USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1001 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 112 THR OG1 : rot -120:sc= -2.64! USER MOD Set 1.2: A 115 ASN : amide:sc= -6.32! K(o=-9!,f=1.2) USER MOD Set 2.1: A 40 SER OG : rot -66:sc= 0.38 USER MOD Set 2.2: A 43 THR OG1 : rot -16:sc= 0.306! USER MOD Set 3.1: A 32 THR OG1 : rot 39:sc= -0.0937 USER MOD Set 3.2: A 110 GLN : amide:sc= -0.478 K(o=-0.57,f=-1.4!) USER MOD Set 4.1: A 19 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.34) USER MOD Set 4.2: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 12 GLN : amide:sc= -0.1 K(o=-0.1,f=0.53) USER MOD Set 5.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 17 THR OG1 : rot 88:sc= 0.786 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -28:sc= 0.176 USER MOD Single : A 24 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.012) USER MOD Single : A 25 LYS NZ :NH3+ -142:sc= 0.365 (180deg=-0.194) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.309 USER MOD Single : A 29 THR OG1 : rot -103:sc= 1.15 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 155:sc=-0.00658 (180deg=-0.724) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 66:sc= 0.819 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00324 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 SER OG : rot 112:sc= 0.841 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 63 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.18) USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= 1 (180deg=-0.0316) USER MOD Single : A 67 THR OG1 : rot -58:sc= 1.08 USER MOD Single : A 73 THR OG1 : rot -171:sc= 0.0748 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.41) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= -0.03 (180deg=-0.401) USER MOD Single : A 93 ASN : amide:sc= -5.33! K(o=-5.3!,f=-1.3) USER MOD Single : A 101 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.011) USER MOD Single : A 102 SER OG : rot 41:sc= 0.0348 USER MOD Single : A 106 LYS NZ :NH3+ -139:sc= -2.44! (180deg=-5.67!) USER MOD Single : A 111 SER OG : rot 100:sc= 0 USER MOD Single : A 122 THR OG1 : rot 81:sc= 0.993 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -106:sc= -4.79! (180deg=-5.24!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.889 5.830 0.664 1.00 0.75 N ATOM 103 CA ASP A 8 -16.781 6.093 1.625 1.00 0.67 C ATOM 104 C ASP A 8 -15.840 7.149 1.042 1.00 0.59 C ATOM 105 O ASP A 8 -15.548 7.151 -0.138 1.00 0.65 O ATOM 106 CB ASP A 8 -16.003 4.799 1.874 1.00 0.63 C ATOM 107 CG ASP A 8 -14.993 5.019 3.001 1.00 0.75 C ATOM 108 OD1 ASP A 8 -14.749 6.166 3.336 1.00 1.45 O ATOM 109 OD2 ASP A 8 -14.480 4.036 3.511 1.00 1.28 O ATOM 0 HA ASP A 8 -17.195 6.455 2.566 1.00 0.67 H new ATOM 0 HB2 ASP A 8 -16.690 3.995 2.139 1.00 0.63 H new ATOM 0 HB3 ASP A 8 -15.487 4.492 0.964 1.00 0.63 H new ATOM 114 N ILE A 9 -15.362 8.047 1.859 1.00 0.49 N ATOM 115 CA ILE A 9 -14.440 9.102 1.351 1.00 0.40 C ATOM 116 C ILE A 9 -12.992 8.637 1.515 1.00 0.33 C ATOM 117 O ILE A 9 -12.108 9.061 0.798 1.00 0.32 O ATOM 118 CB ILE A 9 -14.654 10.392 2.145 1.00 0.42 C ATOM 119 CG1 ILE A 9 -13.966 11.553 1.424 1.00 0.60 C ATOM 120 CG2 ILE A 9 -14.056 10.236 3.544 1.00 0.37 C ATOM 121 CD1 ILE A 9 -14.254 12.859 2.168 1.00 0.31 C ATOM 0 H ILE A 9 -15.570 8.096 2.856 1.00 0.49 H new ATOM 0 HA ILE A 9 -14.645 9.286 0.296 1.00 0.40 H new ATOM 0 HB ILE A 9 -15.722 10.595 2.227 1.00 0.42 H new ATOM 0 HG12 ILE A 9 -12.891 11.379 1.376 1.00 0.60 H new ATOM 0 HG13 ILE A 9 -14.324 11.621 0.397 1.00 0.60 H new ATOM 0 HG21 ILE A 9 -14.209 11.155 4.109 1.00 0.37 H new ATOM 0 HG22 ILE A 9 -14.544 9.408 4.058 1.00 0.37 H new ATOM 0 HG23 ILE A 9 -12.988 10.033 3.463 1.00 0.37 H new ATOM 0 HD11 ILE A 9 -13.764 13.686 1.654 1.00 0.31 H new ATOM 0 HD12 ILE A 9 -15.330 13.034 2.193 1.00 0.31 H new ATOM 0 HD13 ILE A 9 -13.874 12.789 3.187 1.00 0.31 H new ATOM 133 N THR A 10 -12.742 7.766 2.456 1.00 0.27 N ATOM 134 CA THR A 10 -11.351 7.275 2.663 1.00 0.20 C ATOM 135 C THR A 10 -10.845 6.613 1.380 1.00 0.16 C ATOM 136 O THR A 10 -9.686 6.719 1.030 1.00 0.18 O ATOM 137 CB THR A 10 -11.336 6.254 3.804 1.00 0.21 C ATOM 138 OG1 THR A 10 -12.205 6.690 4.839 1.00 0.29 O ATOM 139 CG2 THR A 10 -9.914 6.119 4.351 1.00 0.16 C ATOM 0 H THR A 10 -13.440 7.375 3.088 1.00 0.27 H new ATOM 0 HA THR A 10 -10.704 8.115 2.917 1.00 0.20 H new ATOM 0 HB THR A 10 -11.672 5.287 3.431 1.00 0.21 H new ATOM 0 HG1 THR A 10 -12.198 6.036 5.569 1.00 0.29 H new ATOM 0 HG21 THR A 10 -9.904 5.392 5.163 1.00 0.16 H new ATOM 0 HG22 THR A 10 -9.249 5.784 3.556 1.00 0.16 H new ATOM 0 HG23 THR A 10 -9.575 7.085 4.725 1.00 0.16 H new ATOM 147 N LEU A 11 -11.706 5.932 0.675 1.00 0.35 N ATOM 148 CA LEU A 11 -11.273 5.266 -0.586 1.00 0.35 C ATOM 149 C LEU A 11 -10.973 6.327 -1.646 1.00 0.34 C ATOM 150 O LEU A 11 -10.349 6.055 -2.652 1.00 0.36 O ATOM 151 CB LEU A 11 -12.390 4.346 -1.086 1.00 0.39 C ATOM 152 CG LEU A 11 -12.826 3.410 0.042 1.00 0.40 C ATOM 153 CD1 LEU A 11 -13.937 2.487 -0.461 1.00 0.52 C ATOM 154 CD2 LEU A 11 -11.630 2.567 0.494 1.00 0.32 C ATOM 0 H LEU A 11 -12.689 5.808 0.917 1.00 0.35 H new ATOM 0 HA LEU A 11 -10.375 4.678 -0.397 1.00 0.35 H new ATOM 0 HB2 LEU A 11 -13.238 4.939 -1.428 1.00 0.39 H new ATOM 0 HB3 LEU A 11 -12.042 3.765 -1.940 1.00 0.39 H new ATOM 0 HG LEU A 11 -13.196 3.999 0.881 1.00 0.40 H new ATOM 0 HD11 LEU A 11 -14.248 1.820 0.343 1.00 0.52 H new ATOM 0 HD12 LEU A 11 -14.788 3.086 -0.785 1.00 0.52 H new ATOM 0 HD13 LEU A 11 -13.568 1.897 -1.300 1.00 0.52 H new ATOM 0 HD21 LEU A 11 -11.939 1.899 1.298 1.00 0.32 H new ATOM 0 HD22 LEU A 11 -11.262 1.978 -0.346 1.00 0.32 H new ATOM 0 HD23 LEU A 11 -10.837 3.223 0.852 1.00 0.32 H new ATOM 166 N GLN A 12 -11.412 7.537 -1.427 1.00 0.32 N ATOM 167 CA GLN A 12 -11.150 8.615 -2.423 1.00 0.32 C ATOM 168 C GLN A 12 -9.753 9.195 -2.192 1.00 0.29 C ATOM 169 O GLN A 12 -8.928 9.225 -3.084 1.00 0.48 O ATOM 170 CB GLN A 12 -12.194 9.722 -2.262 1.00 0.31 C ATOM 171 CG GLN A 12 -12.143 10.654 -3.474 1.00 0.35 C ATOM 172 CD GLN A 12 -12.539 12.069 -3.047 1.00 0.85 C ATOM 173 OE1 GLN A 12 -13.499 12.619 -3.548 1.00 0.93 O ATOM 174 NE2 GLN A 12 -11.836 12.684 -2.136 1.00 2.06 N ATOM 0 H GLN A 12 -11.940 7.825 -0.603 1.00 0.32 H new ATOM 0 HA GLN A 12 -11.210 8.202 -3.430 1.00 0.32 H new ATOM 0 HB2 GLN A 12 -13.189 9.287 -2.167 1.00 0.31 H new ATOM 0 HB3 GLN A 12 -12.004 10.286 -1.349 1.00 0.31 H new ATOM 0 HG2 GLN A 12 -11.140 10.659 -3.900 1.00 0.35 H new ATOM 0 HG3 GLN A 12 -12.818 10.295 -4.251 1.00 0.35 H new ATOM 0 HE21 GLN A 12 -11.030 12.222 -1.716 1.00 2.06 H new ATOM 0 HE22 GLN A 12 -12.093 13.627 -1.844 1.00 2.06 H new ATOM 183 N GLU A 13 -9.481 9.653 -1.001 1.00 0.11 N ATOM 184 CA GLU A 13 -8.136 10.230 -0.716 1.00 0.08 C ATOM 185 C GLU A 13 -7.067 9.154 -0.915 1.00 0.12 C ATOM 186 O GLU A 13 -5.928 9.446 -1.220 1.00 0.13 O ATOM 187 CB GLU A 13 -8.093 10.730 0.730 1.00 0.11 C ATOM 188 CG GLU A 13 -8.301 9.555 1.685 1.00 0.33 C ATOM 189 CD GLU A 13 -8.503 10.080 3.108 1.00 1.15 C ATOM 190 OE1 GLU A 13 -9.489 10.764 3.330 1.00 2.28 O ATOM 191 OE2 GLU A 13 -7.669 9.792 3.949 1.00 1.26 O ATOM 0 H GLU A 13 -10.130 9.653 -0.214 1.00 0.11 H new ATOM 0 HA GLU A 13 -7.945 11.061 -1.395 1.00 0.08 H new ATOM 0 HB2 GLU A 13 -7.135 11.210 0.931 1.00 0.11 H new ATOM 0 HB3 GLU A 13 -8.866 11.482 0.889 1.00 0.11 H new ATOM 0 HG2 GLU A 13 -9.168 8.971 1.376 1.00 0.33 H new ATOM 0 HG3 GLU A 13 -7.439 8.889 1.651 1.00 0.33 H new ATOM 198 N ILE A 14 -7.425 7.911 -0.746 1.00 0.16 N ATOM 199 CA ILE A 14 -6.428 6.818 -0.926 1.00 0.21 C ATOM 200 C ILE A 14 -6.149 6.623 -2.417 1.00 0.19 C ATOM 201 O ILE A 14 -5.021 6.708 -2.863 1.00 0.25 O ATOM 202 CB ILE A 14 -6.985 5.519 -0.339 1.00 0.24 C ATOM 203 CG1 ILE A 14 -6.876 5.563 1.187 1.00 0.26 C ATOM 204 CG2 ILE A 14 -6.179 4.332 -0.871 1.00 0.27 C ATOM 205 CD1 ILE A 14 -7.703 4.426 1.792 1.00 0.29 C ATOM 0 H ILE A 14 -8.364 7.605 -0.491 1.00 0.16 H new ATOM 0 HA ILE A 14 -5.503 7.082 -0.414 1.00 0.21 H new ATOM 0 HB ILE A 14 -8.030 5.408 -0.628 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -5.833 5.469 1.490 1.00 0.26 H new ATOM 0 HG13 ILE A 14 -7.232 6.524 1.560 1.00 0.26 H new ATOM 0 HG21 ILE A 14 -6.575 3.407 -0.453 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -6.253 4.300 -1.958 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -5.134 4.443 -0.581 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -7.625 4.458 2.879 1.00 0.29 H new ATOM 0 HD12 ILE A 14 -8.747 4.540 1.500 1.00 0.29 H new ATOM 0 HD13 ILE A 14 -7.327 3.469 1.429 1.00 0.29 H new ATOM 217 N ILE A 15 -7.165 6.362 -3.193 1.00 0.14 N ATOM 218 CA ILE A 15 -6.956 6.162 -4.655 1.00 0.15 C ATOM 219 C ILE A 15 -6.064 7.278 -5.203 1.00 0.17 C ATOM 220 O ILE A 15 -5.069 7.027 -5.853 1.00 0.16 O ATOM 221 CB ILE A 15 -8.307 6.191 -5.372 1.00 0.15 C ATOM 222 CG1 ILE A 15 -9.058 4.887 -5.093 1.00 0.17 C ATOM 223 CG2 ILE A 15 -8.084 6.337 -6.878 1.00 0.22 C ATOM 224 CD1 ILE A 15 -10.515 5.031 -5.540 1.00 0.20 C ATOM 0 H ILE A 15 -8.131 6.279 -2.878 1.00 0.14 H new ATOM 0 HA ILE A 15 -6.475 5.198 -4.823 1.00 0.15 H new ATOM 0 HB ILE A 15 -8.893 7.035 -5.009 1.00 0.15 H new ATOM 0 HG12 ILE A 15 -8.584 4.061 -5.623 1.00 0.17 H new ATOM 0 HG13 ILE A 15 -9.014 4.650 -4.030 1.00 0.17 H new ATOM 0 HG21 ILE A 15 -9.047 6.358 -7.388 1.00 0.22 H new ATOM 0 HG22 ILE A 15 -7.547 7.264 -7.078 1.00 0.22 H new ATOM 0 HG23 ILE A 15 -7.498 5.493 -7.243 1.00 0.22 H new ATOM 0 HD11 ILE A 15 -11.050 4.102 -5.341 1.00 0.20 H new ATOM 0 HD12 ILE A 15 -10.986 5.846 -4.990 1.00 0.20 H new ATOM 0 HD13 ILE A 15 -10.548 5.248 -6.608 1.00 0.20 H new ATOM 236 N LYS A 16 -6.412 8.509 -4.946 1.00 0.20 N ATOM 237 CA LYS A 16 -5.585 9.639 -5.454 1.00 0.23 C ATOM 238 C LYS A 16 -4.150 9.491 -4.940 1.00 0.20 C ATOM 239 O LYS A 16 -3.197 9.721 -5.659 1.00 0.21 O ATOM 240 CB LYS A 16 -6.170 10.964 -4.959 1.00 0.28 C ATOM 241 CG LYS A 16 -7.457 11.275 -5.726 1.00 0.63 C ATOM 242 CD LYS A 16 -7.955 12.672 -5.347 1.00 0.45 C ATOM 243 CE LYS A 16 -8.246 12.724 -3.846 1.00 0.79 C ATOM 244 NZ LYS A 16 -9.261 13.780 -3.573 1.00 1.41 N ATOM 0 H LYS A 16 -7.234 8.781 -4.406 1.00 0.20 H new ATOM 0 HA LYS A 16 -5.585 9.628 -6.544 1.00 0.23 H new ATOM 0 HB2 LYS A 16 -6.377 10.905 -3.890 1.00 0.28 H new ATOM 0 HB3 LYS A 16 -5.447 11.768 -5.100 1.00 0.28 H new ATOM 0 HG2 LYS A 16 -7.275 11.222 -6.799 1.00 0.63 H new ATOM 0 HG3 LYS A 16 -8.219 10.531 -5.495 1.00 0.63 H new ATOM 0 HD2 LYS A 16 -7.206 13.419 -5.608 1.00 0.45 H new ATOM 0 HD3 LYS A 16 -8.856 12.913 -5.911 1.00 0.45 H new ATOM 0 HE2 LYS A 16 -8.611 11.756 -3.502 1.00 0.79 H new ATOM 0 HE3 LYS A 16 -7.330 12.934 -3.294 1.00 0.79 H new ATOM 0 HZ1 LYS A 16 -9.459 13.816 -2.553 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -8.896 14.702 -3.887 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -10.137 13.561 -4.088 1.00 1.41 H new ATOM 258 N THR A 17 -3.988 9.110 -3.703 1.00 0.19 N ATOM 259 CA THR A 17 -2.615 8.948 -3.148 1.00 0.16 C ATOM 260 C THR A 17 -1.830 7.957 -4.009 1.00 0.18 C ATOM 261 O THR A 17 -0.736 8.239 -4.456 1.00 0.26 O ATOM 262 CB THR A 17 -2.703 8.421 -1.714 1.00 0.17 C ATOM 263 OG1 THR A 17 -3.580 9.245 -0.961 1.00 0.19 O ATOM 264 CG2 THR A 17 -1.313 8.435 -1.077 1.00 0.14 C ATOM 0 H THR A 17 -4.747 8.904 -3.053 1.00 0.19 H new ATOM 0 HA THR A 17 -2.107 9.912 -3.150 1.00 0.16 H new ATOM 0 HB THR A 17 -3.084 7.400 -1.725 1.00 0.17 H new ATOM 0 HG1 THR A 17 -4.500 8.922 -1.062 1.00 0.19 H new ATOM 0 HG21 THR A 17 -1.377 8.059 -0.056 1.00 0.14 H new ATOM 0 HG22 THR A 17 -0.641 7.801 -1.655 1.00 0.14 H new ATOM 0 HG23 THR A 17 -0.928 9.455 -1.065 1.00 0.14 H new ATOM 272 N LEU A 18 -2.380 6.798 -4.247 1.00 0.13 N ATOM 273 CA LEU A 18 -1.664 5.791 -5.079 1.00 0.15 C ATOM 274 C LEU A 18 -1.257 6.425 -6.410 1.00 0.14 C ATOM 275 O LEU A 18 -0.143 6.272 -6.868 1.00 0.19 O ATOM 276 CB LEU A 18 -2.588 4.599 -5.344 1.00 0.16 C ATOM 277 CG LEU A 18 -3.147 4.080 -4.018 1.00 0.13 C ATOM 278 CD1 LEU A 18 -4.066 2.886 -4.283 1.00 0.16 C ATOM 279 CD2 LEU A 18 -1.993 3.644 -3.113 1.00 0.40 C ATOM 0 H LEU A 18 -3.294 6.505 -3.901 1.00 0.13 H new ATOM 0 HA LEU A 18 -0.773 5.451 -4.551 1.00 0.15 H new ATOM 0 HB2 LEU A 18 -3.404 4.897 -6.003 1.00 0.16 H new ATOM 0 HB3 LEU A 18 -2.040 3.807 -5.854 1.00 0.16 H new ATOM 0 HG LEU A 18 -3.713 4.872 -3.529 1.00 0.13 H new ATOM 0 HD11 LEU A 18 -4.464 2.516 -3.338 1.00 0.16 H new ATOM 0 HD12 LEU A 18 -4.889 3.196 -4.927 1.00 0.16 H new ATOM 0 HD13 LEU A 18 -3.501 2.093 -4.773 1.00 0.16 H new ATOM 0 HD21 LEU A 18 -2.391 3.274 -2.168 1.00 0.40 H new ATOM 0 HD22 LEU A 18 -1.426 2.852 -3.602 1.00 0.40 H new ATOM 0 HD23 LEU A 18 -1.338 4.495 -2.923 1.00 0.40 H new ATOM 291 N ASN A 19 -2.153 7.139 -7.036 1.00 0.19 N ATOM 292 CA ASN A 19 -1.816 7.784 -8.337 1.00 0.26 C ATOM 293 C ASN A 19 -0.573 8.659 -8.165 1.00 0.31 C ATOM 294 O ASN A 19 0.294 8.695 -9.016 1.00 0.41 O ATOM 295 CB ASN A 19 -2.991 8.651 -8.796 1.00 0.28 C ATOM 296 CG ASN A 19 -4.118 7.753 -9.312 1.00 0.30 C ATOM 297 OD1 ASN A 19 -5.258 7.906 -8.922 1.00 1.16 O ATOM 298 ND2 ASN A 19 -3.845 6.816 -10.178 1.00 1.34 N ATOM 0 H ASN A 19 -3.103 7.303 -6.703 1.00 0.19 H new ATOM 0 HA ASN A 19 -1.619 7.015 -9.084 1.00 0.26 H new ATOM 0 HB2 ASN A 19 -3.350 9.263 -7.969 1.00 0.28 H new ATOM 0 HB3 ASN A 19 -2.668 9.334 -9.581 1.00 0.28 H new ATOM 0 HD21 ASN A 19 -4.589 6.212 -10.527 1.00 1.34 H new ATOM 0 HD22 ASN A 19 -2.888 6.688 -10.506 1.00 1.34 H new ATOM 305 N SER A 20 -0.479 9.364 -7.072 1.00 0.28 N ATOM 306 CA SER A 20 0.709 10.235 -6.847 1.00 0.34 C ATOM 307 C SER A 20 1.980 9.387 -6.895 1.00 0.43 C ATOM 308 O SER A 20 2.941 9.728 -7.558 1.00 0.62 O ATOM 309 CB SER A 20 0.596 10.908 -5.479 1.00 0.30 C ATOM 310 OG SER A 20 -0.629 11.625 -5.407 1.00 0.36 O ATOM 0 H SER A 20 -1.173 9.375 -6.325 1.00 0.28 H new ATOM 0 HA SER A 20 0.752 10.998 -7.624 1.00 0.34 H new ATOM 0 HB2 SER A 20 0.639 10.159 -4.688 1.00 0.30 H new ATOM 0 HB3 SER A 20 1.436 11.585 -5.324 1.00 0.30 H new ATOM 0 HG SER A 20 -0.705 12.056 -4.530 1.00 0.36 H new ATOM 316 N LEU A 21 1.996 