USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=27 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 -108:sc= 0.347 USER MOD Set 1.2: A 115 ASN : amide:sc= 0.566 K(o=0.91,f=-0.18) USER MOD Set 2.1: A 32 THR OG1 : rot 141:sc= 0.58 USER MOD Set 2.2: A 110 GLN : amide:sc= 0.481 K(o=1.1,f=-1.1) USER MOD Single : A 10 THR OG1 : rot 84:sc= 0.0959 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 19 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.16) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -68:sc= 0.776 USER MOD Single : A 24 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.21) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.07 USER MOD Single : A 29 THR OG1 : rot -87:sc= 0.24 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 37:sc= 0.378 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.803 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 62:sc= 0.184 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0037 USER MOD Single : A 58 GLN : amide:sc= -4.45! C(o=-4.4!,f=-7.3!) USER MOD Single : A 60 TYR OH : rot 128:sc= 1.18 USER MOD Single : A 61 SER OG : rot 96:sc= 0.919 USER MOD Single : A 62 HIS : no HD1:sc= -0.459 K(o=-0.46,f=-2.3!) USER MOD Single : A 63 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00738 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0746 USER MOD Single : A 75 GLN : amide:sc= -3.25! C(o=-3.2!,f=-4.1!) USER MOD Single : A 76 GLN : amide:sc= -6.21! C(o=-6.2!,f=-8.8!) USER MOD Single : A 78 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.031) USER MOD Single : A 80 HIS : no HD1:sc= -1.95 K(o=-2,f=-2.7!) USER MOD Single : A 81 LYS NZ :NH3+ -169:sc= -1.39 (180deg=-1.52) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 88 LYS NZ :NH3+ -146:sc= -0.172 (180deg=-0.774) USER MOD Single : A 93 ASN : amide:sc= -1.83 K(o=-1.8,f=-7.8!) USER MOD Single : A 101 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.013) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -165:sc= -0.032 (180deg=-0.241) USER MOD Single : A 122 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 124 MET CE :methyl -125:sc= -0.711 (180deg=-0.936) USER MOD Single : A 127 LYS NZ :NH3+ -142:sc= -4.94! (180deg=-7.22!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.737 6.403 0.846 1.00 0.63 N ATOM 103 CA ASP A 8 -16.662 6.602 1.858 1.00 0.51 C ATOM 104 C ASP A 8 -15.630 7.594 1.317 1.00 0.41 C ATOM 105 O ASP A 8 -15.205 7.507 0.182 1.00 0.47 O ATOM 106 CB ASP A 8 -15.979 5.263 2.146 1.00 0.46 C ATOM 107 CG ASP A 8 -15.242 5.344 3.484 1.00 0.44 C ATOM 108 OD1 ASP A 8 -14.828 6.434 3.845 1.00 1.53 O ATOM 109 OD2 ASP A 8 -15.103 4.315 4.124 1.00 0.78 O ATOM 0 HA ASP A 8 -17.096 6.994 2.778 1.00 0.51 H new ATOM 0 HB2 ASP A 8 -16.719 4.464 2.174 1.00 0.46 H new ATOM 0 HB3 ASP A 8 -15.279 5.021 1.347 1.00 0.46 H new ATOM 114 N ILE A 9 -15.223 8.538 2.121 1.00 0.30 N ATOM 115 CA ILE A 9 -14.219 9.535 1.652 1.00 0.27 C ATOM 116 C ILE A 9 -12.817 8.931 1.751 1.00 0.17 C ATOM 117 O ILE A 9 -11.901 9.348 1.070 1.00 0.18 O ATOM 118 CB ILE A 9 -14.299 10.788 2.525 1.00 0.25 C ATOM 119 CG1 ILE A 9 -13.132 11.719 2.187 1.00 0.55 C ATOM 120 CG2 ILE A 9 -14.220 10.389 4.000 1.00 0.20 C ATOM 121 CD1 ILE A 9 -13.497 13.155 2.568 1.00 0.70 C ATOM 0 H ILE A 9 -15.542 8.662 3.082 1.00 0.30 H new ATOM 0 HA ILE A 9 -14.427 9.801 0.616 1.00 0.27 H new ATOM 0 HB ILE A 9 -15.242 11.302 2.337 1.00 0.25 H new ATOM 0 HG12 ILE A 9 -12.236 11.406 2.723 1.00 0.55 H new ATOM 0 HG13 ILE A 9 -12.903 11.661 1.123 1.00 0.55 H new ATOM 0 HG21 ILE A 9 -14.277 11.282 4.622 1.00 0.20 H new ATOM 0 HG22 ILE A 9 -15.049 9.725 4.242 1.00 0.20 H new ATOM 0 HG23 ILE A 9 -13.277 9.876 4.188 1.00 0.20 H new ATOM 0 HD11 ILE A 9 -12.666 13.818 2.327 1.00 0.70 H new ATOM 0 HD12 ILE A 9 -14.382 13.465 2.012 1.00 0.70 H new ATOM 0 HD13 ILE A 9 -13.704 13.206 3.637 1.00 0.70 H new ATOM 133 N THR A 10 -12.641 7.953 2.596 1.00 0.12 N ATOM 134 CA THR A 10 -11.298 7.324 2.738 1.00 0.10 C ATOM 135 C THR A 10 -10.860 6.746 1.391 1.00 0.17 C ATOM 136 O THR A 10 -9.808 7.069 0.878 1.00 0.23 O ATOM 137 CB THR A 10 -11.366 6.202 3.778 1.00 0.27 C ATOM 138 OG1 THR A 10 -11.917 6.710 4.985 1.00 0.14 O ATOM 139 CG2 THR A 10 -9.960 5.662 4.043 1.00 0.64 C ATOM 0 H THR A 10 -13.369 7.562 3.194 1.00 0.12 H new ATOM 0 HA THR A 10 -10.578 8.075 3.062 1.00 0.10 H new ATOM 0 HB THR A 10 -11.996 5.396 3.402 1.00 0.27 H new ATOM 0 HG1 THR A 10 -12.895 6.696 4.929 1.00 0.14 H new ATOM 0 HG21 THR A 10 -10.010 4.864 4.783 1.00 0.64 H new ATOM 0 HG22 THR A 10 -9.540 5.271 3.116 1.00 0.64 H new ATOM 0 HG23 THR A 10 -9.326 6.466 4.419 1.00 0.64 H new ATOM 147 N LEU A 11 -11.661 5.891 0.814 1.00 0.20 N ATOM 148 CA LEU A 11 -11.290 5.293 -0.499 1.00 0.29 C ATOM 149 C LEU A 11 -10.988 6.409 -1.501 1.00 0.30 C ATOM 150 O LEU A 11 -10.352 6.193 -2.514 1.00 0.37 O ATOM 151 CB LEU A 11 -12.452 4.443 -1.018 1.00 0.38 C ATOM 152 CG LEU A 11 -12.887 3.455 0.065 1.00 0.41 C ATOM 153 CD1 LEU A 11 -14.043 2.601 -0.456 1.00 0.52 C ATOM 154 CD2 LEU A 11 -11.709 2.548 0.430 1.00 0.33 C ATOM 0 H LEU A 11 -12.555 5.582 1.195 1.00 0.20 H new ATOM 0 HA LEU A 11 -10.407 4.666 -0.376 1.00 0.29 H new ATOM 0 HB2 LEU A 11 -13.288 5.084 -1.297 1.00 0.38 H new ATOM 0 HB3 LEU A 11 -12.149 3.904 -1.916 1.00 0.38 H new ATOM 0 HG LEU A 11 -13.211 4.005 0.948 1.00 0.41 H new ATOM 0 HD11 LEU A 11 -14.352 1.897 0.317 1.00 0.52 H new ATOM 0 HD12 LEU A 11 -14.883 3.245 -0.717 1.00 0.52 H new ATOM 0 HD13 LEU A 11 -13.719 2.051 -1.340 1.00 0.52 H new ATOM 0 HD21 LEU A 11 -12.018 1.843 1.202 1.00 0.33 H new ATOM 0 HD22 LEU A 11 -11.385 1.999 -0.454 1.00 0.33 H new ATOM 0 HD23 LEU A 11 -10.884 3.155 0.802 1.00 0.33 H new ATOM 166 N GLN A 12 -11.436 7.603 -1.226 1.00 0.26 N ATOM 167 CA GLN A 12 -11.174 8.733 -2.163 1.00 0.34 C ATOM 168 C GLN A 12 -9.748 9.247 -1.955 1.00 0.30 C ATOM 169 O GLN A 12 -8.908 9.144 -2.827 1.00 0.35 O ATOM 170 CB GLN A 12 -12.169 9.864 -1.891 1.00 0.38 C ATOM 171 CG GLN A 12 -12.403 10.659 -3.177 1.00 0.31 C ATOM 172 CD GLN A 12 -13.185 11.932 -2.854 1.00 0.69 C ATOM 173 OE1 GLN A 12 -14.399 11.916 -2.797 1.00 1.20 O ATOM 174 NE2 GLN A 12 -12.537 13.045 -2.640 1.00 1.60 N ATOM 0 H GLN A 12 -11.972 7.846 -0.393 1.00 0.26 H new ATOM 0 HA GLN A 12 -11.290 8.387 -3.190 1.00 0.34 H new ATOM 0 HB2 GLN A 12 -13.111 9.454 -1.528 1.00 0.38 H new ATOM 0 HB3 GLN A 12 -11.785 10.520 -1.110 1.00 0.38 H new ATOM 0 HG2 GLN A 12 -11.449 10.913 -3.639 1.00 0.31 H new ATOM 0 HG3 GLN A 12 -12.954 10.053 -3.896 1.00 0.31 H new ATOM 0 HE21 GLN A 12 -11.518 13.059 -2.688 1.00 1.60 H new ATOM 0 HE22 GLN A 12 -13.050 13.900 -2.425 1.00 1.60 H new ATOM 183 N GLU A 13 -9.468 9.799 -0.806 1.00 0.24 N ATOM 184 CA GLU A 13 -8.097 10.320 -0.544 1.00 0.24 C ATOM 185 C GLU A 13 -7.077 9.200 -0.761 1.00 0.16 C ATOM 186 O GLU A 13 -5.910 9.446 -0.995 1.00 0.21 O ATOM 187 CB GLU A 13 -8.008 10.821 0.899 1.00 0.25 C ATOM 188 CG GLU A 13 -7.741 9.639 1.834 1.00 0.30 C ATOM 189 CD GLU A 13 -8.153 10.012 3.259 1.00 0.95 C ATOM 190 OE1 GLU A 13 -9.281 10.441 3.435 1.00 2.00 O ATOM 191 OE2 GLU A 13 -7.333 9.862 4.150 1.00 1.41 O ATOM 0 H GLU A 13 -10.129 9.912 -0.038 1.00 0.24 H new ATOM 0 HA GLU A 13 -7.884 11.143 -1.226 1.00 0.24 H new ATOM 0 HB2 GLU A 13 -7.210 11.558 0.991 1.00 0.25 H new ATOM 0 HB3 GLU A 13 -8.936 11.319 1.180 1.00 0.25 H new ATOM 0 HG2 GLU A 13 -8.299 8.764 1.500 1.00 0.30 H new ATOM 0 HG3 GLU A 13 -6.684 9.372 1.808 1.00 0.30 H new ATOM 198 N ILE A 14 -7.506 7.970 -0.683 1.00 0.10 N ATOM 199 CA ILE A 14 -6.561 6.837 -0.884 1.00 0.13 C ATOM 200 C ILE A 14 -6.245 6.694 -2.375 1.00 0.18 C ATOM 201 O ILE A 14 -5.102 6.572 -2.767 1.00 0.15 O ATOM 202 CB ILE A 14 -7.199 5.544 -0.372 1.00 0.17 C ATOM 203 CG1 ILE A 14 -7.078 5.485 1.151 1.00 0.17 C ATOM 204 CG2 ILE A 14 -6.480 4.341 -0.987 1.00 0.26 C ATOM 205 CD1 ILE A 14 -7.979 4.374 1.694 1.00 0.20 C ATOM 0 H ILE A 14 -8.471 7.701 -0.489 1.00 0.10 H new ATOM 0 HA ILE A 14 -5.640 7.031 -0.334 1.00 0.13 H new ATOM 0 HB ILE A 14 -8.251 5.522 -0.655 1.00 0.17 H new ATOM 0 HG12 ILE A 14 -6.043 5.300 1.437 1.00 0.17 H new ATOM 0 HG13 ILE A 14 -7.362 6.443 1.586 1.00 0.17 H new ATOM 0 HG21 ILE A 14 -6.935 3.420 -0.622 1.00 0.26 H new ATOM 0 HG22 ILE A 14 -6.565 4.382 -2.073 1.00 0.26 H new ATOM 0 HG23 ILE A 14 -5.427 4.363 -0.705 1.00 0.26 H new ATOM 0 HD11 ILE A 14 -7.892 4.333 2.780 1.00 0.20 H new ATOM 0 HD12 ILE A 14 -9.014 4.579 1.421 1.00 0.20 H new ATOM 0 HD13 ILE A 14 -7.674 3.418 1.269 1.00 0.20 H new ATOM 217 N ILE A 15 -7.249 6.708 -3.208 1.00 0.41 N ATOM 218 CA ILE A 15 -7.005 6.573 -4.672 1.00 0.49 C ATOM 219 C ILE A 15 -6.123 7.727 -5.152 1.00 0.48 C ATOM 220 O ILE A 15 -5.129 7.525 -5.819 1.00 0.50 O ATOM 221 CB ILE A 15 -8.340 6.609 -5.417 1.00 0.55 C ATOM 222 CG1 ILE A 15 -9.087 5.292 -5.188 1.00 0.56 C ATOM 223 CG2 ILE A 15 -8.086 6.795 -6.913 1.00 0.63 C ATOM 224 CD1 ILE A 15 -10.547 5.451 -5.618 1.00 0.60 C ATOM 0 H ILE A 15 -8.228 6.807 -2.938 1.00 0.41 H new ATOM 0 HA ILE A 15 -6.503 5.626 -4.870 1.00 0.49 H new ATOM 0 HB ILE A 15 -8.941 7.439 -5.045 1.00 0.55 H new ATOM 0 HG12 ILE A 15 -8.615 4.490 -5.756 1.00 0.56 H new ATOM 0 HG13 ILE A 15 -9.035 5.011 -4.136 1.00 0.56 H new ATOM 0 HG21 ILE A 15 -9.038 6.821 -7.443 1.00 0.63 H new ATOM 0 HG22 ILE A 15 -7.554 7.732 -7.078 1.00 0.63 H new ATOM 0 HG23 ILE A 15 -7.485 5.966 -7.286 1.00 0.63 H new ATOM 0 HD11 ILE A 15 -11.078 4.513 -5.455 1.00 0.60 H new ATOM 0 HD12 ILE A 15 -11.015 6.241 -5.030 1.00 0.60 H new ATOM 0 HD13 ILE A 15 -10.588 5.712 -6.675 1.00 0.60 H new ATOM 236 N LYS A 16 -6.478 8.937 -4.816 1.00 0.47 N ATOM 237 CA LYS A 16 -5.658 10.102 -5.254 1.00 0.47 C ATOM 238 C LYS A 16 -4.218 9.924 -4.769 1.00 0.44 C ATOM 239 O LYS A 16 -3.274 10.177 -5.491 1.00 0.42 O ATOM 240 CB LYS A 16 -6.241 11.386 -4.661 1.00 0.45 C ATOM 241 CG LYS A 16 -7.498 11.783 -5.437 1.00 0.61 