96 20.239 -10.611 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 96 20.330 -8.273 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.645 -8.876 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 96 19.514 -6.991 -0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 96 21.012 -6.438 0.690 1.00 0.00 H new ATOM 1567 N GLU A 97 18.371 -9.215 2.479 1.00 0.00 N ATOM 1568 CA GLU A 97 17.197 -9.205 3.386 1.00 0.00 C ATOM 1569 C GLU A 97 15.836 -9.054 2.677 1.00 0.00 C ATOM 1570 O GLU A 97 15.772 -8.588 1.547 1.00 0.00 O ATOM 1571 CB GLU A 97 17.340 -8.069 4.400 1.00 0.00 C ATOM 1572 CG GLU A 97 18.525 -8.221 5.340 1.00 0.00 C ATOM 1573 CD GLU A 97 18.499 -9.525 6.104 1.00 0.00 C ATOM 1574 OE1 GLU A 97 17.904 -9.565 7.200 1.00 0.00 O ATOM 1575 OE2 GLU A 97 19.081 -10.516 5.614 1.00 0.00 O ATOM 0 H GLU A 97 19.198 -8.787 2.894 1.00 0.00 H new ATOM 0 HA GLU A 97 17.194 -10.184 3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 97 17.436 -7.126 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.426 -8.007 4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.449 -8.159 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.532 -7.391 6.046 1.00 0.00 H new ATOM 1582 N PRO A 98 14.720 -9.370 3.382 1.00 0.00 N ATOM 1583 CA PRO A 98 13.380 -9.512 2.795 1.00 0.00 C ATOM 1584 C PRO A 98 13.094 -8.566 1.630 1.00 0.00 C ATOM 1585 O PRO A 98 13.146 -7.341 1.768 1.00 0.00 O ATOM 1586 CB PRO A 98 12.432 -9.224 3.975 1.00 0.00 C ATOM 1587 CG PRO A 98 13.319 -8.914 5.135 1.00 0.00 C ATOM 1588 CD PRO A 98 14.638 -9.564 4.829 1.00 0.00 C ATOM 0 HA PRO A 98 13.260 -10.501 2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.771 -8.386 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.796 -10.084 4.186 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.434 -7.838 5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.898 -9.301 6.063 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.464 -9.087 5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.651 -10.619 5.104 1.00 0.00 H new ATOM 1596 N ARG A 99 12.767 -9.165 0.493 1.00 0.00 N ATOM 1597 CA ARG A 99 12.537 -8.435 -0.749 1.00 0.00 C ATOM 1598 C ARG A 99 11.099 -7.983 -0.835 1.00 0.00 C ATOM 1599 O ARG A 99 10.592 -7.634 -1.901 1.00 0.00 O ATOM 1600 CB ARG A 99 12.853 -9.339 -1.926 1.00 0.00 C ATOM 1601 CG ARG A 99 14.167 -10.055 -1.751 1.00 0.00 C ATOM 1602 CD ARG A 99 14.522 -10.901 -2.965 1.00 0.00 C ATOM 1603 NE ARG A 99 13.507 -11.918 -3.242 1.00 0.00 N ATOM 1604 CZ ARG A 99 12.892 -12.065 -4.417 1.00 0.00 C ATOM 1605 NH1 ARG A 99 13.114 -11.200 -5.400 1.00 0.00 N ATOM 1606 NH2 ARG A 99 12.040 -13.066 -4.597 1.00 0.00 N ATOM 0 H ARG A 99 12.653 -10.175 0.404 1.00 0.00 H new ATOM 0 HA ARG A 99 13.183 -7.557 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.054 -10.071 -2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.882 -8.747 -2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 99 14.957 -9.325 -1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.118 -10.691 -0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.635 -10.255 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.485 -11.385 -2.800 1.00 0.00 H new ATOM 0 HE ARG A 99 13.253 -12.556 -2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.756 -10.420 -5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.642 -11.315 -6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.856 -13.722 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.569 -13.180 -5.495 1.00 0.00 H new ATOM 1620 N LYS A 100 10.446 -8.020 0.295 1.00 0.00 N ATOM 1621 CA LYS A 100 9.047 -7.654 0.375 1.00 0.00 C ATOM 1622 C LYS A 100 8.699 -7.118 1.746 1.00 0.00 C ATOM 1623 O LYS A 100 9.193 -7.604 2.764 1.00 0.00 O ATOM 1624 CB LYS A 100 8.160 -8.854 0.033 1.00 0.00 C ATOM 1625 CG LYS A 100 8.527 -10.121 0.796 1.00 0.00 C ATOM 1626 CD LYS A 100 7.826 -11.367 0.251 1.00 0.00 C ATOM 1627 CE LYS A 100 6.325 -11.374 0.519 1.00 0.00 C ATOM 1628 NZ LYS A 100 5.549 -10.717 -0.567 1.00 0.00 N ATOM 0 H LYS A 100 10.860 -8.302 1.184 1.00 0.00 H new ATOM 0 HA LYS A 100 8.866 -6.863 -0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.122 -8.600 0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.227 -9.052 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.606 -10.268 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.267 -9.994 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.998 -11.432 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.273 -12.254 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.984 -12.403 0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.125 -10.866 1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.532 -10.822 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.791 -9.706 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.781 -11.162 -1.478 1.00 0.00 H new ATOM 1642 N VAL A 101 7.861 -6.105 1.756 1.00 0.00 N ATOM 1643 CA VAL A 101 7.377 -5.526 2.988 1.00 0.00 C ATOM 1644 C VAL A 101 5.856 -5.567 3.008 1.00 0.00 C ATOM 1645 O VAL A 101 5.213 -5.378 1.972 1.00 0.00 O ATOM 1646 CB VAL A 101 7.877 -4.076 3.158 1.00 0.00 C ATOM 1647 CG1 VAL A 101 7.328 -3.168 2.062 1.00 0.00 C ATOM 1648 CG2 VAL A 101 7.530 -3.549 4.539 1.00 0.00 C ATOM 0 H VAL A 101 7.497 -5.661 0.913 1.00 0.00 H new ATOM 0 HA VAL A 101 7.766 -6.111 3.821 1.00 0.00 H new ATOM 0 HB VAL A 101 8.963 -4.079 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.699 -2.154 2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.654 -3.535 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.239 -3.166 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.891 -2.525 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.449 -3.567 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.001 -4.176 5.296 1.00 0.00 H new ATOM 1658 N ARG A 102 5.280 -5.843 4.167 1.00 0.00 N ATOM 1659 CA ARG A 102 3.842 -5.923 4.282 1.00 0.00 C ATOM 1660 C ARG A 102 3.318 -4.826 5.182 1.00 0.00 C ATOM 1661 O ARG A 102 3.726 -4.702 6.339 1.00 0.00 O ATOM 1662 CB ARG A 102 3.410 -7.272 4.836 1.00 0.00 C ATOM 1663 CG ARG A 102 1.899 -7.484 4.763 1.00 0.00 C ATOM 1664 CD ARG A 102 1.481 -8.824 5.343 1.00 0.00 C ATOM 1665 NE ARG A 102 1.545 -8.833 6.805 1.00 0.00 N ATOM 1666 CZ ARG A 102 1.101 -9.837 7.560 1.00 0.00 C ATOM 1667 NH1 ARG A 102 0.579 -10.916 6.992 1.00 0.00 N ATOM 1668 NH2 ARG A 102 1.179 -9.765 8.882 1.00 0.00 N ATOM 0 H ARG A 102 5.788 -6.014 5.035 1.00 0.00 H new ATOM 0 HA ARG A 102 3.427 -5.802 3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 102 3.911 -8.065 4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.734 -7.355 5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.395 -6.683 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.575 -7.422 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.465 -9.056 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.127 -9.608 4.947 1.00 0.00 H new ATOM 0 HE ARG A 102 1.953 -8.024 7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.517 -10.978 5.976 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.240 -11.684 7.571 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.580 -8.938 9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.838 -10.536 9.456 1.00 0.00 H new ATOM 1682 N PHE A 103 2.414 -4.038 4.653 1.00 0.00 N ATOM 1683 CA PHE A 103 1.776 -3.006 5.424 1.00 0.00 C ATOM 1684 C PHE A 103 0.293 -3.325 5.575 1.00 0.00 C ATOM 1685 O PHE A 103 -0.483 -3.174 4.632 1.00 0.00 O ATOM 1686 CB PHE A 103 1.967 -1.648 4.751 1.00 0.00 C ATOM 1687 CG PHE A 103 3.407 -1.247 4.567 1.00 0.00 C ATOM 1688 CD1 PHE A 103 4.319 -1.368 5.606 1.00 0.00 C ATOM 1689 CD2 PHE A 103 3.841 -0.717 3.361 1.00 0.00 C ATOM 1690 CE1 PHE A 103 5.632 -0.971 5.443 1.00 0.00 C ATOM 1691 CE2 PHE A 103 5.152 -0.323 3.193 1.00 0.00 C ATOM 1692 CZ PHE A 103 6.048 -0.448 4.235 1.00 0.00 C ATOM 0 H PHE A 103 2.103 -4.095 3.683 1.00 0.00 H new ATOM 0 HA PHE A 103 2.231 -2.963 6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.479 -1.666 3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.463 -0.886 5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.999 -1.777 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.144 -0.612 2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.332 -1.070 6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.477 0.083 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.074 -0.137 4.106 1.00 0.00 H new ATOM 1702 N ASP A 104 -0.081 -3.815 6.748 1.00 0.00 N ATOM 1703 CA ASP A 104 -1.479 -4.092 7.052 1.00 0.00 C ATOM 1704 C ASP A 104 -2.210 -2.787 7.315 1.00 0.00 C ATOM 1705 O ASP A 104 -2.340 -2.339 8.454 1.00 0.00 O ATOM 1706 CB ASP A 104 -1.607 -5.073 8.233 1.00 0.00 C ATOM 1707 CG ASP A 104 -0.803 -4.680 9.460 1.00 0.00 C ATOM 1708 OD1 ASP A 104 0.442 -4.596 9.362 1.00 0.00 O ATOM 1709 OD2 ASP A 104 -1.407 -4.494 10.539 1.00 0.00 O ATOM 0 H ASP A 104 0.565 -4.030 7.507 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.943 -4.577 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.658 -5.153 8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.288 -6.062 7.905 1.00 0.00 H new ATOM 1714 N TYR A 105 -2.677 -2.170 6.240 1.00 0.00 N ATOM 1715 CA TYR A 105 -3.270 -0.852 6.320 1.00 0.00 C ATOM 1716 C TYR A 105 -4.767 -0.951 6.579 1.00 0.00 C ATOM 1717 O TYR A 105 -5.471 -1.734 5.943 1.00 0.00 O ATOM 1718 CB TYR A 105 -2.995 -0.065 5.035 1.00 0.00 C ATOM 1719 CG TYR A 105 -3.582 1.323 5.052 1.00 0.00 C ATOM 1720 CD1 TYR A 105 -3.099 2.291 5.916 1.00 0.00 C ATOM 1721 CD2 TYR A 105 -4.632 1.654 4.218 1.00 0.00 C ATOM 1722 CE1 TYR A 105 -3.651 3.556 5.956 1.00 0.00 C ATOM 1723 CE2 TYR A 105 -5.189 2.911 4.238 1.00 0.00 C ATOM 1724 CZ TYR A 105 -4.698 3.864 5.110 1.00 0.00 C ATOM 1725 OH TYR A 105 -5.276 5.114 5.156 1.00 0.00 O ATOM 0 H TYR A 105 -2.655 -2.566 5.300 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.815 -0.319 7.155 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -1.918 0.005 4.883 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.402 -0.614 4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.275 2.052 6.571 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.023 0.912 3.538 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -3.268 4.297 6.642 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.007 3.152 3.575 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.008 5.568 5.982 1.00 0.00 H new ATOM 1735 N ASP A 106 -5.238 -0.165 7.531 1.00 0.00 N ATOM 1736 CA ASP A 106 -6.644 -0.158 7.898 1.00 0.00 C ATOM 1737 C ASP A 106 -7.460 0.654 6.893 1.00 0.00 C ATOM 1738 O ASP A 106 -7.292 1.867 6.781 1.00 0.00 O ATOM 1739 CB ASP A 106 -6.806 0.426 9.303 1.00 0.00 C ATOM 1740 CG ASP A 106 -8.220 0.314 9.828 1.00 0.00 C ATOM 1741 OD1 ASP A 106 -8.549 -0.729 10.432 1.00 0.00 O ATOM 1742 OD2 ASP A 106 -9.006 1.270 9.657 1.00 0.00 O ATOM 0 H ASP A 106 -4.662 0.482 8.069 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.014 -1.183 7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.129 -0.088 9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.510 1.475 9.291 1.00 0.00 H new ATOM 1747 N LEU A 107 -8.319 -0.022 6.146 1.00 0.00 N ATOM 1748 CA LEU A 107 -9.198 0.639 5.195 1.00 0.00 C ATOM 1749 C LEU A 107 -10.523 0.994 5.861 1.00 0.00 C ATOM 1750 O LEU A 107 -11.291 0.105 6.221 1.00 0.00 O ATOM 1751 CB LEU A 107 -9.479 -0.285 4.006 1.00 0.00 C ATOM 1752 CG LEU A 107 -8.841 0.096 2.673 1.00 0.00 C ATOM 1753 CD1 LEU A 107 -7.343 -0.127 2.703 1.00 0.00 C ATOM 