8.284 -6.199 1.00 0.33 N ATOM 317 CA LEU A 21 3.207 7.415 -6.206 1.00 0.45 C ATOM 318 C LEU A 21 3.406 6.828 -7.605 1.00 0.45 C ATOM 319 O LEU A 21 4.492 6.851 -8.148 1.00 0.66 O ATOM 320 CB LEU A 21 3.025 6.278 -5.198 1.00 0.41 C ATOM 321 CG LEU A 21 2.615 6.857 -3.842 1.00 0.62 C ATOM 322 CD1 LEU A 21 2.460 5.722 -2.828 1.00 0.48 C ATOM 323 CD2 LEU A 21 3.693 7.830 -3.357 1.00 1.43 C ATOM 0 H LEU A 21 1.223 7.947 -5.626 1.00 0.33 H new ATOM 0 HA LEU A 21 4.080 8.007 -5.933 1.00 0.45 H new ATOM 0 HB2 LEU A 21 2.265 5.582 -5.553 1.00 0.41 H new ATOM 0 HB3 LEU A 21 3.952 5.714 -5.099 1.00 0.41 H new ATOM 0 HG LEU A 21 1.667 7.385 -3.944 1.00 0.62 H new ATOM 0 HD11 LEU A 21 2.168 6.134 -1.862 1.00 0.48 H new ATOM 0 HD12 LEU A 21 1.694 5.028 -3.173 1.00 0.48 H new ATOM 0 HD13 LEU A 21 3.408 5.194 -2.725 1.00 0.48 H new ATOM 0 HD21 LEU A 21 3.402 8.243 -2.391 1.00 1.43 H new ATOM 0 HD22 LEU A 21 4.641 7.302 -3.255 1.00 1.43 H new ATOM 0 HD23 LEU A 21 3.804 8.639 -4.079 1.00 1.43 H new ATOM 335 N THR A 22 2.366 6.304 -8.193 1.00 0.36 N ATOM 336 CA THR A 22 2.498 5.717 -9.556 1.00 0.57 C ATOM 337 C THR A 22 3.245 6.697 -10.463 1.00 0.76 C ATOM 338 O THR A 22 3.962 6.303 -11.361 1.00 1.04 O ATOM 339 CB THR A 22 1.107 5.447 -10.133 1.00 0.63 C ATOM 340 OG1 THR A 22 0.398 6.673 -10.247 1.00 0.57 O ATOM 341 CG2 THR A 22 0.344 4.497 -9.209 1.00 0.60 C ATOM 0 H THR A 22 1.431 6.257 -7.789 1.00 0.36 H new ATOM 0 HA THR A 22 3.054 4.781 -9.496 1.00 0.57 H new ATOM 0 HB THR A 22 1.204 4.990 -11.118 1.00 0.63 H new ATOM 0 HG1 THR A 22 0.719 7.301 -9.566 1.00 0.57 H new ATOM 0 HG21 THR A 22 -0.647 4.306 -9.621 1.00 0.60 H new ATOM 0 HG22 THR A 22 0.889 3.557 -9.123 1.00 0.60 H new ATOM 0 HG23 THR A 22 0.245 4.950 -8.223 1.00 0.60 H new ATOM 349 N GLU A 23 3.084 7.972 -10.235 1.00 0.64 N ATOM 350 CA GLU A 23 3.786 8.975 -11.084 1.00 0.85 C ATOM 351 C GLU A 23 5.275 8.984 -10.736 1.00 0.88 C ATOM 352 O GLU A 23 6.116 9.241 -11.574 1.00 1.03 O ATOM 353 CB GLU A 23 3.193 10.363 -10.829 1.00 0.92 C ATOM 354 CG GLU A 23 1.768 10.420 -11.382 1.00 1.14 C ATOM 355 CD GLU A 23 1.082 11.698 -10.898 1.00 1.17 C ATOM 356 OE1 GLU A 23 1.367 12.747 -11.453 1.00 0.86 O ATOM 357 OE2 GLU A 23 0.284 11.608 -9.980 1.00 2.19 O ATOM 0 H GLU A 23 2.497 8.362 -9.498 1.00 0.64 H new ATOM 0 HA GLU A 23 3.660 8.714 -12.135 1.00 0.85 H new ATOM 0 HB2 GLU A 23 3.188 10.577 -9.760 1.00 0.92 H new ATOM 0 HB3 GLU A 23 3.809 11.126 -11.304 1.00 0.92 H new ATOM 0 HG2 GLU A 23 1.788 10.396 -12.472 1.00 1.14 H new ATOM 0 HG3 GLU A 23 1.205 9.546 -11.055 1.00 1.14 H new ATOM 364 N GLN A 24 5.607 8.707 -9.506 1.00 0.75 N ATOM 365 CA GLN A 24 7.042 8.699 -9.102 1.00 0.81 C ATOM 366 C GLN A 24 7.597 7.279 -9.228 1.00 0.66 C ATOM 367 O GLN A 24 6.880 6.308 -9.091 1.00 0.60 O ATOM 368 CB GLN A 24 7.167 9.170 -7.652 1.00 0.83 C ATOM 369 CG GLN A 24 8.460 9.971 -7.484 1.00 1.53 C ATOM 370 CD GLN A 24 8.237 11.405 -7.967 1.00 2.07 C ATOM 371 OE1 GLN A 24 7.844 12.262 -7.202 1.00 1.98 O ATOM 372 NE2 GLN A 24 8.474 11.705 -9.215 1.00 3.14 N ATOM 0 H GLN A 24 4.946 8.485 -8.761 1.00 0.75 H new ATOM 0 HA GLN A 24 7.607 9.369 -9.750 1.00 0.81 H new ATOM 0 HB2 GLN A 24 6.308 9.785 -7.383 1.00 0.83 H new ATOM 0 HB3 GLN A 24 7.168 8.313 -6.979 1.00 0.83 H new ATOM 0 HG2 GLN A 24 8.767 9.972 -6.438 1.00 1.53 H new ATOM 0 HG3 GLN A 24 9.265 9.505 -8.052 1.00 1.53 H new ATOM 0 HE21 GLN A 24 8.804 10.986 -9.859 1.00 3.14 H new ATOM 0 HE22 GLN A 24 8.329 12.659 -9.547 1.00 3.14 H new ATOM 381 N LYS A 25 8.870 7.150 -9.485 1.00 0.62 N ATOM 382 CA LYS A 25 9.468 5.791 -9.618 1.00 0.51 C ATOM 383 C LYS A 25 10.921 5.824 -9.138 1.00 0.48 C ATOM 384 O LYS A 25 11.833 6.060 -9.905 1.00 0.84 O ATOM 385 CB LYS A 25 9.425 5.356 -11.085 1.00 0.63 C ATOM 386 CG LYS A 25 8.170 4.515 -11.330 1.00 1.20 C ATOM 387 CD LYS A 25 8.102 4.122 -12.807 1.00 1.50 C ATOM 388 CE LYS A 25 7.253 5.142 -13.568 1.00 0.84 C ATOM 389 NZ LYS A 25 5.814 4.937 -13.238 1.00 1.75 N ATOM 0 H LYS A 25 9.521 7.925 -9.608 1.00 0.62 H new ATOM 0 HA LYS A 25 8.901 5.084 -9.013 1.00 0.51 H new ATOM 0 HB2 LYS A 25 9.422 6.231 -11.735 1.00 0.63 H new ATOM 0 HB3 LYS A 25 10.316 4.779 -11.331 1.00 0.63 H new ATOM 0 HG2 LYS A 25 8.190 3.622 -10.705 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.280 5.080 -11.051 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.106 4.081 -13.230 1.00 1.50 H new ATOM 0 HD3 LYS A 25 7.672 3.126 -12.910 1.00 1.50 H new ATOM 0 HE2 LYS A 25 7.557 6.154 -13.302 1.00 0.84 H new ATOM 0 HE3 LYS A 25 7.410 5.033 -14.641 1.00 0.84 H new ATOM 0 HZ1 LYS A 25 5.238 5.087 -14.091 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 5.672 3.967 -12.891 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 5.527 5.614 -12.502 1.00 1.75 H new ATOM 403 N THR A 26 11.143 5.586 -7.874 1.00 0.42 N ATOM 404 CA THR A 26 12.537 5.602 -7.347 1.00 0.46 C ATOM 405 C THR A 26 13.112 4.185 -7.383 1.00 0.44 C ATOM 406 O THR A 26 12.410 3.226 -7.636 1.00 0.54 O ATOM 407 CB THR A 26 12.530 6.113 -5.904 1.00 0.57 C ATOM 408 OG1 THR A 26 12.254 5.033 -5.022 1.00 0.49 O ATOM 409 CG2 THR A 26 11.454 7.189 -5.746 1.00 0.63 C ATOM 0 H THR A 26 10.420 5.381 -7.184 1.00 0.42 H new ATOM 0 HA THR A 26 13.151 6.259 -7.963 1.00 0.46 H new ATOM 0 HB THR A 26 13.504 6.539 -5.665 1.00 0.57 H new ATOM 0 HG1 THR A 26 12.251 5.358 -4.098 1.00 0.49 H new ATOM 0 HG21 THR A 26 11.450 7.552 -4.718 1.00 0.63 H new ATOM 0 HG22 THR A 26 11.666 8.017 -6.422 1.00 0.63 H new ATOM 0 HG23 THR A 26 10.478 6.766 -5.985 1.00 0.63 H new ATOM 417 N LEU A 27 14.385 4.044 -7.132 1.00 0.49 N ATOM 418 CA LEU A 27 15.002 2.688 -7.152 1.00 0.47 C ATOM 419 C LEU A 27 14.289 1.792 -6.137 1.00 0.51 C ATOM 420 O LEU A 27 14.339 0.581 -6.220 1.00 0.54 O ATOM 421 CB LEU A 27 16.492 2.804 -6.804 1.00 0.55 C ATOM 422 CG LEU A 27 16.675 2.903 -5.280 1.00 0.46 C ATOM 423 CD1 LEU A 27 16.741 1.508 -4.635 1.00 0.48 C ATOM 424 CD2 LEU A 27 17.976 3.654 -4.982 1.00 0.46 C ATOM 0 H LEU A 27 15.024 4.809 -6.914 1.00 0.49 H new ATOM 0 HA LEU A 27 14.902 2.248 -8.144 1.00 0.47 H new ATOM 0 HB2 LEU A 27 17.031 1.937 -7.187 1.00 0.55 H new ATOM 0 HB3 LEU A 27 16.918 3.683 -7.287 1.00 0.55 H new ATOM 0 HG LEU A 27 15.820 3.435 -4.863 1.00 0.46 H new ATOM 0 HD11 LEU A 27 16.871 1.611 -3.558 1.00 0.48 H new ATOM 0 HD12 LEU A 27 15.816 0.969 -4.839 1.00 0.48 H new ATOM 0 HD13 LEU A 27 17.583 0.955 -5.050 1.00 0.48 H new ATOM 0 HD21 LEU A 27 18.114 3.729 -3.903 1.00 0.46 H new ATOM 0 HD22 LEU A 27 18.816 3.114 -5.419 1.00 0.46 H new ATOM 0 HD23 LEU A 27 17.925 4.654 -5.412 1.00 0.46 H new ATOM 436 N CYS A 28 13.618 2.378 -5.184 1.00 0.53 N ATOM 437 CA CYS A 28 12.897 1.559 -4.168 1.00 0.58 C ATOM 438 C CYS A 28 11.753 0.802 -4.845 1.00 0.68 C ATOM 439 O CYS A 28 11.006 0.088 -4.206 1.00 0.83 O ATOM 440 CB CYS A 28 12.328 2.479 -3.084 1.00 0.58 C ATOM 441 SG CYS A 28 12.534 1.707 -1.458 1.00 0.53 S ATOM 0 H CYS A 28 13.538 3.388 -5.065 1.00 0.53 H new ATOM 0 HA CYS A 28 13.588 0.847 -3.716 1.00 0.58 H new ATOM 0 HB2 CYS A 28 12.837 3.442 -3.107 1.00 0.58 H new ATOM 0 HB3 CYS A 28 11.272 2.672 -3.275 1.00 0.58 H new ATOM 446 N THR A 29 11.611 0.954 -6.133 1.00 0.61 N ATOM 447 CA THR A 29 10.514 0.244 -6.850 1.00 0.71 C ATOM 448 C THR A 29 11.037 -1.087 -7.392 1.00 0.75 C ATOM 449 O THR A 29 10.300 -1.871 -7.957 1.00 1.04 O ATOM 450 CB THR A 29 10.021 1.110 -8.012 1.00 0.80 C ATOM 451 OG1 THR A 29 11.126 1.490 -8.819 1.00 0.97 O ATOM 452 CG2 THR A 29 9.333 2.361 -7.464 1.00 0.80 C ATOM 0 H THR A 29 12.206 1.539 -6.720 1.00 0.61 H new ATOM 0 HA THR A 29 9.690 0.057 -6.161 1.00 0.71 H new ATOM 0 HB THR A 29 9.310 0.542 -8.612 1.00 0.80 H new ATOM 0 HG1 THR A 29 11.361 2.423 -8.633 1.00 0.97 H new ATOM 0 HG21 THR A 29 8.983 2.976 -8.293 1.00 0.80 H new ATOM 0 HG22 THR A 29 8.485 2.068 -6.846 1.00 0.80 H new ATOM 0 HG23 THR A 29 10.041 2.931 -6.862 1.00 0.80 H new ATOM 460 N GLU A 30 12.305 -1.350 -7.227 1.00 0.63 N ATOM 461 CA GLU A 30 12.873 -2.631 -7.734 1.00 0.64 C ATOM 462 C GLU A 30 12.771 -3.702 -6.645 1.00 0.60 C ATOM 463 O GLU A 30 12.766 -4.884 -6.922 1.00 0.85 O ATOM 464 CB GLU A 30 14.341 -2.425 -8.109 1.00 0.60 C ATOM 465 CG GLU A 30 14.564 -2.860 -9.559 1.00 0.59 C ATOM 466 CD GLU A 30 13.803 -1.921 -10.497 1.00 1.75 C ATOM 467 OE1 GLU A 30 14.244 -0.795 -10.660 1.00 2.30 O ATOM 468 OE2 GLU A 30 12.794 -2.343 -11.037 1.00 2.86 O ATOM 0 H GLU A 30 12.972 -0.733 -6.763 1.00 0.63 H new ATOM 0 HA GLU A 30 12.314 -2.952 -8.613 1.00 0.64 H new ATOM 0 HB2 GLU A 30 14.615 -1.377 -7.986 1.00 0.60 H new ATOM 0 HB3 GLU A 30 14.982 -3.002 -7.442 1.00 0.60 H new ATOM 0 HG2 GLU A 30 15.628 -2.843 -9.795 1.00 0.59 H new ATOM 0 HG3 GLU A 30 14.223 -3.886 -9.699 1.00 0.59 H new ATOM 475 N LEU A 31 12.690 -3.296 -5.406 1.00 0.48 N ATOM 476 CA LEU A 31 12.588 -4.291 -4.301 1.00 0.43 C ATOM 477 C LEU A 31 11.324 -5.131 -4.486 1.00 0.47 C ATOM 478 O LEU A 31 10.268 -4.621 -4.805 1.00 0.72 O ATOM 479 CB LEU A 31 12.523 -3.557 -2.960 1.00 0.41 C ATOM 480 CG LEU A 31 13.654 -2.530 -2.883 1.00 0.39 C ATOM 481 CD1 LEU A 31 13.618 -1.832 -1.523 1.00 0.41 C ATOM 482 CD2 LEU A 31 14.998 -3.241 -3.056 1.00 0.32 C ATOM 0 H LEU A 31 12.690 -2.319 -5.112 1.00 0.48 H new ATOM 0 HA LEU A 31 13.461 -4.943 -4.316 1.00 0.43 H new ATOM 0 HB2 LEU A 31 11.559 -3.060 -2.852 1.00 0.41 H new ATOM 0 HB3 LEU A 31 12.608 -4.269 -2.139 1.00 0.41 H new ATOM 0 HG LEU A 31 13.528 -1.790 -3.674 1.00 0.39 H new ATOM 0 HD11 LEU A 31 14.424 -1.100 -1.468 1.00 0.41 H new ATOM 0 HD12 LEU A 31 12.660 -1.327 -1.399 1.00 0.41 H new ATOM 0 HD13 LEU A 31 13.744 -2.571 -0.731 1.00 0.41 H new ATOM 0 HD21 LEU A 31 15.806 -2.511 -3.001 1.00 0.32 H new ATOM 0 HD22 LEU A 31 15.123 -3.980 -2.265 1.00 0.32 H new ATOM 0 HD23 LEU A 31 15.024 -3.739 -4.025 1.00 0.32 H new ATOM 494 N THR A 32 11.421 -6.417 -4.288 1.00 0.32 N ATOM 495 CA THR A 32 10.223 -7.290 -4.451 1.00 0.34 C ATOM 496 C THR A 32 9.489 -7.402 -3.114 1.00 0.35 C ATOM 497 O THR A 32 10.044 -7.840 -2.125 1.00 0.34 O ATOM 498 CB THR A 32 10.665 -8.681 -4.911 1.00 0.33 C ATOM 499 OG1 THR A 32 11.562 -9.230 -3.955 1.00 0.24 O ATOM 500 CG2 THR A 32 11.362 -8.576 -6.267 1.00 0.39 C ATOM 0 H THR A 32 12.278 -6.901 -4.020 1.00 0.32 H new ATOM 0 HA THR A 32 9.555 -6.857 -5.196 1.00 0.34 H new ATOM 0 HB THR A 32 9.792 -9.327 -5.005 1.00 0.33 H new ATOM 0 HG1 THR A 32 11.259 -9.000 -3.052 1.00 0.24 H new ATOM 0 HG21 THR A 32 11.676 -9.568 -6.593 1.00 0.39 H new ATOM 0 HG22 THR A 32 10.673 -8.155 -6.999 1.00 0.39 H new ATOM 0 HG23 THR A 32 12.235 -7.930 -6.178 1.00 0.39 H new ATOM 508 N VAL A 33 8.244 -7.013 -3.075 1.00 0.36 N ATOM 509 CA VAL A 33 7.473 -7.097 -1.803 1.00 0.37 C ATOM 510 C VAL A 33 6.695 -8.414 -1.764 1.00 0.37 C ATOM 511 O VAL A 33 6.541 -9.086 -2.765 1.00 0.47 O ATOM 512 CB VAL A 33 6.493 -5.925 -1.723 1.00 0.39 C ATOM 513 CG1 VAL A 33 7.179 -4.651 -2.218 1.00 0.37 C ATOM 514 CG2 VAL A 33 5.273 -6.220 -2.598 1.00 0.37 C ATOM 0 H VAL A 33 7.727 -6.640 -3.871 1.00 0.36 H new ATOM 0 HA VAL A 33 8.161 -7.055 -0.958 1.00 0.37 H new ATOM 0 HB VAL A 33 6.175 -5.788 -0.690 1.00 0.39 H new ATOM 0 HG11 VAL A 33 6.481 -3.816 -2.161 1.00 0.37 H new ATOM 0 HG12 VAL A 33 8.048 -4.440 -1.595 1.00 0.37 H new ATOM 0 HG13 VAL A 33 7.498 -4.787 -3.251 1.00 0.37 H new ATOM 0 HG21 VAL A 33 4.574 -5.385 -2.541 1.00 0.37 H new ATOM 0 HG22 VAL A 33 5.591 -6.358 -3.631 1.00 0.37 H new ATOM 0 HG23 VAL A 33 4.783 -7.128 -2.245 1.00 0.37 H new ATOM 524 N THR A 34 6.203 -8.790 -0.615 1.00 0.38 N ATOM 525 CA THR A 34 5.435 -10.063 -0.513 1.00 0.38 C ATOM 526 C THR A 34 4.061 -9.882 -1.160 1.00 0.38 C ATOM 527 O THR A 34 3.385 -8.897 -0.938 1.00 0.48 O ATOM 528 CB THR A 34 5.262 -10.437 0.960 1.00 0.38 C ATOM 529 OG1 THR A 34 6.515 -10.342 1.622 1.00 0.72 O ATOM 530 CG2 THR A 34 4.732 -11.869 1.066 1.00 0.60 C ATOM 0 H THR A 34 6.300 -8.270 0.257 1.00 0.38 H new ATOM 0 HA THR A 34 5.976 -10.857 -1.027 1.00 0.38 H new ATOM 0 HB THR A 34 4.552 -9.755 1.428 1.00 0.38 H new ATOM 0 HG1 THR A 34 6.405 -10.580 2.566 1.00 0.72 H new ATOM 0 HG21 THR A 34 4.609 -12.135 2.116 1.00 0.60 H new ATOM 0 HG22 THR A 34 3.770 -11.939 0.559 1.00 0.60 H new ATOM 0 HG23 THR A 34 5.439 -12.554 0.599 1.00 0.60 H new ATOM 538 N ASP A 35 3.641 -10.825 -1.957 1.00 0.32 N ATOM 539 CA ASP A 35 2.309 -10.707 -2.617 1.00 0.31 C ATOM 540 C ASP A 35 1.213 -11.121 -1.633 1.00 0.35 C ATOM 541 O ASP A 35 1.488 -11.575 -0.540 1.00 0.79 O ATOM 542 CB ASP A 35 2.265 -11.618 -3.845 1.00 0.31 C ATOM 543 CG ASP A 35 0.958 -11.389 -4.605 1.00 0.33 C ATOM 544 OD1 ASP A 35 0.526 -10.249 -4.669 1.00 1.06 O ATOM 545 OD2 ASP A 35 0.411 -12.355 -5.110 1.00 1.15 O ATOM 0 H ASP A 35 4.162 -11.673 -2.180 1.00 0.32 H new ATOM 0 HA ASP A 35 2.147 -9.674 -2.926 1.00 0.31 H new ATOM 0 HB2 ASP A 35 3.116 -11.412 -4.494 1.00 0.31 H new ATOM 0 HB3 ASP A 35 2.342 -12.661 -3.540 1.00 0.31 H new ATOM 550 N ILE A 36 -0.025 -10.970 -2.013 1.00 0.16 N ATOM 551 CA ILE A 36 -1.138 -11.357 -1.100 1.00 0.13 C ATOM 552 C ILE A 36 -2.322 -11.863 -1.925 1.00 0.13 C ATOM 553 O ILE A 36 -3.031 -12.765 -1.524 1.00 0.21 O ATOM 554 CB ILE A 36 -1.569 -10.141 -0.279 1.00 0.14 C ATOM 555 CG1 ILE A 36 -2.028 -9.027 -1.223 1.00 0.20 C ATOM 556 CG2 ILE A 36 -0.389 -9.643 0.558 1.00 0.14 C ATOM 557 CD1 ILE A 36 -2.288 -7.752 -0.419 1.00 0.22 C ATOM 0 H ILE A 36 -0.315 -10.595 -2.916 1.00 0.16 H new ATOM 0 HA ILE A 36 -0.800 -12.147 -0.429 1.00 0.13 H new ATOM 0 HB ILE A 36 -2.389 -10.422 0.382 1.00 0.14 H new ATOM 0 HG12 ILE A 36 -1.268 -8.842 -1.982 1.00 0.20 H new ATOM 0 HG13 ILE A 36 -2.934 -9.330 -1.747 1.00 0.20 H new ATOM 0 HG21 ILE A 36 -0.698 -8.776 1.143 1.00 0.14 H new ATOM 0 HG22 ILE A 36 -0.060 -10.435 1.230 1.00 0.14 H new ATOM 0 HG23 ILE A 36 0.432 -9.362 -0.102 1.00 0.14 H new ATOM 0 HD11 ILE A 36 -2.615 -6.958 -1.091 1.00 0.22 H new ATOM 0 HD12 ILE A 36 -3.064 -7.942 0.323 1.00 0.22 H new ATOM 0 HD13 ILE A 36 -1.371 -7.446 0.085 1.00 0.22 H new ATOM 569 N PHE A 37 -2.544 -11.289 -3.076 1.00 0.07 N ATOM 570 CA PHE A 37 -3.684 -11.737 -3.924 1.00 0.08 C ATOM 571 C PHE A 37 -3.331 -13.069 -4.589 1.00 0.14 C ATOM 572 O PHE A 37 -4.143 -13.671 -5.263 1.00 0.21 O ATOM 573 CB PHE A 37 -3.961 -10.686 -5.002 1.00 0.10 C ATOM 574 CG PHE A 37 -4.021 -9.317 -4.368 1.00 0.08 C ATOM 575 CD1 PHE A 37 -5.148 -8.938 -3.627 1.00 0.10 C ATOM 576 CD2 PHE A 37 -2.951 -8.427 -4.520 1.00 0.07 C ATOM 577 CE1 PHE A 37 -5.203 -7.668 -3.040 1.00 0.13 C ATOM 578 CE2 PHE A 37 -3.007 -7.158 -3.931 1.00 0.10 C ATOM 579 CZ PHE A 37 -4.133 -6.779 -3.192 1.00 0.14 C ATOM 0 H PHE A 37 -1.985 -10.530 -3.465 1.00 0.07 H new ATOM 0 HA PHE A 37 -4.571 -11.864 -3.304 1.00 0.08 H new ATOM 0 HB2 PHE A 37 -3.179 -10.713 -5.761 1.00 0.10 H new ATOM 0 HB3 PHE A 37 -4.902 -10.906 -5.506 1.00 0.10 H new ATOM 0 HD1 PHE A 37 -5.973 -9.625 -3.509 1.00 0.10 H new ATOM 0 HD2 PHE A 37 -2.082 -8.719 -5.092 1.00 0.07 H new ATOM 0 HE1 PHE A 37 -6.072 -7.374 -2.470 1.00 0.13 H new ATOM 0 HE2 PHE A 37 -2.181 -6.472 -4.047 1.00 0.10 H new ATOM 0 HZ PHE A 37 -4.176 -5.800 -2.739 1.00 0.14 H new ATOM 589 N ALA A 38 -2.126 -13.533 -4.405 1.00 0.11 N ATOM 590 CA ALA A 38 -1.722 -14.826 -5.026 1.00 0.17 C ATOM 591 C ALA A 38 -2.435 -15.978 -4.317 1.00 0.44 C ATOM 592 O ALA A 38 -2.199 -17.136 -4.600 1.00 0.60 O ATOM 593 CB ALA A 38 -0.208 -15.004 -4.896 1.00 0.12 C ATOM 0 H ALA A 38 -1.403 -13.073 -3.851 1.00 0.11 H new ATOM 0 HA ALA A 38 -1.997 -14.824 -6.081 1.00 0.17 H new ATOM 0 HB1 ALA A 38 0.087 -15.950 -5.350 1.00 0.12 H new ATOM 0 HB2 ALA A 38 0.300 -14.184 -5.403 1.00 0.12 H new ATOM 0 HB3 ALA A 38 0.069 -15.006 -3.842 1.00 0.12 H new ATOM 599 N ALA A 39 -3.304 -15.672 -3.394 1.00 0.51 N ATOM 600 CA ALA A 39 -4.031 -16.750 -2.666 1.00 0.81 C ATOM 601 C ALA A 39 -5.271 -16.163 -1.990 1.00 0.79 C ATOM 602 O ALA A 39 -5.530 -16.406 -0.827 1.00 0.78 O ATOM 603 CB ALA A 39 -3.111 -17.358 -1.605 1.00 0.95 C ATOM 0 H ALA A 39 -3.542 -14.721 -3.112 1.00 0.51 H new ATOM 0 HA ALA A 39 -4.334 -17.524 -3.371 1.00 0.81 H new ATOM 0 HB1 ALA A 39 -3.642 -18.147 -1.072 1.00 0.95 H new ATOM 0 HB2 ALA A 39 -2.227 -17.777 -2.086 1.00 0.95 H new ATOM 0 HB3 ALA A 39 -2.808 -16.584 -0.900 1.00 0.95 H new ATOM 609 N SER A 40 -6.041 -15.392 -2.708 1.00 0.86 N ATOM 610 CA SER A 40 -7.265 -14.791 -2.106 1.00 0.92 C ATOM 611 C SER A 40 -8.412 -15.803 -2.165 1.00 0.86 C ATOM 612 O SER A 40 -9.371 -15.626 -2.889 1.00 1.27 O ATOM 613 CB SER A 40 -7.653 -13.535 -2.886 1.00 0.99 C ATOM 614 OG SER A 40 -8.876 -13.023 -2.373 1.00 1.30 O ATOM 0 H SER A 40 -5.876 -15.152 -3.686 1.00 0.86 H new ATOM 0 HA SER A 40 -7.067 -14.526 -1.067 1.00 0.92 H new ATOM 0 HB2 SER A 40 -6.867 -12.784 -2.803 1.00 0.99 H new ATOM 0 HB3 SER A 40 -7.759 -13.769 -3.945 1.00 0.99 H new ATOM 0 HG SER A 40 -9.599 -13.660 -2.554 1.00 1.30 H new ATOM 620 N LYS A 41 -8.321 -16.862 -1.407 1.00 0.68 N ATOM 621 CA LYS A 41 -9.406 -17.883 -1.422 1.00 0.56 C ATOM 622 C LYS A 41 -10.418 -17.568 -0.318 1.00 0.38 C ATOM 623 O LYS A 41 -11.422 -16.925 -0.550 1.00 0.50 O ATOM 624 CB LYS A 41 -8.805 -19.270 -1.181 1.00 0.66 C ATOM 625 CG LYS A 41 -7.972 -19.684 -2.395 1.00 1.19 C ATOM 626 CD LYS A 41 -8.855 -20.447 -3.383 1.00 2.92 C ATOM 627 CE LYS A 41 -8.271 -20.324 -4.792 1.00 4.18 C ATOM 628 NZ LYS A 41 -6.791 -20.496 -4.733 1.00 3.52 N ATOM 0 H LYS A 41 -7.543 -17.064 -0.779 1.00 0.68 H new ATOM 0 HA LYS A 41 -9.907 -17.867 -2.390 1.00 0.56 H new ATOM 0 HB2 LYS A 41 -8.182 -19.258 -0.287 1.00 0.66 H new ATOM 0 HB3 LYS A 41 -9.599 -19.996 -1.007 1.00 0.66 H new ATOM 0 HG2 LYS A 41 -7.548 -18.803 -2.876 1.00 1.19 H new ATOM 0 HG3 LYS A 41 -7.136 -20.309 -2.080 1.00 1.19 H new ATOM 0 HD2 LYS A 41 -8.918 -21.496 -3.095 1.00 2.92 H new ATOM 0 HD3 LYS A 41 -9.869 -20.049 -3.363 1.00 2.92 H new ATOM 0 HE2 LYS A 41 -8.710 -21.077 -5.446 1.00 4.18 H new ATOM 0 HE3 LYS A 41 -8.518 -19.351 -5.216 1.00 4.18 H new ATOM 0 HZ1 LYS A 41 -6.444 -20.832 -5.654 1.00 3.52 H new ATOM 0 HZ2 LYS A 41 -6.344 -19.585 -4.506 1.00 3.52 H new ATOM 0 HZ3 LYS A 41 -6.551 -21.191 -3.998 1.00 3.52 H new ATOM 642 N ASP A 42 -10.162 -18.015 0.880 1.00 0.38 N ATOM 643 CA ASP A 42 -11.109 -17.741 1.997 1.00 0.44 C ATOM 644 C ASP A 42 -10.746 -16.411 2.660 1.00 0.62 C ATOM 645 O ASP A 42 -11.092 -16.158 3.797 1.00 0.98 O ATOM 646 CB ASP A 42 -11.021 -18.866 3.030 1.00 0.61 C ATOM 647 CG ASP A 42 -10.074 -19.953 2.520 1.00 1.66 C ATOM 648 OD1 ASP A 42 -8.874 -19.736 2.569 1.00 2.84 O ATOM 649 OD2 ASP A 42 -10.563 -20.984 2.089 1.00 1.77 O ATOM 0 H ASP A 42 -9.337 -18.559 1.134 1.00 0.38 H new ATOM 0 HA ASP A 42 -12.125 -17.687 1.605 1.00 0.44 H new ATOM 0 HB2 ASP A 42 -10.662 -18.473 3.981 1.00 0.61 H new ATOM 0 HB3 ASP A 42 -12.010 -19.286 3.211 1.00 0.61 H new ATOM 654 N THR A 43 -10.050 -15.558 1.959 1.00 0.57 N ATOM 655 CA THR A 43 -9.667 -14.246 2.550 1.00 0.72 C ATOM 656 C THR A 43 -10.727 -13.199 2.202 1.00 0.52 C ATOM 657 O THR A 43 -11.064 -13.001 1.051 1.00 0.53 O ATOM 658 CB THR A 43 -8.313 -13.808 1.985 1.00 0.92 C ATOM 659 OG1 THR A 43 -8.518 -13.057 0.797 1.00 1.09 O ATOM 660 CG2 THR A 43 -7.465 -15.042 1.672 1.00 1.80 C ATOM 0 H THR A 43 -9.730 -15.714 1.003 1.00 0.57 H new ATOM 0 HA THR A 43 -9.595 -14.343 3.633 1.00 0.72 H new ATOM 0 HB THR A 43 -7.795 -13.192 2.719 1.00 0.92 H new ATOM 0 HG1 THR A 43 -9.430 -13.205 0.470 1.00 1.09 H new ATOM 0 HG21 THR A 43 -6.501 -14.729 1.270 1.00 1.80 H new ATOM 0 HG22 THR A 43 -7.308 -15.617 2.585 1.00 1.80 H new ATOM 0 HG23 THR A 43 -7.981 -15.661 0.938 1.00 1.80 H new ATOM 668 N THR A 44 -11.255 -12.526 3.187 1.00 0.45 N ATOM 669 CA THR A 44 -12.294 -11.493 2.910 1.00 0.39 C ATOM 670 C THR A 44 -11.618 -10.139 2.685 1.00 0.36 C ATOM 671 O THR A 44 -10.423 -9.994 2.854 1.00 0.45 O ATOM 672 CB THR A 44 -13.246 -11.395 4.105 1.00 0.59 C ATOM 673 OG1 THR A 44 -12.500 -11.116 5.281 1.00 1.05 O ATOM 674 CG2 THR A 44 -13.994 -12.718 4.273 1.00 0.88 C ATOM 0 H THR A 44 -11.013 -12.646 4.171 1.00 0.45 H new ATOM 0 HA THR A 44 -12.856 -11.772 2.019 1.00 0.39 H new ATOM 0 HB THR A 44 -13.965 -10.594 3.933 1.00 0.59 H new ATOM 0 HG1 THR A 44 -13.108 -11.051 6.047 1.00 1.05 H new ATOM 0 HG21 THR A 44 -14.672 -12.647 5.124 1.00 0.88 H new ATOM 0 HG22 THR A 44 -14.567 -12.930 3.370 1.00 0.88 H new ATOM 0 HG23 THR A 44 -13.278 -13.522 4.445 1.00 0.88 H new ATOM 682 N GLU A 45 -12.373 -9.145 2.304 1.00 0.25 N ATOM 683 CA GLU A 45 -11.772 -7.802 2.068 1.00 0.25 C ATOM 684 C GLU A 45 -11.022 -7.350 3.322 1.00 0.26 C ATOM 685 O GLU A 45 -9.961 -6.763 3.245 1.00 0.24 O ATOM 686 CB GLU A 45 -12.881 -6.796 1.747 1.00 0.35 C ATOM 687 CG GLU A 45 -14.100 -7.539 1.198 1.00 0.53 C ATOM 688 CD GLU A 45 -15.023 -6.549 0.484 1.00 0.79 C ATOM 689 OE1 GLU A 45 -14.835 -5.358 0.667 1.00 1.87 O ATOM 690 OE2 GLU A 45 -15.901 -7.000 -0.233 1.00 1.08 O ATOM 0 H GLU A 45 -13.379 -9.205 2.146 1.00 0.25 H new ATOM 0 HA GLU A 45 -11.077 -7.858 1.230 1.00 0.25 H new ATOM 0 HB2 GLU A 45 -13.154 -6.241 2.644 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -12.526 -6.068 1.017 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -13.782 -8.320 0.507 1.00 0.53 H new ATOM 0 HG3 GLU A 45 -14.635 -8.031 2.010 1.00 0.53 H new ATOM 697 N LYS A 46 -11.564 -7.619 4.479 1.00 0.30 N ATOM 698 CA LYS A 46 -10.881 -7.206 5.736 1.00 0.33 C ATOM 699 C LYS A 46 -9.473 -7.805 5.774 1.00 0.29 C ATOM 700 O LYS A 46 -8.496 -7.107 5.963 1.00 0.35 O ATOM 701 CB LYS A 46 -11.681 -7.707 6.940 1.00 0.38 C ATOM 702 CG LYS A 46 -13.123 -7.205 6.840 1.00 0.41 C ATOM 703 CD LYS A 46 -13.437 -6.312 8.042 1.00 0.49 C ATOM 704 CE LYS A 46 -13.396 -7.147 9.323 1.00 2.11 C ATOM 705 NZ LYS A 46 -14.745 -7.149 9.958 1.00 2.57 N ATOM 0 H LYS A 46 -12.450 -8.107 4.607 1.00 0.30 H new ATOM 0 HA LYS A 46 -10.814 -6.119 5.771 1.00 0.33 H new ATOM 0 HB2 LYS A 46 -11.665 -8.796 6.972 1.00 0.38 H new ATOM 0 HB3 LYS A 46 -11.225 -7.354 7.865 1.00 0.38 H new ATOM 0 HG2 LYS A 46 -13.262 -6.648 5.913 1.00 0.41 H new ATOM 0 HG3 LYS A 46 -13.812 -8.049 6.811 1.00 0.41 H new ATOM 0 HD2 LYS A 46 -12.714 -5.498 8.102 1.00 0.49 H new ATOM 0 HD3 LYS A 46 -14.420 -5.857 7.923 1.00 0.49 H new ATOM 0 HE2 LYS A 46 -13.088 -8.167 9.095 1.00 2.11 H new ATOM 0 HE3 LYS A 46 -12.658 -6.738 10.013 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 -14.718 -7.717 10.829 1.00 2.57 H new ATOM 0 HZ2 LYS A 46 -15.021 -6.173 10.189 1.00 2.57 H new ATOM 0 HZ3 LYS A 46 -15.438 -7.558 9.300 1.00 2.57 H new ATOM 719 N GLU A 47 -9.362 -9.092 5.595 1.00 0.26 N ATOM 720 CA GLU A 47 -8.017 -9.735 5.622 1.00 0.29 C ATOM 721 C GLU A 47 -7.202 -9.263 4.415 1.00 0.24 C ATOM 722 O GLU A 47 -6.004 -9.450 4.353 1.00 0.35 O ATOM 723 CB GLU A 47 -8.178 -11.255 5.567 1.00 0.31 C ATOM 724 CG GLU A 47 -9.011 -11.724 6.761 1.00 0.28 C ATOM 725 CD GLU A 47 -9.112 -13.251 6.744 1.00 1.26 C ATOM 726 OE1 GLU A 47 -8.641 -13.846 5.789 1.00 1.99 O ATOM 727 OE2 GLU A 47 -9.659 -13.798 7.688 1.00 1.68 O ATOM 0 H GLU A 47 -10.144 -9.727 5.431 1.00 0.26 H new ATOM 0 HA GLU A 47 -7.499 -9.458 6.540 1.00 0.29 H new ATOM 0 HB2 GLU A 47 -8.663 -11.546 4.635 1.00 0.31 H new ATOM 0 HB3 GLU A 47 -7.200 -11.736 5.581 1.00 0.31 H new ATOM 0 HG2 GLU A 47 -8.553 -11.390 7.692 1.00 0.28 H new ATOM 0 HG3 GLU A 47 -10.007 -11.282 6.719 1.00 0.28 H new ATOM 734 N THR A 48 -7.844 -8.653 3.457 1.00 0.23 N ATOM 735 CA THR A 48 -7.105 -8.172 2.255 1.00 0.24 C ATOM 736 C THR A 48 -6.410 -6.847 2.580 1.00 0.24 C ATOM 737 O THR A 48 -5.265 -6.636 2.237 1.00 0.38 O ATOM 738 CB THR A 48 -8.089 -7.963 1.102 1.00 0.23 C ATOM 739 OG1 THR A 48 -8.943 -9.094 0.999 1.00 0.21 O ATOM 740 CG2 THR A 48 -7.315 -7.784 -0.206 1.00 0.34 C ATOM 0 H THR A 48 -8.847 -8.467 3.454 1.00 0.23 H new ATOM 0 HA THR A 48 -6.359 -8.912 1.966 1.00 0.24 H new ATOM 0 HB THR A 48 -8.688 -7.072 1.292 1.00 0.23 H new ATOM 0 HG1 THR A 48 -9.509 -9.150 1.797 1.00 0.21 H new ATOM 0 HG21 THR A 48 -8.017 -7.635 -1.027 1.00 0.34 H new ATOM 0 HG22 THR A 48 -6.661 -6.916 -0.126 1.00 0.34 H new ATOM 0 HG23 THR A 48 -6.715 -8.673 -0.398 1.00 0.34 H new ATOM 748 N PHE A 49 -7.096 -5.953 3.238 1.00 0.25 N ATOM 749 CA PHE A 49 -6.474 -4.644 3.582 1.00 0.25 C ATOM 750 C PHE A 49 -5.424 -4.848 4.675 1.00 0.25 C ATOM 751 O PHE A 49 -4.444 -4.134 4.749 1.00 0.28 O ATOM 752 CB PHE A 49 -7.554 -3.682 4.085 1.00 0.26 C ATOM 753 CG PHE A 49 -8.618 -3.521 3.027 1.00 0.25 C ATOM 754 CD1 PHE A 49 -8.326 -2.834 1.842 1.00 0.27 C ATOM 755 CD2 PHE A 49 -9.897 -4.057 3.228 1.00 0.26 C ATOM 756 CE1 PHE A 49 -9.312 -2.683 0.859 1.00 0.28 C ATOM 757 CE2 PHE A 49 -10.881 -3.905 2.245 1.00 0.27 C ATOM 758 CZ PHE A 49 -10.589 -3.219 1.060 1.00 0.27 C ATOM 0 H PHE A 49 -8.059 -6.073 3.552 1.00 0.25 H new ATOM 0 HA PHE A 49 -5.998 -4.225 2.696 1.00 0.25 H new ATOM 0 HB2 PHE A 49 -7.996 -4.064 5.005 1.00 0.26 H new ATOM 0 HB3 PHE A 49 -7.112 -2.714 4.322 1.00 0.26 H new ATOM 0 HD1 PHE A 49 -7.340 -2.421 1.686 1.00 0.27 H new ATOM 0 HD2 PHE A 49 -10.123 -4.587 4.141 1.00 0.26 H new ATOM 0 HE1 PHE A 49 -9.087 -2.153 -0.054 1.00 0.28 H new ATOM 0 HE2 PHE A 49 -11.867 -4.317 2.401 1.00 0.27 H new ATOM 0 HZ PHE A 49 -11.349 -3.104 0.301 1.00 0.27 H new ATOM 768 N CYS A 50 -5.619 -5.819 5.525 1.00 0.23 N ATOM 769 CA CYS A 50 -4.630 -6.066 6.613 1.00 0.23 C ATOM 770 C CYS A 50 -3.346 -6.643 6.013 1.00 0.21 C ATOM 771 O CYS A 50 -2.284 -6.064 6.126 1.00 0.21 O ATOM 772 CB CYS A 50 -5.215 -7.060 7.618 1.00 0.24 C ATOM 773 SG CYS A 50 -3.873 -7.818 8.566 1.00 0.27 S ATOM 0 H CYS A 50 -6.419 -6.451 5.513 1.00 0.23 H new ATOM 0 HA CYS A 50 -4.405 -5.128 7.120 1.00 0.23 H new ATOM 0 HB2 CYS A 50 -5.906 -6.551 8.289 1.00 0.24 H new ATOM 0 HB3 CYS A 50 -5.785 -7.828 7.096 1.00 0.24 H new ATOM 778 N ARG A 51 -3.435 -7.779 5.377 1.00 0.19 N ATOM 779 CA ARG A 51 -2.219 -8.391 4.773 1.00 0.17 C ATOM 780 C ARG A 51 -1.469 -7.334 3.958 1.00 0.17 C ATOM 781 O ARG A 51 -0.261 -7.224 4.028 1.00 0.19 O ATOM 782 CB ARG A 51 -2.629 -9.545 3.856 1.00 0.15 C ATOM 783 CG ARG A 51 -3.121 -10.720 4.702 1.00 0.18 C ATOM 784 CD ARG A 51 -3.374 -11.930 3.801 1.00 0.23 C ATOM 785 NE ARG A 51 -3.777 -13.096 4.635 1.00 1.18 N ATOM 786 CZ ARG A 51 -4.325 -14.140 4.076 1.00 1.30 C ATOM 787 NH1 ARG A 51 -4.519 -14.162 2.785 1.00 0.39 N ATOM 788 NH2 ARG A 51 -4.678 -15.162 4.807 1.00 2.45 N ATOM 0 H ARG A 51 -4.297 -8.309 5.250 1.00 0.19 H new ATOM 0 HA ARG A 51 -1.571 -8.769 5.564 1.00 0.17 H new ATOM 0 HB2 ARG A 51 -3.415 -9.220 3.174 1.00 0.15 H new ATOM 0 HB3 ARG A 51 -1.783 -9.854 3.243 1.00 0.15 H new ATOM 0 HG2 ARG A 51 -2.381 -10.969 5.463 1.00 0.18 H new ATOM 0 HG3 ARG A 51 -4.037 -10.446 5.226 1.00 0.18 H new ATOM 0 HD2 ARG A 51 -4.156 -11.700 3.077 1.00 0.23 H new ATOM 0 HD3 ARG A 51 -2.474 -12.169 3.234 1.00 0.23 H new ATOM 0 HE ARG A 51 -3.625 -13.079 5.643 1.00 1.18 H new ATOM 0 HH11 ARG A 51 -4.242 -13.363 2.214 1.00 0.39 H new ATOM 0 HH12 ARG A 51 -4.947 -14.978 2.347 1.00 0.39 H new ATOM 0 HH21 ARG A 51 -4.526 -15.145 5.815 1.00 2.45 H new ATOM 0 HH22 ARG A 51 -5.106 -15.978 4.370 1.00 2.45 H new ATOM 802 N ALA A 52 -2.176 -6.557 3.185 1.00 0.17 N ATOM 803 CA ALA A 52 -1.504 -5.509 2.367 1.00 0.17 C ATOM 804 C ALA A 52 -0.728 -4.564 3.287 1.00 0.17 C ATOM 805 O ALA A 52 0.381 -4.166 2.992 1.00 0.19 O ATOM 806 CB ALA A 52 -2.555 -4.716 1.590 1.00 0.17 C ATOM 0 H ALA A 52 -3.190 -6.603 3.084 1.00 0.17 H new ATOM 0 HA ALA A 52 -0.815 -5.981 1.667 1.00 0.17 H new ATOM 0 HB1 ALA A 52 -2.063 -3.949 0.992 1.00 0.17 H new ATOM 0 HB2 ALA A 52 -3.107 -5.389 0.934 1.00 0.17 H new ATOM 0 HB3 ALA A 52 -3.245 -4.243 2.289 1.00 0.17 H new ATOM 812 N ALA A 53 -1.304 -4.201 4.400 1.00 0.19 N ATOM 813 CA ALA A 53 -0.599 -3.281 5.338 1.00 0.19 C ATOM 814 C ALA A 53 0.644 -3.976 5.895 1.00 0.19 C ATOM 815 O ALA A 53 1.709 -3.395 5.972 1.00 0.18 O ATOM 816 CB ALA A 53 -1.536 -2.910 6.489 1.00 0.22 C ATOM 0 H ALA A 53 -2.231 -4.501 4.701 1.00 0.19 H new ATOM 0 HA ALA A 53 -0.302 -2.377 4.806 1.00 0.19 H new ATOM 0 HB1 ALA A 53 -1.021 -2.237 7.175 1.00 0.22 H new ATOM 0 HB2 ALA A 53 -2.422 -2.415 6.092 1.00 0.22 H new ATOM 0 HB3 ALA A 53 -1.834 -3.813 7.022 1.00 0.22 H new ATOM 822 N THR A 54 0.520 -5.214 6.286 1.00 0.23 N ATOM 823 CA THR A 54 1.696 -5.943 6.839 1.00 0.27 C ATOM 824 C THR