C ATOM 242 CD LYS A 16 -8.538 12.351 -4.468 1.00 1.25 C ATOM 243 CE LYS A 16 -7.909 13.478 -3.647 1.00 1.23 C ATOM 244 NZ LYS A 16 -8.912 14.560 -3.438 1.00 1.74 N ATOM 0 H LYS A 16 -7.299 9.169 -4.258 1.00 0.47 H new ATOM 0 HA LYS A 16 -5.669 10.166 -6.342 1.00 0.47 H new ATOM 0 HB2 LYS A 16 -6.483 11.236 -3.609 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -5.504 12.188 -4.707 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -7.250 12.524 -6.197 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -7.906 10.917 -5.958 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -9.399 12.727 -5.021 1.00 1.25 H new ATOM 0 HD3 LYS A 16 -8.902 11.565 -3.807 1.00 1.25 H new ATOM 0 HE2 LYS A 16 -7.566 13.095 -2.686 1.00 1.23 H new ATOM 0 HE3 LYS A 16 -7.034 13.873 -4.163 1.00 1.23 H new ATOM 0 HZ1 LYS A 16 -8.485 15.326 -2.880 1.00 1.74 H new ATOM 0 HZ2 LYS A 16 -9.218 14.932 -4.360 1.00 1.74 H new ATOM 0 HZ3 LYS A 16 -9.734 14.178 -2.929 1.00 1.74 H new ATOM 258 N THR A 17 -4.042 9.489 -3.551 1.00 0.42 N ATOM 259 CA THR A 17 -2.662 9.295 -3.022 1.00 0.39 C ATOM 260 C THR A 17 -1.935 8.245 -3.865 1.00 0.36 C ATOM 261 O THR A 17 -0.784 8.408 -4.219 1.00 0.30 O ATOM 262 CB THR A 17 -2.736 8.821 -1.569 1.00 0.42 C ATOM 263 OG1 THR A 17 -3.212 9.880 -0.750 1.00 0.69 O ATOM 264 CG2 THR A 17 -1.345 8.394 -1.097 1.00 0.15 C ATOM 0 H THR A 17 -4.793 9.260 -2.900 1.00 0.42 H new ATOM 0 HA THR A 17 -2.118 10.238 -3.070 1.00 0.39 H new ATOM 0 HB THR A 17 -3.417 7.973 -1.498 1.00 0.42 H new ATOM 0 HG1 THR A 17 -4.192 9.865 -0.733 1.00 0.69 H new ATOM 0 HG21 THR A 17 -1.400 8.057 -0.062 1.00 0.15 H new ATOM 0 HG22 THR A 17 -0.981 7.581 -1.725 1.00 0.15 H new ATOM 0 HG23 THR A 17 -0.661 9.240 -1.167 1.00 0.15 H new ATOM 272 N LEU A 18 -2.598 7.168 -4.190 1.00 0.41 N ATOM 273 CA LEU A 18 -1.943 6.110 -5.009 1.00 0.39 C ATOM 274 C LEU A 18 -1.375 6.733 -6.287 1.00 0.34 C ATOM 275 O LEU A 18 -0.294 6.395 -6.725 1.00 0.26 O ATOM 276 CB LEU A 18 -2.976 5.039 -5.378 1.00 0.48 C ATOM 277 CG LEU A 18 -3.087 4.012 -4.245 1.00 0.23 C ATOM 278 CD1 LEU A 18 -4.289 3.103 -4.501 1.00 0.29 C ATOM 279 CD2 LEU A 18 -1.813 3.157 -4.173 1.00 0.84 C ATOM 0 H LEU A 18 -3.564 6.976 -3.924 1.00 0.41 H new ATOM 0 HA LEU A 18 -1.135 5.654 -4.437 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -3.946 5.503 -5.557 1.00 0.48 H new ATOM 0 HB3 LEU A 18 -2.684 4.543 -6.304 1.00 0.48 H new ATOM 0 HG LEU A 18 -3.214 4.541 -3.300 1.00 0.23 H new ATOM 0 HD11 LEU A 18 -4.370 2.372 -3.697 1.00 0.29 H new ATOM 0 HD12 LEU A 18 -5.198 3.704 -4.538 1.00 0.29 H new ATOM 0 HD13 LEU A 18 -4.157 2.585 -5.451 1.00 0.29 H new ATOM 0 HD21 LEU A 18 -1.906 2.432 -3.364 1.00 0.84 H new ATOM 0 HD22 LEU A 18 -1.674 2.631 -5.117 1.00 0.84 H new ATOM 0 HD23 LEU A 18 -0.953 3.800 -3.986 1.00 0.84 H new ATOM 291 N ASN A 19 -2.097 7.639 -6.888 1.00 0.42 N ATOM 292 CA ASN A 19 -1.598 8.281 -8.135 1.00 0.41 C ATOM 293 C ASN A 19 -0.302 9.039 -7.838 1.00 0.35 C ATOM 294 O ASN A 19 0.704 8.845 -8.490 1.00 0.30 O ATOM 295 CB ASN A 19 -2.651 9.259 -8.661 1.00 0.49 C ATOM 296 CG ASN A 19 -3.861 8.480 -9.177 1.00 0.54 C ATOM 297 OD1 ASN A 19 -4.587 7.883 -8.408 1.00 1.08 O ATOM 298 ND2 ASN A 19 -4.110 8.457 -10.458 1.00 1.33 N ATOM 0 H ASN A 19 -3.010 7.962 -6.569 1.00 0.42 H new ATOM 0 HA ASN A 19 -1.406 7.514 -8.885 1.00 0.41 H new ATOM 0 HB2 ASN A 19 -2.956 9.942 -7.868 1.00 0.49 H new ATOM 0 HB3 ASN A 19 -2.229 9.868 -9.461 1.00 0.49 H new ATOM 0 HD21 ASN A 19 -4.914 7.938 -10.812 1.00 1.33 H new ATOM 0 HD22 ASN A 19 -3.501 8.958 -11.105 1.00 1.33 H new ATOM 305 N SER A 20 -0.320 9.899 -6.859 1.00 0.46 N ATOM 306 CA SER A 20 0.911 10.669 -6.520 1.00 0.41 C ATOM 307 C SER A 20 2.100 9.711 -6.412 1.00 0.34 C ATOM 308 O SER A 20 3.176 9.983 -6.906 1.00 0.27 O ATOM 309 CB SER A 20 0.713 11.387 -5.185 1.00 0.42 C ATOM 310 OG SER A 20 -0.176 12.481 -5.369 1.00 0.65 O ATOM 0 H SER A 20 -1.133 10.103 -6.278 1.00 0.46 H new ATOM 0 HA SER A 20 1.106 11.403 -7.302 1.00 0.41 H new ATOM 0 HB2 SER A 20 0.310 10.697 -4.444 1.00 0.42 H new ATOM 0 HB3 SER A 20 1.671 11.741 -4.804 1.00 0.42 H new ATOM 0 HG SER A 20 -0.307 12.943 -4.515 1.00 0.65 H new ATOM 316 N LEU A 21 1.914 8.592 -5.767 1.00 0.38 N ATOM 317 CA LEU A 21 3.034 7.618 -5.625 1.00 0.35 C ATOM 318 C LEU A 21 3.570 7.249 -7.010 1.00 0.42 C ATOM 319 O LEU A 21 4.757 7.316 -7.264 1.00 0.52 O ATOM 320 CB LEU A 21 2.525 6.358 -4.922 1.00 0.35 C ATOM 321 CG LEU A 21 2.790 6.468 -3.418 1.00 0.10 C ATOM 322 CD1 LEU A 21 1.871 5.502 -2.668 1.00 0.38 C ATOM 323 CD2 LEU A 21 4.250 6.109 -3.125 1.00 0.42 C ATOM 0 H LEU A 21 1.035 8.310 -5.332 1.00 0.38 H new ATOM 0 HA LEU A 21 3.834 8.066 -5.035 1.00 0.35 H new ATOM 0 HB2 LEU A 21 1.458 6.233 -5.105 1.00 0.35 H new ATOM 0 HB3 LEU A 21 3.024 5.477 -5.326 1.00 0.35 H new ATOM 0 HG LEU A 21 2.595 7.489 -3.090 1.00 0.10 H new ATOM 0 HD11 LEU A 21 2.058 5.579 -1.597 1.00 0.38 H new ATOM 0 HD12 LEU A 21 0.831 5.756 -2.874 1.00 0.38 H new ATOM 0 HD13 LEU A 21 2.068 4.482 -2.998 1.00 0.38 H new ATOM 0 HD21 LEU A 21 4.436 6.188 -2.054 1.00 0.42 H new ATOM 0 HD22 LEU A 21 4.447 5.088 -3.453 1.00 0.42 H new ATOM 0 HD23 LEU A 21 4.908 6.795 -3.659 1.00 0.42 H new ATOM 335 N THR A 22 2.707 6.858 -7.906 1.00 0.40 N ATOM 336 CA THR A 22 3.170 6.482 -9.272 1.00 0.52 C ATOM 337 C THR A 22 4.072 7.586 -9.829 1.00 0.62 C ATOM 338 O THR A 22 5.070 7.320 -10.469 1.00 0.72 O ATOM 339 CB THR A 22 1.958 6.301 -10.190 1.00 0.61 C ATOM 340 OG1 THR A 22 1.320 7.556 -10.381 1.00 0.77 O ATOM 341 CG2 THR A 22 0.976 5.318 -9.553 1.00 0.65 C ATOM 0 H THR A 22 1.702 6.782 -7.752 1.00 0.40 H new ATOM 0 HA THR A 22 3.730 5.548 -9.221 1.00 0.52 H new ATOM 0 HB THR A 22 2.286 5.910 -11.153 1.00 0.61 H new ATOM 0 HG1 THR A 22 0.918 7.850 -9.537 1.00 0.77 H new ATOM 0 HG21 THR A 22 0.114 5.190 -10.207 1.00 0.65 H new ATOM 0 HG22 THR A 22 1.467 4.356 -9.407 1.00 0.65 H new ATOM 0 HG23 THR A 22 0.646 5.706 -8.589 1.00 0.65 H new ATOM 349 N GLU A 23 3.729 8.822 -9.594 1.00 0.62 N ATOM 350 CA GLU A 23 4.567 9.940 -10.112 1.00 0.74 C ATOM 351 C GLU A 23 5.990 9.807 -9.565 1.00 0.73 C ATOM 352 O GLU A 23 6.946 10.215 -10.192 1.00 0.86 O ATOM 353 CB GLU A 23 3.971 11.276 -9.664 1.00 0.77 C ATOM 354 CG GLU A 23 2.491 11.330 -10.049 1.00 0.73 C ATOM 355 CD GLU A 23 1.987 12.770 -9.940 1.00 1.29 C ATOM 356 OE1 GLU A 23 2.507 13.614 -10.652 1.00 1.40 O ATOM 357 OE2 GLU A 23 1.090 13.004 -9.147 1.00 2.30 O ATOM 0 H GLU A 23 2.904 9.107 -9.065 1.00 0.62 H new ATOM 0 HA GLU A 23 4.591 9.901 -11.201 1.00 0.74 H new ATOM 0 HB2 GLU A 23 4.082 11.392 -8.586 1.00 0.77 H new ATOM 0 HB3 GLU A 23 4.509 12.101 -10.130 1.00 0.77 H new ATOM 0 HG2 GLU A 23 2.355 10.962 -11.066 1.00 0.73 H new ATOM 0 HG3 GLU A 23 1.910 10.680 -9.395 1.00 0.73 H new ATOM 364 N GLN A 24 6.136 9.237 -8.400 1.00 0.59 N ATOM 365 CA GLN A 24 7.498 9.078 -7.814 1.00 0.62 C ATOM 366 C GLN A 24 8.080 7.729 -8.242 1.00 0.53 C ATOM 367 O GLN A 24 7.394 6.727 -8.265 1.00 0.47 O ATOM 368 CB GLN A 24 7.407 9.134 -6.288 1.00 0.56 C ATOM 369 CG GLN A 24 6.826 10.483 -5.861 1.00 0.85 C ATOM 370 CD GLN A 24 7.922 11.549 -5.909 1.00 0.60 C ATOM 371 OE1 GLN A 24 8.439 11.952 -4.886 1.00 1.40 O ATOM 372 NE2 GLN A 24 8.298 12.028 -7.063 1.00 1.11 N ATOM 0 H GLN A 24 5.372 8.875 -7.829 1.00 0.59 H new ATOM 0 HA GLN A 24 8.143 9.882 -8.168 1.00 0.62 H new ATOM 0 HB2 GLN A 24 6.779 8.323 -5.920 1.00 0.56 H new ATOM 0 HB3 GLN A 24 8.395 8.996 -5.849 1.00 0.56 H new ATOM 0 HG2 GLN A 24 6.004 10.762 -6.520 1.00 0.85 H new ATOM 0 HG3 GLN A 24 6.417 10.412 -4.853 1.00 0.85 H new ATOM 0 HE21 GLN A 24 7.864 11.689 -7.922 1.00 1.11 H new ATOM 0 HE22 GLN A 24 9.026 12.741 -7.106 1.00 1.11 H new ATOM 381 N LYS A 25 9.342 7.697 -8.580 1.00 0.55 N ATOM 382 CA LYS A 25 9.971 6.414 -9.007 1.00 0.50 C ATOM 383 C LYS A 25 11.408 6.351 -8.484 1.00 0.50 C ATOM 384 O LYS A 25 12.192 7.258 -8.682 1.00 0.91 O ATOM 385 CB LYS A 25 9.986 6.331 -10.537 1.00 0.62 C ATOM 386 CG LYS A 25 8.634 6.792 -11.091 1.00 1.14 C ATOM 387 CD LYS A 25 8.630 6.666 -12.617 1.00 1.16 C ATOM 388 CE LYS A 25 9.174 7.955 -13.238 1.00 2.65 C ATOM 389 NZ LYS A 25 8.055 8.921 -13.434 1.00 3.20 N ATOM 0 H LYS A 25 9.964 8.505 -8.579 1.00 0.55 H new ATOM 0 HA LYS A 25 9.397 5.580 -8.603 1.00 0.50 H new ATOM 0 HB2 LYS A 25 10.786 6.954 -10.937 1.00 0.62 H new ATOM 0 HB3 LYS A 25 10.190 5.308 -10.854 1.00 0.62 H new ATOM 0 HG2 LYS A 25 7.831 6.190 -10.665 1.00 1.14 H new ATOM 0 HG3 LYS A 25 8.445 7.826 -10.802 1.00 1.14 H new ATOM 0 HD2 LYS A 25 9.240 5.816 -12.924 1.00 1.16 H new ATOM 0 HD3 LYS A 25 7.618 6.477 -12.974 1.00 1.16 H new ATOM 0 HE2 LYS A 25 9.936 8.390 -12.591 1.00 2.65 H new ATOM 0 HE3 LYS A 25 9.653 7.738 -14.193 1.00 2.65 H new ATOM 0 HZ1 LYS A 25 8.423 9.797 -13.856 1.00 3.20 H new ATOM 0 HZ2 LYS A 25 7.343 8.504 -14.067 1.00 3.20 H new ATOM 0 HZ3 LYS A 25 7.617 9.136 -12.515 1.00 3.20 H new ATOM 403 N THR A 26 11.758 5.283 -7.819 1.00 0.27 N ATOM 404 CA THR A 26 13.142 5.154 -7.282 1.00 0.30 C ATOM 405 C THR A 26 13.581 3.690 -7.367 1.00 0.27 C ATOM 406 O THR A 26 12.841 2.838 -7.818 1.00 0.27 O ATOM 407 CB THR A 26 13.170 5.612 -5.822 1.00 0.28 C ATOM 408 OG1 THR A 26 12.796 4.530 -4.981 1.00 0.35 O ATOM 409 CG2 THR A 26 12.193 6.772 -5.628 1.00 0.24 C ATOM 0 H THR A 26 11.143 4.493 -7.624 1.00 0.27 H new ATOM 0 HA THR A 26 13.820 5.775 -7.867 1.00 0.30 H new ATOM 0 HB THR A 26 14.176 5.942 -5.565 1.00 0.28 H new ATOM 0 HG1 THR A 26 12.358 4.878 -4.176 1.00 0.35 H new ATOM 0 HG21 THR A 26 12.215 7.096 -4.588 1.00 0.24 H new ATOM 0 HG22 THR A 26 12.481 7.602 -6.273 1.00 0.24 H new ATOM 0 HG23 THR A 26 11.185 6.446 -5.885 1.00 0.24 H new ATOM 417 N LEU A 27 14.776 3.388 -6.938 1.00 0.30 N ATOM 418 CA LEU A 27 15.250 1.977 -7.000 1.00 0.32 C ATOM 419 C LEU A 27 14.523 1.149 -5.938 1.00 0.26 C ATOM 420 O LEU A 27 14.510 -0.065 -5.983 1.00 0.31 O ATOM 421 CB