1754 CD2 LEU A 107 -9.479 -0.705 1.556 1.00 0.00 C ATOM 0 H LEU A 107 -8.426 -1.036 6.181 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.705 1.547 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.144 -1.288 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.558 -0.337 3.864 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.013 1.157 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.914 0.153 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.900 0.484 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.136 -1.179 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.022 -0.431 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.327 -1.769 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.547 -0.492 1.520 1.00 0.00 H new ATOM 1766 N PHE A 108 -10.797 2.281 6.034 1.00 0.00 N ATOM 1767 CA PHE A 108 -12.091 2.699 6.566 1.00 0.00 C ATOM 1768 C PHE A 108 -12.822 3.570 5.552 1.00 0.00 C ATOM 1769 O PHE A 108 -12.199 4.273 4.757 1.00 0.00 O ATOM 1770 CB PHE A 108 -11.950 3.439 7.912 1.00 0.00 C ATOM 1771 CG PHE A 108 -11.417 4.847 7.813 1.00 0.00 C ATOM 1772 CD1 PHE A 108 -12.279 5.914 7.611 1.00 0.00 C ATOM 1773 CD2 PHE A 108 -10.063 5.104 7.931 1.00 0.00 C ATOM 1774 CE1 PHE A 108 -11.799 7.205 7.523 1.00 0.00 C ATOM 1775 CE2 PHE A 108 -9.575 6.395 7.843 1.00 0.00 C ATOM 1776 CZ PHE A 108 -10.445 7.446 7.638 1.00 0.00 C ATOM 0 H PHE A 108 -10.154 3.043 5.819 1.00 0.00 H new ATOM 0 HA PHE A 108 -12.677 1.799 6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -12.926 3.469 8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -11.290 2.862 8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -13.340 5.733 7.521 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.378 4.285 8.094 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -12.482 8.026 7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.515 6.580 7.935 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.067 8.455 7.568 1.00 0.00 H new ATOM 1786 N LEU A 109 -14.140 3.512 5.572 1.00 0.00 N ATOM 1787 CA LEU A 109 -14.963 4.311 4.676 1.00 0.00 C ATOM 1788 C LEU A 109 -15.917 5.158 5.520 1.00 0.00 C ATOM 1789 O LEU A 109 -16.183 4.820 6.673 1.00 0.00 O ATOM 1790 CB LEU A 109 -15.753 3.395 3.726 1.00 0.00 C ATOM 1791 CG LEU A 109 -14.922 2.328 2.995 1.00 0.00 C ATOM 1792 CD1 LEU A 109 -15.793 1.501 2.065 1.00 0.00 C ATOM 1793 CD2 LEU A 109 -13.794 2.968 2.206 1.00 0.00 C ATOM 0 H LEU A 109 -14.671 2.914 6.205 1.00 0.00 H new ATOM 0 HA LEU A 109 -14.333 4.962 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.534 2.894 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -16.252 4.016 2.982 1.00 0.00 H new ATOM 0 HG LEU A 109 -14.495 1.670 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -15.180 0.754 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.571 1.002 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -16.254 2.153 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.220 2.193 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -14.210 3.654 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.141 3.517 2.885 1.00 0.00 H new ATOM 1805 N HIS A 110 -16.404 6.268 4.977 1.00 0.00 N ATOM 1806 CA HIS A 110 -17.349 7.109 5.712 1.00 0.00 C ATOM 1807 C HIS A 110 -18.781 6.861 5.256 1.00 0.00 C ATOM 1808 O HIS A 110 -19.009 6.188 4.252 1.00 0.00 O ATOM 1809 CB HIS A 110 -16.991 8.590 5.584 1.00 0.00 C ATOM 1810 CG HIS A 110 -16.101 9.084 6.682 1.00 0.00 C ATOM 1811 ND1 HIS A 110 -16.310 10.273 7.339 1.00 0.00 N ATOM 1812 CD2 HIS A 110 -14.995 8.539 7.241 1.00 0.00 C ATOM 1813 CE1 HIS A 110 -15.375 10.439 8.253 1.00 0.00 C ATOM 1814 NE2 HIS A 110 -14.562 9.399 8.218 1.00 0.00 N ATOM 0 H HIS A 110 -16.166 6.605 4.044 1.00 0.00 H new ATOM 0 HA HIS A 110 -17.278 6.834 6.764 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -16.499 8.756 4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -17.908 9.179 5.577 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -14.538 7.600 6.968 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.288 11.284 8.919 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -13.748 9.259 8.817 1.00 0.00 H new ATOM 1823 N LEU A 111 -19.732 7.422 5.993 1.00 0.00 N ATOM 1824 CA LEU A 111 -21.153 7.144 5.795 1.00 0.00 C ATOM 1825 C LEU A 111 -21.660 7.542 4.414 1.00 0.00 C ATOM 1826 O LEU A 111 -21.318 8.607 3.877 1.00 0.00 O ATOM 1827 CB LEU A 111 -21.979 7.844 6.873 1.00 0.00 C ATOM 1828 CG LEU A 111 -22.580 6.907 7.920 1.00 0.00 C ATOM 1829 CD1 LEU A 111 -23.683 6.068 7.304 1.00 0.00 C ATOM 1830 CD2 LEU A 111 -21.509 6.004 8.501 1.00 0.00 C ATOM 0 H LEU A 111 -19.542 8.083 6.746 1.00 0.00 H new ATOM 0 HA LEU A 111 -21.271 6.063 5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -21.348 8.576 7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -22.786 8.397 6.392 1.00 0.00 H new ATOM 0 HG LEU A 111 -23.001 7.513 8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -24.102 5.405 8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.466 6.722 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -23.275 5.473 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -21.954 5.343 9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -21.065 5.407 7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -20.737 6.612 8.972 1.00 0.00 H new ATOM 1910 N VAL A 117 -12.914 11.012 2.454 1.00 0.00 N ATOM 1911 CA VAL A 117 -11.855 10.258 3.106 1.00 0.00 C ATOM 1912 C VAL A 117 -10.555 10.344 2.326 1.00 0.00 C ATOM 1913 O VAL A 117 -10.495 9.970 1.158 1.00 0.00 O ATOM 1914 CB VAL A 117 -12.230 8.778 3.300 1.00 0.00 C ATOM 1915 CG1 VAL A 117 -11.256 8.093 4.232 1.00 0.00 C ATOM 1916 CG2 VAL A 117 -13.631 8.624 3.835 1.00 0.00 C ATOM 0 HA VAL A 117 -11.719 10.712 4.088 