A 54 2.886 -5.777 5.892 1.00 0.26 C ATOM 825 O THR A 54 3.991 -5.492 6.311 1.00 0.28 O ATOM 826 CB THR A 54 1.357 -7.429 6.976 1.00 0.32 C ATOM 827 OG1 THR A 54 0.136 -7.570 7.688 1.00 0.34 O ATOM 828 CG2 THR A 54 2.478 -8.141 7.737 1.00 0.37 C ATOM 0 H THR A 54 -0.345 -5.753 6.247 1.00 0.23 H new ATOM 0 HA THR A 54 1.949 -5.537 7.818 1.00 0.27 H new ATOM 0 HB THR A 54 1.254 -7.872 5.985 1.00 0.32 H new ATOM 0 HG1 THR A 54 -0.084 -8.521 7.775 1.00 0.34 H new ATOM 0 HG21 THR A 54 2.236 -9.199 7.835 1.00 0.37 H new ATOM 0 HG22 THR A 54 3.415 -8.032 7.191 1.00 0.37 H new ATOM 0 HG23 THR A 54 2.582 -7.700 8.728 1.00 0.37 H new ATOM 836 N VAL A 55 2.670 -5.951 4.617 1.00 0.23 N ATOM 837 CA VAL A 55 3.789 -5.801 3.644 1.00 0.25 C ATOM 838 C VAL A 55 4.328 -4.370 3.704 1.00 0.23 C ATOM 839 O VAL A 55 5.459 -4.137 4.082 1.00 0.24 O ATOM 840 CB VAL A 55 3.278 -6.095 2.233 1.00 0.26 C ATOM 841 CG1 VAL A 55 4.442 -6.019 1.242 1.00 0.24 C ATOM 842 CG2 VAL A 55 2.668 -7.497 2.194 1.00 0.25 C ATOM 0 H VAL A 55 1.767 -6.190 4.207 1.00 0.23 H new ATOM 0 HA VAL A 55 4.587 -6.500 3.895 1.00 0.25 H new ATOM 0 HB VAL A 55 2.520 -5.360 1.961 1.00 0.26 H new ATOM 0 HG11 VAL A 55 4.078 -6.229 0.236 1.00 0.24 H new ATOM 0 HG12 VAL A 55 4.878 -5.021 1.269 1.00 0.24 H new ATOM 0 HG13 VAL A 55 5.200 -6.754 1.514 1.00 0.24 H new ATOM 0 HG21 VAL A 55 2.303 -7.707 1.189 1.00 0.25 H new ATOM 0 HG22 VAL A 55 3.426 -8.231 2.466 1.00 0.25 H new ATOM 0 HG23 VAL A 55 1.839 -7.553 2.900 1.00 0.25 H new ATOM 852 N LEU A 56 3.524 -3.410 3.336 1.00 0.22 N ATOM 853 CA LEU A 56 3.989 -1.995 3.372 1.00 0.22 C ATOM 854 C LEU A 56 4.666 -1.719 4.716 1.00 0.20 C ATOM 855 O LEU A 56 5.551 -0.896 4.819 1.00 0.23 O ATOM 856 CB LEU A 56 2.791 -1.057 3.204 1.00 0.20 C ATOM 857 CG LEU A 56 2.020 -1.433 1.936 1.00 0.12 C ATOM 858 CD1 LEU A 56 0.819 -0.499 1.775 1.00 0.19 C ATOM 859 CD2 LEU A 56 2.938 -1.294 0.719 1.00 0.11 C ATOM 0 H LEU A 56 2.566 -3.545 3.012 1.00 0.22 H new ATOM 0 HA LEU A 56 4.698 -1.825 2.562 1.00 0.22 H new ATOM 0 HB2 LEU A 56 2.137 -1.126 4.073 1.00 0.20 H new ATOM 0 HB3 LEU A 56 3.131 -0.023 3.142 1.00 0.20 H new ATOM 0 HG LEU A 56 1.674 -2.464 2.014 1.00 0.12 H new ATOM 0 HD11 LEU A 56 0.269 -0.766 0.872 1.00 0.19 H new ATOM 0 HD12 LEU A 56 0.164 -0.596 2.641 1.00 0.19 H new ATOM 0 HD13 LEU A 56 1.167 0.531 1.697 1.00 0.19 H new ATOM 0 HD21 LEU A 56 2.389 -1.562 -0.184 1.00 0.11 H new ATOM 0 HD22 LEU A 56 3.285 -0.264 0.641 1.00 0.11 H new ATOM 0 HD23 LEU A 56 3.795 -1.958 0.832 1.00 0.11 H new ATOM 871 N ARG A 57 4.260 -2.406 5.748 1.00 0.16 N ATOM 872 CA ARG A 57 4.883 -2.183 7.081 1.00 0.14 C ATOM 873 C ARG A 57 6.357 -2.590 7.027 1.00 0.17 C ATOM 874 O ARG A 57 7.243 -1.775 7.186 1.00 0.19 O ATOM 875 CB ARG A 57 4.158 -3.027 8.132 1.00 0.12 C ATOM 876 CG ARG A 57 3.540 -2.108 9.187 1.00 0.67 C ATOM 877 CD ARG A 57 2.705 -2.940 10.162 1.00 0.92 C ATOM 878 NE ARG A 57 2.960 -2.478 11.555 1.00 1.10 N ATOM 879 CZ ARG A 57 2.152 -2.828 12.517 1.00 1.46 C ATOM 880 NH1 ARG A 57 1.120 -3.584 12.260 1.00 1.64 N ATOM 881 NH2 ARG A 57 2.376 -2.423 13.737 1.00 1.94 N ATOM 0 H ARG A 57 3.524 -3.112 5.725 1.00 0.16 H new ATOM 0 HA ARG A 57 4.806 -1.129 7.347 1.00 0.14 H new ATOM 0 HB2 ARG A 57 3.382 -3.628 7.659 1.00 0.12 H new ATOM 0 HB3 ARG A 57 4.856 -3.720 8.602 1.00 0.12 H new ATOM 0 HG2 ARG A 57 4.324 -1.576 9.725 1.00 0.67 H new ATOM 0 HG3 ARG A 57 2.915 -1.355 8.707 1.00 0.67 H new ATOM 0 HD2 ARG A 57 1.646 -2.844 9.924 1.00 0.92 H new ATOM 0 HD3 ARG A 57 2.959 -3.996 10.066 1.00 0.92 H new ATOM 0 HE ARG A 57 3.767 -1.888 11.757 1.00 1.10 H new ATOM 0 HH11 ARG A 57 0.945 -3.901 11.307 1.00 1.64 H new ATOM 0 HH12 ARG A 57 0.488 -3.858 13.013 1.00 1.64 H new ATOM 0 HH21 ARG A 57 3.183 -1.833 13.938 1.00 1.94 H new ATOM 0 HH22 ARG A 57 1.744 -2.697 14.489 1.00 1.94 H new ATOM 895 N GLN A 58 6.626 -3.848 6.805 1.00 0.19 N ATOM 896 CA GLN A 58 8.041 -4.309 6.742 1.00 0.22 C ATOM 897 C GLN A 58 8.746 -3.656 5.551 1.00 0.27 C ATOM 898 O GLN A 58 9.926 -3.852 5.333 1.00 0.31 O ATOM 899 CB GLN A 58 8.073 -5.831 6.578 1.00 0.26 C ATOM 900 CG GLN A 58 7.214 -6.233 5.378 1.00 0.21 C ATOM 901 CD GLN A 58 7.281 -7.749 5.187 1.00 0.24 C ATOM 902 OE1 GLN A 58 8.191 -8.254 4.560 1.00 0.86 O ATOM 903 NE2 GLN A 58 6.349 -8.501 5.704 1.00 1.59 N ATOM 0 H GLN A 58 5.926 -4.576 6.665 1.00 0.19 H new ATOM 0 HA GLN A 58 8.552 -4.027 7.663 1.00 0.22 H new ATOM 0 HB2 GLN A 58 9.099 -6.170 6.434 1.00 0.26 H new ATOM 0 HB3 GLN A 58 7.701 -6.313 7.482 1.00 0.26 H new ATOM 0 HG2 GLN A 58 6.182 -5.921 5.536 1.00 0.21 H new ATOM 0 HG3 GLN A 58 7.566 -5.727 4.479 1.00 0.21 H new ATOM 0 HE21 GLN A 58 5.585 -8.077 6.230 1.00 1.59 H new ATOM 0 HE22 GLN A 58 6.384 -9.513 5.582 1.00 1.59 H new ATOM 912 N PHE A 59 8.036 -2.883 4.775 1.00 0.28 N ATOM 913 CA PHE A 59 8.673 -2.226 3.598 1.00 0.33 C ATOM 914 C PHE A 59 9.369 -0.934 4.035 1.00 0.34 C ATOM 915 O PHE A 59 10.579 -0.831 4.011 1.00 0.36 O ATOM 916 CB PHE A 59 7.603 -1.897 2.554 1.00 0.36 C ATOM 917 CG PHE A 59 8.266 -1.389 1.296 1.00 0.42 C ATOM 918 CD1 PHE A 59 8.720 -2.294 0.329 1.00 0.45 C ATOM 919 CD2 PHE A 59 8.429 -0.013 1.097 1.00 0.47 C ATOM 920 CE1 PHE A 59 9.334 -1.822 -0.837 1.00 0.51 C ATOM 921 CE2 PHE A 59 9.043 0.459 -0.069 1.00 0.53 C ATOM 922 CZ PHE A 59 9.496 -0.446 -1.036 1.00 0.55 C ATOM 0 H PHE A 59 7.045 -2.678 4.904 1.00 0.28 H new ATOM 0 HA PHE A 59 9.410 -2.904 3.167 1.00 0.33 H new ATOM 0 HB2 PHE A 59 7.011 -2.785 2.333 1.00 0.36 H new ATOM 0 HB3 PHE A 59 6.917 -1.146 2.945 1.00 0.36 H new ATOM 0 HD1 PHE A 59 8.597 -3.356 0.483 1.00 0.45 H new ATOM 0 HD2 PHE A 59 8.081 0.685 1.844 1.00 0.47 H new ATOM 0 HE1 PHE A 59 9.683 -2.520 -1.584 1.00 0.51 H new ATOM 0 HE2 PHE A 59 9.167 1.521 -0.222 1.00 0.53 H new ATOM 0 HZ PHE A 59 9.970 -0.083 -1.936 1.00 0.55 H new ATOM 932 N TYR A 60 8.614 0.058 4.425 1.00 0.36 N ATOM 933 CA TYR A 60 9.237 1.346 4.849 1.00 0.39 C ATOM 934 C TYR A 60 9.759 1.227 6.283 1.00 0.39 C ATOM 935 O TYR A 60 10.326 2.157 6.820 1.00 0.46 O ATOM 936 CB TYR A 60 8.197 2.467 4.776 1.00 0.37 C ATOM 937 CG TYR A 60 7.093 2.208 5.774 1.00 0.30 C ATOM 938 CD1 TYR A 60 7.277 2.532 7.125 1.00 0.30 C ATOM 939 CD2 TYR A 60 5.884 1.646 5.349 1.00 0.25 C ATOM 940 CE1 TYR A 60 6.253 2.292 8.047 1.00 0.25 C ATOM 941 CE2 TYR A 60 4.860 1.407 6.271 1.00 0.18 C ATOM 942 CZ TYR A 60 5.044 1.728 7.621 1.00 0.19 C ATOM 943 OH TYR A 60 4.033 1.492 8.532 1.00 0.16 O ATOM 0 H TYR A 60 7.595 0.033 4.468 1.00 0.36 H new ATOM 0 HA TYR A 60 10.069 1.576 4.183 1.00 0.39 H new ATOM 0 HB2 TYR A 60 8.669 3.427 4.984 1.00 0.37 H new ATOM 0 HB3 TYR A 60 7.783 2.526 3.769 1.00 0.37 H new ATOM 0 HD1 TYR A 60 8.209 2.967 7.454 1.00 0.30 H new ATOM 0 HD2 TYR A 60 5.742 1.397 4.308 1.00 0.25 H new ATOM 0 HE1 TYR A 60 6.395 2.542 9.088 1.00 0.25 H new ATOM 0 HE2 TYR A 60 3.927 0.975 5.941 1.00 0.18 H new ATOM 0 HH TYR A 60 4.084 2.151 9.256 1.00 0.16 H new ATOM 953 N SER A 61 9.575 0.098 6.909 1.00 0.32 N ATOM 954 CA SER A 61 10.066 -0.063 8.308 1.00 0.32 C ATOM 955 C SER A 61 11.479 -0.651 8.294 1.00 0.37 C ATOM 956 O SER A 61 12.342 -0.234 9.042 1.00 0.41 O ATOM 957 CB SER A 61 9.132 -1.001 9.073 1.00 0.25 C ATOM 958 OG SER A 61 7.817 -0.461 9.069 1.00 0.20 O ATOM 0 H SER A 61 9.108 -0.718 6.515 1.00 0.32 H new ATOM 0 HA SER A 61 10.085 0.911 8.797 1.00 0.32 H new ATOM 0 HB2 SER A 61 9.133 -1.989 8.613 1.00 0.25 H new ATOM 0 HB3 SER A 61 9.483 -1.126 10.097 1.00 0.25 H new ATOM 0 HG SER A 61 7.231 -1.030 8.528 1.00 0.20 H new ATOM 964 N HIS A 62 11.722 -1.619 7.453 1.00 0.37 N ATOM 965 CA HIS A 62 13.079 -2.234 7.399 1.00 0.42 C ATOM 966 C HIS A 62 13.947 -1.489 6.381 1.00 0.48 C ATOM 967 O HIS A 62 14.983 -0.948 6.713 1.00 0.89 O ATOM 968 CB HIS A 62 12.956 -3.702 6.983 1.00 0.41 C ATOM 969 CG HIS A 62 12.597 -4.535 8.183 1.00 0.46 C ATOM 970 ND1 HIS A 62 11.287 -4.869 8.486 1.00 0.89 N ATOM 971 CD2 HIS A 62 13.368 -5.110 9.163 1.00 1.24 C ATOM 972 CE1 HIS A 62 11.308 -5.613 9.607 1.00 0.68 C ATOM 973 NE2 HIS A 62 12.551 -5.790 10.062 1.00 0.86 N ATOM 0 H HIS A 62 11.041 -2.010 6.802 1.00 0.37 H new ATOM 0 HA HIS A 62 13.542 -2.168 8.383 1.00 0.42 H new ATOM 0 HB2 HIS A 62 12.194 -3.810 6.211 1.00 0.41 H new ATOM 0 HB3 HIS A 62 13.896 -4.049 6.554 1.00 0.41 H new ATOM 0 HD2 HIS A 62 14.444 -5.045 9.227 1.00 1.24 H new ATOM 0 HE1 HIS A 62 10.426 -6.018 10.081 1.00 0.68 H new ATOM 0 HE2 HIS A 62 12.840 -6.311 10.890 1.00 0.86 H new ATOM 981 N HIS A 63 13.536 -1.464 5.143 1.00 0.37 N ATOM 982 CA HIS A 63 14.342 -0.763 4.103 1.00 0.41 C ATOM 983 C HIS A 63 14.700 0.646 4.580 1.00 0.34 C ATOM 984 O HIS A 63 15.848 1.044 4.554 1.00 0.39 O ATOM 985 CB HIS A 63 13.534 -0.667 2.809 1.00 0.48 C ATOM 986 CG HIS A 63 13.087 -2.041 2.391 1.00 0.49 C ATOM 987 ND1 HIS A 63 13.933 -3.138 2.436 1.00 0.82 N ATOM 988 CD2 HIS A 63 11.889 -2.511 1.916 1.00 0.31 C ATOM 989 CE1 HIS A 63 13.238 -4.204 1.998 1.00 0.88 C ATOM 990 NE2 HIS A 63 11.985 -3.877 1.668 1.00 0.57 N ATOM 0 H HIS A 63 12.677 -1.899 4.806 1.00 0.37 H new ATOM 0 HA HIS A 63 15.258 -1.326 3.924 1.00 0.41 H new ATOM 0 HB2 HIS A 63 12.669 -0.021 2.956 1.00 0.48 H new ATOM 0 HB3 HIS A 63 14.139 -0.215 2.023 1.00 0.48 H new ATOM 0 HD2 HIS A 63 11.005 -1.911 1.758 1.00 0.31 H new ATOM 0 HE1 HIS A 63 13.644 -5.202 1.922 1.00 0.88 H new ATOM 0 HE2 HIS A 63 11.256 -4.495 1.311 1.00 0.57 H new ATOM 998 N GLU A 64 13.728 1.406 5.007 1.00 0.23 N ATOM 999 CA GLU A 64 14.016 2.792 5.479 1.00 0.16 C ATOM 1000 C GLU A 64 15.233 2.772 6.406 1.00 0.13 C ATOM 1001 O GLU A 64 15.924 3.759 6.561 1.00 0.16 O ATOM 1002 CB GLU A 64 12.805 3.336 6.240 1.00 0.15 C ATOM 1003 CG GLU A 64 13.101 4.758 6.722 1.00 0.27 C ATOM 1004 CD GLU A 64 11.833 5.371 7.319 1.00 1.15 C ATOM 1005 OE1 GLU A 64 10.905 4.624 7.581 1.00 1.95 O ATOM 1006 OE2 GLU A 64 11.811 6.576 7.503 1.00 1.45 O ATOM 0 H GLU A 64 12.748 1.128 5.050 1.00 0.23 H new ATOM 0 HA GLU A 64 14.222 3.432 4.621 1.00 0.16 H new ATOM 0 HB2 GLU A 64 11.926 3.335 5.595 1.00 0.15 H new ATOM 0 HB3 GLU A 64 12.577 2.693 7.090 1.00 0.15 H new ATOM 0 HG2 GLU A 64 13.896 4.742 7.468 1.00 0.27 H new ATOM 0 HG3 GLU A 64 13.456 5.368 5.891 1.00 0.27 H new ATOM 1013 N LYS A 65 15.501 1.652 7.022 1.00 0.16 N ATOM 1014 CA LYS A 65 16.675 1.563 7.936 1.00 0.22 C ATOM 1015 C LYS A 65 17.872 0.995 7.172 1.00 0.35 C ATOM 1016 O LYS A 65 19.011 1.214 7.532 1.00 0.47 O ATOM 1017 CB LYS A 65 16.337 0.641 9.110 1.00 0.31 C ATOM 1018 CG LYS A 65 15.107 1.178 9.845 1.00 0.52 C ATOM 1019 CD LYS A 65 14.806 0.289 11.054 1.00 0.68 C ATOM 1020 CE LYS A 65 13.844 1.016 11.995 1.00 0.80 C ATOM 1021 NZ LYS A 65 12.730 1.611 11.205 1.00 1.92 N ATOM 0 H LYS A 65 14.957 0.794 6.931 1.00 0.16 H new ATOM 0 HA LYS A 65 16.920 2.556 8.312 1.00 0.22 H new ATOM 0 HB2 LYS A 65 16.145 -0.369 8.749 1.00 0.31 H new ATOM 0 HB3 LYS A 65 17.184 0.580 9.793 1.00 0.31 H new ATOM 0 HG2 LYS A 65 15.283 2.204 10.169 1.00 0.52 H new ATOM 0 HG3 LYS A 65 14.249 1.199 9.173 1.00 0.52 H new ATOM 0 HD2 LYS A 65 14.368 -0.653 10.726 1.00 0.68 H new ATOM 0 HD3 LYS A 65 15.730 0.045 11.579 1.00 0.68 H new ATOM 0 HE2 LYS A 65 13.448 0.321 12.735 1.00 0.80 H new ATOM 0 HE3 LYS A 65 14.374 1.796 12.542 1.00 0.80 H new ATOM 0 HZ1 LYS A 65 11.894 1.723 11.814 1.00 1.92 H new ATOM 0 HZ2 LYS A 65 13.021 2.541 10.841 1.00 1.92 H new ATOM 0 HZ3 LYS A 65 12.497 0.985 10.408 1.00 1.92 H new ATOM 1035 N ASP A 66 17.623 0.263 6.119 1.00 0.34 N ATOM 1036 CA ASP A 66 18.750 -0.320 5.337 1.00 0.48 C ATOM 1037 C ASP A 66 19.206 0.688 4.282 1.00 0.42 C ATOM 1038 O ASP A 66 18.423 1.474 3.785 1.00 0.42 O ATOM 1039 CB ASP A 66 18.280 -1.604 4.640 1.00 0.69 C ATOM 1040 CG ASP A 66 19.478 -2.530 4.419 1.00 0.57 C ATOM 1041 OD1 ASP A 66 20.597 -2.051 4.507 1.00 1.45 O ATOM 1042 OD2 ASP A 66 19.256 -3.703 4.168 1.00 0.91 O ATOM 0 H ASP A 66 16.691 0.044 5.768 1.00 0.34 H new ATOM 0 HA ASP A 66 19.577 -0.552 6.008 1.00 0.48 H new ATOM 0 HB2 ASP A 66 17.526 -2.105 5.247 1.00 0.69 H new ATOM 0 HB3 ASP A 66 17.812 -1.362 3.686 1.00 0.69 H new ATOM 1047 N THR A 67 20.462 0.669 3.926 1.00 0.44 N ATOM 1048 CA THR A 67 20.953 1.620 2.889 1.00 0.49 C ATOM 1049 C THR A 67 20.504 1.114 1.519 1.00 0.65 C ATOM 1050 O THR A 67 21.244 1.134 0.557 1.00 0.85 O ATOM 1051 CB THR A 67 22.482 1.693 2.938 1.00 0.70 C ATOM 1052 OG1 THR A 67 22.947 2.534 1.890 1.00 1.32 O ATOM 1053 CG2 THR A 67 23.071 0.291 2.768 1.00 2.68 C ATOM 0 H THR A 67 21.167 0.038 4.307 1.00 0.44 H new ATOM 0 HA THR A 67 20.548 2.615 3.071 1.00 0.49 H new ATOM 0 HB THR A 67 22.795 2.100 3.900 1.00 0.70 H new ATOM 0 HG1 THR A 67 22.634 2.187 1.029 1.00 1.32 H new ATOM 0 HG21 THR A 67 24.159 0.347 2.803 1.00 2.68 H new ATOM 0 HG22 THR A 67 22.714 -0.353 3.572 1.00 2.68 H new ATOM 0 HG23 THR A 67 22.760 -0.120 1.808 1.00 2.68 H new ATOM 1061 N ARG A 68 19.293 0.639 1.442 1.00 0.74 N ATOM 1062 CA ARG A 68 18.767 0.100 0.158 1.00 1.06 C ATOM 1063 C ARG A 68 18.297 1.246 -0.742 1.00 0.80 C ATOM 1064 O ARG A 68 18.876 1.512 -1.776 1.00 0.89 O ATOM 1065 CB ARG A 68 17.584 -0.823 0.465 1.00 1.40 C ATOM 1066 CG ARG A 68 18.027 -2.292 0.444 1.00 1.55 C ATOM 1067 CD ARG A 68 19.298 -2.484 1.278 1.00 2.07 C ATOM 1068 NE ARG A 68 20.484 -2.540 0.375 1.00 1.42 N ATOM 1069 CZ ARG A 68 21.684 -2.405 0.867 1.00 3.01 C ATOM 1070 NH1 ARG A 68 21.848 -2.225 2.148 1.00 4.81 N ATOM 1071 NH2 ARG A 68 22.722 -2.452 0.077 1.00 3.03 N ATOM 0 H ARG A 68 18.638 0.601 2.223 1.00 0.74 H new ATOM 0 HA ARG A 68 19.554 -0.451 -0.357 1.00 1.06 H new ATOM 0 HB2 ARG A 68 17.167 -0.577 1.442 1.00 1.40 H new ATOM 0 HB3 ARG A 68 16.793 -0.665 -0.268 1.00 1.40 H new ATOM 0 HG2 ARG A 68 17.230 -2.924 0.836 1.00 1.55 H new ATOM 0 HG3 ARG A 68 18.208 -2.608 -0.583 1.00 1.55 H new ATOM 0 HD2 ARG A 68 19.407 -1.664 1.988 1.00 2.07 H new ATOM 0 HD3 ARG A 68 19.228 -3.403 1.860 1.00 2.07 H new ATOM 0 HE ARG A 68 20.356 -2.684 -0.627 1.00 1.42 H new ATOM 0 HH11 ARG A 68 21.037 -2.190 2.766 1.00 4.81 H new ATOM 0 HH12 ARG A 68 22.787 -2.120 2.532 1.00 4.81 H new ATOM 0 HH21 ARG A 68 22.594 -2.594 -0.925 1.00 3.03 H new ATOM 0 HH22 ARG A 68 23.661 -2.346 0.462 1.00 3.03 H new ATOM 1085 N CYS A 69 17.243 1.918 -0.363 1.00 0.55 N ATOM 1086 CA CYS A 69 16.727 3.034 -1.207 1.00 0.31 C ATOM 1087 C CYS A 69 17.326 4.365 -0.744 1.00 0.32 C ATOM 1088 O CYS A 69 16.732 5.411 -0.919 1.00 0.41 O ATOM 1089 CB CYS A 69 15.204 3.091 -1.089 1.00 0.19 C ATOM 1090 SG CYS A 69 14.527 1.424 -1.280 1.00 0.40 S ATOM 0 H CYS A 69 16.718 1.743 0.494 1.00 0.55 H new ATOM 0 HA CYS A 69 17.011 2.860 -2.245 1.00 0.31 H new ATOM 0 HB2 CYS A 69 14.918 3.504 -0.122 1.00 0.19 H new ATOM 0 HB3 CYS A 69 14.793 3.752 -1.852 1.00 0.19 H new ATOM 1095 N LEU A 70 18.494 4.339 -0.162 1.00 0.36 N ATOM 1096 CA LEU A 70 19.124 5.609 0.303 1.00 0.49 C ATOM 1097 C LEU A 70 20.084 6.120 -0.774 1.00 0.56 C ATOM 1098 O LEU A 70 19.987 7.245 -1.221 1.00 0.56 O ATOM 1099 CB LEU A 70 19.902 5.354 1.598 1.00 0.58 C ATOM 1100 CG LEU A 70 18.956 5.434 2.804 1.00 0.48 C ATOM 1101 CD1 LEU A 70 19.691 4.965 4.060 1.00 0.55 C ATOM 1102 CD2 LEU A 70 18.479 6.879 3.012 1.00 0.79 C ATOM 0 H LEU A 70 19.039 3.495 0.012 1.00 0.36 H new ATOM 0 HA LEU A 70 18.349 6.353 0.488 1.00 0.49 H new ATOM 0 HB2 LEU A 70 20.374 4.372 1.561 1.00 0.58 H new ATOM 0 HB3 LEU A 70 20.701 6.088 1.703 1.00 0.58 H new ATOM 0 HG LEU A 70 18.093 4.795 2.616 1.00 0.48 H new ATOM 0 HD11 LEU A 70 19.020 5.022 4.917 1.00 0.55 H new ATOM 0 HD12 LEU A 70 20.021 3.935 3.925 1.00 0.55 H new ATOM 0 HD13 LEU A 70 20.557 5.604 4.235 1.00 0.55 H new ATOM 0 HD21 LEU A 70 17.809 6.921 3.871 1.00 0.79 H new ATOM 0 HD22 LEU A 70 19.339 7.524 3.191 1.00 0.79 H new ATOM 0 HD23 LEU A 70 17.950 7.219 2.122 1.00 0.79 H new ATOM 1114 N GLY A 71 21.010 5.301 -1.193 1.00 0.64 N ATOM 1115 CA GLY A 71 21.975 5.741 -2.240 1.00 0.74 C ATOM 1116 C GLY A 71 23.015 6.675 -1.620 1.00 0.73 C ATOM 1117 O GLY A 71 23.503 6.441 -0.533 1.00 0.88 O ATOM 0 H GLY A 71 21.140 4.347 -0.856 1.00 0.64 H new ATOM 0 HA2 GLY A 71 22.467 4.875 -2.682 1.00 0.74 H new ATOM 0 HA3 GLY A 71 21.446 6.252 -3.044 1.00 0.74 H new ATOM 1121 N ALA A 72 23.359 7.732 -2.304 1.00 0.57 N ATOM 1122 CA ALA A 72 24.368 8.680 -1.755 1.00 0.56 C ATOM 1123 C ALA A 72 24.033 10.102 -2.210 1.00 0.53 C ATOM 1124 O ALA A 72 24.234 11.058 -1.489 1.00 0.46 O ATOM 1125 CB ALA A 72 25.759 8.296 -2.264 1.00 0.58 C ATOM 0 H ALA A 72 22.984 7.980 -3.220 1.00 0.57 H new ATOM 0 HA ALA A 72 24.354 8.634 -0.666 1.00 0.56 H new ATOM 0 HB1 ALA A 72 26.498 8.990 -1.862 1.00 0.58 H new ATOM 0 HB2 ALA A 72 25.998 7.283 -1.940 1.00 0.58 H new ATOM 0 HB3 ALA A 72 25.773 8.341 -3.353 1.00 0.58 H new ATOM 1131 N THR A 73 23.524 10.248 -3.402 1.00 0.61 N ATOM 1132 CA THR A 73 23.176 11.608 -3.903 1.00 0.59 C ATOM 1133 C THR A 73 22.329 12.335 -2.856 1.00 0.56 C ATOM 1134 O THR A 73 21.738 11.723 -1.988 1.00 0.58 O ATOM 1135 CB THR A 73 22.382 11.485 -5.206 1.00 0.59 C ATOM 1136 OG1 THR A 73 20.993 11.458 -4.911 1.00 1.12 O ATOM 1137 CG2 THR A 73 22.778 10.196 -5.927 1.00 2.00 C ATOM 0 H THR A 73 23.334 9.485 -4.051 1.00 0.61 H new ATOM 0 HA THR A 73 24.090 12.172 -4.087 1.00 0.59 H new ATOM 0 HB THR A 73 22.601 12.339 -5.847 1.00 0.59 H new ATOM 0 HG1 THR A 73 20.490 11.238 -5.723 1.00 1.12 H new ATOM 0 HG21 THR A 73 22.212 10.109 -6.855 1.00 2.00 H new ATOM 0 HG22 THR A 73 23.844 10.218 -6.153 1.00 2.00 H new ATOM 0 HG23 THR A 73 22.560 9.340 -5.288 1.00 2.00 H new ATOM 1145 N ALA A 74 22.265 13.636 -2.930 1.00 0.54 N ATOM 1146 CA ALA A 74 21.456 14.400 -1.939 1.00 0.55 C ATOM 1147 C ALA A 74 20.025 14.552 -2.459 1.00 0.44 C ATOM 1148 O ALA A 74 19.076 14.554 -1.700 1.00 0.53 O ATOM 1149 CB ALA A 74 22.073 15.784 -1.736 1.00 0.62 C ATOM 0 H ALA A 74 22.738 14.203 -3.634 1.00 0.54 H new ATOM 0 HA ALA A 74 21.444 13.865 -0.990 1.00 0.55 H new ATOM 0 HB1 ALA A 74 21.482 16.343 -1.011 1.00 0.62 H new ATOM 0 HB2 ALA A 74 23.093 15.677 -1.367 1.00 0.62 H new ATOM 0 HB3 ALA A 74 22.085 16.320 -2.685 1.00 0.62 H new ATOM 1155 N GLN A 75 19.861 14.679 -3.747 1.00 0.27 N ATOM 1156 CA GLN A 75 18.491 14.830 -4.314 1.00 0.19 C ATOM 1157 C GLN A 75 17.689 13.552 -4.057 1.00 0.10 C ATOM 1158 O GLN A 75 16.510 13.596 -3.771 1.00 0.15 O ATOM 1159 CB GLN A 75 18.588 15.078 -5.820 1.00 0.14 C ATOM 1160 CG GLN A 75 19.162 13.839 -6.507 1.00 0.18 C ATOM 1161 CD GLN A 75 19.824 14.245 -7.825 1.00 0.36 C ATOM 1162 OE1 GLN A 75 21.015 14.481 -7.872 1.00 0.80 O ATOM 1163 NE2 GLN A 75 19.098 14.336 -8.906 1.00 1.25 N ATOM 0 H GLN A 75 20.617 14.685 -4.432 1.00 0.27 H new ATOM 0 HA GLN A 75 17.991 15.674 -3.838 1.00 0.19 H new ATOM 0 HB2 GLN A 75 17.603 15.307 -6.225 1.00 0.14 H new ATOM 0 HB3 GLN A 75 19.223 15.942 -6.016 1.00 0.14 H new ATOM 0 HG2 GLN A 75 19.890 13.354 -5.857 1.00 0.18 H new ATOM 0 HG3 GLN A 75 18.370 13.114 -6.694 1.00 0.18 H new ATOM 0 HE21 GLN A 75 18.098 14.138 -8.867 1.00 1.25 H new ATOM 0 HE22 GLN A 75 19.531 14.605 -9.790 1.00 1.25 H new ATOM 1172 N GLN A 76 18.320 12.414 -4.159 1.00 0.12 N ATOM 1173 CA GLN A 76 17.593 11.135 -3.922 1.00 0.13 C ATOM 1174 C GLN A 76 17.402 10.928 -2.419 1.00 0.14 C ATOM 1175 O GLN A 76 16.485 10.258 -1.986 1.00 0.11 O ATOM 1176 CB GLN A 76 18.406 9.973 -4.497 1.00 0.32 C ATOM 1177 CG GLN A 76 17.608 8.675 -4.359 1.00 0.43 C ATOM 1178 CD GLN A 76 18.238 7.592 -5.237 1.00 0.61 C ATOM 1179 OE1 GLN A 76 19.291 7.074 -4.921 1.00 1.48 O ATOM 1180 NE2 GLN A 76 17.634 7.224 -6.334 1.00 0.89 N ATOM 0 H GLN A 76 19.307 12.315 -4.396 1.00 0.12 H new ATOM 0 HA GLN A 76 16.619 11.175 -4.410 1.00 0.13 H new ATOM 0 HB2 GLN A 76 18.637 10.161 -5.546 1.00 0.32 H new ATOM 0 HB3 GLN A 76 19.357 9.885 -3.972 1.00 0.32 H new ATOM 0 HG2 GLN A 76 17.596 8.352 -3.318 1.00 0.43 H new ATOM 0 HG3 GLN A 76 16.572 8.840 -4.654 1.00 0.43 H new ATOM 0 HE21 GLN A 76 16.750 7.658 -6.600 1.00 0.89 H new ATOM 0 HE22 GLN A 76 18.046 6.502 -6.925 1.00 0.89 H new ATOM 1189 N PHE A 77 18.260 11.500 -1.617 1.00 0.24 N ATOM 1190 CA PHE A 77 18.126 11.335 -0.142 1.00 0.34 C ATOM 1191 C PHE A 77 16.801 11.944 0.321 1.00 0.34 C ATOM 1192 O PHE A 77 16.044 11.329 1.046 1.00 0.37 O ATOM 1193 CB PHE A 77 19.287 12.045 0.557 1.00 0.47 C ATOM 1194 CG PHE A 77 19.317 11.645 2.013 1.00 0.83 C ATOM 1195 CD1 PHE A 77 19.892 10.426 2.393 1.00 1.10 C ATOM 1196 CD2 PHE A 77 18.771 12.494 2.984 1.00 0.99 C ATOM 1197 CE1 PHE A 77 19.920 10.057 3.743 1.00 1.43 C ATOM 1198 CE2 PHE A 77 18.799 12.124 4.334 1.00 1.34 C ATOM 1199 CZ PHE A 77 19.374 10.905 4.713 1.00 1.53 C ATOM 0 H PHE A 77 19.047 12.074 -1.920 1.00 0.24 H new ATOM 0 HA PHE A 77 18.145 10.274 0.109 1.00 0.34 H new ATOM 0 HB2 PHE A 77 20.230 11.783 0.077 1.00 0.47 H new ATOM 0 HB3 PHE A 77 19.174 13.125 0.468 1.00 0.47 H new ATOM 0 HD1 PHE A 77 20.314 9.771 1.645 1.00 1.10 H new ATOM 0 HD2 PHE A 77 18.328 13.435 2.691 1.00 0.99 H new ATOM 0 HE1 PHE A 77 20.363 9.117 4.036 1.00 1.43 H new ATOM 0 HE2 PHE A 77 18.377 12.778 5.083 1.00 1.34 H new ATOM 0 HZ PHE A 77 19.396 10.619 5.754 1.00 1.53 H new ATOM 1209 N HIS A 78 16.515 13.148 -0.089 1.00 0.34 N ATOM 1210 CA HIS A 78 15.239 13.794 0.329 1.00 0.43 C ATOM 1211 C HIS A 78 14.066 13.105 -0.370 1.00 0.40 C ATOM 1212 O HIS A 78 13.125 12.666 0.262 1.00 0.49 O ATOM 1213 CB HIS A 78 15.265 15.274 -0.059 1.00 0.46 C ATOM 1214 CG HIS A 78 14.330 16.042 0.833 1.00 0.78 C ATOM 1215 ND1 HIS A 78 14.444 17.411 1.021 1.00 1.09 N ATOM 1216 CD2 HIS A 78 13.257 15.648 1.594 1.00 0.86 C ATOM 1217 CE1 HIS A 78 13.467 17.788 1.866 1.00 1.35 C ATOM 1218 NE2 HIS A 78 12.714 16.752 2.245 1.00 1.21 N ATOM 0 H HIS A 78 17.109 13.713 -0.696 1.00 0.34 H new ATOM 0 HA HIS A 78 15.123 13.703 1.409 1.00 0.43 H new ATOM 0 HB2 HIS A 78 16.277 15.667 0.033 1.00 0.46 H new ATOM 0 HB3 HIS A 78 14.970 15.393 -1.102 1.00 0.46 H new ATOM 0 HD2 HIS A 78 12.890 14.635 1.675 1.00 0.86 H new ATOM 0 HE1 HIS A 78 13.311 18.804 2.197 1.00 1.35 H new ATOM 0 HE2 HIS A 78 11.913 16.767 2.876 1.00 1.21 H new ATOM 1226 N ARG A 79 14.113 13.004 -1.670 1.00 0.30 N ATOM 1227 CA ARG A 79 13.001 12.342 -2.407 1.00 0.35 C ATOM 1228 C ARG A 79 12.698 10.989 -1.761 1.00 0.34 C ATOM 1229 O ARG A 79 11.595 10.484 -1.843 1.00 0.41 O ATOM 1230 CB ARG A 79 13.411 12.130 -3.867 1.00 0.33 C ATOM 1231 CG ARG A 79 12.163 11.893 -4.719 1.00 0.59 C ATOM 1232 CD ARG A 79 12.578 11.593 -6.161 1.00 0.48 C ATOM 1233 NE ARG A 79 13.215 12.801 -6.756 1.00 0.75 N ATOM 1234 CZ ARG A 79 13.909 12.698 -7.856 1.00 0.96 C ATOM 1235 NH1 ARG A 79 14.045 11.537 -8.435 1.00 0.66 N ATOM 1236 NH2 ARG A 79 14.466 13.756 -8.378 1.00 1.69 N ATOM 0 H ARG A 79 14.874 13.352 -2.253 1.00 0.30 H new ATOM 0 HA ARG A 79 12.112 12.972 -2.367 1.00 0.35 H new ATOM 0 HB2 ARG A 79 13.954 13.001 -4.233 1.00 0.33 H new ATOM 0 HB3 ARG A 79 14.085 11.277 -3.946 1.00 0.33 H new ATOM 0 HG2 ARG A 79 11.587 11.061 -4.315 1.00 0.59 H new ATOM 0 HG3 ARG A 79 11.518 12.771 -4.690 1.00 0.59 H new ATOM 0 HD2 ARG A 79 13.273 10.754 -6.184 1.00 0.48 H new ATOM 0 HD3 ARG A 79 11.707 11.301 -6.748 1.00 0.48 H new ATOM 0 HE ARG A 79 13.109 13.709 -6.303 1.00 0.75 H new ATOM 0 HH11 ARG A 79 13.609 10.710 -8.028 1.00 0.66 H new ATOM 0 HH12 ARG A 79 14.588 11.456 -9.295 1.00 0.66 H new ATOM 0 HH21 ARG A 79 14.359 14.664 -7.926 1.00 1.69 H new ATOM 0 HH22 ARG A 79 15.008 13.675 -9.238 1.00 1.69 H new ATOM 1250 N HIS A 80 13.667 10.397 -1.118 1.00 0.26 N ATOM 1251 CA HIS A 80 13.433 9.077 -0.467 1.00 0.25 C ATOM 1252 C HIS A 80 12.620 9.278 0.814 1.00 0.30 C ATOM 1253 O HIS A 80 11.601 8.650 1.017 1.00 0.31 O ATOM 1254 CB HIS A 80 14.778 8.432 -0.122 1.00 0.21 C ATOM 1255 CG HIS A 80 14.561 7.310 0.855 1.00 0.28 C ATOM 1256 ND1 HIS A 80 13.999 6.100 0.478 1.00 0.28 N ATOM 1257 CD2 HIS A 80 14.825 7.199 2.198 1.00 0.48 C ATOM 1258 CE1 HIS A 80 13.945 5.320 1.574 1.00 0.32 C ATOM 1259 NE2 HIS A 80 14.435 5.942 2.650 1.00 0.44 N ATOM 0 H HIS A 80 14.611 10.770 -1.015 1.00 0.26 H new ATOM 0 HA HIS A 80 12.883 8.428 -1.149 1.00 0.25 H new ATOM 0 HB2 HIS A 80 15.254 8.054 -1.026 1.00 0.21 H new ATOM 0 HB3 HIS A 80 15.451 9.175 0.305 1.00 0.21 H new ATOM 0 HD2 HIS A 80 15.268 7.970 2.811 1.00 0.48 H new ATOM 0 HE1 HIS A 80 13.553 4.314 1.582 1.00 0.32 H new ATOM 0 HE2 HIS A 80 14.508 5.575 3.599 1.00 0.44 H new ATOM 1267 N LYS A 81 13.065 10.149 1.679 1.00 0.35 N ATOM 1268 CA LYS A 81 12.317 10.388 2.946 1.00 0.41 C ATOM 1269 C LYS A 81 10.863 10.739 2.621 1.00 0.45 C ATOM 1270 O LYS A 81 9.940 10.153 3.151 1.00 0.39 O ATOM 1271 CB LYS A 81 12.963 11.545 3.709 1.00 0.52 C ATOM 1272 CG LYS A 81 14.433 11.221 3.981 1.00 0.50 C ATOM 1273 CD LYS A 81 14.854 11.834 5.318 1.00 0.83 C ATOM 1274 CE LYS A 81 14.449 10.898 6.459 1.00 0.81 C ATOM 1275 NZ LYS A 81 14.089 11.705 7.659 1.00 1.42 N ATOM 0 H LYS A 81 13.913 10.704 1.563 1.00 0.35 H new ATOM 0 HA LYS A 81 12.345 9.488 3.560 1.00 0.41 H new ATOM 0 HB2 LYS A 81 12.884 12.465 3.130 1.00 0.52 H new ATOM 0 HB3 LYS A 81 12.437 11.713 4.649 1.00 0.52 H new ATOM 0 HG2 LYS A 81 14.580 10.141 4.002 1.00 0.50 H new ATOM 0 HG3 LYS A 81 15.057 11.612 3.177 1.00 0.50 H new ATOM 0 HD2 LYS A 81 15.932 11.997 5.332 1.00 0.83 H new ATOM 0 HD3 LYS A 81 14.383 12.808 5.448 1.00 0.83 H new ATOM 0 HE2 LYS A 81 13.603 10.281 6.155 1.00 0.81 H new ATOM 0 HE3 LYS A 81 15.269 10.220 6.696 1.00 0.81 H new ATOM 0 HZ1 LYS A 81 13.814 11.070 8.435 1.00 1.42 H new ATOM 0 HZ2 LYS A 81 14.908 12.275 7.952 1.00 1.42 H new ATOM 0 HZ3 LYS A 81 13.294 12.334 7.428 1.00 1.42 H new ATOM 1289 N GLN A 82 10.653 11.691 1.753 1.00 0.57 N ATOM 1290 CA GLN A 82 9.259 12.076 1.396 1.00 0.66 C ATOM 1291 C GLN A 82 8.450 10.818 1.072 1.00 0.61 C ATOM 1292 O GLN A 82 7.317 10.671 1.484 1.00 0.65 O ATOM 1293 CB GLN A 82 9.280 12.997 0.173 1.00 0.72 C ATOM 1294 CG GLN A 82 7.885 13.583 -0.050 1.00 0.45 C ATOM 1295 CD GLN A 82 7.872 14.389 -1.351 1.00 0.17 C ATOM 1296 OE1 GLN A 82 7.530 15.554 -1.352 1.00 0.83 O ATOM 1297 NE2 GLN A 82 8.234 13.814 -2.464 1.00 1.55 N ATOM 0 H GLN A 82 11.385 12.218 1.277 1.00 0.57 H new ATOM 0 HA GLN A 82 8.800 12.598 2.236 1.00 0.66 H new ATOM 0 HB2 GLN A 82 10.003 13.799 0.321 1.00 0.72 H new ATOM 0 HB3 GLN A 82 9.597 12.440 -0.709 1.00 0.72 H new ATOM 0 HG2 GLN A 82 7.146 12.783 -0.098 1.00 0.45 H new ATOM 0 HG3 GLN A 82 7.609 14.222 0.789 1.00 0.45 H new ATOM 0 HE21 GLN A 82 8.521 12.835 -2.462 1.00 1.55 H new ATOM 0 HE22 GLN A 82 8.230 14.343 -3.336 1.00 1.55 H new ATOM 1306 N LEU A 83 9.026 9.907 0.336 1.00 0.53 N ATOM 1307 CA LEU A 83 8.292 8.659 -0.015 1.00 0.51 C ATOM 1308 C LEU A 83 7.835 7.967 1.272 1.00 0.48 C ATOM 1309 O LEU A 83 6.669 7.680 1.456 1.00 0.46 O ATOM 1310 CB LEU A 83 9.223 7.727 -0.797 1.00 0.46 C ATOM 1311 CG LEU A 83 8.398 6.798 -1.690 1.00 0.50 C ATOM 1312 CD1 LEU A 83 9.336 5.891 -2.489 1.00 0.47 C ATOM 1313 CD2 LEU A 83 7.475 5.936 -0.826 1.00 0.49 C ATOM 0 H LEU A 83 9.973 9.973 -0.037 1.00 0.53 H new ATOM 0 HA LEU A 83 7.423 8.900 -0.628 1.00 0.51 H new ATOM 0 HB2 LEU A 83 9.912 8.313 -1.405 1.00 0.46 H new ATOM 0 HB3 LEU A 83 9.828 7.139 -0.106 1.00 0.46 H new ATOM 0 HG LEU A 83 7.798 7.398 -2.374 1.00 0.50 H new ATOM 0 HD11 LEU A 83 8.748 5.229 -3.125 1.00 0.47 H new ATOM 0 HD12 LEU A 83 9.992 6.502 -3.109 1.00 0.47 H new ATOM 0 HD13 LEU A 83 9.937 5.295 -1.803 1.00 0.47 H new ATOM 0 HD21 LEU A 83 6.889 5.276 -1.466 1.00 0.49 H new ATOM 0 HD22 LEU A 83 8.074 5.338 -0.139 1.00 0.49 H new ATOM 0 HD23 LEU A 83 6.804 6.579 -0.257 1.00 0.49 H new ATOM 1325 N ILE A 84 8.748 7.701 2.167 1.00 0.46 N ATOM 1326 CA ILE A 84 8.370 7.030 3.444 1.00 0.43 C ATOM 1327 C ILE A 84 7.148 7.729 4.045 1.00 0.41 C ATOM 1328 O ILE A 84 6.230 7.093 4.522 1.00 0.35 O ATOM 1329 CB ILE A 84 9.539 7.113 4.429 1.00 0.45 C ATOM 1330 CG1 ILE A 84 10.841 6.737 3.716 1.00 0.47 C ATOM 1331 CG2 ILE A 84 9.301 6.151 5.594 1.00 0.43 C ATOM 1332 CD1 ILE A 84 10.649 5.429 2.945 1.00 0.46 C ATOM 0 H ILE A 84 9.739 7.919 2.069 1.00 0.46 H new ATOM 0 HA ILE A 84 8.132 5.984 3.248 1.00 0.43 H new ATOM 0 HB ILE A 84 9.615 8.131 4.810 1.00 0.45 H new ATOM 0 HG12 ILE A 84 11.135 7.533 3.032 1.00 0.47 H new ATOM 0 HG13 ILE A 84 11.646 6.627 4.443 1.00 0.47 H new ATOM 0 HG21 ILE A 84 10.135 6.213 6.293 1.00 0.43 H new ATOM 0 HG22 ILE A 84 8.378 6.421 6.106 1.00 