LEU A 27 16.762 1.930 -6.754 1.00 0.41 C ATOM 422 CG LEU A 27 17.068 2.301 -5.300 1.00 0.38 C ATOM 423 CD1 LEU A 27 17.384 1.032 -4.504 1.00 0.48 C ATOM 424 CD2 LEU A 27 18.278 3.237 -5.264 1.00 0.25 C ATOM 0 H LEU A 27 15.442 4.055 -6.549 1.00 0.30 H new ATOM 0 HA LEU A 27 15.037 1.564 -7.986 1.00 0.32 H new ATOM 0 HB2 LEU A 27 17.143 0.932 -6.971 1.00 0.41 H new ATOM 0 HB3 LEU A 27 17.270 2.619 -7.428 1.00 0.41 H new ATOM 0 HG LEU A 27 16.204 2.799 -4.860 1.00 0.38 H new ATOM 0 HD11 LEU A 27 17.602 1.296 -3.469 1.00 0.48 H new ATOM 0 HD12 LEU A 27 16.526 0.360 -4.534 1.00 0.48 H new ATOM 0 HD13 LEU A 27 18.250 0.534 -4.941 1.00 0.48 H new ATOM 0 HD21 LEU A 27 18.500 3.505 -4.231 1.00 0.25 H new ATOM 0 HD22 LEU A 27 19.140 2.734 -5.702 1.00 0.25 H new ATOM 0 HD23 LEU A 27 18.057 4.140 -5.833 1.00 0.25 H new ATOM 436 N CYS A 28 13.915 1.798 -4.982 1.00 0.26 N ATOM 437 CA CYS A 28 13.187 1.050 -3.919 1.00 0.27 C ATOM 438 C CYS A 28 12.114 0.170 -4.562 1.00 0.30 C ATOM 439 O CYS A 28 11.527 -0.679 -3.922 1.00 0.33 O ATOM 440 CB CYS A 28 12.525 2.043 -2.960 1.00 0.20 C ATOM 441 SG CYS A 28 12.912 1.586 -1.250 1.00 0.38 S ATOM 0 H CYS A 28 13.891 2.814 -4.892 1.00 0.26 H new ATOM 0 HA CYS A 28 13.889 0.424 -3.367 1.00 0.27 H new ATOM 0 HB2 CYS A 28 12.878 3.053 -3.166 1.00 0.20 H new ATOM 0 HB3 CYS A 28 11.446 2.046 -3.111 1.00 0.20 H new ATOM 446 N THR A 29 11.853 0.369 -5.826 1.00 0.29 N ATOM 447 CA THR A 29 10.818 -0.455 -6.510 1.00 0.33 C ATOM 448 C THR A 29 11.412 -1.816 -6.881 1.00 0.40 C ATOM 449 O THR A 29 10.766 -2.838 -6.765 1.00 0.71 O ATOM 450 CB THR A 29 10.353 0.262 -7.781 1.00 0.30 C ATOM 451 OG1 THR A 29 11.419 0.298 -8.719 1.00 0.34 O ATOM 452 CG2 THR A 29 9.925 1.689 -7.436 1.00 0.26 C ATOM 0 H THR A 29 12.312 1.066 -6.413 1.00 0.29 H new ATOM 0 HA THR A 29 9.969 -0.599 -5.842 1.00 0.33 H new ATOM 0 HB THR A 29 9.507 -0.274 -8.213 1.00 0.30 H new ATOM 0 HG1 THR A 29 11.978 1.085 -8.549 1.00 0.34 H new ATOM 0 HG21 THR A 29 9.594 2.199 -8.341 1.00 0.26 H new ATOM 0 HG22 THR A 29 9.107 1.660 -6.717 1.00 0.26 H new ATOM 0 HG23 THR A 29 10.769 2.228 -7.004 1.00 0.26 H new ATOM 460 N GLU A 30 12.639 -1.837 -7.324 1.00 0.11 N ATOM 461 CA GLU A 30 13.273 -3.132 -7.700 1.00 0.16 C ATOM 462 C GLU A 30 13.131 -4.121 -6.540 1.00 0.19 C ATOM 463 O GLU A 30 13.418 -5.294 -6.674 1.00 0.24 O ATOM 464 CB GLU A 30 14.756 -2.908 -8.000 1.00 0.19 C ATOM 465 CG GLU A 30 14.911 -1.719 -8.949 1.00 0.85 C ATOM 466 CD GLU A 30 15.964 -2.045 -10.010 1.00 0.81 C ATOM 467 OE1 GLU A 30 17.009 -2.557 -9.640 1.00 1.61 O ATOM 468 OE2 GLU A 30 15.708 -1.779 -11.172 1.00 1.19 O ATOM 0 H GLU A 30 13.230 -1.014 -7.442 1.00 0.11 H new ATOM 0 HA GLU A 30 12.782 -3.534 -8.586 1.00 0.16 H new ATOM 0 HB2 GLU A 30 15.301 -2.722 -7.075 1.00 0.19 H new ATOM 0 HB3 GLU A 30 15.186 -3.803 -8.449 1.00 0.19 H new ATOM 0 HG2 GLU A 30 13.957 -1.494 -9.426 1.00 0.85 H new ATOM 0 HG3 GLU A 30 15.205 -0.831 -8.390 1.00 0.85 H new ATOM 475 N LEU A 31 12.690 -3.657 -5.404 1.00 0.21 N ATOM 476 CA LEU A 31 12.530 -4.569 -4.236 1.00 0.26 C ATOM 477 C LEU A 31 11.287 -5.439 -4.436 1.00 0.27 C ATOM 478 O LEU A 31 10.190 -4.942 -4.597 1.00 0.70 O ATOM 479 CB LEU A 31 12.374 -3.741 -2.960 1.00 0.27 C ATOM 480 CG LEU A 31 13.504 -2.714 -2.875 1.00 0.24 C ATOM 481 CD1 LEU A 31 13.345 -1.882 -1.602 1.00 0.28 C ATOM 482 CD2 LEU A 31 14.851 -3.439 -2.845 1.00 0.34 C ATOM 0 H LEU A 31 12.433 -2.685 -5.233 1.00 0.21 H new ATOM 0 HA LEU A 31 13.410 -5.207 -4.149 1.00 0.26 H new ATOM 0 HB2 LEU A 31 11.408 -3.235 -2.958 1.00 0.27 H new ATOM 0 HB3 LEU A 31 12.394 -4.393 -2.086 1.00 0.27 H new ATOM 0 HG LEU A 31 13.463 -2.058 -3.744 1.00 0.24 H new ATOM 0 HD11 LEU A 31 14.151 -1.150 -1.542 1.00 0.28 H new ATOM 0 HD12 LEU A 31 12.386 -1.364 -1.623 1.00 0.28 H new ATOM 0 HD13 LEU A 31 13.385 -2.537 -0.732 1.00 0.28 H new ATOM 0 HD21 LEU A 31 15.657 -2.707 -2.784 1.00 0.34 H new ATOM 0 HD22 LEU A 31 14.891 -4.096 -1.976 1.00 0.34 H new ATOM 0 HD23 LEU A 31 14.966 -4.031 -3.753 1.00 0.34 H new ATOM 494 N THR A 32 11.450 -6.734 -4.425 1.00 0.20 N ATOM 495 CA THR A 32 10.277 -7.633 -4.614 1.00 0.21 C ATOM 496 C THR A 32 9.533 -7.785 -3.285 1.00 0.22 C ATOM 497 O THR A 32 10.066 -8.290 -2.318 1.00 0.26 O ATOM 498 CB THR A 32 10.758 -9.006 -5.090 1.00 0.25 C ATOM 499 OG1 THR A 32 11.946 -9.356 -4.394 1.00 0.55 O ATOM 500 CG2 THR A 32 11.039 -8.958 -6.592 1.00 0.41 C ATOM 0 H THR A 32 12.344 -7.208 -4.293 1.00 0.20 H new ATOM 0 HA THR A 32 9.607 -7.205 -5.359 1.00 0.21 H new ATOM 0 HB THR A 32 9.987 -9.751 -4.892 1.00 0.25 H new ATOM 0 HG1 THR A 32 11.932 -10.313 -4.184 1.00 0.55 H new ATOM 0 HG21 THR A 32 11.381 -9.936 -6.930 1.00 0.41 H new ATOM 0 HG22 THR A 32 10.127 -8.689 -7.124 1.00 0.41 H new ATOM 0 HG23 THR A 32 11.810 -8.214 -6.794 1.00 0.41 H new ATOM 508 N VAL A 33 8.303 -7.352 -3.231 1.00 0.20 N ATOM 509 CA VAL A 33 7.526 -7.472 -1.966 1.00 0.20 C ATOM 510 C VAL A 33 6.739 -8.785 -1.972 1.00 0.22 C ATOM 511 O VAL A 33 6.862 -9.588 -2.874 1.00 0.27 O ATOM 512 CB VAL A 33 6.554 -6.296 -1.851 1.00 0.17 C ATOM 513 CG1 VAL A 33 7.248 -5.012 -2.306 1.00 0.21 C ATOM 514 CG2 VAL A 33 5.333 -6.556 -2.737 1.00 0.07 C ATOM 0 H VAL A 33 7.803 -6.920 -4.008 1.00 0.20 H new ATOM 0 HA VAL A 33 8.210 -7.463 -1.118 1.00 0.20 H new ATOM 0 HB VAL A 33 6.236 -6.189 -0.814 1.00 0.17 H new ATOM 0 HG11 VAL A 33 6.555 -4.175 -2.224 1.00 0.21 H new ATOM 0 HG12 VAL A 33 8.118 -4.826 -1.676 1.00 0.21 H new ATOM 0 HG13 VAL A 33 7.567 -5.118 -3.343 1.00 0.21 H new ATOM 0 HG21 VAL A 33 4.640 -5.719 -2.656 1.00 0.07 H new ATOM 0 HG22 VAL A 33 5.652 -6.664 -3.774 1.00 0.07 H new ATOM 0 HG23 VAL A 33 4.837 -7.471 -2.413 1.00 0.07 H new ATOM 524 N THR A 34 5.933 -9.008 -0.969 1.00 0.26 N ATOM 525 CA THR A 34 5.141 -10.268 -0.917 1.00 0.31 C ATOM 526 C THR A 34 3.769 -10.037 -1.555 1.00 0.32 C ATOM 527 O THR A 34 3.172 -8.990 -1.401 1.00 0.56 O ATOM 528 CB THR A 34 4.959 -10.697 0.541 1.00 0.32 C ATOM 529 OG1 THR A 34 6.222 -11.042 1.091 1.00 0.32 O ATOM 530 CG2 THR A 34 4.024 -11.905 0.607 1.00 0.38 C ATOM 0 H THR A 34 5.790 -8.372 -0.185 1.00 0.26 H new ATOM 0 HA THR A 34 5.668 -11.050 -1.463 1.00 0.31 H new ATOM 0 HB THR A 34 4.526 -9.875 1.111 1.00 0.32 H new ATOM 0 HG1 THR A 34 6.108 -11.315 2.025 1.00 0.32 H new ATOM 0 HG21 THR A 34 3.895 -12.209 1.646 1.00 0.38 H new ATOM 0 HG22 THR A 34 3.055 -11.639 0.184 1.00 0.38 H new ATOM 0 HG23 THR A 34 4.454 -12.729 0.038 1.00 0.38 H new ATOM 538 N ASP A 35 3.266 -11.005 -2.270 1.00 0.21 N ATOM 539 CA ASP A 35 1.934 -10.840 -2.917 1.00 0.21 C ATOM 540 C ASP A 35 0.845 -11.382 -1.987 1.00 0.24 C ATOM 541 O ASP A 35 0.927 -12.493 -1.501 1.00 0.65 O ATOM 542 CB ASP A 35 1.908 -11.612 -4.237 1.00 0.26 C ATOM 543 CG ASP A 35 0.597 -11.326 -4.971 1.00 0.29 C ATOM 544 OD1 ASP A 35 0.013 -10.284 -4.717 1.00 1.20 O ATOM 545 OD2 ASP A 35 0.199 -12.151 -5.776 1.00 1.17 O ATOM 0 H ASP A 35 3.720 -11.904 -2.434 1.00 0.21 H new ATOM 0 HA ASP A 35 1.753 -9.783 -3.112 1.00 0.21 H new ATOM 0 HB2 ASP A 35 2.755 -11.320 -4.858 1.00 0.26 H new ATOM 0 HB3 ASP A 35 2.005 -12.681 -4.047 1.00 0.26 H new ATOM 550 N ILE A 36 -0.174 -10.608 -1.737 1.00 0.32 N ATOM 551 CA ILE A 36 -1.267 -11.080 -0.840 1.00 0.27 C ATOM 552 C ILE A 36 -2.366 -11.738 -1.676 1.00 0.16 C ATOM 553 O ILE A 36 -3.078 -12.605 -1.210 1.00 0.19 O ATOM 554 CB ILE A 36 -1.850 -9.890 -0.076 1.00 0.30 C ATOM 555 CG1 ILE A 36 -2.668 -9.022 -1.035 1.00 0.51 C ATOM 556 CG2 ILE A 36 -0.713 -9.058 0.520 1.00 0.57 C ATOM 557 CD1 ILE A 36 -2.890 -7.643 -0.412 1.00 0.43 C ATOM 0 H ILE A 36 -0.298 -9.669 -2.115 1.00 0.32 H new ATOM 0 HA ILE A 36 -0.867 -11.805 -0.132 1.00 0.27 H new ATOM 0 HB ILE A 36 -2.493 -10.253 0.726 1.00 0.30 H new ATOM 0 HG12 ILE A 36 -2.147 -8.923 -1.987 1.00 0.51 H new ATOM 0 HG13 ILE A 36 -3.627 -9.497 -1.244 1.00 0.51 H new ATOM 0 HG21 ILE A 36 -1.129 -8.210 1.064 1.00 0.57 H new ATOM 0 HG22 ILE A 36 -0.129 -9.676 1.202 1.00 0.57 H new ATOM 0 HG23 ILE A 36 -0.070 -8.694 -0.281 1.00 0.57 H new ATOM 0 HD11 ILE A 36 -3.473 -7.025 -1.095 1.00 0.43 H new ATOM 0 HD12 ILE A 36 -3.429 -7.751 0.529 1.00 0.43 H new ATOM 0 HD13 ILE A 36 -1.927 -7.169 -0.225 1.00 0.43 H new ATOM 569 N PHE A 37 -2.510 -11.333 -2.908 1.00 0.11 N ATOM 570 CA PHE A 37 -3.564 -11.936 -3.771 1.00 0.20 C ATOM 571 C PHE A 37 -3.125 -13.335 -4.210 1.00 0.38 C ATOM 572 O PHE A 37 -3.840 -14.030 -4.906 1.00 0.42 O ATOM 573 CB PHE A 37 -3.776 -11.058 -5.006 1.00 0.32 C ATOM 574 CG PHE A 37 -3.993 -9.626 -4.575 1.00 0.30 C ATOM 575 CD1 PHE A 37 -5.198 -9.253 -3.968 1.00 0.38 C ATOM 576 CD2 PHE A 37 -2.988 -8.673 -4.781 1.00 0.30 C ATOM 577 CE1 PHE A 37 -5.398 -7.926 -3.567 1.00 0.49 C ATOM 578 CE2 PHE A 37 -3.189 -7.347 -4.380 1.00 0.43 C ATOM 579 CZ PHE A 37 -4.394 -6.973 -3.774 1.00 0.53 C ATOM 0 H PHE A 37 -1.944 -10.611 -3.354 1.00 0.11 H new ATOM 0 HA PHE A 37 -4.496 -12.006 -3.210 1.00 0.20 H new ATOM 0 HB2 PHE A 37 -2.910 -11.123 -5.665 1.00 0.32 H new ATOM 0 HB3 PHE A 37 -4.636 -11.412 -5.574 1.00 0.32 H new ATOM 0 HD1 PHE A 37 -5.973 -9.988 -3.809 1.00 0.38 H new ATOM 0 HD2 PHE A 37 -2.058 -8.961 -5.249 1.00 0.30 H new ATOM 0 HE1 PHE A 37 -6.327 -7.638 -3.098 1.00 0.49 H new ATOM 0 HE2 PHE A 37 -2.414 -6.612 -4.538 1.00 0.43 H new ATOM 0 HZ PHE A 37 -4.549 -5.949 -3.466 1.00 0.53 H new ATOM 589 N ALA A 38 -1.956 -13.753 -3.810 1.00 0.55 N ATOM 590 CA ALA A 38 -1.474 -15.106 -4.205 1.00 0.74 C ATOM 591 C ALA A 38 -1.997 -16.145 -3.210 1.00 0.79 C ATOM 592 O ALA A 38 -1.444 -17.216 -3.069 1.00 1.13 O ATOM 593 CB ALA A 38 0.056 -15.123 -4.202 1.00 0.86 C ATOM 0 H ALA A 38 -1.314 -13.216 -3.227 1.00 0.55 H new ATOM 0 HA ALA A 38 -1.839 -15.344 -5.204 1.00 0.74 H new ATOM 0 HB1 ALA A 38 0.409 -16.113 -4.491 1.00 0.86 H new ATOM 0 HB2 ALA A 38 0.429 -14.383 -4.910 1.00 0.86 H new ATOM 0 HB3 ALA A 38 0.421 -14.885 -3.203 1.00 0.86 H new ATOM 599 N ALA A 39 -3.059 -15.834 -2.518 1.00 0.50 N ATOM 600 CA ALA A 39 -3.615 -16.803 -1.532 1.00 0.57 C ATOM 601 C ALA A 39 -5.034 -16.380 -1.145 1.00 0.40 C ATOM 602 O ALA A 39 -5.391 -16.360 0.017 1.00 0.58 O ATOM 603 CB ALA A 39 -2.731 -16.827 -0.284 1.00 0.82 C ATOM 0 H ALA A 39 -3.565 -14.952 -2.593 1.00 0.50 H new ATOM 0 HA ALA A 39 -3.641 -17.798 -1.977 1.00 0.57 H new ATOM 0 HB1 ALA A 39 -3.138 -17.536 0.437 1.00 0.82 H new ATOM 0 HB2 ALA A 39 -1.721 -17.130 -0.559 1.00 0.82 H new ATOM 0 HB3 ALA A 39 -2.703 -15.833 0.161 1.00 0.82 H new ATOM 609 N SER A 40 -5.845 -16.039 -2.108 1.00 0.33 N ATOM 610 CA SER A 40 -7.240 -15.617 -1.794 1.00 0.55 C ATOM 611 C SER A 40 -8.119 -16.855 -1.613 1.00 0.51 C ATOM 612 O SER A 40 -8.408 -17.566 -2.555 1.00 1.07 O ATOM 613 CB SER A 40 -7.785 -14.767 -2.942 1.00 1.20 C ATOM 614 OG SER A 40 -9.206 -14.767 -2.891 1.00 1.99 O ATOM 0 H SER A 40 -5.603 -16.034 -3.099 1.00 0.33 H new ATOM 0 HA SER A 40 -7.245 -15.032 -0.875 1.00 0.55 H new ATOM 0 HB2 SER A 40 -7.407 -13.748 -2.867 1.00 1.20 H new ATOM 0 HB3 SER A 40 -7.444 -15.164 -3.898 1.00 1.20 H new ATOM 0 HG SER A 40 -9.560 -14.222 -3.625 1.00 1.99 H new ATOM 620 N LYS A 41 -8.547 -17.120 -0.409 1.00 0.41 N ATOM 621 CA LYS A 41 -9.408 -18.313 -0.169 1.00 0.77 C ATOM 622 C LYS A 41 -10.384 -18.015 0.972 1.00 1.05 C ATOM 623 O LYS A 41 -11.498 -17.583 0.750 1.00 1.20 O ATOM 624 CB LYS A 41 -8.529 -19.507 0.210 1.00 0.82 C ATOM 625 CG LYS A 41 -8.282 -20.372 -1.027 1.00 0.73 C ATOM 626 CD LYS A 41 -7.326 -21.513 -0.670 1.00 0.75 C ATOM 627 CE LYS A 41 -7.052 -22.358 -1.915 1.00 1.61 C ATOM 628 NZ LYS A 41 -6.851 -23.779 -1.516 1.00 2.62 N ATOM 0 H LYS A 41 -8.338 -16.562 0.419 1.00 0.41 H new ATOM 0 HA LYS A 41 -9.968 -18.547 -1.075 1.00 0.77 H new ATOM 0 HB2 LYS A 41 -7.580 -19.159 0.618 1.00 0.82 H new ATOM 0 HB3 LYS A 41 -9.014 -20.097 0.988 1.00 0.82 H new ATOM 0 HG2 LYS A 41 -9.225 -20.776 -1.396 1.00 0.73 H new ATOM 0 HG3 LYS A 41 -7.859 -19.766 -1.829 1.00 0.73 H new ATOM 0 HD2 LYS A 41 -6.392 -21.110 -0.278 1.00 0.75 H new ATOM 0 HD3 LYS A 41 -7.760 -22.133 0.115 1.00 0.75 H new ATOM 0 HE2 LYS A 41 -7.886 -22.279 -2.612 1.00 1.61 H new ATOM 0 HE3 LYS A 41 -6.168 -21.986 -2.433 1.00 1.61 H new ATOM 0 HZ1 LYS A 41 -6.665 -24.354 -2.362 1.00 2.62 H new ATOM 0 HZ2 LYS A 41 -6.041 -23.846 -0.867 1.00 2.62 H new ATOM 0 HZ3 LYS A 41 -7.706 -24.130 -1.040 1.00 2.62 H new ATOM 642 N ASP A 42 -9.976 -18.243 2.190 1.00 1.19 N ATOM 643 CA ASP A 42 -10.881 -17.974 3.342 1.00 1.51 C ATOM 644 C ASP A 42 -10.679 -16.536 3.823 1.00 1.30 C ATOM 645 O ASP A 42 -11.203 -16.133 4.844 1.00 1.52 O ATOM 646 CB ASP A 42 -10.559 -18.943 4.481 1.00 1.84 C ATOM 647 CG ASP A 42 -11.847 -19.304 5.224 1.00 2.03 C ATOM 648 OD1 ASP A 42 -12.599 -18.397 5.542 1.00 2.51 O ATOM 649 OD2 ASP A 42 -12.060 -20.481 5.462 1.00 2.60 O ATOM 0 H ASP A 42 -9.055 -18.604 2.437 1.00 1.19 H new ATOM 0 HA ASP A 42 -11.917 -18.111 3.031 1.00 1.51 H new ATOM 0 HB2 ASP A 42 -10.091 -19.844 4.085 1.00 1.84 H new ATOM 0 HB3 ASP A 42 -9.845 -18.489 5.168 1.00 1.84 H new ATOM 654 N THR A 43 -9.925 -15.757 3.097 1.00 0.90 N ATOM 655 CA THR A 43 -9.690 -14.346 3.515 1.00 0.71 C ATOM 656 C THR A 43 -10.733 -13.440 2.856 1.00 0.60 C ATOM 657 O THR A 43 -10.844 -13.381 1.647 1.00 0.65 O ATOM 658 CB THR A 43 -8.289 -13.911 3.079 1.00 0.58 C ATOM 659 OG1 THR A 43 -8.104 -14.221 1.705 1.00 0.56 O ATOM 660 CG2 THR A 43 -7.242 -14.647 3.917 1.00 0.82 C ATOM 0 H THR A 43 -9.462 -16.037 2.232 1.00 0.90 H new ATOM 0 HA THR A 43 -9.773 -14.269 4.599 1.00 0.71 H new ATOM 0 HB THR A 43 -8.179 -12.837 3.226 1.00 0.58 H new ATOM 0 HG1 THR A 43 -8.942 -14.069 1.220 1.00 0.56 H new ATOM 0 HG21 THR A 43 -6.244 -14.337 3.607 1.00 0.82 H new ATOM 0 HG22 THR A 43 -7.385 -14.407 4.971 1.00 0.82 H new ATOM 0 HG23 THR A 43 -7.350 -15.722 3.772 1.00 0.82 H new ATOM 668 N THR A 44 -11.498 -12.732 3.641 1.00 0.52 N ATOM 669 CA THR A 44 -12.533 -11.832 3.059 1.00 0.50 C ATOM 670 C THR A 44 -11.909 -10.466 2.761 1.00 0.42 C ATOM 671 O THR A 44 -10.756 -10.221 3.057 1.00 0.52 O ATOM 672 CB THR A 44 -13.681 -11.661 4.057 1.00 0.52 C ATOM 673 OG1 THR A 44 -14.180 -10.333 3.978 1.00 1.30 O ATOM 674 CG2 THR A 44 -13.174 -11.935 5.473 1.00 1.97 C ATOM 0 H THR A 44 -11.451 -12.738 4.660 1.00 0.52 H new ATOM 0 HA THR A 44 -12.916 -12.267 2.136 1.00 0.50 H new ATOM 0 HB THR A 44 -14.479 -12.364 3.818 1.00 0.52 H new ATOM 0 HG1 THR A 44 -14.916 -10.222 4.615 1.00 1.30 H new ATOM 0 HG21 THR A 44 -13.992 -11.813 6.182 1.00 1.97 H new ATOM 0 HG22 THR A 44 -12.792 -12.954 5.532 1.00 1.97 H new ATOM 0 HG23 THR A 44 -12.376 -11.234 5.716 1.00 1.97 H new ATOM 682 N GLU A 45 -12.662 -9.574 2.178 1.00 0.45 N ATOM 683 CA GLU A 45 -12.111 -8.226 1.862 1.00 0.45 C ATOM 684 C GLU A 45 -11.384 -7.672 3.089 1.00 0.38 C ATOM 685 O GLU A 45 -10.385 -6.989 2.975 1.00 0.35 O ATOM 686 CB GLU A 45 -13.254 -7.284 1.478 1.00 0.59 C ATOM 687 CG GLU A 45 -14.365 -8.081 0.791 1.00 0.67 C ATOM 688 CD GLU A 45 -13.748 -9.054 -0.216 1.00 2.15 C ATOM 689 OE1 GLU A 45 -12.778 -8.680 -0.853 1.00 3.03 O ATOM 690 OE2 GLU A 45 -14.257 -10.156 -0.331 1.00 3.14 O ATOM 0 H GLU A 45 -13.634 -9.720 1.907 1.00 0.45 H new ATOM 0 HA GLU A 45 -11.411 -8.306 1.030 1.00 0.45 H new ATOM 0 HB2 GLU A 45 -13.644 -6.788 2.367 1.00 0.59 H new ATOM 0 HB3 GLU A 45 -12.887 -6.503 0.812 1.00 0.59 H new ATOM 0 HG2 GLU A 45 -14.946 -8.629 1.533 1.00 0.67 H new ATOM 0 HG3 GLU A 45 -15.053 -7.404 0.284 1.00 0.67 H new ATOM 697 N LYS A 46 -11.876 -7.961 4.262 1.00 0.39 N ATOM 698 CA LYS A 46 -11.213 -7.451 5.495 1.00 0.33 C ATOM 699 C LYS A 46 -9.782 -7.989 5.565 1.00 0.26 C ATOM 700 O LYS A 46 -8.831 -7.240 5.668 1.00 0.22 O ATOM 701 CB LYS A 46 -11.994 -7.918 6.725 1.00 0.32 C ATOM 702 CG LYS A 46 -13.400 -7.315 6.697 1.00 0.49 C ATOM 703 CD LYS A 46 -13.596 -6.419 7.921 1.00 0.59 C ATOM 704 CE LYS A 46 -15.032 -5.888 7.939 1.00 0.85 C ATOM 705 NZ LYS A 46 -15.026 -4.458 8.358 1.00 0.90 N ATOM 0 H LYS A 46 -12.709 -8.528 4.420 1.00 0.39 H new ATOM 0 HA LYS A 46 -11.191 -6.361 5.471 1.00 0.33 H new ATOM 0 HB2 LYS A 46 -12.054 -9.006 6.739 1.00 0.32 H new ATOM 0 HB3 LYS A 46 -11.475 -7.615 7.635 1.00 0.32 H new ATOM 0 HG2 LYS A 46 -13.541 -6.737 5.784 1.00 0.49 H new ATOM 0 HG3 LYS A 46 -14.147 -8.108 6.691 1.00 0.49 H new ATOM 0 HD2 LYS A 46 -13.393 -6.981 8.833 1.00 0.59 H new ATOM 0 HD3 LYS A 46 -12.890 -5.589 7.894 1.00 0.59 H new ATOM 0 HE2 LYS A 46 -15.480 -5.987 6.950 1.00 0.85 H new ATOM 0 HE3 LYS A 46 -15.641 -6.477 8.625 1.00 0.85 H new ATOM 0 HZ1 LYS A 46 -16.001 -4.096 8.371 1.00 0.90 H new ATOM 0 HZ2 LYS A 46 -14.614 -4.377 9.309 1.00 0.90 H new ATOM 0 HZ3 LYS A 46 -14.459 -3.902 7.687 1.00 0.90 H new ATOM 719 N GLU A 47 -9.622 -9.284 5.511 1.00 0.27 N ATOM 720 CA GLU A 47 -8.253 -9.868 5.575 1.00 0.24 C ATOM 721 C GLU A 47 -7.455 -9.437 4.344 1.00 0.28 C ATOM 722 O GLU A 47 -6.246 -9.551 4.303 1.00 0.39 O ATOM 723 CB GLU A 47 -8.351 -11.395 5.610 1.00 0.24 C ATOM 724 CG GLU A 47 -8.538 -11.862 7.055 1.00 0.49 C ATOM 725 CD GLU A 47 -9.301 -13.188 7.069 1.00 1.10 C ATOM 726 OE1 GLU A 47 -8.663 -14.217 6.922 1.00 2.21 O ATOM 727 OE2 GLU A 47 -10.510 -13.152 7.226 1.00 1.70 O ATOM 0 H GLU A 47 -10.380 -9.961 5.425 1.00 0.27 H new ATOM 0 HA GLU A 47 -7.750 -9.515 6.475 1.00 0.24 H new ATOM 0 HB2 GLU A 47 -9.188 -11.730 4.997 1.00 0.24 H new ATOM 0 HB3 GLU A 47 -7.449 -11.838 5.188 1.00 0.24 H new ATOM 0 HG2 GLU A 47 -7.568 -11.983 7.537 1.00 0.49 H new ATOM 0 HG3 GLU A 47 -9.085 -11.110 7.623 1.00 0.49 H new ATOM 734 N THR A 48 -8.121 -8.941 3.337 1.00 0.22 N ATOM 735 CA THR A 48 -7.399 -8.503 2.109 1.00 0.29 C ATOM 736 C THR A 48 -6.659 -7.193 2.392 1.00 0.30 C ATOM 737 O THR A 48 -5.496 -7.046 2.073 1.00 0.43 O ATOM 738 CB THR A 48 -8.405 -8.285 0.976 1.00 0.31 C ATOM 739 OG1 THR A 48 -9.316 -9.374 0.939 1.00 0.30 O ATOM 740 CG2 THR A 48 -7.661 -8.194 -0.358 1.00 0.39 C ATOM 0 H THR A 48 -9.134 -8.820 3.312 1.00 0.22 H new ATOM 0 HA THR A 48 -6.682 -9.270 1.816 1.00 0.29 H new ATOM 0 HB THR A 48 -8.952 -7.358 1.148 1.00 0.31 H new ATOM 0 HG1 THR A 48 -9.811 -9.415 1.784 1.00 0.30 H new ATOM 0 HG21 THR A 48 -8.378 -8.039 -1.164 1.00 0.39 H new ATOM 0 HG22 THR A 48 -6.962 -7.358 -0.328 1.00 0.39 H new ATOM 0 HG23 THR A 48 -7.113 -9.120 -0.533 1.00 0.39 H new ATOM 748 N PHE A 49 -7.323 -6.242 2.989 1.00 0.20 N ATOM 749 CA PHE A 49 -6.656 -4.945 3.292 1.00 0.20 C ATOM 750 C PHE A 49 -5.614 -5.152 4.393 1.00 0.21 C ATOM 751 O PHE A 49 -4.603 -4.478 4.438 1.00 0.22 O ATOM 752 CB PHE A 49 -7.700 -3.931 3.763 1.00 0.18 C ATOM 753 CG PHE A 49 -8.801 -3.828 2.733 1.00 0.26 C ATOM 754 CD1 PHE A 49 -8.554 -3.199 1.506 1.00 0.34 C ATOM 755 CD2 PHE A 49 -10.067 -4.360 3.005 1.00 0.30 C ATOM 756 CE1 PHE A 49 -9.573 -3.103 0.552 1.00 0.43 C ATOM 757 CE2 PHE A 49 -11.087 -4.264 2.049 1.00 0.41 C ATOM 758 CZ PHE A 49 -10.839 -3.635 0.823 1.00 0.46 C ATOM 0 H PHE A 49 -8.298 -6.307 3.280 1.00 0.20 H new ATOM 0 HA PHE A 49 -6.166 -4.571 2.393 1.00 0.20 H new ATOM 0 HB2 PHE A 49 -8.113 -4.238 4.724 1.00 0.18 H new ATOM 0 HB3 PHE A 49 -7.235 -2.957 3.913 1.00 0.18 H new ATOM 0 HD1 PHE A 49 -7.577 -2.788 1.296 1.00 0.34 H new ATOM 0 HD2 PHE A 49 -10.257 -4.844 3.951 1.00 0.30 H new ATOM 0 HE1 PHE A 49 -9.383 -2.618 -0.394 1.00 0.43 H new ATOM 0 HE2 PHE A 49 -12.064 -4.675 2.258 1.00 0.41 H new ATOM 0 HZ PHE A 49 -11.625 -3.560 0.086 1.00 0.46 H new ATOM 768 N CYS A 50 -5.850 -6.078 5.280 1.00 0.21 N ATOM 769 CA CYS A 50 -4.872 -6.327 6.377 1.00 0.21 C ATOM 770 C CYS A 50 -3.572 -6.875 5.785 1.00 0.20 C ATOM 771 O CYS A 50 -2.513 -6.307 5.957 1.00 0.20 O ATOM 772 CB CYS A 50 -5.454 -7.345 7.360 1.00 0.22 C ATOM 773 SG CYS A 50 -4.173 -7.847 8.536 1.00 0.21 S ATOM 0 H CYS A 50 -6.678 -6.674 5.293 1.00 0.21 H new ATOM 0 HA CYS A 50 -4.668 -5.393 6.901 1.00 0.21 H new ATOM 0 HB2 CYS A 50 -6.301 -6.911 7.891 1.00 0.22 H new