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.182 8.306 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.542 7.048 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.251 8.148 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.272 8.589 5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.859 7.565 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.710 9.127 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.339 9.068 3.135 1.00 0.00 H new ATOM 1926 N ASN A 118 -9.528 10.869 2.972 1.00 0.00 N ATOM 1927 CA ASN A 118 -8.191 10.912 2.406 1.00 0.00 C ATOM 1928 C ASN A 118 -7.177 10.711 3.527 1.00 0.00 C ATOM 1929 O ASN A 118 -7.172 11.463 4.500 1.00 0.00 O ATOM 1930 CB ASN A 118 -7.945 12.252 1.709 1.00 0.00 C ATOM 1931 CG ASN A 118 -6.655 12.262 0.898 1.00 0.00 C ATOM 1932 OD1 ASN A 118 -6.682 12.124 -0.321 1.00 0.00 O ATOM 1933 ND2 ASN A 118 -5.515 12.382 1.561 1.00 0.00 N ATOM 0 H ASN A 118 -9.598 11.278 3.904 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.086 10.120 1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -8.785 12.475 1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -7.906 13.044 2.456 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.628 12.361 1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -5.524 12.496 2.575 1.00 0.00 H new ATOM 1940 N HIS A 119 -6.337 9.693 3.412 1.00 0.00 N ATOM 1941 CA HIS A 119 -5.394 9.378 4.474 1.00 0.00 C ATOM 1942 C HIS A 119 -4.079 8.854 3.898 1.00 0.00 C ATOM 1943 O HIS A 119 -4.087 8.093 2.931 1.00 0.00 O ATOM 1944 CB HIS A 119 -6.021 8.332 5.388 1.00 0.00 C ATOM 1945 CG HIS A 119 -5.482 8.328 6.783 1.00 0.00 C ATOM 1946 ND1 HIS A 119 -4.926 7.215 7.370 1.00 0.00 N ATOM 1947 CD2 HIS A 119 -5.465 9.299 7.727 1.00 0.00 C ATOM 1948 CE1 HIS A 119 -4.593 7.500 8.615 1.00 0.00 C ATOM 1949 NE2 HIS A 119 -4.908 8.758 8.855 1.00 0.00 N ATOM 0 H HIS A 119 -6.289 9.076 2.601 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.172 10.283 5.039 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.097 8.500 5.428 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -5.868 7.346 4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.824 10.311 7.612 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -4.139 6.818 9.319 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -4.761 9.248 9.737 1.00 0.00 H new ATOM 1958 N LEU A 120 -2.965 9.278 4.495 1.00 0.00 N ATOM 1959 CA LEU A 120 -1.628 8.857 4.079 1.00 0.00 C ATOM 1960 C LEU A 120 -0.668 8.850 5.269 1.00 0.00 C ATOM 1961 O LEU A 120 -0.820 9.639 6.204 1.00 0.00 O ATOM 1962 CB LEU A 120 -1.095 9.788 2.982 1.00 0.00 C ATOM 1963 CG LEU A 120 -1.557 9.466 1.561 1.00 0.00 C ATOM 1964 CD1 LEU A 120 -1.231 10.613 0.627 1.00 0.00 C ATOM 1965 CD2 LEU A 120 -0.874 8.207 1.067 1.00 0.00 C ATOM 0 H LEU A 120 -2.965 9.925 5.283 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.697 7.844 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.394 10.809 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.006 9.762 3.006 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.636 9.313 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.566 10.368 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.738 11.516 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.154 10.782 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.209 7.985 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.206 8.355 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.127 7.374 1.723 1.00 0.00 H new ATOM 1977 N ARG A 121 0.308 7.948 5.234 1.00 0.00 N ATOM 1978 CA ARG A 121 1.317 7.853 6.294 1.00 0.00 C ATOM 1979 C ARG A 121 2.606 7.235 5.757 1.00 0.00 C ATOM 1980 O ARG A 121 2.573 6.223 5.057 1.00 0.00 O ATOM 1981 CB ARG A 121 0.785 7.039 7.504 1.00 0.00 C ATOM 1982 CG ARG A 121 1.564 5.760 7.830 1.00 0.00 C ATOM 1983 CD ARG A 121 0.986 4.535 7.132 1.00 0.00 C ATOM 1984 NE ARG A 121 -0.375 4.291 7.583 1.00 0.00 N ATOM 1985 CZ ARG A 121 -0.776 3.142 8.116 1.00 0.00 C ATOM 1986 NH1 ARG A 121 0.018 2.080 8.097 1.00 0.00 N ATOM 1987 NH2 ARG A 121 -1.982 3.060 8.659 1.00 0.00 N ATOM 0 H ARG A 121 0.425 7.269 4.482 1.00 0.00 H new ATOM 0 HA ARG A 121 1.535 8.864 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.792 7.682 8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.254 6.772 7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.605 5.886 7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.557 5.598 8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.997 4.684 6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.607 3.663 7.340 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.058 5.042 7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.943 2.142 7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.296 1.201 8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.595 3.875 8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.297 2.182 9.070 1.00 0.00 H new ATOM 2001 N CYS A 122 3.734 7.856 6.068 1.00 0.00 N ATOM 2002 CA CYS A 122 5.027 7.329 5.667 1.00 0.00 C ATOM 2003 C CYS A 122 5.573 6.332 6.693 1.00 0.00 C ATOM 2004 O CYS A 122 5.660 6.628 7.887 1.00 0.00 O ATOM 2005 CB CYS A 122 6.017 8.474 5.455 1.00 0.00 C ATOM 2006 SG CYS A 122 6.161 9.601 6.862 1.00 0.00 S ATOM 0 H CYS A 122 3.779 8.727 6.598 1.00 0.00 H new ATOM 0 HA CYS A 122 4.894 6.793 4.727 1.00 0.00 H new ATOM 0 HB2 CYS A 122 6.999 8.054 5.238 1.00 0.00 H new ATOM 0 HB3 CYS A 122 5.713 9.044 4.577 1.00 0.00 H new ATOM 0 HG CYS A 122 5.982 8.940 7.967 1.00 0.00 H new ATOM 2012 N GLU A 123 5.904 5.144 6.212 1.00 0.00 N ATOM 2013 CA GLU A 123 6.566 4.120 7.007 1.00 0.00 C ATOM 2014 C GLU A 123 8.053 4.155 6.703 1.00 0.00 C ATOM 2015 O GLU A 123 8.457 4.703 5.685 1.00 0.00 O ATOM 2016 CB