0.43 H new ATOM 0 HG23 ILE A 84 9.221 5.132 5.214 1.00 0.43 H new ATOM 0 HD11 ILE A 84 11.578 5.165 2.439 1.00 0.46 H new ATOM 0 HD12 ILE A 84 10.375 4.634 3.639 1.00 0.46 H new ATOM 0 HD13 ILE A 84 9.857 5.555 2.207 1.00 0.46 H new ATOM 1344 N ARG A 85 7.131 9.033 4.027 1.00 0.47 N ATOM 1345 CA ARG A 85 5.969 9.770 4.601 1.00 0.46 C ATOM 1346 C ARG A 85 4.677 9.284 3.938 1.00 0.44 C ATOM 1347 O ARG A 85 3.708 8.970 4.600 1.00 0.42 O ATOM 1348 CB ARG A 85 6.140 11.268 4.347 1.00 0.45 C ATOM 1349 CG ARG A 85 5.076 12.044 5.127 1.00 1.18 C ATOM 1350 CD ARG A 85 4.347 13.001 4.182 1.00 2.54 C ATOM 1351 NE ARG A 85 3.304 13.749 4.941 1.00 3.50 N ATOM 1352 CZ ARG A 85 2.765 14.819 4.424 1.00 4.64 C ATOM 1353 NH1 ARG A 85 3.137 15.234 3.245 1.00 5.10 N ATOM 1354 NH2 ARG A 85 1.852 15.474 5.088 1.00 5.48 N ATOM 0 H ARG A 85 7.870 9.620 3.640 1.00 0.47 H new ATOM 0 HA ARG A 85 5.917 9.587 5.674 1.00 0.46 H new ATOM 0 HB2 ARG A 85 7.136 11.588 4.653 1.00 0.45 H new ATOM 0 HB3 ARG A 85 6.051 11.479 3.281 1.00 0.45 H new ATOM 0 HG2 ARG A 85 4.366 11.353 5.580 1.00 1.18 H new ATOM 0 HG3 ARG A 85 5.541 12.602 5.940 1.00 1.18 H new ATOM 0 HD2 ARG A 85 5.056 13.697 3.734 1.00 2.54 H new ATOM 0 HD3 ARG A 85 3.888 12.444 3.365 1.00 2.54 H new ATOM 0 HE ARG A 85 3.012 13.425 5.863 1.00 3.50 H new ATOM 0 HH11 ARG A 85 3.850 14.722 2.726 1.00 5.10 H new ATOM 0 HH12 ARG A 85 2.715 16.071 2.842 1.00 5.10 H new ATOM 0 HH21 ARG A 85 1.561 15.149 6.010 1.00 5.48 H new ATOM 0 HH22 ARG A 85 1.430 16.311 4.685 1.00 5.48 H new ATOM 1368 N PHE A 86 4.655 9.223 2.635 1.00 0.44 N ATOM 1369 CA PHE A 86 3.426 8.761 1.931 1.00 0.43 C ATOM 1370 C PHE A 86 3.028 7.376 2.446 1.00 0.43 C ATOM 1371 O PHE A 86 1.903 7.150 2.843 1.00 0.46 O ATOM 1372 CB PHE A 86 3.698 8.687 0.427 1.00 0.42 C ATOM 1373 CG PHE A 86 3.386 10.022 -0.208 1.00 0.41 C ATOM 1374 CD1 PHE A 86 4.342 11.043 -0.193 1.00 0.79 C ATOM 1375 CD2 PHE A 86 2.141 10.238 -0.809 1.00 0.08 C ATOM 1376 CE1 PHE A 86 4.055 12.281 -0.781 1.00 0.78 C ATOM 1377 CE2 PHE A 86 1.852 11.475 -1.397 1.00 0.07 C ATOM 1378 CZ PHE A 86 2.809 12.497 -1.383 1.00 0.40 C ATOM 0 H PHE A 86 5.435 9.473 2.027 1.00 0.44 H new ATOM 0 HA PHE A 86 2.615 9.464 2.121 1.00 0.43 H new ATOM 0 HB2 PHE A 86 4.740 8.422 0.248 1.00 0.42 H new ATOM 0 HB3 PHE A 86 3.088 7.906 -0.026 1.00 0.42 H new ATOM 0 HD1 PHE A 86 5.302 10.876 0.272 1.00 0.79 H new ATOM 0 HD2 PHE A 86 1.403 9.450 -0.819 1.00 0.08 H new ATOM 0 HE1 PHE A 86 4.794 13.069 -0.770 1.00 0.78 H new ATOM 0 HE2 PHE A 86 0.891 11.641 -1.861 1.00 0.07 H new ATOM 0 HZ PHE A 86 2.586 13.452 -1.836 1.00 0.40 H new ATOM 1388 N LEU A 87 3.942 6.444 2.437 1.00 0.41 N ATOM 1389 CA LEU A 87 3.614 5.074 2.924 1.00 0.41 C ATOM 1390 C LEU A 87 3.125 5.148 4.372 1.00 0.41 C ATOM 1391 O LEU A 87 2.056 4.673 4.702 1.00 0.42 O ATOM 1392 CB LEU A 87 4.862 4.191 2.850 1.00 0.42 C ATOM 1393 CG LEU A 87 5.494 4.320 1.463 1.00 0.69 C ATOM 1394 CD1 LEU A 87 6.707 3.392 1.365 1.00 0.63 C ATOM 1395 CD2 LEU A 87 4.469 3.930 0.397 1.00 0.84 C ATOM 0 H LEU A 87 4.901 6.572 2.114 1.00 0.41 H new ATOM 0 HA LEU A 87 2.830 4.646 2.299 1.00 0.41 H new ATOM 0 HB2 LEU A 87 5.577 4.488 3.617 1.00 0.42 H new ATOM 0 HB3 LEU A 87 4.598 3.152 3.046 1.00 0.42 H new ATOM 0 HG LEU A 87 5.811 5.351 1.304 1.00 0.69 H new ATOM 0 HD11 LEU A 87 7.157 3.484 0.376 1.00 0.63 H new ATOM 0 HD12 LEU A 87 7.439 3.668 2.124 1.00 0.63 H new ATOM 0 HD13 LEU A 87 6.390 2.361 1.525 1.00 0.63 H new ATOM 0 HD21 LEU A 87 4.919 4.022 -0.591 1.00 0.84 H new ATOM 0 HD22 LEU A 87 4.152 2.899 0.557 1.00 0.84 H new ATOM 0 HD23 LEU A 87 3.604 4.590 0.465 1.00 0.84 H new ATOM 1407 N LYS A 88 3.899 5.739 5.241 1.00 0.41 N ATOM 1408 CA LYS A 88 3.475 5.840 6.665 1.00 0.40 C ATOM 1409 C LYS A 88 2.087 6.478 6.740 1.00 0.39 C ATOM 1410 O LYS A 88 1.396 6.370 7.734 1.00 0.39 O ATOM 1411 CB LYS A 88 4.476 6.705 7.435 1.00 0.41 C ATOM 1412 CG LYS A 88 5.005 5.923 8.639 1.00 0.85 C ATOM 1413 CD LYS A 88 5.892 6.836 9.490 1.00 0.90 C ATOM 1414 CE LYS A 88 7.288 6.223 9.610 1.00 0.58 C ATOM 1415 NZ LYS A 88 7.200 4.925 10.336 1.00 1.36 N ATOM 0 H LYS A 88 4.805 6.155 5.026 1.00 0.41 H new ATOM 0 HA LYS A 88 3.441 4.844 7.105 1.00 0.40 H new ATOM 0 HB2 LYS A 88 5.301 6.993 6.783 1.00 0.41 H new ATOM 0 HB3 LYS A 88 3.997 7.626 7.768 1.00 0.41 H new ATOM 0 HG2 LYS A 88 4.174 5.547 9.235 1.00 0.85 H new ATOM 0 HG3 LYS A 88 5.574 5.056 8.302 1.00 0.85 H new ATOM 0 HD2 LYS A 88 5.955 7.825 9.036 1.00 0.90 H new ATOM 0 HD3 LYS A 88 5.454 6.967 10.480 1.00 0.90 H new ATOM 0 HE2 LYS A 88 7.716 6.069 8.619 1.00 0.58 H new ATOM 0 HE3 LYS A 88 7.952 6.905 10.142 1.00 0.58 H new ATOM 0 HZ1 LYS A 88 7.948 4.879 11.057 1.00 1.36 H new ATOM 0 HZ2 LYS A 88 6.270 4.847 10.796 1.00 1.36 H new ATOM 0 HZ3 LYS A 88 7.320 4.142 9.662 1.00 1.36 H new ATOM 1429 N ARG A 89 1.671 7.141 5.695 1.00 0.38 N ATOM 1430 CA ARG A 89 0.328 7.786 5.708 1.00 0.37 C ATOM 1431 C ARG A 89 -0.730 6.773 5.263 1.00 0.33 C ATOM 1432 O ARG A 89 -1.496 6.271 6.062 1.00 0.30 O ATOM 1433 CB ARG A 89 0.326 8.979 4.749 1.00 0.41 C ATOM 1434 CG ARG A 89 -0.889 9.864 5.036 1.00 0.53 C ATOM 1435 CD ARG A 89 -1.116 10.817 3.862 1.00 0.21 C ATOM 1436 NE ARG A 89 0.200 11.278 3.336 1.00 1.79 N ATOM 1437 CZ ARG A 89 0.270 11.852 2.165 1.00 2.52 C ATOM 1438 NH1 ARG A 89 -0.812 12.023 1.457 1.00 2.33 N ATOM 1439 NH2 ARG A 89 1.423 12.256 1.705 1.00 3.98 N ATOM 0 H ARG A 89 2.203 7.263 4.834 1.00 0.38 H new ATOM 0 HA ARG A 89 0.100 8.130 6.717 1.00 0.37 H new ATOM 0 HB2 ARG A 89 1.244 9.555 4.866 1.00 0.41 H new ATOM 0 HB3 ARG A 89 0.299 8.629 3.717 1.00 0.41 H new ATOM 0 HG2 ARG A 89 -1.773 9.246 5.193 1.00 0.53 H new ATOM 0 HG3 ARG A 89 -0.730 10.431 5.953 1.00 0.53 H new ATOM 0 HD2 ARG A 89 -1.679 10.315 3.075 1.00 0.21 H new ATOM 0 HD3 ARG A 89 -1.711 11.672 4.183 1.00 0.21 H new ATOM 0 HE ARG A 89 1.046 11.145 3.890 1.00 1.79 H new ATOM 0 HH11 ARG A 89 -1.713 11.708 1.818 1.00 2.33 H new ATOM 0 HH12 ARG A 89 -0.757 12.471 0.542 1.00 2.33 H new ATOM 0 HH21 ARG A 89 2.268 12.123 2.260 1.00 3.98 H new ATOM 0 HH22 ARG A 89 1.478 12.704 0.791 1.00 3.98 H new ATOM 1453 N LEU A 90 -0.779 6.469 3.995 1.00 0.34 N ATOM 1454 CA LEU A 90 -1.788 5.489 3.502 1.00 0.31 C ATOM 1455 C LEU A 90 -1.699 4.204 4.328 1.00 0.27 C ATOM 1456 O LEU A 90 -2.690 3.553 4.589 1.00 0.42 O ATOM 1457 CB LEU A 90 -1.517 5.171 2.029 1.00 0.34 C ATOM 1458 CG LEU A 90 -0.105 4.601 1.876 1.00 0.38 C ATOM 1459 CD1 LEU A 90 -0.184 3.088 1.664 1.00 0.35 C ATOM 1460 CD2 LEU A 90 0.576 5.248 0.667 1.00 0.45 C ATOM 0 H LEU A 90 -0.164 6.857 3.279 1.00 0.34 H new ATOM 0 HA LEU A 90 -2.786 5.916 3.602 1.00 0.31 H new ATOM 0 HB2 LEU A 90 -2.251 4.454 1.661 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -1.623 6.073 1.427 1.00 0.34 H new ATOM 0 HG LEU A 90 0.471 4.812 2.777 1.00 0.38 H new ATOM 0 HD11 LEU A 90 0.822 2.683 1.555 1.00 0.35 H new ATOM 0 HD12 LEU A 90 -0.671 2.625 2.523 1.00 0.35 H new ATOM 0 HD13 LEU A 90 -0.760 2.876 0.763 1.00 0.35 H new ATOM 0 HD21 LEU A 90 1.582 4.843 0.556 1.00 0.45 H new ATOM 0 HD22 LEU A 90 -0.002 5.036 -0.233 1.00 0.45 H new ATOM 0 HD23 LEU A 90 0.633 6.326 0.815 1.00 0.45 H new ATOM 1472 N ASP A 91 -0.518 3.834 4.741 1.00 0.13 N ATOM 1473 CA ASP A 91 -0.367 2.592 5.550 1.00 0.09 C ATOM 1474 C ASP A 91 -1.413 2.579 6.666 1.00 0.03 C ATOM 1475 O ASP A 91 -1.955 1.548 7.011 1.00 0.08 O ATOM 1476 CB ASP A 91 1.034 2.549 6.165 1.00 0.12 C ATOM 1477 CG ASP A 91 1.081 1.479 7.256 1.00 0.11 C ATOM 1478 OD1 ASP A 91 1.288 0.325 6.918 1.00 0.96 O ATOM 1479 OD2 ASP A 91 0.909 1.830 8.412 1.00 1.15 O ATOM 0 H ASP A 91 0.349 4.338 4.553 1.00 0.13 H new ATOM 0 HA ASP A 91 -0.509 1.723 4.908 1.00 0.09 H new ATOM 0 HB2 ASP A 91 1.774 2.331 5.395 1.00 0.12 H new ATOM 0 HB3 ASP A 91 1.288 3.522 6.585 1.00 0.12 H new ATOM 1484 N ARG A 92 -1.701 3.718 7.234 1.00 0.06 N ATOM 1485 CA ARG A 92 -2.712 3.771 8.327 1.00 0.14 C ATOM 1486 C ARG A 92 -4.112 3.869 7.723 1.00 0.18 C ATOM 1487 O ARG A 92 -5.040 3.225 8.170 1.00 0.40 O ATOM 1488 CB ARG A 92 -2.449 4.995 9.205 1.00 0.19 C ATOM 1489 CG ARG A 92 -1.066 4.870 9.847 1.00 0.14 C ATOM 1490 CD ARG A 92 -1.189 4.975 11.369 1.00 0.66 C ATOM 1491 NE ARG A 92 -2.042 6.154 11.742 1.00 2.02 N ATOM 1492 CZ ARG A 92 -1.761 7.364 11.333 1.00 3.26 C ATOM 1493 NH1 ARG A 92 -0.622 7.621 10.751 1.00 4.05 N ATOM 1494 NH2 ARG A 92 -2.601 8.335 11.563 1.00 4.48 N ATOM 0 H ARG A 92 -1.280 4.614 6.988 1.00 0.06 H new ATOM 0 HA ARG A 92 -2.640 2.867 8.932 1.00 0.14 H new ATOM 0 HB2 ARG A 92 -2.504 5.904 8.607 1.00 0.19 H new ATOM 0 HB3 ARG A 92 -3.215 5.075 9.977 1.00 0.19 H new ATOM 0 HG2 ARG A 92 -0.613 3.917 9.575 1.00 0.14 H new ATOM 0 HG3 ARG A 92 -0.408 5.654 9.471 1.00 0.14 H new ATOM 0 HD2 ARG A 92 -1.626 4.060 11.770 1.00 0.66 H new ATOM 0 HD3 ARG A 92 -0.200 5.078 11.815 1.00 0.66 H new ATOM 0 HE ARG A 92 -2.862 6.007 12.330 1.00 2.02 H new ATOM 0 HH11 ARG A 92 0.059 6.875 10.611 1.00 4.05 H new ATOM 0 HH12 ARG A 92 -0.413 8.568 10.436 1.00 4.05 H new ATOM 0 HH21 ARG A 92 -3.472 8.149 12.060 1.00 4.48 H new ATOM 0 HH22 ARG A 92 -2.387 9.281 11.246 1.00 4.48 H new ATOM 1508 N ASN A 93 -4.270 4.672 6.711 1.00 0.13 N ATOM 1509 CA ASN A 93 -5.609 4.817 6.073 1.00 0.15 C ATOM 1510 C ASN A 93 -6.211 3.431 5.830 1.00 0.17 C ATOM 1511 O ASN A 93 -7.386 3.209 6.043 1.00 0.35 O ATOM 1512 CB ASN A 93 -5.463 5.551 4.738 1.00 0.15 C ATOM 1513 CG ASN A 93 -4.774 6.897 4.969 1.00 0.14 C ATOM 1514 OD1 ASN A 93 -4.629 7.682 4.052 1.00 0.96 O ATOM 1515 ND2 ASN A 93 -4.342 7.200 6.162 1.00 0.94 N ATOM 0 H ASN A 93 -3.529 5.236 6.296 1.00 0.13 H new ATOM 0 HA ASN A 93 -6.264 5.388 6.731 1.00 0.15 H new ATOM 0 HB2 ASN A 93 -4.882 4.948 4.041 1.00 0.15 H new ATOM 0 HB3 ASN A 93 -6.443 5.705 4.286 1.00 0.15 H new ATOM 0 HD21 ASN A 93 -3.882 8.096 6.326 1.00 0.94 H new ATOM 0 HD22 ASN A 93 -4.464 6.541 6.931 1.00 0.94 H new ATOM 1522 N LEU A 94 -5.415 2.497 5.385 1.00 0.11 N ATOM 1523 CA LEU A 94 -5.943 1.127 5.130 1.00 0.10 C ATOM 1524 C LEU A 94 -6.282 0.456 6.463 1.00 0.08 C ATOM 1525 O LEU A 94 -7.410 0.078 6.709 1.00 0.04 O ATOM 1526 CB LEU A 94 -4.885 0.299 4.397 1.00 0.12 C ATOM 1527 CG LEU A 94 -4.434 1.042 3.138 1.00 0.25 C ATOM 1528 CD1 LEU A 94 -3.366 0.220 2.415 1.00 0.10 C ATOM 1529 CD2 LEU A 94 -5.633 1.248 2.207 1.00 0.41 C ATOM 0 H LEU A 94 -4.422 2.624 5.187 1.00 0.11 H new ATOM 0 HA LEU A 94 -6.841 1.193 4.516 1.00 0.10 H new ATOM 0 HB2 LEU A 94 -4.032 0.120 5.051 1.00 0.12 H new ATOM 0 HB3 LEU A 94 -5.292 -0.676 4.130 1.00 0.12 H new ATOM 0 HG LEU A 94 -4.021 2.011 3.419 1.00 0.25 H new ATOM 0 HD11 LEU A 94 -3.045 0.749 1.518 1.00 0.10 H new ATOM 0 HD12 LEU A 94 -2.511 0.073 3.075 1.00 0.10 H new ATOM 0 HD13 LEU A 94 -3.780 -0.749 2.136 1.00 0.10 H new ATOM 0 HD21 LEU A 94 -5.311 1.777 1.310 1.00 0.41 H new ATOM 0 HD22 LEU A 94 -6.047 0.279 1.927 1.00 0.41 H new ATOM 0 HD23 LEU A 94 -6.396 1.834 2.720 1.00 0.41 H new ATOM 1541 N TRP A 95 -5.315 0.306 7.326 1.00 0.13 N ATOM 1542 CA TRP A 95 -5.583 -0.341 8.640 1.00 0.12 C ATOM 1543 C TRP A 95 -6.684 0.430 9.373 1.00 0.11 C ATOM 1544 O TRP A 95 -7.126 0.040 10.436 1.00 0.13 O ATOM 1545 CB TRP A 95 -4.307 -0.332 9.484 1.00 0.21 C ATOM 1546 CG TRP A 95 -4.574 -0.987 10.800 1.00 0.12 C ATOM 1547 CD1 TRP A 95 -4.993 -0.346 11.916 1.00 0.23 C ATOM 1548 CD2 TRP A 95 -4.451 -2.394 11.159 1.00 0.03 C ATOM 1549 NE1 TRP A 95 -5.134 -1.270 12.936 1.00 0.23 N ATOM 1550 CE2 TRP A 95 -4.812 -2.546 12.519 1.00 0.11 C ATOM 1551 CE3 TRP A 95 -4.066 -3.542 10.442 1.00 0.20 C ATOM 1552 CZ2 TRP A 95 -4.791 -3.793 13.146 1.00 0.18 C ATOM 1553 CZ3 TRP A 95 -4.042 -4.798 11.071 1.00 0.29 C ATOM 1554 CH2 TRP A 95 -4.405 -4.922 12.419 1.00 0.26 C ATOM 0 H TRP A 95 -4.351 0.604 7.177 1.00 0.13 H new ATOM 0 HA TRP A 95 -5.904 -1.370 8.479 1.00 0.12 H new ATOM 0 HB2 TRP A 95 -3.508 -0.857 8.960 1.00 0.21 H new ATOM 0 HB3 TRP A 95 -3.968 0.692 9.638 1.00 0.21 H new ATOM 0 HD1 TRP A 95 -5.186 0.714 11.997 1.00 0.23 H new ATOM 0 HE1 TRP A 95 -5.439 -1.037 13.881 1.00 0.23 H new ATOM 0 HE3 TRP A 95 -3.787 -3.457 9.402 1.00 0.20 H new ATOM 0 HZ2 TRP A 95 -5.071 -3.884 14.185 1.00 0.18 H new ATOM 0 HZ3 TRP A 95 -3.742 -5.673 10.513 1.00 0.29 H new ATOM 0 HH2 TRP A 95 -4.386 -5.891 12.896 1.00 0.26 H new ATOM 1565 N GLY A 96 -7.130 1.522 8.814 1.00 0.22 N ATOM 1566 CA GLY A 96 -8.201 2.316 9.479 1.00 0.31 C ATOM 1567 C GLY A 96 -9.562 1.681 9.191 1.00 0.32 C ATOM 1568 O GLY A 96 -10.167 1.070 10.050 1.00 0.37 O ATOM 0 H GLY A 96 -6.799 1.898 7.926 1.00 0.22 H new ATOM 0 HA2 GLY A 96 -8.026 2.354 10.554 1.00 0.31 H new ATOM 0 HA3 GLY A 96 -8.184 3.344 9.117 1.00 0.31 H new ATOM 1572 N LEU A 97 -10.049 1.820 7.988 1.00 0.32 N ATOM 1573 CA LEU A 97 -11.373 1.223 7.647 1.00 0.33 C ATOM 1574 C LEU A 97 -11.321 -0.291 7.856 1.00 0.31 C ATOM 1575 O LEU A 97 -12.299 -0.987 7.664 1.00 0.38 O ATOM 1576 CB LEU A 97 -11.727 1.537 6.186 1.00 0.33 C ATOM 1577 CG LEU A 97 -10.545 1.202 5.257 1.00 0.24 C ATOM 1578 CD1 LEU A 97 -10.342 -0.315 5.157 1.00 0.22 C ATOM 1579 CD2 LEU A 97 -10.834 1.760 3.861 1.00 0.30 C ATOM 0 H LEU A 97 -9.589 2.320 7.227 1.00 0.32 H new ATOM 0 HA LEU A 97 -12.138 1.650 8.296 1.00 0.33 H new ATOM 0 HB2 LEU A 97 -12.605 0.964 5.888 1.00 0.33 H new ATOM 0 HB3 LEU A 97 -11.986 2.591 6.088 1.00 0.33 H new ATOM 0 HG LEU A 97 -9.640 1.649 5.668 1.00 0.24 H new ATOM 0 HD11 LEU A 97 -9.502 -0.527 4.496 1.00 0.22 H new ATOM 0 HD12 LEU A 97 -10.135 -0.721 6.147 1.00 0.22 H new ATOM 0 HD13 LEU A 97 -11.244 -0.777 4.757 1.00 0.22 H new ATOM 0 HD21 LEU A 97 -10.002 1.527 3.197 1.00 0.30 H new ATOM 0 HD22 LEU A 97 -11.747 1.310 3.471 1.00 0.30 H new ATOM 0 HD23 LEU A 97 -10.960 2.841 3.920 1.00 0.30 H new ATOM 1591 N ALA A 98 -10.188 -0.808 8.246 1.00 0.25 N ATOM 1592 CA ALA A 98 -10.077 -2.278 8.465 1.00 0.29 C ATOM 1593 C ALA A 98 -10.629 -2.632 9.847 1.00 0.36 C ATOM 1594 O ALA A 98 -11.700 -3.192 9.973 1.00 0.41 O ATOM 1595 CB ALA A 98 -8.608 -2.696 8.381 1.00 0.23 C ATOM 0 H ALA A 98 -9.335 -0.277 8.422 1.00 0.25 H new ATOM 0 HA ALA A 98 -10.649 -2.803 7.700 1.00 0.29 H new ATOM 0 HB1 ALA A 98 -8.526 -3.771 8.541 1.00 0.23 H new ATOM 0 HB2 ALA A 98 -8.214 -2.445 7.396 1.00 0.23 H new ATOM 0 HB3 ALA A 98 -8.036 -2.171 9.146 1.00 0.23 H new ATOM 1601 N GLY A 99 -9.908 -2.309 10.885 1.00 0.38 N ATOM 1602 CA GLY A 99 -10.392 -2.628 12.257 1.00 0.47 C ATOM 1603 C GLY A 99 -10.214 -4.122 12.530 1.00 0.54 C ATOM 1604 O GLY A 99 -11.156 -4.888 12.487 1.00 1.27 O ATOM 0 H GLY A 99 -9.004 -1.838 10.842 1.00 0.38 H new ATOM 0 HA2 GLY A 99 -9.839 -2.045 12.993 1.00 0.47 H new ATOM 0 HA3 GLY A 99 -11.442 -2.353 12.356 1.00 0.47 H new ATOM 1608 N LEU A 100 -9.010 -4.544 12.809 1.00 0.48 N ATOM 1609 CA LEU A 100 -8.772 -5.989 13.084 1.00 0.46 C ATOM 1610 C LEU A 100 -7.643 -6.134 14.106 1.00 0.47 C ATOM 1611 O LEU A 100 -6.526 -5.716 13.875 1.00 0.50 O ATOM 1612 CB LEU A 100 -8.379 -6.697 11.785 1.00 0.41 C ATOM 1613 CG LEU A 100 -9.436 -7.745 11.435 1.00 0.72 C ATOM 1614 CD1 LEU A 100 -9.128 -8.342 10.061 1.00 0.86 C ATOM 1615 CD2 LEU A 100 -9.419 -8.855 12.487 1.00 0.95 C ATOM 0 H LEU A 100 -8.182 -3.950 12.858 1.00 0.48 H new ATOM 0 HA LEU A 100 -9.682 -6.438 13.482 1.00 0.46 H new ATOM 0 HB2 LEU A 100 -8.289 -5.972 10.976 1.00 0.41 H new ATOM 0 HB3 LEU A 100 -7.404 -7.172 11.898 1.00 0.41 H new ATOM 0 HG LEU A 100 -10.420 -7.276 11.415 1.00 0.72 H new ATOM 0 HD11 LEU A 100 -9.882 -9.089 9.812 1.00 0.86 H new ATOM 0 HD12 LEU A 100 -9.138 -7.552 9.310 1.00 0.86 H new ATOM 0 HD13 LEU A 100 -8.144 -8.811 10.080 1.00 0.86 H new ATOM 0 HD21 LEU A 100 -10.172 -9.603 12.239 1.00 0.95 H new ATOM 0 HD22 LEU A 100 -8.435 -9.323 12.506 1.00 0.95 H new ATOM 0 HD23 LEU A 100 -9.638 -8.431 13.467 1.00 0.95 H new ATOM 1627 N ASN A 101 -7.925 -6.724 15.235 1.00 0.47 N ATOM 1628 CA ASN A 101 -6.867 -6.894 16.271 1.00 0.47 C ATOM 1629 C ASN A 101 -5.874 -7.964 15.815 1.00 0.43 C ATOM 1630 O ASN A 101 -4.745 -7.673 15.473 1.00 0.41 O ATOM 1631 CB ASN A 101 -7.510 -7.325 17.591 1.00 0.53 C ATOM 1632 CG ASN A 101 -8.329 -6.166 18.162 1.00 0.64 C ATOM 1633 OD1 ASN A 101 -8.989 -6.313 19.173 1.00 1.41 O ATOM 1634 ND2 ASN A 101 -8.315 -5.011 17.555 1.00 1.12 N ATOM 0 H ASN A 101 -8.841 -7.095 15.485 1.00 0.47 H new ATOM 0 HA ASN A 101 -6.343 -5.949 16.413 1.00 0.47 H new ATOM 0 HB2 ASN A 101 -8.151 -8.192 17.430 1.00 0.53 H new ATOM 0 HB3 ASN A 101 -6.740 -7.625 18.302 1.00 0.53 H new ATOM 0 HD21 ASN A 101 -8.857 -4.232 17.928 1.00 1.12 H new ATOM 0 HD22 ASN A 101 -7.762 -4.887 16.707 1.00 1.12 H new ATOM 1641 N SER A 102 -6.285 -9.203 15.806 1.00 0.44 N ATOM 1642 CA SER A 102 -5.364 -10.290 15.371 1.00 0.43 C ATOM 1643 C SER A 102 -5.420 -10.429 13.848 1.00 0.36 C ATOM 1644 O SER A 102 -6.480 -10.417 13.253 1.00 0.35 O ATOM 1645 CB SER A 102 -5.790 -11.609 16.019 1.00 0.51 C ATOM 1646 OG SER A 102 -7.156 -11.859 15.717 1.00 0.89 O ATOM 0 H SER A 102 -7.218 -9.509 16.081 1.00 0.44 H new ATOM 0 HA SER A 102 -4.346 -10.047 15.676 1.00 0.43 H new ATOM 0 HB2 SER A 102 -5.169 -12.426 15.652 1.00 0.51 H new ATOM 0 HB3 SER A 102 -5.647 -11.560 17.098 1.00 0.51 H new ATOM 0 HG SER A 102 -7.333 -11.623 14.782 1.00 0.89 H new ATOM 1652 N CYS A 103 -4.289 -10.559 13.212 1.00 0.33 N ATOM 1653 CA CYS A 103 -4.278 -10.698 11.729 1.00 0.27 C ATOM 1654 C CYS A 103 -2.906 -11.204 11.266 1.00 0.25 C ATOM 1655 O CYS A 103 -2.170 -10.475 10.632 1.00 0.23 O ATOM 1656 CB CYS A 103 -4.550 -9.333 11.095 1.00 0.28 C ATOM 1657 SG CYS A 103 -4.680 -9.518 9.299 1.00 0.24 S ATOM 0 H CYS A 103 -3.371 -10.575 13.656 1.00 0.33 H new ATOM 0 HA CYS A 103 -5.047 -11.409 11.426 1.00 0.27 H new ATOM 0 HB2 CYS A 103 -5.472 -8.911 11.496 1.00 0.28 H new ATOM 0 HB3 CYS A 103 -3.747 -8.638 11.343 1.00 0.28 H new ATOM 1662 N PRO A 104 -2.594 -12.436 11.597 1.00 0.26 N ATOM 1663 CA PRO A 104 -1.303 -13.038 11.216 1.00 0.27 C ATOM 1664 C PRO A 104 -1.189 -13.124 9.692 1.00 0.25 C ATOM 1665 O PRO A 104 -2.170 -13.294 8.995 1.00 0.22 O ATOM 1666 CB PRO A 104 -1.324 -14.442 11.837 1.00 0.32 C ATOM 1667 CG PRO A 104 -2.674 -14.610 12.578 1.00 0.31 C ATOM 1668 CD PRO A 104 -3.488 -13.322 12.369 1.00 0.28 C ATOM 0 HA PRO A 104 -0.453 -12.451 11.563 1.00 0.27 H new ATOM 0 HB2 PRO A 104 -1.215 -15.203 11.065 1.00 0.32 H new ATOM 0 HB3 PRO A 104 -0.490 -14.567 12.528 1.00 0.32 H new ATOM 0 HG2 PRO A 104 -3.217 -15.472 12.191 1.00 0.31 H new ATOM 0 HG3 PRO A 104 -2.507 -14.788 13.640 1.00 0.31 H new ATOM 0 HD2 PRO A 104 -4.413 -13.521 11.827 1.00 0.28 H new ATOM 0 HD3 PRO A 104 -3.767 -12.871 13.321 1.00 0.28 H new ATOM 1676 N VAL A 105 0.002 -13.007 9.170 1.00 0.30 N ATOM 1677 CA VAL A 105 0.178 -13.082 7.693 1.00 0.33 C ATOM 1678 C VAL A 105 0.235 -14.547 7.257 1.00 0.40 C ATOM 1679 O VAL A 105 0.848 -15.373 7.902 1.00 0.44 O ATOM 1680 CB VAL A 105 1.480 -12.382 7.299 1.00 0.31 C ATOM 1681 CG1 VAL A 105 2.664 -13.112 7.937 1.00 0.25 C ATOM 1682 CG2 VAL A 105 1.630 -12.405 5.776 1.00 0.33 C ATOM 0 H VAL A 105 0.860 -12.863 9.703 1.00 0.30 H new ATOM 0 HA VAL A 105 -0.663 -12.591 7.203 1.00 0.33 H new ATOM 0 HB VAL A 105 1.458 -11.349 7.648 1.00 0.31 H new ATOM 0 HG11 VAL A 105 3.592 -12.614 7.657 1.00 0.25 H new ATOM 0 HG12 VAL A 105 2.558 -13.099 9.022 1.00 0.25 H new ATOM 0 HG13 VAL A 105 2.686 -14.144 7.587 1.00 0.25 H new ATOM 0 HG21 VAL A 105 2.557 -11.906 5.494 1.00 0.33 H new ATOM 0 HG22 VAL A 105 1.653 -13.438 5.428 1.00 0.33 H new ATOM 0 HG23 VAL A 105 0.786 -11.887 5.319 1.00 0.33 H new ATOM 1692 N LYS A 106 -0.402 -14.876 6.166 1.00 0.64 N ATOM 1693 CA LYS A 106 -0.383 -16.288 5.690 1.00 0.87 C ATOM 1694 C LYS A 106 0.909 -16.543 4.906 1.00 0.65 C ATOM 1695 O LYS A 106 1.992 -16.237 5.364 1.00 0.58 O ATOM 1696 CB LYS A 106 -1.597 -16.535 4.788 1.00 1.13 C ATOM 1697 CG LYS A 106 -1.885 -18.035 4.715 1.00 1.14 C ATOM 1698 CD LYS A 106 -3.060 -18.284 3.767 1.00 1.79 C ATOM 1699 CE LYS A 106 -2.568 -19.037 2.529 1.00 2.53 C ATOM 1700 NZ LYS A 106 -1.567 -18.203 1.806 1.00 3.94 N ATOM 0 H LYS A 106 -0.934 -14.229 5.585 1.00 0.64 H new ATOM 0 HA LYS A 106 -0.425 -16.965 6.543 1.00 0.87 H new ATOM 0 HB2 LYS A 106 -2.466 -16.006 5.178 1.00 1.13 H new ATOM 0 HB3 LYS A 106 -1.407 -16.142 3.789 1.00 1.13 H new ATOM 0 HG2 LYS A 106 -1.002 -18.569 4.364 1.00 1.14 H new ATOM 0 HG3 LYS A 106 -2.117 -18.420 5.708 1.00 1.14 H new ATOM 0 HD2 LYS A 106 -3.833 -18.862 4.273 1.00 1.79 H new ATOM 0 HD3 LYS A 106 -3.511 -17.336 3.474 1.00 1.79 H new ATOM 0 HE2 LYS A 106 -2.122 -19.988 2.822 1.00 2.53 H new ATOM 0 HE3 LYS A 106 -3.407 -19.267 1.873 1.00 2.53 H new ATOM 0 HZ1 LYS A 106 -1.729 -18.277 0.781 1.00 3.94 H new ATOM 0 HZ2 LYS A 106 -1.664 -17.211 2.101 1.00 3.94 H new ATOM 0 HZ3 LYS A 106 -0.609 -18.539 2.030 1.00 3.94 H new ATOM 1714 N GLU A 107 0.806 -17.100 3.730 1.00 0.59 N ATOM 1715 CA GLU A 107 2.028 -17.372 2.923 1.00 0.44 C ATOM 1716 C GLU A 107 1.704 -17.210 1.436 1.00 0.54 C ATOM 1717 O GLU A 107 0.601 -17.472 1.000 1.00 1.03 O ATOM 1718 CB GLU A 107 2.508 -18.801 3.188 1.00 0.53 C ATOM 1719 CG GLU A 107 3.229 -18.855 4.536 1.00 0.65 C ATOM 1720 CD GLU A 107 3.675 -20.290 4.819 1.00 1.17 C ATOM 1721 OE1 GLU A 107 2.817 -21.111 5.103 1.00 2.28 O ATOM 1722 OE2 GLU A 107 4.865 -20.546 4.748 1.00 0.94 O ATOM 0 H GLU A 107 -0.073 -17.378 3.293 1.00 0.59 H new ATOM 0 HA GLU A 107 2.812 -16.668 3.203 1.00 0.44 H new ATOM 0 HB2 GLU A 107 1.660 -19.486 3.189 1.00 0.53 H new ATOM 0 HB3 GLU A 107 3.178 -19.124 2.392 1.00 0.53 H new ATOM 0 HG2 GLU A 107 4.093 -18.190 4.525 1.00 0.65 H new ATOM 0 HG3 GLU A 107 2.567 -18.506 5.329 1.00 0.65 H new ATOM 1729 N ALA A 108 2.657 -16.781 0.655 1.00 0.25 N ATOM 1730 CA ALA A 108 2.402 -16.604 -0.803 1.00 0.40 C ATOM 1731 C ALA A 108 3.737 -16.506 -1.545 1.00 0.21 C ATOM 1732 O ALA A 108 4.774 -16.865 -1.026 1.00 0.26 O ATOM 1733 CB ALA A 108 1.599 -15.321 -1.027 1.00 0.76 C ATOM 0 H ALA A 108 3.601 -16.545 0.963 1.00 0.25 H new ATOM 0 HA ALA A 108 1.838 -17.457 -1.180 1.00 0.40 H new ATOM 0 HB1 ALA A 108 1.412 -15.190 -2.093 1.00 0.76 H new ATOM 0 HB2 ALA A 108 0.649 -15.389 -0.497 1.00 0.76 H new ATOM 0 HB3 ALA A 108 2.164 -14.468 -0.651 1.00 0.76 H new ATOM 1739 N ASP A 109 3.717 -16.025 -2.758 1.00 0.15 N ATOM 1740 CA ASP A 109 4.983 -15.905 -3.533 1.00 0.29 C ATOM 1741 C ASP A 109 5.578 -14.511 -3.328 1.00 0.26 C ATOM 1742 O ASP A 109 5.864 -14.104 -2.219 1.00 0.35 O ATOM 1743 CB ASP A 109 4.694 -16.123 -5.020 1.00 0.48 C ATOM 1744 CG ASP A 109 3.881 -17.406 -5.200 1.00 0.37 C ATOM 1745 OD1 ASP A 109 3.942 -18.251 -4.322 1.00 0.92 O ATOM 1746 OD2 ASP A 109 3.210 -17.522 -6.213 1.00 0.62 O ATOM 0 H ASP A 109 2.878 -15.710 -3.245 1.00 0.15 H new ATOM 0 HA ASP A 109 5.693 -16.657 -3.187 1.00 0.29 H new ATOM 0 HB2 ASP A 109 4.144 -15.272 -5.423 1.00 0.48 H new ATOM 0 HB3 ASP A 109 5.629 -16.191 -5.577 1.00 0.48 H new ATOM 1751 N GLN A 110 5.766 -13.774 -4.388 1.00 0.28 N ATOM 1752 CA GLN A 110 6.342 -12.407 -4.253 1.00 0.35 C ATOM 1753 C GLN A 110 5.756 -11.497 -5.335 1.00 0.36 C ATOM 1754 O GLN A 110 5.058 -11.944 -6.223 1.00 0.46 O ATOM 1755 CB GLN A 110 7.863 -12.475 -4.414 1.00 0.49 C ATOM 1756 CG GLN A 110 8.531 -11.679 -3.292 1.00 1.26 C ATOM 1757 CD GLN A 110 10.052 -11.751 -3.450 1.00 1.45 C ATOM 1758 OE1 GLN A 110 10.548 -12.111 -4.499 1.00 1.18 O ATOM 1759 NE2 GLN A 110 10.816 -11.424 -2.444 1.00 2.54 N ATOM 0 H GLN A 110 5.545 -14.060 -5.342 1.00 0.28 H new ATOM 0 HA GLN A 110 6.098 -12.006 -3.269 1.00 0.35 H new ATOM 0 HB2 GLN A 110 8.196 -13.512 -4.386 1.00 0.49 H new ATOM 0 HB3 GLN A 110 8.155 -12.072 -5.384 1.00 0.49 H new ATOM 0 HG2 GLN A 110 8.200 -10.641 -3.322 1.00 1.26 H new ATOM 0 HG3 GLN A 110 8.236 -12.080 -2.322 1.00 1.26 H new ATOM 0 HE21 GLN A 110 10.399 -11.122 -1.564 1.00 2.54 H new ATOM 0 HE22 GLN A 110 11.831 -11.470 -2.538 1.00 2.54 H new ATOM 1768 N SER A 111 6.033 -10.224 -5.267 1.00 0.28 N ATOM 1769 CA SER A 111 5.490 -9.288 -6.291 1.00 0.29 C ATOM 1770 C SER A 111 6.314 -7.998 -6.290 1.00 0.26 C ATOM 1771 O SER A 111 6.860 -7.600 -5.281 1.00 0.32 O ATOM 1772 CB SER A 111 4.033 -8.963 -5.965 1.00 0.33 C ATOM 1773 OG SER A 111 3.920 -8.649 -4.583 1.00 0.36 O ATOM 0 H SER A 111 6.612 -9.792 -4.547 1.00 0.28 H new ATOM 0 HA SER A 111 5.545 -9.754 -7.275 1.00 0.29 H new ATOM 0 HB2 SER A 111 3.692 -8.123 -6.570 1.00 0.33 H new ATOM 0 HB3 SER A 111 3.395 -9.812 -6.210 1.00 0.33 H new ATOM 0 HG SER A 111 3.892 -7.676 -4.470 1.00 0.36 H new ATOM 1779 N THR A 112 6.406 -7.341 -7.414 1.00 0.19 N ATOM 1780 CA THR A 112 7.194 -6.078 -7.474 1.00 0.19 C ATOM 1781 C THR A 112 6.366 -4.932 -6.890 1.00 0.20 C ATOM 1782 O THR A 112 5.152 -4.947 -6.929 1.00 0.40 O ATOM 1783 CB THR A 112 7.543 -5.764 -8.932 1.00 0.28 C ATOM 1784 OG1 THR A 112 6.473 -6.173 -9.772 1.00 0.31 O ATOM 1785 CG2 THR A 112 8.818 -6.511 -9.325 1.00 0.36 C ATOM 0 H THR A 112 5.970 -7.624 -8.292 1.00 0.19 H new ATOM 0 HA THR A 112 8.111 -6.194 -6.897 1.00 0.19 H new ATOM 0 HB THR A 112 7.704 -4.692 -9.045 1.00 0.28 H new ATOM 0 HG1 THR A 112 6.796 -6.841 -10.412 1.00 0.31 H new ATOM 0 HG21 THR A 112 9.066 -6.287 -10.363 1.00 0.36 H new ATOM 0 HG22 THR A 112 9.638 -6.195 -8.680 1.00 0.36 H new ATOM 0 HG23 THR A 112 8.660 -7.584 -9.213 1.00 0.36 H new ATOM 1793 N LEU A 113 7.014 -3.937 -6.348 1.00 0.22 N ATOM 1794 CA LEU A 113 6.263 -2.791 -5.762 1.00 0.20 C ATOM 1795 C LEU A 113 5.379 -2.158 -6.839 1.00 0.22 C ATOM 1796 O LEU A 113 4.268 -1.741 -6.577 1.00 0.23 O ATOM 1797 CB LEU A 113 7.260 -1.751 -5.235 1.00 0.26 C ATOM 1798 CG LEU A 113 6.513 -0.600 -4.549 1.00 0.32 C ATOM 1799 CD1 LEU A 113 5.746 -1.124 -3.331 1.00 0.35 C ATOM 1800 CD2 LEU A 113 7.522 0.456 -4.094 1.00 0.31 C ATOM 0 H LEU A 113 8.030 -3.868 -6.286 1.00 0.22 H new ATOM 0 HA LEU A 113 5.636 -3.142 -4.942 1.00 0.20 H new ATOM 0 HB2 LEU A 113 7.947 -2.220 -4.530 1.00 0.26 H new ATOM 0 HB3 LEU A 113 7.862 -1.364 -6.057 1.00 0.26 H new ATOM 0 HG LEU A 113 5.807 -0.161 -5.254 1.00 0.32 H new ATOM 0 HD11 LEU A 113 5.219 -0.300 -2.851 1.00 0.35 H new ATOM 0 HD12 LEU A 113 5.026 -1.878 -3.651 1.00 0.35 H new ATOM 0 HD13 LEU A 113 6.446 -1.568 -2.624 1.00 0.35 H new ATOM 0 HD21 LEU A 113 6.995 1.276 -3.606 1.00 0.31 H new ATOM 0 HD22 LEU A 113 8.226 0.008 -3.393 1.00 0.31 H new ATOM 0 HD23 LEU A 113 8.065 0.837 -4.959 1.00 0.31 H new ATOM 1812 N GLU A 114 5.862 -2.086 -8.049 1.00 0.33 N ATOM 1813 CA GLU A 114 5.047 -1.480 -9.140 1.00 0.40 C ATOM 1814 C GLU A 114 3.870 -2.401 -9.467 1.00 0.26 C ATOM 1815 O GLU A 114 2.729 -2.088 -9.191 1.00 0.27 O ATOM 1816 CB GLU A 114 5.917 -1.301 -10.386 1.00 0.54 C ATOM 1817 CG GLU A 114 5.162 -0.462 -11.419 1.00 0.65 C ATOM 1818 CD GLU A 114 6.015 -0.317 -12.681 1.00 0.53 C ATOM 1819 OE1 GLU A 114 6.535 -1.320 -13.139 1.00 1.00 O ATOM 1820 OE2 GLU A 114 6.135 0.797 -13.167 1.00 1.53 O ATOM 0 H GLU A 114 6.784 -2.420 -8.329 1.00 0.33 H new ATOM 0 HA GLU A 114 4.670 -0.509 -8.818 1.00 0.40 H new ATOM 0 HB2 GLU A 114 6.855 -0.813 -10.121 1.00 0.54 H new ATOM 0 HB3 GLU A 114 6.172 -2.273 -10.808 1.00 0.54 H new ATOM 0 HG2 GLU A 114 4.211 -0.935 -11.663 1.00 0.65 H new ATOM 0 HG3 GLU A 114 4.933 0.521 -11.007 1.00 0.65 H new ATOM 1827 N ASN A 115 4.136 -3.535 -10.055 1.00 0.17 N ATOM 1828 CA ASN A 115 3.030 -4.473 -10.399 1.00 0.07 C ATOM 1829 C ASN A 115 2.109 -4.638 -9.190 1.00 0.08 C ATOM 1830 O ASN A 115 0.901 -4.649 -9.314 1.00 0.19 O ATOM 1831 CB ASN A 115 3.616 -5.834 -10.784 1.00 0.18 C ATOM 1832 CG ASN A 115 4.613 -5.655 -11.930 1.00 0.54 C ATOM 1833 OD1 ASN A 115 4.399 -6.148 -13.020 1.00 0.33 O ATOM 1834 ND2 ASN A 115 5.704 -4.966 -11.730 1.00 1.63 N ATOM 0 H ASN A 115 5.071 -3.853 -10.312 1.00 0.17 H new ATOM 0 HA ASN A 115 2.461 -4.073 -11.238 1.00 0.07 H new ATOM 0 HB2 ASN A 115 4.111 -6.285 -9.924 1.00 0.18 H new ATOM 0 HB3 ASN A 115 2.818 -6.513 -11.085 1.00 0.18 H new ATOM 0 HD21 ASN A 115 6.375 -4.842 -12.488 1.00 1.63 H new ATOM 0 HD22 ASN A 115 5.885 -4.552 -10.816 1.00 1.63 H new ATOM 1841 N PHE A 116 2.670 -4.766 -8.019 1.00 0.10 N ATOM 1842 CA PHE A 116 1.826 -4.928 -6.801 1.00 0.09 C ATOM 1843 C PHE A 116 0.871 -3.740 -6.684 1.00 0.12 C ATOM 1844 O PHE A 116 -0.282 -3.888 -6.328 1.00 0.19 O ATOM 1845 CB PHE A 116 2.722 -4.989 -5.563 1.00 0.13 C ATOM 1846 CG PHE A 116 