ATOM 0 HB3 CYS A 50 -5.829 -8.215 6.820 1.00 0.22 H new ATOM 778 N ARG A 51 -3.645 -7.976 5.089 1.00 0.23 N ATOM 779 CA ARG A 51 -2.414 -8.558 4.485 1.00 0.23 C ATOM 780 C ARG A 51 -1.676 -7.478 3.693 1.00 0.20 C ATOM 781 O ARG A 51 -0.481 -7.302 3.827 1.00 0.13 O ATOM 782 CB ARG A 51 -2.797 -9.707 3.549 1.00 0.25 C ATOM 783 CG ARG A 51 -3.336 -10.878 4.373 1.00 0.27 C ATOM 784 CD ARG A 51 -3.724 -12.025 3.437 1.00 0.44 C ATOM 785 NE ARG A 51 -4.566 -11.497 2.327 1.00 2.05 N ATOM 786 CZ ARG A 51 -4.766 -12.220 1.259 1.00 2.49 C ATOM 787 NH1 ARG A 51 -4.227 -13.404 1.162 1.00 1.64 N ATOM 788 NH2 ARG A 51 -5.504 -11.757 0.286 1.00 4.03 N ATOM 0 H ARG A 51 -4.504 -8.497 4.913 1.00 0.23 H new ATOM 0 HA ARG A 51 -1.766 -8.936 5.275 1.00 0.23 H new ATOM 0 HB2 ARG A 51 -3.550 -9.373 2.835 1.00 0.25 H new ATOM 0 HB3 ARG A 51 -1.929 -10.024 2.971 1.00 0.25 H new ATOM 0 HG2 ARG A 51 -2.581 -11.214 5.084 1.00 0.27 H new ATOM 0 HG3 ARG A 51 -4.202 -10.560 4.954 1.00 0.27 H new ATOM 0 HD2 ARG A 51 -2.829 -12.499 3.035 1.00 0.44 H new ATOM 0 HD3 ARG A 51 -4.269 -12.790 3.989 1.00 0.44 H new ATOM 0 HE ARG A 51 -4.986 -10.571 2.402 1.00 2.05 H new ATOM 0 HH11 ARG A 51 -3.649 -13.765 1.921 1.00 1.64 H new ATOM 0 HH12 ARG A 51 -4.384 -13.969 0.327 1.00 1.64 H new ATOM 0 HH21 ARG A 51 -5.924 -10.830 0.361 1.00 4.03 H new ATOM 0 HH22 ARG A 51 -5.660 -12.322 -0.549 1.00 4.03 H new ATOM 802 N ALA A 52 -2.379 -6.752 2.867 1.00 0.28 N ATOM 803 CA ALA A 52 -1.717 -5.682 2.068 1.00 0.26 C ATOM 804 C ALA A 52 -0.935 -4.759 3.004 1.00 0.25 C ATOM 805 O ALA A 52 0.194 -4.399 2.736 1.00 0.24 O ATOM 806 CB ALA A 52 -2.780 -4.873 1.322 1.00 0.25 C ATOM 0 H ALA A 52 -3.382 -6.853 2.711 1.00 0.28 H new ATOM 0 HA ALA A 52 -1.033 -6.133 1.349 1.00 0.26 H new ATOM 0 HB1 ALA A 52 -2.297 -4.090 0.737 1.00 0.25 H new ATOM 0 HB2 ALA A 52 -3.338 -5.532 0.656 1.00 0.25 H new ATOM 0 HB3 ALA A 52 -3.463 -4.420 2.040 1.00 0.25 H new ATOM 812 N ALA A 53 -1.526 -4.372 4.102 1.00 0.26 N ATOM 813 CA ALA A 53 -0.817 -3.473 5.053 1.00 0.26 C ATOM 814 C ALA A 53 0.413 -4.192 5.612 1.00 0.27 C ATOM 815 O ALA A 53 1.476 -3.618 5.738 1.00 0.23 O ATOM 816 CB ALA A 53 -1.756 -3.102 6.203 1.00 0.30 C ATOM 0 H ALA A 53 -2.470 -4.641 4.380 1.00 0.26 H new ATOM 0 HA ALA A 53 -0.505 -2.567 4.533 1.00 0.26 H new ATOM 0 HB1 ALA A 53 -1.236 -2.444 6.899 1.00 0.30 H new ATOM 0 HB2 ALA A 53 -2.633 -2.591 5.806 1.00 0.30 H new ATOM 0 HB3 ALA A 53 -2.068 -4.007 6.724 1.00 0.30 H new ATOM 822 N THR A 54 0.278 -5.446 5.947 1.00 0.35 N ATOM 823 CA THR A 54 1.440 -6.200 6.496 1.00 0.38 C ATOM 824 C THR A 54 2.656 -5.988 5.592 1.00 0.32 C ATOM 825 O THR A 54 3.751 -5.739 6.056 1.00 0.29 O ATOM 826 CB THR A 54 1.101 -7.691 6.553 1.00 0.48 C ATOM 827 OG1 THR A 54 -0.140 -7.867 7.222 1.00 0.55 O ATOM 828 CG2 THR A 54 2.200 -8.439 7.309 1.00 0.52 C ATOM 0 H THR A 54 -0.587 -5.981 5.864 1.00 0.35 H new ATOM 0 HA THR A 54 1.665 -5.841 7.500 1.00 0.38 H new ATOM 0 HB THR A 54 1.028 -8.086 5.540 1.00 0.48 H new ATOM 0 HG1 THR A 54 -0.360 -8.821 7.258 1.00 0.55 H new ATOM 0 HG21 THR A 54 1.957 -9.501 7.348 1.00 0.52 H new ATOM 0 HG22 THR A 54 3.152 -8.304 6.795 1.00 0.52 H new ATOM 0 HG23 THR A 54 2.276 -8.046 8.323 1.00 0.52 H new ATOM 836 N VAL A 55 2.472 -6.083 4.304 1.00 0.31 N ATOM 837 CA VAL A 55 3.618 -5.885 3.371 1.00 0.31 C ATOM 838 C VAL A 55 4.131 -4.449 3.496 1.00 0.21 C ATOM 839 O VAL A 55 5.277 -4.216 3.826 1.00 0.23 O ATOM 840 CB VAL A 55 3.155 -6.138 1.935 1.00 0.36 C ATOM 841 CG1 VAL A 55 4.366 -6.135 1.001 1.00 0.30 C ATOM 842 CG2 VAL A 55 2.456 -7.497 1.858 1.00 0.45 C ATOM 0 H VAL A 55 1.579 -6.289 3.857 1.00 0.31 H new ATOM 0 HA VAL A 55 4.418 -6.581 3.622 1.00 0.31 H new ATOM 0 HB VAL A 55 2.461 -5.354 1.633 1.00 0.36 H new ATOM 0 HG11 VAL A 55 4.037 -6.315 -0.022 1.00 0.30 H new ATOM 0 HG12 VAL A 55 4.866 -5.168 1.056 1.00 0.30 H new ATOM 0 HG13 VAL A 55 5.060 -6.920 1.302 1.00 0.30 H new ATOM 0 HG21 VAL A 55 2.125 -7.679 0.835 1.00 0.45 H new ATOM 0 HG22 VAL A 55 3.151 -8.281 2.160 1.00 0.45 H new ATOM 0 HG23 VAL A 55 1.593 -7.501 2.524 1.00 0.45 H new ATOM 852 N LEU A 56 3.293 -3.484 3.236 1.00 0.15 N ATOM 853 CA LEU A 56 3.737 -2.068 3.343 1.00 0.16 C ATOM 854 C LEU A 56 4.423 -1.851 4.693 1.00 0.15 C ATOM 855 O LEU A 56 5.337 -1.061 4.818 1.00 0.18 O ATOM 856 CB LEU A 56 2.523 -1.141 3.233 1.00 0.19 C ATOM 857 CG LEU A 56 1.734 -1.477 1.965 1.00 0.24 C ATOM 858 CD1 LEU A 56 0.522 -0.551 1.858 1.00 0.25 C ATOM 859 CD2 LEU A 56 2.631 -1.286 0.740 1.00 0.22 C ATOM 0 H LEU A 56 2.321 -3.615 2.955 1.00 0.15 H new ATOM 0 HA LEU A 56 4.437 -1.845 2.538 1.00 0.16 H new ATOM 0 HB2 LEU A 56 1.886 -1.254 4.110 1.00 0.19 H new ATOM 0 HB3 LEU A 56 2.848 -0.101 3.206 1.00 0.19 H new ATOM 0 HG LEU A 56 1.397 -2.513 2.011 1.00 0.24 H new ATOM 0 HD11 LEU A 56 -0.040 -0.790 0.955 1.00 0.25 H new ATOM 0 HD12 LEU A 56 -0.118 -0.687 2.730 1.00 0.25 H new ATOM 0 HD13 LEU A 56 0.858 0.485 1.812 1.00 0.25 H new ATOM 0 HD21 LEU A 56 2.069 -1.525 -0.163 1.00 0.22 H new ATOM 0 HD22 LEU A 56 2.968 -0.251 0.694 1.00 0.22 H new ATOM 0 HD23 LEU A 56 3.495 -1.946 0.815 1.00 0.22 H new ATOM 871 N ARG A 57 3.987 -2.546 5.708 1.00 0.16 N ATOM 872 CA ARG A 57 4.613 -2.379 7.050 1.00 0.21 C ATOM 873 C ARG A 57 6.083 -2.801 6.990 1.00 0.19 C ATOM 874 O ARG A 57 6.978 -1.987 7.103 1.00 0.19 O ATOM 875 CB ARG A 57 3.874 -3.249 8.068 1.00 0.26 C ATOM 876 CG ARG A 57 4.159 -2.736 9.481 1.00 0.37 C ATOM 877 CD ARG A 57 3.385 -3.579 10.496 1.00 0.40 C ATOM 878 NE ARG A 57 3.394 -2.894 11.820 1.00 0.77 N ATOM 879 CZ ARG A 57 2.560 -3.266 12.752 1.00 1.01 C ATOM 880 NH1 ARG A 57 1.720 -4.238 12.526 1.00 0.83 N ATOM 881 NH2 ARG A 57 2.568 -2.665 13.911 1.00 1.78 N ATOM 0 H ARG A 57 3.224 -3.222 5.666 1.00 0.16 H new ATOM 0 HA ARG A 57 4.550 -1.333 7.350 1.00 0.21 H new ATOM 0 HB2 ARG A 57 2.802 -3.227 7.871 1.00 0.26 H new ATOM 0 HB3 ARG A 57 4.194 -4.287 7.975 1.00 0.26 H new ATOM 0 HG2 ARG A 57 5.228 -2.787 9.689 1.00 0.37 H new ATOM 0 HG3 ARG A 57 3.868 -1.689 9.565 1.00 0.37 H new ATOM 0 HD2 ARG A 57 2.359 -3.725 10.157 1.00 0.40 H new ATOM 0 HD3 ARG A 57 3.836 -4.568 10.583 1.00 0.40 H new ATOM 0 HE ARG A 57 4.052 -2.135 11.997 1.00 0.77 H new ATOM 0 HH11 ARG A 57 1.715 -4.708 11.621 1.00 0.83 H new ATOM 0 HH12 ARG A 57 1.068 -4.529 13.255 1.00 0.83 H new ATOM 0 HH21 ARG A 57 3.226 -1.906 14.087 1.00 1.78 H new ATOM 0 HH22 ARG A 57 1.917 -2.955 14.640 1.00 1.78 H new ATOM 895 N GLN A 58 6.341 -4.069 6.819 1.00 0.17 N ATOM 896 CA GLN A 58 7.753 -4.541 6.759 1.00 0.15 C ATOM 897 C GLN A 58 8.455 -3.924 5.546 1.00 0.15 C ATOM 898 O GLN A 58 9.620 -4.167 5.305 1.00 0.16 O ATOM 899 CB GLN A 58 7.779 -6.068 6.644 1.00 0.13 C ATOM 900 CG GLN A 58 7.446 -6.484 5.209 1.00 0.37 C ATOM 901 CD GLN A 58 8.732 -6.540 4.382 1.00 1.82 C ATOM 902 OE1 GLN A 58 8.973 -5.686 3.553 1.00 3.19 O ATOM 903 NE2 GLN A 58 9.574 -7.519 4.575 1.00 2.08 N ATOM 0 H GLN A 58 5.635 -4.798 6.718 1.00 0.17 H new ATOM 0 HA GLN A 58 8.272 -4.236 7.668 1.00 0.15 H new ATOM 0 HB2 GLN A 58 8.762 -6.447 6.924 1.00 0.13 H new ATOM 0 HB3 GLN A 58 7.060 -6.507 7.336 1.00 0.13 H new ATOM 0 HG2 GLN A 58 6.956 -7.458 5.206 1.00 0.37 H new ATOM 0 HG3 GLN A 58 6.747 -5.774 4.766 1.00 0.37 H new ATOM 0 HE21 GLN A 58 9.371 -8.236 5.271 1.00 2.08 H new ATOM 0 HE22 GLN A 58 10.434 -7.567 4.029 1.00 2.08 H new ATOM 912 N PHE A 59 7.758 -3.128 4.780 1.00 0.15 N ATOM 913 CA PHE A 59 8.395 -2.504 3.586 1.00 0.16 C ATOM 914 C PHE A 59 9.122 -1.221 3.999 1.00 0.16 C ATOM 915 O PHE A 59 10.335 -1.175 4.050 1.00 0.17 O ATOM 916 CB PHE A 59 7.323 -2.167 2.548 1.00 0.18 C ATOM 917 CG PHE A 59 7.987 -1.716 1.270 1.00 0.18 C ATOM 918 CD1 PHE A 59 8.378 -2.661 0.313 1.00 0.24 C ATOM 919 CD2 PHE A 59 8.216 -0.354 1.042 1.00 0.17 C ATOM 920 CE1 PHE A 59 8.996 -2.243 -0.871 1.00 0.25 C ATOM 921 CE2 PHE A 59 8.834 0.064 -0.142 1.00 0.17 C ATOM 922 CZ PHE A 59 9.225 -0.880 -1.099 1.00 0.19 C ATOM 0 H PHE A 59 6.779 -2.884 4.929 1.00 0.15 H new ATOM 0 HA PHE A 59 9.111 -3.204 3.156 1.00 0.16 H new ATOM 0 HB2 PHE A 59 6.698 -3.040 2.358 1.00 0.18 H new ATOM 0 HB3 PHE A 59 6.668 -1.382 2.927 1.00 0.18 H new ATOM 0 HD1 PHE A 59 8.203 -3.712 0.489 1.00 0.24 H new ATOM 0 HD2 PHE A 59 7.916 0.375 1.780 1.00 0.17 H new ATOM 0 HE1 PHE A 59 9.297 -2.972 -1.609 1.00 0.25 H new ATOM 0 HE2 PHE A 59 9.009 1.115 -0.317 1.00 0.17 H new ATOM 0 HZ PHE A 59 9.703 -0.558 -2.012 1.00 0.19 H new ATOM 932 N TYR A 60 8.393 -0.176 4.285 1.00 0.16 N ATOM 933 CA TYR A 60 9.051 1.102 4.684 1.00 0.18 C ATOM 934 C TYR A 60 9.598 0.982 6.108 1.00 0.21 C ATOM 935 O TYR A 60 10.247 1.879 6.609 1.00 0.24 O ATOM 936 CB TYR A 60 8.032 2.245 4.622 1.00 0.17 C ATOM 937 CG TYR A 60 6.964 2.033 5.669 1.00 0.17 C ATOM 938 CD1 TYR A 60 7.207 2.385 7.002 1.00 0.18 C ATOM 939 CD2 TYR A 60 5.728 1.486 5.305 1.00 0.17 C ATOM 940 CE1 TYR A 60 6.216 2.188 7.970 1.00 0.18 C ATOM 941 CE2 TYR A 60 4.737 1.289 6.273 1.00 0.17 C ATOM 942 CZ TYR A 60 4.980 1.640 7.606 1.00 0.18 C ATOM 943 OH TYR A 60 4.003 1.445 8.560 1.00 0.18 O ATOM 0 H TYR A 60 7.374 -0.151 4.260 1.00 0.16 H new ATOM 0 HA TYR A 60 9.874 1.310 4.000 1.00 0.18 H new ATOM 0 HB2 TYR A 60 8.532 3.200 4.787 1.00 0.17 H new ATOM 0 HB3 TYR A 60 7.580 2.289 3.631 1.00 0.17 H new ATOM 0 HD1 TYR A 60 8.160 2.809 7.283 1.00 0.18 H new ATOM 0 HD2 TYR A 60 5.539 1.216 4.277 1.00 0.17 H new ATOM 0 HE1 TYR A 60 6.405 2.459 8.998 1.00 0.18 H new ATOM 0 HE2 TYR A 60 3.784 0.866 5.991 1.00 0.17 H new ATOM 0 HH TYR A 60 3.164 1.852 8.257 1.00 0.18 H new ATOM 953 N SER A 61 9.344 -0.115 6.766 1.00 0.22 N ATOM 954 CA SER A 61 9.855 -0.281 8.156 1.00 0.26 C ATOM 955 C SER A 61 11.236 -0.940 8.116 1.00 0.29 C ATOM 956 O SER A 61 12.130 -0.573 8.853 1.00 0.33 O ATOM 957 CB SER A 61 8.893 -1.161 8.953 1.00 0.28 C ATOM 958 OG SER A 61 7.592 -0.587 8.915 1.00 0.26 O ATOM 0 H SER A 61 8.806 -0.902 6.403 1.00 0.22 