GLU A 123 5.994 2.746 6.659 1.00 0.00 C ATOM 2017 CG GLU A 123 4.525 2.613 7.001 1.00 0.00 C ATOM 2018 CD GLU A 123 4.294 2.167 8.429 1.00 0.00 C ATOM 2019 OE1 GLU A 123 4.236 0.946 8.674 1.00 0.00 O ATOM 2020 OE2 GLU A 123 4.178 3.036 9.316 1.00 0.00 O ATOM 0 H GLU A 123 5.719 4.860 5.250 1.00 0.00 H new ATOM 0 HA GLU A 123 6.402 4.308 8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.132 2.560 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.556 1.979 7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 123 4.031 3.571 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 123 4.062 1.897 6.322 1.00 0.00 H new ATOM 2027 N LYS A 124 8.864 3.573 7.563 1.00 0.00 N ATOM 2028 CA LYS A 124 10.304 3.618 7.377 1.00 0.00 C ATOM 2029 C LYS A 124 10.918 2.236 7.499 1.00 0.00 C ATOM 2030 O LYS A 124 10.577 1.463 8.395 1.00 0.00 O ATOM 2031 CB LYS A 124 10.944 4.574 8.378 1.00 0.00 C ATOM 2032 CG LYS A 124 12.472 4.519 8.378 1.00 0.00 C ATOM 2033 CD LYS A 124 13.092 5.294 9.510 1.00 0.00 C ATOM 2034 CE LYS A 124 12.722 4.693 10.848 1.00 0.00 C ATOM 2035 NZ LYS A 124 11.361 5.085 11.305 1.00 0.00 N ATOM 0 H LYS A 124 8.556 3.066 8.393 1.00 0.00 H new ATOM 0 HA LYS A 124 10.498 3.985 6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 124 10.624 5.591 8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.579 4.339 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.792 3.479 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.844 4.911 7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.176 5.302 9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.760 6.331 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.778 3.607 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.453 5.003 11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.426 5.542 12.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.943 5.749 10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.761 4.238 11.375 1.00 0.00 H new ATOM 2049 N LEU A 125 11.823 1.935 6.587 1.00 0.00 N ATOM 2050 CA LEU A 125 12.532 0.671 6.594 1.00 0.00 C ATOM 2051 C LEU A 125 14.033 0.925 6.685 1.00 0.00 C ATOM 2052 O LEU A 125 14.666 1.246 5.683 1.00 0.00 O ATOM 2053 CB LEU A 125 12.202 -0.079 5.304 1.00 0.00 C ATOM 2054 CG LEU A 125 10.711 -0.157 4.970 1.00 0.00 C ATOM 2055 CD1 LEU A 125 10.485 -0.095 3.469 1.00 0.00 C ATOM 2056 CD2 LEU A 125 10.112 -1.432 5.537 1.00 0.00 C ATOM 0 H LEU A 125 12.086 2.558 5.823 1.00 0.00 H new ATOM 0 HA LEU A 125 12.228 0.074 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.720 0.405 4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.597 -1.092 5.378 1.00 0.00 H new ATOM 0 HG LEU A 125 10.216 0.701 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.417 -0.152 3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.881 0.843 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.994 -0.931 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.051 -1.475 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 125 10.619 -2.295 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.235 -1.442 6.620 1.00 0.00 H new ATOM 2068 N THR A 126 14.595 0.810 7.884 1.00 0.00 N ATOM 2069 CA THR A 126 16.023 1.041 8.081 1.00 0.00 C ATOM 2070 C THR A 126 16.800 -0.244 7.831 1.00 0.00 C ATOM 2071 O THR A 126 16.533 -1.273 8.455 1.00 0.00 O ATOM 2072 CB THR A 126 16.338 1.538 9.506 1.00 0.00 C ATOM 2073 OG1 THR A 126 15.229 2.288 10.026 1.00 0.00 O ATOM 2074 CG2 THR A 126 17.570 2.425 9.494 1.00 0.00 C ATOM 0 H THR A 126 14.086 0.559 8.732 1.00 0.00 H new ATOM 0 HA THR A 126 16.322 1.813 7.372 1.00 0.00 H new ATOM 0 HB THR A 126 16.521 0.669 10.138 1.00 0.00 H new ATOM 0 HG1 THR A 126 15.439 2.597 10.932 1.00 0.00 H new ATOM 0 HG21 THR A 126 17.781 2.769 10.507 1.00 0.00 H new ATOM 0 HG22 THR A 126 18.422 1.859 9.118 1.00 0.00 H new ATOM 0 HG23 THR A 126 17.393 3.285 8.848 1.00 0.00 H new ATOM 2082 N PHE A 127 17.738 -0.186 6.906 1.00 0.00 N ATOM 2083 CA PHE A 127 18.571 -1.329 6.589 1.00 0.00 C ATOM 2084 C PHE A 127 19.985 -1.085 7.080 1.00 0.00 C ATOM 2085 O PHE A 127 20.728 -0.281 6.509 1.00 0.00 O ATOM 2086 CB PHE A 127 18.551 -1.599 5.082 1.00 0.00 C ATOM 2087 CG PHE A 127 17.168 -1.845 4.558 1.00 0.00 C ATOM 2088 CD1 PHE A 127 16.605 -3.112 4.604 1.00 0.00 C ATOM 2089 CD2 PHE A 127 16.419 -0.801 4.046 1.00 0.00 C ATOM 2090 CE1 PHE A 127 15.321 -3.327 4.150 1.00 0.00 C ATOM 2091 CE2 PHE A 127 15.137 -1.012 3.586 1.00 0.00 C ATOM 2092 CZ PHE A 127 14.585 -2.275 3.639 1.00 0.00 C ATOM 0 H PHE A 127 17.943 0.649 6.357 1.00 0.00 H new ATOM 0 HA PHE A 127 18.178 -2.212 7.093 1.00 0.00 H new ATOM 0 HB2 PHE A 127 18.988 -0.749 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 127 19.177 -2.464 4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.178 -3.938 4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.844 0.191 4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.891 -4.317 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.565 -0.189 3.184 1.00 0.00 H new ATOM 0 HZ PHE A 127 13.579 -2.441 3.282 1.00 0.00 H new ATOM 2102 N ASN A 128 20.336 -1.760 8.160 1.00 0.00 N ATOM 2103 CA ASN A 128 21.635 -1.586 8.780 1.00 0.00 C ATOM 2104 C ASN A 128 22.713 -2.291 7.974 1.00 0.00 C ATOM 2105 O ASN A 128 22.678 -3.511 7.815 1.00 0.00 O ATOM 2106 CB ASN A 128 21.624 -2.122 10.211 1.00 0.00 C ATOM 2107 CG ASN A 128 20.684 -1.350 11.120 1.00 0.00 C ATOM 2108 OD1 ASN A 128 21.082 -0.381 11.764 1.00 0.00 O ATOM 2109 ND2 ASN A 128 19.431 -1.770 11.178 1.00 0.00 N ATOM 0 H ASN A 128 19.734 -2.438 8.628 1.00 0.00 H new ATOM 0 HA ASN A 128 21.856 -0.519 8.805 1.00 0.00 H new ATOM 0 HB2 ASN A 128 21.330 -3.172 10.199 1.00 0.00 H new ATOM 0 HB3 ASN A 128 22.634 -2.078 10.619 