1.864 -5.000 -4.320 1.00 0.13 C ATOM 1847 CD1 PHE A 116 1.455 -3.793 -3.740 1.00 0.14 C ATOM 1848 CD2 PHE A 116 1.477 -6.217 -3.748 1.00 0.12 C ATOM 1849 CE1 PHE A 116 0.660 -3.803 -2.589 1.00 0.15 C ATOM 1850 CE2 PHE A 116 0.682 -6.229 -2.596 1.00 0.14 C ATOM 1851 CZ PHE A 116 0.272 -5.021 -2.016 1.00 0.16 C ATOM 0 H PHE A 116 3.676 -4.765 -7.853 1.00 0.10 H new ATOM 0 HA PHE A 116 1.251 -5.851 -6.876 1.00 0.09 H new ATOM 0 HB2 PHE A 116 3.345 -5.883 -5.596 1.00 0.13 H new ATOM 0 HB3 PHE A 116 3.395 -4.132 -5.546 1.00 0.13 H new ATOM 0 HD1 PHE A 116 1.753 -2.854 -4.182 1.00 0.14 H new ATOM 0 HD2 PHE A 116 1.792 -7.148 -4.196 1.00 0.12 H new ATOM 0 HE1 PHE A 116 0.345 -2.872 -2.142 1.00 0.15 H new ATOM 0 HE2 PHE A 116 0.385 -7.169 -2.154 1.00 0.14 H new ATOM 0 HZ PHE A 116 -0.343 -5.029 -1.128 1.00 0.16 H new ATOM 1861 N LEU A 117 1.340 -2.558 -6.980 1.00 0.21 N ATOM 1862 CA LEU A 117 0.459 -1.361 -6.886 1.00 0.28 C ATOM 1863 C LEU A 117 -0.464 -1.310 -8.105 1.00 0.26 C ATOM 1864 O LEU A 117 -1.531 -0.731 -8.065 1.00 0.33 O ATOM 1865 CB LEU A 117 1.320 -0.095 -6.844 1.00 0.30 C ATOM 1866 CG LEU A 117 1.545 0.324 -5.389 1.00 0.50 C ATOM 1867 CD1 LEU A 117 2.767 1.241 -5.306 1.00 0.49 C ATOM 1868 CD2 LEU A 117 0.313 1.075 -4.875 1.00 0.62 C ATOM 0 H LEU A 117 2.296 -2.371 -7.283 1.00 0.21 H new ATOM 0 HA LEU A 117 -0.141 -1.422 -5.978 1.00 0.28 H new ATOM 0 HB2 LEU A 117 2.277 -0.277 -7.333 1.00 0.30 H new ATOM 0 HB3 LEU A 117 0.830 0.709 -7.393 1.00 0.30 H new ATOM 0 HG LEU A 117 1.711 -0.564 -4.779 1.00 0.50 H new ATOM 0 HD11 LEU A 117 2.928 1.540 -4.270 1.00 0.49 H new ATOM 0 HD12 LEU A 117 3.646 0.710 -5.671 1.00 0.49 H new ATOM 0 HD13 LEU A 117 2.599 2.128 -5.917 1.00 0.49 H new ATOM 0 HD21 LEU A 117 0.474 1.373 -3.839 1.00 0.62 H new ATOM 0 HD22 LEU A 117 0.147 1.962 -5.486 1.00 0.62 H new ATOM 0 HD23 LEU A 117 -0.560 0.425 -4.934 1.00 0.62 H new ATOM 1880 N GLU A 118 -0.061 -1.913 -9.191 1.00 0.19 N ATOM 1881 CA GLU A 118 -0.916 -1.899 -10.411 1.00 0.23 C ATOM 1882 C GLU A 118 -2.147 -2.777 -10.180 1.00 0.32 C ATOM 1883 O GLU A 118 -3.265 -2.374 -10.432 1.00 0.65 O ATOM 1884 CB GLU A 118 -0.118 -2.441 -11.599 1.00 0.21 C ATOM 1885 CG GLU A 118 -0.858 -2.123 -12.899 1.00 0.27 C ATOM 1886 CD GLU A 118 -0.035 -2.618 -14.090 1.00 1.31 C ATOM 1887 OE1 GLU A 118 0.318 -3.786 -14.096 1.00 2.36 O ATOM 1888 OE2 GLU A 118 0.229 -1.821 -14.974 1.00 1.45 O ATOM 0 H GLU A 118 0.822 -2.414 -9.285 1.00 0.19 H new ATOM 0 HA GLU A 118 -1.233 -0.878 -10.622 1.00 0.23 H new ATOM 0 HB2 GLU A 118 0.877 -1.995 -11.616 1.00 0.21 H new ATOM 0 HB3 GLU A 118 0.017 -3.518 -11.499 1.00 0.21 H new ATOM 0 HG2 GLU A 118 -1.838 -2.600 -12.898 1.00 0.27 H new ATOM 0 HG3 GLU A 118 -1.026 -1.049 -12.981 1.00 0.27 H new ATOM 1895 N ARG A 119 -1.951 -3.976 -9.702 1.00 0.04 N ATOM 1896 CA ARG A 119 -3.111 -4.878 -9.455 1.00 0.10 C ATOM 1897 C ARG A 119 -3.935 -4.339 -8.284 1.00 0.14 C ATOM 1898 O ARG A 119 -5.147 -4.428 -8.274 1.00 0.22 O ATOM 1899 CB ARG A 119 -2.602 -6.282 -9.118 1.00 0.08 C ATOM 1900 CG ARG A 119 -1.695 -6.215 -7.887 1.00 0.04 C ATOM 1901 CD ARG A 119 -0.920 -7.527 -7.752 1.00 0.03 C ATOM 1902 NE ARG A 119 -1.736 -8.645 -8.301 1.00 0.44 N ATOM 1903 CZ ARG A 119 -1.175 -9.794 -8.566 1.00 0.48 C ATOM 1904 NH1 ARG A 119 0.100 -9.962 -8.349 1.00 0.22 N ATOM 1905 NH2 ARG A 119 -1.890 -10.774 -9.047 1.00 0.85 N ATOM 0 H ARG A 119 -1.038 -4.369 -9.472 1.00 0.04 H new ATOM 0 HA ARG A 119 -3.735 -4.922 -10.348 1.00 0.10 H new ATOM 0 HB2 ARG A 119 -3.443 -6.949 -8.927 1.00 0.08 H new ATOM 0 HB3 ARG A 119 -2.054 -6.694 -9.965 1.00 0.08 H new ATOM 0 HG2 ARG A 119 -1.002 -5.379 -7.978 1.00 0.04 H new ATOM 0 HG3 ARG A 119 -2.291 -6.039 -6.992 1.00 0.04 H new ATOM 0 HD2 ARG A 119 0.028 -7.458 -8.286 1.00 0.03 H new ATOM 0 HD3 ARG A 119 -0.683 -7.716 -6.705 1.00 0.03 H new ATOM 0 HE ARG A 119 -2.733 -8.513 -8.470 1.00 0.44 H new ATOM 0 HH11 ARG A 119 0.659 -9.196 -7.972 1.00 0.22 H new ATOM 0 HH12 ARG A 119 0.539 -10.859 -8.556 1.00 0.22 H new ATOM 0 HH21 ARG A 119 -2.887 -10.643 -9.216 1.00 0.85 H new ATOM 0 HH22 ARG A 119 -1.452 -11.671 -9.254 1.00 0.85 H new ATOM 1919 N LEU A 120 -3.289 -3.779 -7.298 1.00 0.14 N ATOM 1920 CA LEU A 120 -4.037 -3.235 -6.131 1.00 0.22 C ATOM 1921 C LEU A 120 -4.968 -2.119 -6.607 1.00 0.32 C ATOM 1922 O LEU A 120 -6.170 -2.189 -6.446 1.00 0.37 O ATOM 1923 CB LEU A 120 -3.043 -2.676 -5.107 1.00 0.27 C ATOM 1924 CG LEU A 120 -3.706 -2.589 -3.727 1.00 0.33 C ATOM 1925 CD1 LEU A 120 -2.672 -2.132 -2.696 1.00 0.40 C ATOM 1926 CD2 LEU A 120 -4.862 -1.584 -3.761 1.00 0.41 C ATOM 0 H LEU A 120 -2.275 -3.675 -7.251 1.00 0.14 H new ATOM 0 HA LEU A 120 -4.626 -4.027 -5.668 1.00 0.22 H new ATOM 0 HB2 LEU A 120 -2.162 -3.315 -5.057 1.00 0.27 H new ATOM 0 HB3 LEU A 120 -2.703 -1.689 -5.419 1.00 0.27 H new ATOM 0 HG LEU A 120 -4.093 -3.571 -3.455 1.00 0.33 H new ATOM 0 HD11 LEU A 120 -3.141 -2.069 -1.714 1.00 0.40 H new ATOM 0 HD12 LEU A 120 -1.851 -2.849 -2.661 1.00 0.40 H new ATOM 0 HD13 LEU A 120 -2.286 -1.152 -2.977 1.00 0.40 H new ATOM 0 HD21 LEU A 120 -5.326 -1.530 -2.776 1.00 0.41 H new ATOM 0 HD22 LEU A 120 -4.481 -0.601 -4.037 1.00 0.41 H new ATOM 0 HD23 LEU A 120 -5.602 -1.906 -4.494 1.00 0.41 H new ATOM 1938 N LYS A 121 -4.423 -1.088 -7.192 1.00 0.34 N ATOM 1939 CA LYS A 121 -5.277 0.031 -7.679 1.00 0.43 C ATOM 1940 C LYS A 121 -6.447 -0.536 -8.485 1.00 0.44 C ATOM 1941 O LYS A 121 -7.578 -0.117 -8.335 1.00 0.51 O ATOM 1942 CB LYS A 121 -4.447 0.959 -8.568 1.00 0.47 C ATOM 1943 CG LYS A 121 -5.234 2.241 -8.846 1.00 0.51 C ATOM 1944 CD LYS A 121 -4.337 3.244 -9.575 1.00 0.16 C ATOM 1945 CE LYS A 121 -3.867 2.640 -10.901 1.00 0.37 C ATOM 1946 NZ LYS A 121 -3.537 3.735 -11.856 1.00 0.73 N ATOM 0 H LYS A 121 -3.423 -0.972 -7.354 1.00 0.34 H new ATOM 0 HA LYS A 121 -5.660 0.593 -6.827 1.00 0.43 H new ATOM 0 HB2 LYS A 121 -3.503 1.199 -8.079 1.00 0.47 H new ATOM 0 HB3 LYS A 121 -4.203 0.459 -9.505 1.00 0.47 H new ATOM 0 HG2 LYS A 121 -6.113 2.017 -9.451 1.00 0.51 H new ATOM 0 HG3 LYS A 121 -5.592 2.670 -7.910 1.00 0.51 H new ATOM 0 HD2 LYS A 121 -4.883 4.170 -9.758 1.00 0.16 H new ATOM 0 HD3 LYS A 121 -3.478 3.498 -8.954 1.00 0.16 H new ATOM 0 HE2 LYS A 121 -2.992 2.011 -10.737 1.00 0.37 H new ATOM 0 HE3 LYS A 121 -4.646 2.001 -11.318 1.00 0.37 H new ATOM 0 HZ1 LYS A 121 -3.218 3.325 -12.757 1.00 0.73 H new ATOM 0 HZ2 LYS A 121 -4.382 4.318 -12.021 1.00 0.73 H new ATOM 0 HZ3 LYS A 121 -2.780 4.327 -11.457 1.00 0.73 H new ATOM 1960 N THR A 122 -6.185 -1.486 -9.340 1.00 0.40 N ATOM 1961 CA THR A 122 -7.282 -2.080 -10.154 1.00 0.45 C ATOM 1962 C THR A 122 -8.301 -2.745 -9.227 1.00 0.45 C ATOM 1963 O THR A 122 -9.492 -2.528 -9.339 1.00 0.53 O ATOM 1964 CB THR A 122 -6.702 -3.126 -11.109 1.00 0.41 C ATOM 1965 OG1 THR A 122 -5.678 -2.531 -11.894 1.00 0.48 O ATOM 1966 CG2 THR A 122 -7.808 -3.653 -12.025 1.00 0.64 C ATOM 0 H THR A 122 -5.258 -1.877 -9.510 1.00 0.40 H new ATOM 0 HA THR A 122 -7.772 -1.295 -10.730 1.00 0.45 H new ATOM 0 HB THR A 122 -6.286 -3.953 -10.533 1.00 0.41 H new ATOM 0 HG1 THR A 122 -4.846 -2.498 -11.376 1.00 0.48 H new ATOM 0 HG21 THR A 122 -7.394 -4.398 -12.705 1.00 0.64 H new ATOM 0 HG22 THR A 122 -8.593 -4.109 -11.422 1.00 0.64 H new ATOM 0 HG23 THR A 122 -8.226 -2.828 -12.602 1.00 0.64 H new ATOM 1974 N ILE A 123 -7.844 -3.554 -8.311 1.00 0.36 N ATOM 1975 CA ILE A 123 -8.787 -4.232 -7.377 1.00 0.37 C ATOM 1976 C ILE A 123 -9.625 -3.179 -6.647 1.00 0.38 C ATOM 1977 O ILE A 123 -10.828 -3.299 -6.534 1.00 0.39 O ATOM 1978 CB ILE A 123 -7.995 -5.050 -6.357 1.00 0.35 C ATOM 1979 CG1 ILE A 123 -7.358 -6.255 -7.056 1.00 0.31 C ATOM 1980 CG2 ILE A 123 -8.934 -5.540 -5.254 1.00 0.51 C ATOM 1981 CD1 ILE A 123 -6.252 -6.833 -6.171 1.00 0.27 C ATOM 0 H ILE A 123 -6.858 -3.775 -8.169 1.00 0.36 H new ATOM 0 HA ILE A 123 -9.444 -4.894 -7.941 1.00 0.37 H new ATOM 0 HB ILE A 123 -7.215 -4.427 -5.919 1.00 0.35 H new ATOM 0 HG12 ILE A 123 -8.114 -7.015 -7.255 1.00 0.31 H new ATOM 0 HG13 ILE A 123 -6.947 -5.954 -8.020 1.00 0.31 H new ATOM 0 HG21 ILE A 123 -8.368 -6.123 -4.527 1.00 0.51 H new ATOM 0 HG22 ILE A 123 -9.389 -4.684 -4.757 1.00 0.51 H new ATOM 0 HG23 ILE A 123 -9.714 -6.163 -5.691 1.00 0.51 H new ATOM 0 HD11 ILE A 123 -5.799 -7.690 -6.668 1.00 0.27 H new ATOM 0 HD12 ILE A 123 -5.492 -6.072 -5.995 1.00 0.27 H new ATOM 0 HD13 ILE A 123 -6.676 -7.149 -5.218 1.00 0.27 H new ATOM 1993 N MET A 124 -8.997 -2.149 -6.151 1.00 0.38 N ATOM 1994 CA MET A 124 -9.757 -1.091 -5.430 1.00 0.39 C ATOM 1995 C MET A 124 -10.966 -0.670 -6.269 1.00 0.51 C ATOM 1996 O MET A 124 -12.098 -0.779 -5.842 1.00 0.58 O ATOM 1997 CB MET A 124 -8.852 0.121 -5.198 1.00 0.38 C ATOM 1998 CG MET A 124 -8.035 -0.089 -3.921 1.00 0.25 C ATOM 1999 SD MET A 124 -8.928 0.610 -2.511 1.00 0.54 S ATOM 2000 CE MET A 124 -7.615 0.401 -1.284 1.00 0.35 C ATOM 0 H MET A 124 -7.991 -1.995 -6.214 1.00 0.38 H new ATOM 0 HA MET A 124 -10.097 -1.480 -4.470 1.00 0.39 H new ATOM 0 HB2 MET A 124 -8.186 0.259 -6.050 1.00 0.38 H new ATOM 0 HB3 MET A 124 -9.453 1.026 -5.113 1.00 0.38 H new ATOM 0 HG2 MET A 124 -7.857 -1.152 -3.761 1.00 0.25 H new ATOM 0 HG3 MET A 124 -7.059 0.386 -4.019 1.00 0.25 H new ATOM 0 HE1 MET A 124 -7.957 0.774 -0.318 1.00 0.35 H new ATOM 0 HE2 MET A 124 -7.364 -0.656 -1.196 1.00 0.35 H new ATOM 0 HE3 MET A 124 -6.732 0.959 -1.597 1.00 0.35 H new ATOM 2010 N ARG A 125 -10.734 -0.192 -7.461 1.00 0.55 N ATOM 2011 CA ARG A 125 -11.870 0.234 -8.326 1.00 0.68 C ATOM 2012 C ARG A 125 -12.856 -0.926 -8.479 1.00 0.72 C ATOM 2013 O ARG A 125 -14.037 -0.727 -8.679 1.00 0.85 O ATOM 2014 CB ARG A 125 -11.340 0.638 -9.703 1.00 0.73 C ATOM 2015 CG ARG A 125 -11.083 2.146 -9.729 1.00 0.59 C ATOM 2016 CD ARG A 125 -10.052 2.469 -10.813 1.00 0.87 C ATOM 2017 NE ARG A 125 -10.327 3.823 -11.372 1.00 0.42 N ATOM 2018 CZ ARG A 125 -9.419 4.431 -12.085 1.00 0.75 C ATOM 2019 NH1 ARG A 125 -8.271 3.853 -12.310 1.00 1.68 N ATOM 2020 NH2 ARG A 125 -9.659 5.616 -12.575 1.00 0.77 N ATOM 0 H ARG A 125 -9.808 -0.078 -7.873 1.00 0.55 H new ATOM 0 HA ARG A 125 -12.376 1.084 -7.869 1.00 0.68 H new ATOM 0 HB2 ARG A 125 -10.419 0.098 -9.923 1.00 0.73 H new ATOM 0 HB3 ARG A 125 -12.060 0.368 -10.475 1.00 0.73 H new ATOM 0 HG2 ARG A 125 -12.012 2.681 -9.925 1.00 0.59 H new ATOM 0 HG3 ARG A 125 -10.721 2.481 -8.757 1.00 0.59 H new ATOM 0 HD2 ARG A 125 -9.046 2.434 -10.395 1.00 0.87 H new ATOM 0 HD3 ARG A 125 -10.095 1.721 -11.605 1.00 0.87 H new ATOM 0 HE ARG A 125 -11.225 4.274 -11.197 1.00 0.42 H new ATOM 0 HH11 ARG A 125 -8.083 2.926 -11.929 1.00 1.68 H new ATOM 0 HH12 ARG A 125 -7.561 4.328 -12.867 1.00 1.68 H new ATOM 0 HH21 ARG A 125 -10.557 6.068 -12.401 1.00 0.77 H new ATOM 0 HH22 ARG A 125 -8.949 6.091 -13.132 1.00 0.77 H new ATOM 2034 N GLU A 126 -12.380 -2.137 -8.385 1.00 0.64 N ATOM 2035 CA GLU A 126 -13.290 -3.308 -8.525 1.00 0.70 C ATOM 2036 C GLU A 126 -14.202 -3.394 -7.299 1.00 0.76 C ATOM 2037 O GLU A 126 -15.412 -3.387 -7.412 1.00 0.80 O ATOM 2038 CB GLU A 126 -12.460 -4.589 -8.634 1.00 0.63 C ATOM 2039 CG GLU A 126 -13.203 -5.609 -9.499 1.00 0.74 C ATOM 2040 CD GLU A 126 -12.478 -6.954 -9.440 1.00 1.21 C ATOM 2041 OE1 GLU A 126 -11.572 -7.152 -10.233 1.00 1.66 O ATOM 2042 OE2 GLU A 126 -12.841 -7.764 -8.603 1.00 1.72 O ATOM 0 H GLU A 126 -11.400 -2.366 -8.217 1.00 0.64 H new ATOM 0 HA GLU A 126 -13.897 -3.191 -9.423 1.00 0.70 H new ATOM 0 HB2 GLU A 126 -11.486 -4.367 -9.071 1.00 0.63 H new ATOM 0 HB3 GLU A 126 -12.278 -5.002 -7.642 1.00 0.63 H new ATOM 0 HG2 GLU A 126 -14.229 -5.721 -9.147 1.00 0.74 H new ATOM 0 HG3 GLU A 126 -13.256 -5.258 -10.529 1.00 0.74 H new ATOM 2049 N LYS A 127 -13.631 -3.474 -6.129 1.00 0.76 N ATOM 2050 CA LYS A 127 -14.467 -3.559 -4.898 1.00 0.83 C ATOM 2051 C LYS A 127 -15.123 -2.202 -4.632 1.00 0.87 C ATOM 2052 O LYS A 127 -16.050 -2.092 -3.855 1.00 0.96 O ATOM 2053 CB LYS A 127 -13.583 -3.940 -3.707 1.00 0.71 C ATOM 2054 CG LYS A 127 -12.940 -5.304 -3.965 1.00 0.79 C ATOM 2055 CD LYS A 127 -12.311 -5.824 -2.671 1.00 0.76 C ATOM 2056 CE LYS A 127 -11.800 -7.250 -2.887 1.00 0.96 C ATOM 2057 NZ LYS A 127 -10.943 -7.290 -4.106 1.00 1.53 N ATOM 0 H LYS A 127 -12.623 -3.484 -5.972 1.00 0.76 H new ATOM 0 HA LYS A 127 -15.240 -4.316 -5.035 1.00 0.83 H new ATOM 0 HB2 LYS A 127 -12.811 -3.185 -3.557 1.00 0.71 H new ATOM 0 HB3 LYS A 127 -14.178 -3.973 -2.795 1.00 0.71 H new ATOM 0 HG2 LYS A 127 -13.689 -6.009 -4.327 1.00 0.79 H new ATOM 0 HG3 LYS A 127 -12.181 -5.219 -4.742 1.00 0.79 H new ATOM 0 HD2 LYS A 127 -11.490 -5.175 -2.367 1.00 0.76 H new ATOM 0 HD3 LYS A 127 -13.045 -5.808 -1.866 1.00 0.76 H new ATOM 0 HE2 LYS A 127 -11.231 -7.580 -2.018 1.00 0.96 H new ATOM 0 HE3 LYS A 127 -12.640 -7.936 -2.997 1.00 0.96 H new ATOM 0 HZ1 LYS A 127 -11.460 -7.756 -4.879 1.00 1.53 H new ATOM 0 HZ2 LYS A 127 -10.697 -6.320 -4.389 1.00 1.53 H new ATOM 0 HZ3 LYS A 127 -10.073 -7.822 -3.902 1.00 1.53 H new ATOM 2071 N TYR A 128 -14.649 -1.169 -5.274 1.00 0.84 N ATOM 2072 CA TYR A 128 -15.247 0.179 -5.058 1.00 0.91 C ATOM 2073 C TYR A 128 -16.712 0.164 -5.502 1.00 1.12 C ATOM 2074 O TYR A 128 -17.401 1.162 -5.431 1.00 1.25 O ATOM 2075 CB TYR A 128 -14.476 1.215 -5.878 1.00 0.91 C ATOM 2076 CG TYR A 128 -14.995 2.597 -5.560 1.00 1.00 C ATOM 2077 CD1 TYR A 128 -14.483 3.303 -4.465 1.00 0.79 C ATOM 2078 CD2 TYR A 128 -15.990 3.172 -6.361 1.00 1.33 C ATOM 2079 CE1 TYR A 128 -14.964 4.584 -4.171 1.00 0.89 C ATOM 2080 CE2 TYR A 128 -16.472 4.453 -6.067 1.00 1.43 C ATOM 2081 CZ TYR A 128 -15.959 5.160 -4.972 1.00 1.20 C ATOM 2082 OH TYR A 128 -16.434 6.422 -4.682 1.00 1.31 O ATOM 0 H TYR A 128 -13.875 -1.200 -5.938 1.00 0.84 H new ATOM 0 HA TYR A 128 -15.191 0.437 -4.001 1.00 0.91 H new ATOM 0 HB2 TYR A 128 -13.411 1.154 -5.652 1.00 0.91 H new ATOM 0 HB3 TYR A 128 -14.588 1.009 -6.942 1.00 0.91 H new ATOM 0 HD1 TYR A 128 -13.717 2.859 -3.847 1.00 0.79 H new ATOM 0 HD2 TYR A 128 -16.385 2.627 -7.205 1.00 1.33 H new ATOM 0 HE1 TYR A 128 -14.568 5.129 -3.327 1.00 0.89 H new ATOM 0 HE2 TYR A 128 -17.239 4.896 -6.684 1.00 1.43 H new ATOM 0 HH TYR A 128 -17.120 6.672 -5.336 1.00 1.31 H new