H new ATOM 0 HA SER A 61 9.932 0.696 8.633 1.00 0.26 H new ATOM 0 HB2 SER A 61 8.872 -2.168 8.535 1.00 0.28 H new ATOM 0 HB3 SER A 61 9.234 -1.251 9.984 1.00 0.28 H new ATOM 0 HG SER A 61 7.070 -1.007 8.200 1.00 0.26 H new ATOM 964 N HIS A 62 11.417 -1.911 7.264 1.00 0.29 N ATOM 965 CA HIS A 62 12.740 -2.592 7.180 1.00 0.33 C ATOM 966 C HIS A 62 13.621 -1.874 6.156 1.00 0.31 C ATOM 967 O HIS A 62 14.833 -1.894 6.242 1.00 0.38 O ATOM 968 CB HIS A 62 12.539 -4.046 6.749 1.00 0.34 C ATOM 969 CG HIS A 62 11.887 -4.815 7.866 1.00 0.63 C ATOM 970 ND1 HIS A 62 11.130 -4.195 8.847 1.00 1.36 N ATOM 971 CD2 HIS A 62 11.869 -6.154 8.168 1.00 1.08 C ATOM 972 CE1 HIS A 62 10.692 -5.150 9.686 1.00 1.38 C ATOM 973 NE2 HIS A 62 11.115 -6.364 9.319 1.00 1.08 N ATOM 0 H HIS A 62 10.706 -2.262 6.622 1.00 0.29 H new ATOM 0 HA HIS A 62 13.224 -2.566 8.156 1.00 0.33 H new ATOM 0 HB2 HIS A 62 11.919 -4.089 5.854 1.00 0.34 H new ATOM 0 HB3 HIS A 62 13.498 -4.497 6.494 1.00 0.34 H new ATOM 0 HD2 HIS A 62 12.364 -6.927 7.599 1.00 1.08 H new ATOM 0 HE1 HIS A 62 10.074 -4.960 10.551 1.00 1.38 H new ATOM 0 HE2 HIS A 62 10.926 -7.253 9.783 1.00 1.08 H new ATOM 981 N HIS A 63 13.023 -1.241 5.183 1.00 0.34 N ATOM 982 CA HIS A 63 13.828 -0.525 4.153 1.00 0.34 C ATOM 983 C HIS A 63 14.272 0.831 4.703 1.00 0.37 C ATOM 984 O HIS A 63 15.416 1.220 4.573 1.00 0.35 O ATOM 985 CB HIS A 63 12.977 -0.312 2.900 1.00 0.31 C ATOM 986 CG HIS A 63 12.673 -1.644 2.268 1.00 0.32 C ATOM 987 ND1 HIS A 63 13.639 -2.624 2.109 1.00 0.38 N ATOM 988 CD2 HIS A 63 11.515 -2.170 1.752 1.00 0.33 C ATOM 989 CE1 HIS A 63 13.051 -3.682 1.520 1.00 0.36 C ATOM 990 NE2 HIS A 63 11.757 -3.458 1.280 1.00 0.34 N ATOM 0 H HIS A 63 12.012 -1.189 5.057 1.00 0.34 H new ATOM 0 HA HIS A 63 14.706 -1.119 3.901 1.00 0.34 H new ATOM 0 HB2 HIS A 63 12.050 0.200 3.159 1.00 0.31 H new ATOM 0 HB3 HIS A 63 13.506 0.326 2.192 1.00 0.31 H new ATOM 0 HD2 HIS A 63 10.562 -1.663 1.717 1.00 0.33 H new ATOM 0 HE1 HIS A 63 13.563 -4.600 1.272 1.00 0.36 H new ATOM 0 HE2 HIS A 63 11.089 -4.094 0.844 1.00 0.34 H new ATOM 998 N GLU A 64 13.376 1.556 5.316 1.00 0.41 N ATOM 999 CA GLU A 64 13.747 2.888 5.873 1.00 0.45 C ATOM 1000 C GLU A 64 15.055 2.769 6.656 1.00 0.39 C ATOM 1001 O GLU A 64 15.764 3.736 6.851 1.00 0.48 O ATOM 1002 CB GLU A 64 12.637 3.377 6.805 1.00 0.51 C ATOM 1003 CG GLU A 64 13.126 4.603 7.582 1.00 0.64 C ATOM 1004 CD GLU A 64 11.940 5.520 7.885 1.00 1.05 C ATOM 1005 OE1 GLU A 64 11.014 5.064 8.534 1.00 1.81 O ATOM 1006 OE2 GLU A 64 11.979 6.666 7.464 1.00 1.42 O ATOM 0 H GLU A 64 12.403 1.283 5.455 1.00 0.41 H new ATOM 0 HA GLU A 64 13.877 3.599 5.057 1.00 0.45 H new ATOM 0 HB2 GLU A 64 11.748 3.630 6.228 1.00 0.51 H new ATOM 0 HB3 GLU A 64 12.353 2.584 7.497 1.00 0.51 H new ATOM 0 HG2 GLU A 64 13.605 4.291 8.510 1.00 0.64 H new ATOM 0 HG3 GLU A 64 13.876 5.140 7.001 1.00 0.64 H new ATOM 1013 N LYS A 65 15.382 1.587 7.105 1.00 0.27 N ATOM 1014 CA LYS A 65 16.645 1.406 7.875 1.00 0.23 C ATOM 1015 C LYS A 65 17.771 1.001 6.920 1.00 0.14 C ATOM 1016 O LYS A 65 18.931 1.268 7.162 1.00 0.14 O ATOM 1017 CB LYS A 65 16.451 0.313 8.927 1.00 0.27 C ATOM 1018 CG LYS A 65 15.180 0.595 9.729 1.00 0.59 C ATOM 1019 CD LYS A 65 15.099 -0.367 10.916 1.00 1.14 C ATOM 1020 CE LYS A 65 15.305 0.408 12.218 1.00 1.21 C ATOM 1021 NZ LYS A 65 15.212 -0.528 13.374 1.00 2.12 N ATOM 0 H LYS A 65 14.829 0.740 6.972 1.00 0.27 H new ATOM 0 HA LYS A 65 16.906 2.342 8.369 1.00 0.23 H new ATOM 0 HB2 LYS A 65 16.380 -0.662 8.445 1.00 0.27 H new ATOM 0 HB3 LYS A 65 17.313 0.277 9.593 1.00 0.27 H new ATOM 0 HG2 LYS A 65 15.182 1.626 10.083 1.00 0.59 H new ATOM 0 HG3 LYS A 65 14.303 0.478 9.093 1.00 0.59 H new ATOM 0 HD2 LYS A 65 14.130 -0.866 10.927 1.00 1.14 H new ATOM 0 HD3 LYS A 65 15.857 -1.144 10.820 1.00 1.14 H new ATOM 0 HE2 LYS A 65 16.278 0.899 12.211 1.00 1.21 H new ATOM 0 HE3 LYS A 65 14.553 1.192 12.310 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 15.352 -0.001 14.260 1.00 2.12 H new ATOM 0 HZ2 LYS A 65 14.274 -0.977 13.383 1.00 2.12 H new ATOM 0 HZ3 LYS A 65 15.945 -1.261 13.287 1.00 2.12 H new ATOM 1035 N ASP A 66 17.436 0.357 5.835 1.00 0.12 N ATOM 1036 CA ASP A 66 18.487 -0.066 4.865 1.00 0.16 C ATOM 1037 C ASP A 66 18.960 1.150 4.065 1.00 0.21 C ATOM 1038 O ASP A 66 18.193 2.041 3.760 1.00 0.28 O ATOM 1039 CB ASP A 66 17.908 -1.111 3.909 1.00 0.28 C ATOM 1040 CG ASP A 66 19.040 -1.977 3.354 1.00 0.78 C ATOM 1041 OD1 ASP A 66 20.081 -1.425 3.039 1.00 1.72 O ATOM 1042 OD2 ASP A 66 18.847 -3.177 3.253 1.00 1.10 O ATOM 0 H ASP A 66 16.481 0.106 5.578 1.00 0.12 H new ATOM 0 HA ASP A 66 19.330 -0.496 5.406 1.00 0.16 H new ATOM 0 HB2 ASP A 66 17.182 -1.734 4.431 1.00 0.28 H new ATOM 0 HB3 ASP A 66 17.378 -0.619 3.093 1.00 0.28 H new ATOM 1047 N THR A 67 20.220 1.193 3.724 1.00 0.22 N ATOM 1048 CA THR A 67 20.744 2.350 2.945 1.00 0.32 C ATOM 1049 C THR A 67 20.709 2.019 1.451 1.00 0.35 C ATOM 1050 O THR A 67 21.612 2.357 0.710 1.00 0.49 O ATOM 1051 CB THR A 67 22.187 2.639 3.369 1.00 0.41 C ATOM 1052 OG1 THR A 67 22.944 1.438 3.313 1.00 0.58 O ATOM 1053 CG2 THR A 67 22.200 3.188 4.797 1.00 0.99 C ATOM 0 H THR A 67 20.909 0.476 3.952 1.00 0.22 H new ATOM 0 HA THR A 67 20.125 3.226 3.137 1.00 0.32 H new ATOM 0 HB THR A 67 22.625 3.376 2.695 1.00 0.41 H new ATOM 0 HG1 THR A 67 23.868 1.621 3.582 1.00 0.58 H new ATOM 0 HG21 THR A 67 23.227 3.394 5.098 1.00 0.99 H new ATOM 0 HG22 THR A 67 21.619 4.109 4.838 1.00 0.99 H new ATOM 0 HG23 THR A 67 21.764 2.453 5.473 1.00 0.99 H new ATOM 1061 N ARG A 68 19.676 1.363 1.003 1.00 0.26 N ATOM 1062 CA ARG A 68 19.585 1.013 -0.443 1.00 0.36 C ATOM 1063 C ARG A 68 18.857 2.132 -1.191 1.00 0.40 C ATOM 1064 O ARG A 68 19.400 2.750 -2.084 1.00 0.55 O ATOM 1065 CB ARG A 68 18.812 -0.298 -0.605 1.00 0.39 C ATOM 1066 CG ARG A 68 19.606 -1.440 0.032 1.00 0.36 C ATOM 1067 CD ARG A 68 20.066 -2.411 -1.056 1.00 0.55 C ATOM 1068 NE ARG A 68 20.898 -3.486 -0.443 1.00 0.88 N ATOM 1069 CZ ARG A 68 21.150 -4.577 -1.113 1.00 1.02 C ATOM 1070 NH1 ARG A 68 20.675 -4.727 -2.319 1.00 0.76 N ATOM 1071 NH2 ARG A 68 21.879 -5.517 -0.577 1.00 1.78 N ATOM 0 H ARG A 68 18.890 1.054 1.575 1.00 0.26 H new ATOM 0 HA ARG A 68 20.588 0.894 -0.852 1.00 0.36 H new ATOM 0 HB2 ARG A 68 17.832 -0.215 -0.135 1.00 0.39 H new ATOM 0 HB3 ARG A 68 18.642 -0.504 -1.662 1.00 0.39 H new ATOM 0 HG2 ARG A 68 20.468 -1.043 0.568 1.00 0.36 H new ATOM 0 HG3 ARG A 68 18.989 -1.962 0.763 1.00 0.36 H new ATOM 0 HD2 ARG A 68 19.202 -2.847 -1.558 1.00 0.55 H new ATOM 0 HD3 ARG A 68 20.641 -1.879 -1.814 1.00 0.55 H new ATOM 0 HE ARG A 68 21.270 -3.369 0.499 1.00 0.88 H new ATOM 0 HH11 ARG A 68 20.106 -3.991 -2.738 1.00 0.76 H new ATOM 0 HH12 ARG A 68 20.872 -5.580 -2.842 1.00 0.76 H new ATOM 0 HH21 ARG A 68 22.251 -5.399 0.365 1.00 1.78 H new ATOM 0 HH22 ARG A 68 22.076 -6.370 -1.100 1.00 1.78 H new ATOM 1085 N CYS A 69 17.631 2.398 -0.832 1.00 0.28 N ATOM 1086 CA CYS A 69 16.869 3.477 -1.520 1.00 0.30 C ATOM 1087 C CYS A 69 17.376 4.841 -1.046 1.00 0.32 C ATOM 1088 O CYS A 69 16.780 5.864 -1.318 1.00 0.34 O ATOM 1089 CB CYS A 69 15.381 3.339 -1.190 1.00 0.35 C ATOM 1090 SG CYS A 69 14.931 1.585 -1.179 1.00 0.39 S ATOM 0 H CYS A 69 17.124 1.914 -0.091 1.00 0.28 H new ATOM 0 HA CYS A 69 17.010 3.393 -2.598 1.00 0.30 H new ATOM 0 HB2 CYS A 69 15.169 3.787 -0.219 1.00 0.35 H new ATOM 0 HB3 CYS A 69 14.782 3.875 -1.926 1.00 0.35 H new ATOM 1095 N LEU A 70 18.475 4.861 -0.341 1.00 0.32 N ATOM 1096 CA LEU A 70 19.027 6.155 0.151 1.00 0.36 C ATOM 1097 C LEU A 70 20.087 6.660 -0.830 1.00 0.39 C ATOM 1098 O LEU A 70 19.880 7.622 -1.543 1.00 0.50 O ATOM 1099 CB LEU A 70 19.667 5.946 1.529 1.00 0.27 C ATOM 1100 CG LEU A 70 18.598 6.053 2.624 1.00 0.53 C ATOM 1101 CD1 LEU A 70 19.194 5.616 3.963 1.00 0.41 C ATOM 1102 CD2 LEU A 70 18.099 7.501 2.743 1.00 0.84 C ATOM 0 H LEU A 70 19.015 4.035 -0.084 1.00 0.32 H new ATOM 0 HA LEU A 70 18.224 6.887 0.230 1.00 0.36 H new ATOM 0 HB2 LEU A 70 20.147 4.968 1.572 1.00 0.27 H new ATOM 0 HB3 LEU A 70 20.445 6.691 1.695 1.00 0.27 H new ATOM 0 HG LEU A 70 17.760 5.407 2.361 1.00 0.53 H new ATOM 0 HD11 LEU A 70 18.435 5.692 4.741 1.00 0.41 H new ATOM 0 HD12 LEU A 70 19.536 4.584 3.889 1.00 0.41 H new ATOM 0 HD13 LEU A 70 20.036 6.260 4.214 1.00 0.41 H new ATOM 0 HD21 LEU A 70 17.341 7.562 3.524 1.00 0.84 H new ATOM 0 HD22 LEU A 70 18.934 8.154 2.997 1.00 0.84 H new ATOM 0 HD23 LEU A 70 17.667 7.816 1.793 1.00 0.84 H new ATOM 1114 N GLY A 71 21.223 6.017 -0.872 1.00 0.62 N ATOM 1115 CA GLY A 71 22.296 6.459 -1.807 1.00 0.72 C ATOM 1116 C GLY A 71 22.983 7.707 -1.248 1.00 0.57 C ATOM 1117 O GLY A 71 22.633 8.198 -0.193 1.00 1.14 O ATOM 0 H GLY A 71 21.454 5.205 -0.299 1.00 0.62 H new ATOM 0 HA2 GLY A 71 23.025 5.660 -1.943 1.00 0.72 H new ATOM 0 HA3 GLY A 71 21.872 6.674 -2.788 1.00 0.72 H new ATOM 1121 N ALA A 72 23.957 8.223 -1.950 1.00 0.77 N ATOM 1122 CA ALA A 72 24.669 9.439 -1.464 1.00 0.57 C ATOM 1123 C ALA A 72 24.088 10.678 -2.150 1.00 0.28 C ATOM 1124 O ALA A 72 24.070 11.757 -1.592 1.00 0.45 O ATOM 1125 CB ALA A 72 26.158 9.325 -1.800 1.00 0.85 C ATOM 0 H ALA A 72 24.290 7.853 -2.840 1.00 0.77 H new ATOM 0 HA ALA A 72 24.544 9.527 -0.385 1.00 0.57 H new ATOM 0 HB1 ALA A 72 26.680 10.214 -1.445 1.00 0.85 H new ATOM 0 HB2 ALA A 72 26.574 8.442 -1.315 1.00 0.85 H new ATOM 0 HB3 ALA A 72 26.282 9.238 -2.879 1.00 0.85 H new ATOM 1131 N THR A 73 23.613 10.530 -3.356 1.00 0.42 N ATOM 1132 CA THR A 73 23.033 11.697 -4.077 1.00 0.65 C ATOM 1133 C THR A 73 22.074 12.447 -3.151 1.00 0.67 C ATOM 1134 O THR A 73 21.498 11.876 -2.246 1.00 0.61 O ATOM 1135 CB THR A 73 22.272 11.207 -5.311 1.00 0.90 C ATOM 1136 OG1 THR A 73 22.015 9.815 -5.184 1.00 1.24 O ATOM 1137 CG2 THR A 73 23.110 11.461 -6.565 1.00 1.01 C ATOM 0 H THR A 73 23.602 9.651 -3.873 1.00 0.42 H new ATOM 0 HA THR A 73 23.835 12.367 -4.386 1.00 0.65 H new ATOM 0 