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.758 -1.286 11.772 1.00 0.00 H new ATOM 0 HD22 ASN A 128 19.138 -2.578 10.629 1.00 0.00 H new ATOM 2116 N ASN A 129 23.654 -1.499 7.467 1.00 0.00 N ATOM 2117 CA ASN A 129 24.805 -2.001 6.717 1.00 0.00 C ATOM 2118 C ASN A 129 24.387 -2.937 5.582 1.00 0.00 C ATOM 2119 O ASN A 129 24.541 -4.155 5.677 1.00 0.00 O ATOM 2120 CB ASN A 129 25.799 -2.693 7.653 1.00 0.00 C ATOM 2121 CG ASN A 129 26.411 -1.714 8.653 1.00 0.00 C ATOM 2122 OD1 ASN A 129 26.638 -0.550 8.319 1.00 0.00 O ATOM 2123 ND2 ASN A 129 26.636 -2.138 9.898 1.00 0.00 N ATOM 0 H ASN A 129 23.640 -0.484 7.565 1.00 0.00 H new ATOM 0 HA ASN A 129 25.295 -1.141 6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 129 25.294 -3.495 8.192 1.00 0.00 H new ATOM 0 HB3 ASN A 129 26.592 -3.155 7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 129 27.004 -1.493 10.598 1.00 0.00 H new ATOM 0 HD22 ASN A 129 26.440 -3.107 10.150 1.00 0.00 H new ATOM 2130 N PRO A 130 23.830 -2.377 4.497 1.00 0.00 N ATOM 2131 CA PRO A 130 23.489 -3.140 3.306 1.00 0.00 C ATOM 2132 C PRO A 130 24.635 -3.156 2.294 1.00 0.00 C ATOM 2133 O PRO A 130 25.606 -2.412 2.435 1.00 0.00 O ATOM 2134 CB PRO A 130 22.294 -2.366 2.754 1.00 0.00 C ATOM 2135 CG PRO A 130 22.519 -0.943 3.167 1.00 0.00 C ATOM 2136 CD PRO A 130 23.467 -0.957 4.346 1.00 0.00 C ATOM 0 HA PRO A 130 23.282 -4.189 3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 130 22.234 -2.456 1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 130 21.357 -2.749 3.158 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.940 -0.367 2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.576 -0.469 3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.345 -0.339 4.159 1.00 0.00 H new ATOM 0 HD3 PRO A 130 22.990 -0.569 5.246 1.00 0.00 H new ATOM 2144 N THR A 131 24.534 -4.016 1.290 1.00 0.00 N ATOM 2145 CA THR A 131 25.509 -4.034 0.206 1.00 0.00 C ATOM 2146 C THR A 131 25.412 -2.744 -0.616 1.00 0.00 C ATOM 2147 O THR A 131 24.401 -2.036 -0.535 1.00 0.00 O ATOM 2148 CB THR A 131 25.318 -5.260 -0.721 1.00 0.00 C ATOM 2149 OG1 THR A 131 26.285 -5.252 -1.780 1.00 0.00 O ATOM 2150 CG2 THR A 131 23.916 -5.276 -1.312 1.00 0.00 C ATOM 0 H THR A 131 23.790 -4.708 1.203 1.00 0.00 H new ATOM 0 HA THR A 131 26.498 -4.106 0.659 1.00 0.00 H new ATOM 0 HB THR A 131 25.459 -6.157 -0.118 1.00 0.00 H new ATOM 0 HG1 THR A 131 26.149 -6.035 -2.353 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.804 -6.145 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.182 -5.326 -0.507 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.756 -4.368 -1.893 1.00 0.00 H new ATOM 2158 N GLU A 132 26.442 -2.436 -1.398 1.00 0.00 N ATOM 2159 CA GLU A 132 26.479 -1.177 -2.137 1.00 0.00 C ATOM 2160 C GLU A 132 25.299 -1.077 -3.093 1.00 0.00 C ATOM 2161 O GLU A 132 24.636 -0.044 -3.150 1.00 0.00 O ATOM 2162 CB GLU A 132 27.782 -1.014 -2.919 1.00 0.00 C ATOM 2163 CG GLU A 132 28.019 0.409 -3.396 1.00 0.00 C ATOM 2164 CD GLU A 132 28.140 1.392 -2.248 1.00 0.00 C ATOM 2165 OE1 GLU A 132 27.102 1.927 -1.800 1.00 0.00 O ATOM 2166 OE2 GLU A 132 29.274 1.630 -1.782 1.00 0.00 O ATOM 0 H GLU A 132 27.256 -3.035 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 132 26.419 -0.376 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 132 28.617 -1.323 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.767 -1.682 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 132 28.929 0.441 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.198 0.713 -4.046 1.00 0.00 H new ATOM 2173 N ASP A 133 25.029 -2.162 -3.822 1.00 0.00 N ATOM 2174 CA ASP A 133 23.949 -2.187 -4.811 1.00 0.00 C ATOM 2175 C ASP A 133 22.630 -1.745 -4.192 1.00 0.00 C ATOM 2176 O ASP A 133 21.903 -0.929 -4.763 1.00 0.00 O ATOM 2177 CB ASP A 133 23.773 -3.589 -5.404 1.00 0.00 C ATOM 2178 CG ASP A 133 24.980 -4.054 -6.190 1.00 0.00 C ATOM 2179 OD1 ASP A 133 26.046 -4.269 -5.577 1.00 0.00 O ATOM 2180 OD2 ASP A 133 24.867 -4.219 -7.424 1.00 0.00 O ATOM 0 H ASP A 133 25.546 -3.038 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 133 24.227 -1.493 -5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 133 23.576 -4.296 -4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 133 22.898 -3.595 -6.054 1.00 0.00 H new ATOM 2185 N PHE A 134 22.339 -2.274 -3.008 1.00 0.00 N ATOM 2186 CA PHE A 134 21.096 -1.961 -2.328 1.00 0.00 C ATOM 2187 C PHE A 134 21.104 -0.512 -1.856 1.00 0.00 C ATOM 2188 O PHE A 134 20.183 0.249 -2.151 1.00 0.00 O ATOM 2189 CB PHE A 134 20.868 -2.893 -1.137 1.00 0.00 C ATOM 2190 CG PHE A 134 19.445 -2.856 -0.650 1.00 0.00 C ATOM 2191 CD1 PHE A 134 18.397 -2.791 -1.556 1.00 0.00 C ATOM 2192 CD2 PHE A 134 19.150 -2.873 0.704 1.00 0.00 C ATOM 2193 CE1 PHE A 134 17.093 -2.743 -1.125 1.00 0.00 C ATOM 2194 CE2 PHE A 134 17.841 -2.827 1.140 1.00 0.00 C ATOM 2195 CZ PHE A 134 16.812 -2.763 0.222 1.00 0.00 C ATOM 0 H PHE A 134 22.948 -2.919 -2.504 1.00 0.00 H new ATOM 0 HA PHE A 134 20.281 -2.105 -3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 134 21.126 -3.913 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 134 21.536 -2.610 -0.323 1.00 0.00 H new ATOM 0 HD1 PHE A 134 18.609 -2.778 -2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 134 19.952 -2.923 1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.289 -2.690 -1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.622 -2.841 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 134 15.787 -2.729 0.561 1.00 0.00 H new ATOM 2205 N ARG A 135 22.159 -0.143 -1.136 1.00 0.00 N ATOM 2206 CA ARG A 135 22.317 1.215 -0.623 1.00 0.00 C ATOM 2207 C ARG A 135 22.197 2.236 -1.750 1.00 0.00 C ATOM 2208 O ARG A 135 21.522 3.251 -1.618 1.00 0.00 O ATOM 2209 CB ARG A 135 23.674 1.351 0.060 1.00 0.00 C ATOM 2210 CG ARG A 135 24.015 2.774 0.445 1.00 0.00 C ATOM 2211 CD ARG A 135 25.462 2.898 0.926 1.00 0.00 C ATOM 2212 NE ARG A 135 25.773 1.976 2.019 1.00 0.00 N ATOM 2213 CZ ARG A 135 26.595 0.932 1.893 1.00 0.00 C ATOM 2214 NH1 ARG A 135 27.133 0.650 0.713 1.00 0.00 N ATOM 2215 NH2 ARG A 135 26.885 0.174 2.943 1.00 0.00 N ATOM 0 H ARG A 135 22.924 -0.772 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 135 21.525 1.408 0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 135 23.686 0.728 0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 135 24.447 0.968 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 135 23.858 3.430 -0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 135 23.340 3.110 1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 135 26.136 2.706 0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 135 25.645 3.921 1.255 1.00 0.00 H new ATOM 0 HE ARG A 135 25.338 2.140 2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 135 26.918 1.231 -0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 135 27.761 -0.148 0.616 1.00 0.00 H new ATOM 0 HH21 ARG A 135 26.479 0.388 3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 135 27.514 -0.622 2.839 1.00 0.00 H new ATOM 2229 N ARG A 136 22.867 1.933 -2.848 1.00 0.00 N ATOM 2230 CA ARG A 136 22.825 2.725 -4.064 1.00 0.00 C ATOM 2231 C ARG A 136 21.403 3.099 -4.436 1.00 0.00 C ATOM 2232 O ARG A 136 21.074 4.279 -4.579 1.00 0.00 O ATOM 2233 CB ARG A 136 23.412 1.903 -5.171 1.00 0.00 C ATOM 2234 CG ARG A 136 24.490 2.581 -5.983 1.00 0.00 C ATOM 2235 CD ARG A 136 25.142 1.578 -6.912 1.00 0.00 C ATOM 2236 NE ARG A 136 24.191 1.011 -7.869 1.00 0.00 N ATOM 2237 CZ ARG A 136 24.433 -0.081 -8.596 1.00 0.00 C ATOM 2238 NH1 ARG A 136 25.599 -0.708 -8.488 1.00 0.00 N ATOM 2239 NH2 ARG A 136 23.512 -0.545 -9.432 1.00 0.00 N ATOM 0 H ARG A 136 23.468 1.112 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 136 23.387 3.646 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 136 23.825 0.990 -4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 136 22.608 1.604 -5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 136 24.062 3.400 -6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 136 25.238 3.016 -5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 136 25.955 2.062 -7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 136 25.585 0.775 -6.323 1.00 0.00 H new ATOM 0 HE ARG A 136 23.292 1.477 -7.987 1.00 0.00 H new ATOM 0 HH11 ARG A 136 26.311 -0.355 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 136 25.783 -1.543 -9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 136 22.616 -0.066 -9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 136 23.701 -1.380 -9.986 1.00 0.00 H new ATOM 2253 N LYS A 137 20.565 2.081 -4.584 1.00 0.00 N ATOM 2254 CA LYS A 137 19.177 2.284 -4.975 1.00 0.00 C ATOM 2255 C LYS A 137 18.435 3.087 -3.915 1.00 0.00 C ATOM 2256 O LYS A 137 17.706 4.032 -4.226 1.00 0.00 O ATOM 2257 CB LYS A 137 18.461 0.949 -5.183 1.00 0.00 C ATOM 2258 CG LYS A 137 19.010 0.115 -6.330 1.00 0.00 C ATOM 2259 CD LYS A 137 18.295 -1.225 -6.434 1.00 0.00 C ATOM 2260 CE LYS A 137 18.888 -2.085 -7.537 1.00 0.00 C ATOM 2261 NZ LYS A 137 18.463 -3.505 -7.436 1.00 0.00 N ATOM 0 H LYS A 137 20.823 1.105 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 137 19.180 2.835 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 137 18.527 0.368 -4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 137 17.403 1.142 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 137 18.898 0.662 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 137 20.077 -0.051 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 137 18.365 -1.752 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 137 17.235 -1.060 -6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 137 18.588 -1.686 -8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 137 19.976 -2.030 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 19.300 -4.121 -7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 17.963 -3.654 -6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 17.829 -3.735 -8.227 1.00 0.00 H new ATOM 2275 N LEU A 138 18.640 2.695 -2.662 1.00 0.00 N ATOM 2276 CA LEU A 138 18.005 3.350 -1.517 1.00 0.00 C ATOM 2277 C LEU A 138 18.304 4.851 -1.492 1.00 0.00 C ATOM 2278 O LEU A 138 17.451 5.659 -1.119 1.00 0.00 O ATOM 2279 CB LEU A 138 18.480 2.718 -0.205 1.00 0.00 C ATOM 2280 CG LEU A 138 18.311 1.200 -0.084 1.00 0.00 C ATOM 2281 CD1 LEU A 138 18.620 0.742 1.333 1.00 0.00 C ATOM 2282 CD2 LEU A 138 16.915 0.773 -0.490 1.00 0.00 C ATOM 0 H LEU A 138 19.249 1.917 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 138 16.929 3.212 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 138 19.535 2.957 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 138 17.941 3.189 0.617 1.00 0.00 H new ATOM 0 HG LEU A 138 19.018 0.726 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 138 18.495 -0.339 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.647 1.005 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 138 17.939 1.231 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 138 16.823 -0.309 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 138 16.184 1.258 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 138 16.732 1.063 -1.525 1.00 0.00 H new ATOM 2294 N LEU A 139 19.521 5.210 -1.883 1.00 0.00 N ATOM 2295 CA LEU A 139 19.963 6.600 -1.882 1.00 0.00 C ATOM 2296 C LEU A 139 19.471 7.355 -3.117 1.00 0.00 C ATOM 2297 O LEU A 139 19.282 8.573 -3.077 1.00 0.00 O ATOM 2298 CB LEU A 139 21.490 6.644 -1.809 1.00 0.00 C ATOM 2299 CG LEU A 139 22.080 6.005 -0.554 1.00 0.00 C ATOM 2300 CD1 LEU A 139 23.596 5.953 -0.623 1.00 0.00 C ATOM 2301 CD2 LEU A 139 21.616 6.757 0.677 1.00 0.00 C ATOM 0 H LEU A 139 20.227 4.549 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 139 19.535 7.094 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 139 21.898 6.140 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 139 21.814 7.683 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 139 21.723 4.977 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 139 23.986 5.493 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 139 23.901 5.364 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 139 23.991 6.965 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 139 22.041 6.295 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 139 21.944 7.795 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 139 20.528 6.724 0.735 1.00 0.00 H new ATOM 2313 N LYS A 140 19.272 6.634 -4.213 1.00 0.00 N ATOM 2314 CA LYS A 140 18.802 7.239 -5.452 1.00 0.00 C ATOM 2315 C LYS A 140 17.336 7.626 -5.366 1.00 0.00 C ATOM 2316 O LYS A 140 16.876 8.507 -6.092 1.00 0.00 O ATOM 2317 CB LYS A 140 18.997 6.290 -6.623 1.00 0.00 C ATOM 2318 CG LYS A 140 20.117 6.708 -7.550 1.00 0.00 C ATOM 2319 CD LYS A 140 20.303 5.706 -8.680 1.00 0.00 C ATOM 2320 CE LYS A 140 21.757 5.382 -8.926 1.00 0.00 C ATOM 2321 NZ LYS A 140 22.632 6.583 -8.868 1.00 0.00 N ATOM 0 H LYS A 140 19.429 5.628 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 140 19.393 8.141 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.204 5.290 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 140 18.068 6.228 -7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 140 19.900 7.692 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 140 21.045 6.799 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.764 4.789 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 140 19.863 6.106 -9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 140 22.093 4.657 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 140 21.859 4.910 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 23.430 6.463 -9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 22.084 7.425 -9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 22.995 6.702 -7.901 1.00 0.00 H new ATOM 2335 N ALA A 141 16.621 6.929 -4.498 1.00 0.00 N ATOM 2336 CA ALA A 141 15.199 7.158 -4.262 1.00 0.00 C ATOM 2337 C ALA A 141 14.864 8.643 -4.160 1.00 0.00 C ATOM 2338 O ALA A 141 14.225 9.179 -5.090 1.00 0.00 O ATOM 2339 CB ALA A 141 14.778 6.439 -2.997 1.00 0.00 C ATOM 2340 OXT ALA A 141 15.260 9.276 -3.159 1.00 0.00 O ATOM 0 H ALA A 141 17.013 6.179 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 141 14.649 6.764 -5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.716 6.608 -2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 141 14.961 5.370 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.353 6.820 -2.153 1.00 0.00 H new ATOM 2385 N ALA B 215 -18.743 4.063 8.990 1.00 0.00 N ATOM 2386 CA ALA B 215 -19.396 3.132 8.083 1.00 0.00 C ATOM 2387 C ALA B 215 -19.126 1.698 8.516 1.00 0.00 C ATOM 2388 O ALA B 215 -18.091 1.414 9.125 1.00 0.00 O ATOM 2389 CB ALA B 215 -18.916 3.359 6.657 1.00 0.00 C ATOM 0 HA ALA B 215 -20.471 3.307 8.116 1.00 0.00 H new ATOM 0 HB1 ALA B 215 -19.413 2.655 5.989 1.00 0.00 H new ATOM 0 HB2 ALA B 215 -19.153 4.378 6.351 1.00 0.00 H new ATOM 0 HB3 ALA B 215 -17.838 3.206 6.607 1.00 0.00 H new ATOM 2395 N PRO B 216 -20.060 0.785 8.226 1.00 0.00 N ATOM 2396 CA PRO B 216 -19.924 -0.630 8.583 1.00 0.00 C ATOM 2397 C PRO B 216 -18.684 -1.261 7.951 1.00 0.00 C ATOM 2398 O PRO B 216 -18.216 -0.822 6.898 1.00 0.00 O ATOM 2399 CB PRO B 216 -21.212 -1.270 8.050 1.00 0.00 C ATOM 2400 CG PRO B 216 -21.750 -0.298 7.058 1.00 0.00 C ATOM 2401 CD PRO B 216 -21.323 1.058 7.523 1.00 0.00 C ATOM 0 HA PRO B 216 -19.795 -0.774 9.656 1.00 0.00 H new ATOM 0 HB2 PRO B 216 -21.009 -2.235 7.586 1.00 0.00 H new ATOM 0 HB3 PRO B 216 -21.926 -1.447 8.855 1.00 0.00 H new ATOM 0 HG2 PRO B 216 -21.363 -0.506 6.061 1.00 0.00 H new ATOM 0 HG3 PRO B 216 -22.836 -0.364 6.999 1.00 0.00 H new ATOM 0 HD2 PRO B 216 -21.180 1.744 6.688 1.00 0.00 H new ATOM 0 HD3 PRO B 216 -22.063 1.510 8.184 1.00 0.00 H new ATOM 2409 N ARG B 217 -18.148 -2.283 8.605 1.00 0.00 N ATOM 2410 CA ARG B 217 -16.890 -2.884 8.184 1.00 0.00 C ATOM 2411 C ARG B 217 -16.974 -4.408 8.186 1.00 0.00 C ATOM 2412 O ARG B 217 -17.978 -4.988 8.596 1.00 0.00 O ATOM 2413 CB ARG B 217 -15.751 -2.422 9.102 1.00 0.00 C ATOM 2414 CG ARG B 217 -15.391 -0.950 8.948 1.00 0.00 C ATOM 2415 CD ARG B 217 -14.250 -0.546 9.871 1.00 0.00 C ATOM 2416 NE ARG B 217 -13.075 -1.398 9.699 1.00 0.00 N ATOM 2417 CZ ARG B 217 -11.820 -0.957 9.676 1.00 0.00 C ATOM 2418 NH1 ARG B 217 -11.555 0.339 9.763 1.00 0.00 N ATOM 2419 NH2 ARG B 217 -10.826 -1.823 9.566 1.00 0.00 N ATOM 0 H ARG B 217 -18.566 -2.713 9.430 1.00 0.00 H new ATOM 0 HA ARG B 217 -16.688 -2.557 7.164 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -16.034 -2.610 10.138 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -14.866 -3.025 8.898 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -15.109 -0.751 7.914 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -16.267 -0.338 9.163 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -13.977 0.491 9.676 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -14.586 -0.598 10.907 1.00 0.00 H new ATOM 0 HE ARG B 217 -13.228 -2.400 9.589 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -12.318 1.011 9.849 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -10.588 0.664 9.744 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -11.024 -2.821 9.499 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -9.861 -1.492 9.548 1.00 0.00 H new