HB THR A 73 21.328 11.746 -5.394 1.00 0.90 H new ATOM 0 HG1 THR A 73 21.526 9.499 -5.973 1.00 1.24 H new ATOM 0 HG21 THR A 73 22.567 11.111 -7.443 1.00 1.01 H new ATOM 0 HG22 THR A 73 23.306 12.529 -6.661 1.00 1.01 H new ATOM 0 HG23 THR A 73 24.055 10.924 -6.486 1.00 1.01 H new ATOM 1145 N ALA A 74 21.898 13.721 -3.369 1.00 0.76 N ATOM 1146 CA ALA A 74 20.976 14.506 -2.501 1.00 0.79 C ATOM 1147 C ALA A 74 19.538 14.326 -2.992 1.00 0.86 C ATOM 1148 O ALA A 74 18.641 14.040 -2.225 1.00 1.12 O ATOM 1149 CB ALA A 74 21.354 15.987 -2.561 1.00 0.99 C ATOM 0 H ALA A 74 22.353 14.253 -4.111 1.00 0.76 H new ATOM 0 HA ALA A 74 21.057 14.153 -1.473 1.00 0.79 H new ATOM 0 HB1 ALA A 74 20.679 16.561 -1.926 1.00 0.99 H new ATOM 0 HB2 ALA A 74 22.378 16.116 -2.211 1.00 0.99 H new ATOM 0 HB3 ALA A 74 21.274 16.342 -3.589 1.00 0.99 H new ATOM 1155 N GLN A 75 19.313 14.491 -4.267 1.00 0.76 N ATOM 1156 CA GLN A 75 17.933 14.328 -4.806 1.00 0.83 C ATOM 1157 C GLN A 75 17.385 12.958 -4.401 1.00 0.73 C ATOM 1158 O GLN A 75 16.215 12.807 -4.112 1.00 0.79 O ATOM 1159 CB GLN A 75 17.965 14.434 -6.332 1.00 0.97 C ATOM 1160 CG GLN A 75 19.213 13.729 -6.868 1.00 0.51 C ATOM 1161 CD GLN A 75 20.374 14.721 -6.930 1.00 0.84 C ATOM 1162 OE1 GLN A 75 21.446 14.454 -6.423 1.00 1.85 O ATOM 1163 NE2 GLN A 75 20.208 15.866 -7.537 1.00 1.44 N ATOM 0 H GLN A 75 20.024 14.731 -4.958 1.00 0.76 H new ATOM 0 HA GLN A 75 17.291 15.110 -4.401 1.00 0.83 H new ATOM 0 HB2 GLN A 75 17.069 13.982 -6.757 1.00 0.97 H new ATOM 0 HB3 GLN A 75 17.968 15.481 -6.634 1.00 0.97 H new ATOM 0 HG2 GLN A 75 19.473 12.889 -6.224 1.00 0.51 H new ATOM 0 HG3 GLN A 75 19.016 13.322 -7.860 1.00 0.51 H new ATOM 0 HE21 GLN A 75 19.309 16.092 -7.963 1.00 1.44 H new ATOM 0 HE22 GLN A 75 20.977 16.534 -7.585 1.00 1.44 H new ATOM 1172 N GLN A 76 18.223 11.957 -4.378 1.00 0.62 N ATOM 1173 CA GLN A 76 17.749 10.599 -3.992 1.00 0.60 C ATOM 1174 C GLN A 76 17.448 10.572 -2.493 1.00 0.49 C ATOM 1175 O GLN A 76 16.568 9.869 -2.037 1.00 0.50 O ATOM 1176 CB GLN A 76 18.835 9.568 -4.313 1.00 0.54 C ATOM 1177 CG GLN A 76 18.190 8.203 -4.552 1.00 0.74 C ATOM 1178 CD GLN A 76 17.852 8.049 -6.035 1.00 0.81 C ATOM 1179 OE1 GLN A 76 17.784 9.023 -6.759 1.00 1.78 O ATOM 1180 NE2 GLN A 76 17.635 6.858 -6.523 1.00 1.26 N ATOM 0 H GLN A 76 19.214 12.022 -4.610 1.00 0.62 H new ATOM 0 HA GLN A 76 16.844 10.358 -4.549 1.00 0.60 H new ATOM 0 HB2 GLN A 76 19.395 9.877 -5.196 1.00 0.54 H new ATOM 0 HB3 GLN A 76 19.547 9.506 -3.490 1.00 0.54 H new ATOM 0 HG2 GLN A 76 18.868 7.409 -4.239 1.00 0.74 H new ATOM 0 HG3 GLN A 76 17.286 8.106 -3.951 1.00 0.74 H new ATOM 0 HE21 GLN A 76 17.692 6.040 -5.916 1.00 1.26 H new ATOM 0 HE22 GLN A 76 17.409 6.745 -7.511 1.00 1.26 H new ATOM 1189 N PHE A 77 18.175 11.332 -1.721 1.00 0.40 N ATOM 1190 CA PHE A 77 17.933 11.353 -0.252 1.00 0.30 C ATOM 1191 C PHE A 77 16.527 11.887 0.026 1.00 0.36 C ATOM 1192 O PHE A 77 15.802 11.360 0.847 1.00 0.21 O ATOM 1193 CB PHE A 77 18.966 12.259 0.422 1.00 0.30 C ATOM 1194 CG PHE A 77 18.833 12.148 1.923 1.00 0.29 C ATOM 1195 CD1 PHE A 77 19.324 11.018 2.586 1.00 0.34 C ATOM 1196 CD2 PHE A 77 18.218 13.175 2.649 1.00 0.26 C ATOM 1197 CE1 PHE A 77 19.201 10.914 3.978 1.00 0.37 C ATOM 1198 CE2 PHE A 77 18.095 13.072 4.040 1.00 0.27 C ATOM 1199 CZ PHE A 77 18.587 11.942 4.704 1.00 0.34 C ATOM 0 H PHE A 77 18.927 11.940 -2.045 1.00 0.40 H new ATOM 0 HA PHE A 77 18.022 10.342 0.145 1.00 0.30 H new ATOM 0 HB2 PHE A 77 19.972 11.973 0.114 1.00 0.30 H new ATOM 0 HB3 PHE A 77 18.818 13.292 0.109 1.00 0.30 H new ATOM 0 HD1 PHE A 77 19.798 10.226 2.025 1.00 0.34 H new ATOM 0 HD2 PHE A 77 17.839 14.047 2.136 1.00 0.26 H new ATOM 0 HE1 PHE A 77 19.579 10.042 4.490 1.00 0.37 H new ATOM 0 HE2 PHE A 77 17.621 13.864 4.600 1.00 0.27 H new ATOM 0 HZ PHE A 77 18.493 11.863 5.777 1.00 0.34 H new ATOM 1209 N HIS A 78 16.134 12.931 -0.651 1.00 0.59 N ATOM 1210 CA HIS A 78 14.775 13.498 -0.425 1.00 0.67 C ATOM 1211 C HIS A 78 13.728 12.587 -1.072 1.00 0.69 C ATOM 1212 O HIS A 78 12.784 12.162 -0.436 1.00 0.64 O ATOM 1213 CB HIS A 78 14.693 14.892 -1.047 1.00 0.89 C ATOM 1214 CG HIS A 78 13.792 15.762 -0.214 1.00 0.57 C ATOM 1215 ND1 HIS A 78 13.894 17.144 -0.211 1.00 0.47 N ATOM 1216 CD2 HIS A 78 12.767 15.460 0.649 1.00 0.42 C ATOM 1217 CE1 HIS A 78 12.956 17.618 0.628 1.00 0.40 C ATOM 1218 NE2 HIS A 78 12.241 16.633 1.179 1.00 0.34 N ATOM 0 H HIS A 78 16.696 13.416 -1.351 1.00 0.59 H new ATOM 0 HA HIS A 78 14.584 13.567 0.646 1.00 0.67 H new ATOM 0 HB2 HIS A 78 15.688 15.334 -1.108 1.00 0.89 H new ATOM 0 HB3 HIS A 78 14.311 14.825 -2.066 1.00 0.89 H new ATOM 0 HD2 HIS A 78 12.422 14.463 0.881 1.00 0.42 H new ATOM 0 HE1 HIS A 78 12.800 18.667 0.832 1.00 0.40 H new ATOM 0 HE2 HIS A 78 11.474 16.722 1.845 1.00 0.34 H new ATOM 1226 N ARG A 79 13.888 12.285 -2.332 1.00 0.80 N ATOM 1227 CA ARG A 79 12.901 11.402 -3.015 1.00 0.89 C ATOM 1228 C ARG A 79 12.629 10.175 -2.143 1.00 0.74 C ATOM 1229 O ARG A 79 11.571 9.581 -2.202 1.00 0.80 O ATOM 1230 CB ARG A 79 13.465 10.953 -4.365 1.00 1.07 C ATOM 1231 CG ARG A 79 12.720 11.668 -5.494 1.00 0.64 C ATOM 1232 CD ARG A 79 13.348 11.301 -6.840 1.00 0.70 C ATOM 1233 NE ARG A 79 14.299 10.168 -6.657 1.00 2.83 N ATOM 1234 CZ ARG A 79 14.714 9.493 -7.693 1.00 3.43 C ATOM 1235 NH1 ARG A 79 14.297 9.808 -8.888 1.00 2.13 N ATOM 1236 NH2 ARG A 79 15.547 8.500 -7.535 1.00 5.47 N ATOM 0 H ARG A 79 14.658 12.611 -2.916 1.00 0.80 H new ATOM 0 HA ARG A 79 11.972 11.950 -3.174 1.00 0.89 H new ATOM 0 HB2 ARG A 79 14.530 11.178 -4.419 1.00 1.07 H new ATOM 0 HB3 ARG A 79 13.361 9.873 -4.473 1.00 1.07 H new ATOM 0 HG2 ARG A 79 11.667 11.386 -5.484 1.00 0.64 H new ATOM 0 HG3 ARG A 79 12.762 12.747 -5.344 1.00 0.64 H new ATOM 0 HD2 ARG A 79 12.570 11.025 -7.552 1.00 0.70 H new ATOM 0 HD3 ARG A 79 13.870 12.163 -7.256 1.00 0.70 H new ATOM 0 HE ARG A 79 14.625 9.921 -5.723 1.00 2.83 H new ATOM 0 HH11 ARG A 79 13.646 10.583 -9.013 1.00 2.13 H new ATOM 0 HH12 ARG A 79 14.622 9.279 -9.697 1.00 2.13 H new ATOM 0 HH21 ARG A 79 15.873 8.252 -6.601 1.00 5.47 H new ATOM 0 HH22 ARG A 79 15.871 7.972 -8.346 1.00 5.47 H new ATOM 1250 N HIS A 80 13.579 9.790 -1.335 1.00 0.59 N ATOM 1251 CA HIS A 80 13.375 8.602 -0.461 1.00 0.53 C ATOM 1252 C HIS A 80 12.495 8.989 0.730 1.00 0.36 C ATOM 1253 O HIS A 80 11.457 8.402 0.962 1.00 0.34 O ATOM 1254 CB HIS A 80 14.730 8.104 0.048 1.00 0.48 C ATOM 1255 CG HIS A 80 14.516 7.086 1.132 1.00 0.54 C ATOM 1256 ND1 HIS A 80 14.294 5.746 0.854 1.00 0.75 N ATOM 1257 CD2 HIS A 80 14.485 7.194 2.501 1.00 0.51 C ATOM 1258 CE1 HIS A 80 14.142 5.108 2.030 1.00 0.81 C ATOM 1259 NE2 HIS A 80 14.249 5.945 3.065 1.00 0.69 N ATOM 0 H HIS A 80 14.486 10.247 -1.243 1.00 0.59 H new ATOM 0 HA HIS A 80 12.888 7.811 -1.032 1.00 0.53 H new ATOM 0 HB2 HIS A 80 15.299 7.664 -0.771 1.00 0.48 H new ATOM 0 HB3 HIS A 80 15.316 8.940 0.430 1.00 0.48 H new ATOM 0 HD2 HIS A 80 14.623 8.110 3.056 1.00 0.51 H new ATOM 0 HE1 HIS A 80 13.956 4.048 2.125 1.00 0.81 H new ATOM 0 HE2 HIS A 80 14.174 5.717 4.056 1.00 0.69 H new ATOM 1267 N LYS A 81 12.902 9.972 1.485 1.00 0.26 N ATOM 1268 CA LYS A 81 12.086 10.394 2.660 1.00 0.09 C ATOM 1269 C LYS A 81 10.646 10.655 2.214 1.00 0.11 C ATOM 1270 O LYS A 81 9.704 10.176 2.813 1.00 0.05 O ATOM 1271 CB LYS A 81 12.675 11.674 3.258 1.00 0.11 C ATOM 1272 CG LYS A 81 14.080 11.390 3.794 1.00 0.22 C ATOM 1273 CD LYS A 81 14.509 12.523 4.727 1.00 1.12 C ATOM 1274 CE LYS A 81 14.346 12.078 6.182 1.00 0.90 C ATOM 1275 NZ LYS A 81 13.040 11.379 6.344 1.00 1.81 N ATOM 0 H LYS A 81 13.762 10.501 1.340 1.00 0.26 H new ATOM 0 HA LYS A 81 12.096 9.604 3.411 1.00 0.09 H new ATOM 0 HB2 LYS A 81 12.715 12.457 2.500 1.00 0.11 H new ATOM 0 HB3 LYS A 81 12.035 12.040 4.061 1.00 0.11 H new ATOM 0 HG2 LYS A 81 14.092 10.440 4.329 1.00 0.22 H new ATOM 0 HG3 LYS A 81 14.785 11.299 2.967 1.00 0.22 H new ATOM 0 HD2 LYS A 81 15.547 12.794 4.533 1.00 1.12 H new ATOM 0 HD3 LYS A 81 13.906 13.411 4.538 1.00 1.12 H new ATOM 0 HE2 LYS A 81 15.163 11.414 6.464 1.00 0.90 H new ATOM 0 HE3 LYS A 81 14.393 12.942 6.845 1.00 0.90 H new ATOM 0 HZ1 LYS A 81 12.843 11.242 7.356 1.00 1.81 H new ATOM 0 HZ2 LYS A 81 12.284 11.953 5.918 1.00 1.81 H new ATOM 0 HZ3 LYS A 81 13.080 10.454 5.871 1.00 1.81 H new ATOM 1289 N GLN A 82 10.467 11.412 1.166 1.00 0.20 N ATOM 1290 CA GLN A 82 9.087 11.701 0.684 1.00 0.25 C ATOM 1291 C GLN A 82 8.357 10.385 0.413 1.00 0.25 C ATOM 1292 O GLN A 82 7.154 10.288 0.563 1.00 0.41 O ATOM 1293 CB GLN A 82 9.159 12.520 -0.606 1.00 0.32 C ATOM 1294 CG GLN A 82 8.164 13.680 -0.529 1.00 0.37 C ATOM 1295 CD GLN A 82 8.226 14.494 -1.824 1.00 0.63 C ATOM 1296 OE1 GLN A 82 9.114 14.306 -2.631 1.00 1.67 O ATOM 1297 NE2 GLN A 82 7.313 15.398 -2.056 1.00 0.72 N ATOM 0 H GLN A 82 11.216 11.842 0.623 1.00 0.20 H new ATOM 0 HA GLN A 82 8.547 12.267 1.443 1.00 0.25 H new ATOM 0 HB2 GLN A 82 10.169 12.902 -0.751 1.00 0.32 H new ATOM 0 HB3 GLN A 82 8.931 11.888 -1.464 1.00 0.32 H new ATOM 0 HG2 GLN A 82 7.155 13.298 -0.375 1.00 0.37 H new ATOM 0 HG3 GLN A 82 8.397 14.317 0.325 1.00 0.37 H new ATOM 0 HE21 GLN A 82 6.567 15.556 -1.378 1.00 0.72 H new ATOM 0 HE22 GLN A 82 7.345 15.947 -2.915 1.00 0.72 H new ATOM 1306 N LEU A 83 9.073 9.368 0.017 1.00 0.32 N ATOM 1307 CA LEU A 83 8.418 8.059 -0.262 1.00 0.33 C ATOM 1308 C LEU A 83 7.933 7.445 1.053 1.00 0.27 C ATOM 1309 O LEU A 83 6.760 7.187 1.235 1.00 0.23 O ATOM 1310 CB LEU A 83 9.427 7.118 -0.925 1.00 0.40 C ATOM 1311 CG LEU A 83 8.684 6.076 -1.764 1.00 0.43 C ATOM 1312 CD1 LEU A 83 9.696 5.148 -2.439 1.00 0.51 C ATOM 1313 CD2 LEU A 83 7.764 5.252 -0.861 1.00 0.37 C ATOM 0 H LEU A 83 10.083 9.387 -0.125 1.00 0.32 H new ATOM 0 HA LEU A 83 7.569 8.208 -0.929 1.00 0.33 H new ATOM 0 HB2 LEU A 83 10.110 7.687 -1.555 1.00 0.40 H new ATOM 0 HB3 LEU A 83 10.032 6.623 -0.165 1.00 0.40 H new ATOM 0 HG LEU A 83 8.089 6.582 -2.524 1.00 0.43 H new ATOM 0 HD11 LEU A 83 9.167 4.406 -3.037 1.00 0.51 H new ATOM 0 HD12 LEU A 83 10.352 5.733 -3.084 1.00 0.51 H new ATOM 0 HD13 LEU A 83 10.291 4.644 -1.678 1.00 0.51 H new ATOM 0 HD21 LEU A 83 7.235 4.510 -1.460 1.00 0.37 H new ATOM 0 HD22 LEU A 83 8.359 4.747 -0.100 1.00 0.37 H new ATOM 0 HD23 LEU A 83 7.042 5.911 -0.379 1.00 0.37 H new ATOM 1325 N ILE A 84 8.829 7.209 1.974 1.00 0.27 N ATOM 1326 CA ILE A 84 8.421 6.612 3.278 1.00 0.23 C ATOM 1327 C ILE A 84 7.196 7.353 3.817 1.00 0.15 C ATOM 1328 O ILE A 84 6.360 6.781 4.489 1.00 0.25 O ATOM 1329 CB ILE A 84 9.572 6.737 4.280 1.00 0.24 C ATOM 1330 CG1 ILE A 84 10.887 6.327 3.608 1.00 0.31 C ATOM 1331 CG2 ILE A 84 9.309 5.826 5.480 1.00 0.25 C ATOM 1332 CD1 ILE A 84 10.702 4.989 2.889 1.00 0.36 C ATOM 0 H ILE A 84 9.826 7.404 1.879 1.00 0.27 H new ATOM 0 HA ILE A 84 8.176 5.560 3.134 1.00 0.23 H new ATOM 0 HB ILE A 84 9.644 7.771 4.617 1.00 0.24 H new ATOM 0 HG12 ILE A 84 11.198 7.093 2.898 1.00 0.31 H new ATOM 0 HG13 ILE A 84 11.678 6.244 4.354 1.00 0.31 H new ATOM 0 HG21 ILE A 84 10.129 5.916 6.192 1.00 0.25 H new ATOM 0 HG22 ILE A 84 8.376 6.119 5.962 1.00 0.25 H new ATOM 0 HG23 ILE A 84 9.234 4.792 5.142 1.00 0.25 H new ATOM 0 HD11 ILE A 84 11.638 4.700 2.412 1.00 0.36 H new ATOM 0 HD12 ILE A 84 10.411 4.225 3.610 1.00 0.36 H new ATOM 0 HD13 ILE A 84 9.924 5.087 2.132 1.00 0.36 H new ATOM 1344 N ARG A 85 7.082 8.621 3.531 1.00 0.19 N ATOM 1345 CA ARG A 85 5.911 9.395 4.029 1.00 0.24 C ATOM 1346 C ARG A 85 4.640 8.909 3.328 1.00 0.28 C ATOM 1347 O ARG A 85 3.640 8.629 3.959 1.00 0.31 O ATOM 1348 CB ARG A 85 6.118 10.882 3.732 1.00 0.28 C ATOM 1349 CG ARG A 85 5.894 11.694 5.008 1.00 0.34 C ATOM 1350 CD ARG A 85 5.866 13.186 4.666 1.00 1.20 C ATOM 1351 NE ARG A 85 5.449 13.963 5.868 1.00 1.39 N ATOM 1352 CZ ARG A 85 5.637 15.253 5.907 1.00 1.92 C ATOM 1353 NH1 ARG A 85 6.189 15.863 4.895 1.00 2.51 N ATOM 1354 NH2 ARG A 85 5.272 15.933 6.960 1.00 2.21 N ATOM 0 H ARG A 85 7.750 9.154 2.974 1.00 0.19 H new ATOM 0 HA ARG A 85 5.812 9.248 5.105 1.00 0.24 H new ATOM 0 HB2 ARG A 85 7.126 11.051 3.353 1.00 0.28 H new ATOM 0 HB3 ARG A 85 5.427 11.208 2.955 1.00 0.28 H new ATOM 0 HG2 ARG A 85 4.956 11.400 5.479 1.00 0.34 H new ATOM 0 HG3 ARG A 85 6.688 11.490 5.726 1.00 0.34 H new ATOM 0 HD2 ARG A 85 6.851 13.512 4.333 1.00 1.20 H new ATOM 0 HD3 ARG A 85 5.174 13.369 3.844 1.00 1.20 H new ATOM 0 HE ARG A 85 5.017 13.486 6.659 1.00 1.39 H new ATOM 0 HH11 ARG A 85 6.474 15.331 4.073 1.00 2.51 H new ATOM 0 HH12 ARG A 85 6.336 16.872 4.926 1.00 2.51 H new ATOM 0 HH21 ARG A 85 4.840 15.455 7.751 1.00 2.21 H new ATOM 0 HH22 ARG A 85 5.419 16.942 6.992 1.00 2.21 H new ATOM 1368 N PHE A 86 4.671 8.806 2.029 1.00 0.29 N ATOM 1369 CA PHE A 86 3.466 8.339 1.288 1.00 0.35 C ATOM 1370 C PHE A 86 2.972 7.021 1.890 1.00 0.23 C ATOM 1371 O PHE A 86 1.801 6.854 2.165 1.00 0.30 O ATOM 1372 CB PHE A 86 3.823 8.126 -0.184 1.00 0.45 C ATOM 1373 CG PHE A 86 3.647 9.423 -0.938 1.00 0.60 C ATOM 1374 CD1 PHE A 86 2.363 9.936 -1.157 1.00 0.51 C ATOM 1375 CD2 PHE A 86 4.768 10.112 -1.419 1.00 0.85 C ATOM 1376 CE1 PHE A 86 2.199 11.138 -1.856 1.00 0.67 C ATOM 1377 CE2 PHE A 86 4.604 11.314 -2.119 1.00 1.00 C ATOM 1378 CZ PHE A 86 3.320 11.826 -2.337 1.00 0.91 C ATOM 0 H PHE A 86 5.480 9.025 1.447 1.00 0.29 H new ATOM 0 HA PHE A 86 2.679 9.090 1.366 1.00 0.35 H new ATOM 0 HB2 PHE A 86 4.852 7.778 -0.273 1.00 0.45 H new ATOM 0 HB3 PHE A 86 3.187 7.353 -0.615 1.00 0.45 H new ATOM 0 HD1 PHE A 86 1.499 9.405 -0.787 1.00 0.51 H new ATOM 0 HD2 PHE A 86 5.759 9.716 -1.250 1.00 0.85 H new ATOM 0 HE1 PHE A 86 1.209 11.534 -2.024 1.00 0.67 H new ATOM 0 HE2 PHE A 86 5.468 11.845 -2.490 1.00 1.00 H new ATOM 0 HZ PHE A 86 3.193 12.753 -2.877 1.00 0.91 H new ATOM 1388 N LEU A 87 3.857 6.083 2.094 1.00 0.16 N ATOM 1389 CA LEU A 87 3.435 4.778 2.677 1.00 0.19 C ATOM 1390 C LEU A 87 2.989 4.984 4.125 1.00 0.15 C ATOM 1391 O LEU A 87 1.921 4.563 4.521 1.00 0.26 O ATOM 1392 CB LEU A 87 4.612 3.800 2.640 1.00 0.30 C ATOM 1393 CG LEU A 87 5.185 3.742 1.223 1.00 0.13 C ATOM 1394 CD1 LEU A 87 6.356 2.759 1.184 1.00 0.32 C ATOM 1395 CD2 LEU A 87 4.098 3.277 0.251 1.00 0.21 C ATOM 0 H LEU A 87 4.852 6.164 1.883 1.00 0.16 H new ATOM 0 HA LEU A 87 2.606 4.373 2.097 1.00 0.19 H new ATOM 0 HB2 LEU A 87 5.383 4.116 3.343 1.00 0.30 H new ATOM 0 HB3 LEU A 87 4.284 2.808 2.952 1.00 0.30 H new ATOM 0 HG LEU A 87 5.533 4.733 0.933 1.00 0.13 H new ATOM 0 HD11 LEU A 87 6.764 2.718 0.174 1.00 0.32 H new ATOM 0 HD12 LEU A 87 7.131 3.089 1.875 1.00 0.32 H new ATOM 0 HD13 LEU A 87 6.009 1.768 1.475 1.00 0.32 H new ATOM 0 HD21 LEU A 87 4.506 3.236 -0.759 1.00 0.21 H new ATOM 0 HD22 LEU A 87 3.749 2.286 0.542 1.00 0.21 H new ATOM 0 HD23 LEU A 87 3.263 3.978 0.276 1.00 0.21 H new ATOM 1407 N LYS A 88 3.799 5.629 4.919 1.00 0.06 N ATOM 1408 CA LYS A 88 3.418 5.860 6.342 1.00 0.15 C ATOM 1409 C LYS A 88 2.040 6.523 6.399 1.00 0.16 C ATOM 1410 O LYS A 88 1.404 6.567 7.434 1.00 0.33 O ATOM 1411 CB LYS A 88 4.451 6.773 7.005 1.00 0.20 C ATOM 1412 CG LYS A 88 5.651 5.939 7.461 1.00 0.56 C ATOM 1413 CD LYS A 88 6.691 6.854 8.111 1.00 0.92 C ATOM 1414 CE LYS A 88 7.199 6.213 9.403 1.00 0.48 C ATOM 1415 NZ LYS A 88 6.076 6.099 10.377 1.00 1.06 N ATOM 0 H LYS A 88 4.707 6.006 4.645 1.00 0.06 H new ATOM 0 HA LYS A 88 3.385 4.906 6.869 1.00 0.15 H new ATOM 0 HB2 LYS A 88 4.775 7.543 6.304 1.00 0.20 H new ATOM 0 HB3 LYS A 88 4.005 7.285 7.858 1.00 0.20 H new ATOM 0 HG2 LYS A 88 5.329 5.176 8.170 1.00 0.56 H new ATOM 0 HG3 LYS A 88 6.090 5.419 6.610 1.00 0.56 H new ATOM 0 HD2 LYS A 88 7.521 7.023 7.425 1.00 0.92 H new ATOM 0 HD3 LYS A 88 6.251 7.828 8.325 1.00 0.92 H new ATOM 0 HE2 LYS A 88 7.614 5.227 9.194 1.00 0.48 H new ATOM 0 HE3 LYS A 88 8.003 6.814 9.828 1.00 0.48 H new ATOM 0 HZ1 LYS A 88 6.439 6.229 11.343 1.00 1.06 H new ATOM 0 HZ2 LYS A 88 5.364 6.829 10.173 1.00 1.06 H new ATOM 0 HZ3 LYS A 88 5.640 5.158 10.295 1.00 1.06 H new ATOM 1429 N ARG A 89 1.573 7.039 5.296 1.00 0.05 N ATOM 1430 CA ARG A 89 0.237 7.700 5.288 1.00 0.07 C ATOM 1431 C ARG A 89 -0.842 6.667 4.956 1.00 0.03 C ATOM 1432 O ARG A 89 -1.599 6.250 5.811 1.00 0.04 O ATOM 1433 CB ARG A 89 0.223 8.808 4.233 1.00 0.14 C ATOM 1434 CG ARG A 89 -0.987 9.716 4.462 1.00 0.11 C ATOM 1435 CD ARG A 89 -1.253 10.542 3.203 1.00 0.92 C ATOM 1436 NE ARG A 89 -0.048 11.355 2.878 1.00 1.94 N ATOM 1437 CZ ARG A 89 0.072 11.904 1.700 1.00 2.81 C ATOM 1438 NH1 ARG A 89 -0.866 11.741 0.807 1.00 3.04 N ATOM 1439 NH2 ARG A 89 1.127 12.615 1.415 1.00 3.94 N ATOM 0 H ARG A 89 2.059 7.032 4.399 1.00 0.05 H new ATOM 0 HA ARG A 89 0.039 8.130 6.270 1.00 0.07 H new ATOM 0 HB2 ARG A 89 1.143 9.390 4.289 1.00 0.14 H new ATOM 0 HB3 ARG A 89 0.181 8.373 3.234 1.00 0.14 H new ATOM 0 HG2 ARG A 89 -1.863 9.116 4.708 1.00 0.11 H new ATOM 0 HG3 ARG A 89 -0.804 10.376 5.310 1.00 0.11 H new ATOM 0 HD2 ARG A 89 -1.497 9.884 2.369 1.00 0.92 H new ATOM 0 HD3 ARG A 89 -2.113 11.193 3.358 1.00 0.92 H new ATOM 0 HE ARG A 89 0.684 11.483 3.577 1.00 1.94 H new ATOM 0 HH11 ARG A 89 -1.692 11.185 1.030 1.00 3.04 H new ATOM 0 HH12 ARG A 89 -0.773 12.170 -0.114 1.00 3.04 H new ATOM 0 HH21 ARG A 89 1.860 12.743 2.113 1.00 3.94 H new ATOM 0 HH22 ARG A 89 1.220 13.044 0.494 1.00 3.94 H new ATOM 1453 N LEU A 90 -0.921 6.251 3.722 1.00 0.07 N ATOM 1454 CA LEU A 90 -1.953 5.247 3.338 1.00 0.11 C ATOM 1455 C LEU A 90 -1.813 4.003 4.219 1.00 0.11 C ATOM 1456 O LEU A 90 -2.788 3.381 4.588 1.00 0.34 O ATOM 1457 CB LEU A 90 -1.769 4.858 1.869 1.00 0.16 C ATOM 1458 CG LEU A 90 -0.365 4.286 1.658 1.00 0.14 C ATOM 1459 CD1 LEU A 90 -0.446 2.763 1.537 1.00 0.15 C ATOM 1460 CD2 LEU A 90 0.232 4.867 0.374 1.00 0.18 C ATOM 0 H LEU A 90 -0.315 6.563 2.963 1.00 0.07 H new ATOM 0 HA LEU A 90 -2.945 5.678 3.477 1.00 0.11 H new ATOM 0 HB2 LEU A 90 -2.519 4.121 1.581 1.00 0.16 H new ATOM 0 HB3 LEU A 90 -1.917 5.729 1.231 1.00 0.16 H new ATOM 0 HG LEU A 90 0.266 4.549 2.507 1.00 0.14 H new ATOM 0 HD11 LEU A 90 0.554 2.356 1.387 1.00 0.15 H new ATOM 0 HD12 LEU A 90 -0.873 2.348 2.450 1.00 0.15 H new ATOM 0 HD13 LEU A 90 -1.077 2.498 0.688 1.00 0.15 H new ATOM 0 HD21 LEU A 90 1.232 4.461 0.222 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -0.400 4.602 -0.474 1.00 0.18 H new ATOM 0 HD23 LEU A 90 0.290 5.952 0.458 1.00 0.18 H new ATOM 1472 N ASP A 91 -0.607 3.638 4.562 1.00 0.19 N ATOM 1473 CA ASP A 91 -0.411 2.436 5.419 1.00 0.17 C ATOM 1474 C ASP A 91 -1.356 2.508 6.619 1.00 0.14 C ATOM 1475 O ASP A 91 -1.836 1.503 7.106 1.00 0.19 O ATOM 1476 CB ASP A 91 1.038 2.391 5.911 1.00 0.21 C ATOM 1477 CG ASP A 91 1.213 1.218 6.876 1.00 0.38 C ATOM 1478 OD1 ASP A 91 0.967 0.095 6.465 1.00 1.45 O ATOM 1479 OD2 ASP A 91 1.591 1.460 8.011 1.00 0.82 O ATOM 0 H ASP A 91 0.249 4.120 4.286 1.00 0.19 H new ATOM 0 HA ASP A 91 -0.626 1.537 4.841 1.00 0.17 H new ATOM 0 HB2 ASP A 91 1.717 2.284 5.065 1.00 0.21 H new ATOM 0 HB3 ASP A 91 1.293 3.326 6.409 1.00 0.21 H new ATOM 1484 N ARG A 92 -1.628 3.690 7.099 1.00 0.17 N ATOM 1485 CA ARG A 92 -2.542 3.829 8.267 1.00 0.15 C ATOM 1486 C ARG A 92 -3.990 3.858 7.779 1.00 0.13 C ATOM 1487 O ARG A 92 -4.863 3.232 8.349 1.00 0.29 O ATOM 1488 CB ARG A 92 -2.230 5.131 9.005 1.00 0.24 C ATOM 1489 CG ARG A 92 -0.928 4.970 9.789 1.00 0.18 C ATOM 1490 CD ARG A 92 -1.251 4.705 11.260 1.00 0.45 C ATOM 1491 NE ARG A 92 -2.375 3.731 11.357 1.00 2.05 N ATOM 1492 CZ ARG A 92 -2.621 3.130 12.488 1.00 2.52 C ATOM 1493 NH1 ARG A 92 -1.883 3.383 13.535 1.00 1.51 N ATOM 1494 NH2 ARG A 92 -3.605 2.277 12.574 1.00 4.21 N ATOM 0 H ARG A 92 -1.256 4.566 6.732 1.00 0.17 H new ATOM 0 HA ARG A 92 -2.401 2.984 8.941 1.00 0.15 H new ATOM 0 HB2 ARG A 92 -2.140 5.952 8.294 1.00 0.24 H new ATOM 0 HB3 ARG A 92 -3.046 5.383 9.682 1.00 0.24 H new ATOM 0 HG2 ARG A 92 -0.343 4.146 9.379 1.00 0.18 H new ATOM 0 HG3 ARG A 92 -0.320 5.870 9.695 1.00 0.18 H new ATOM 0 HD2 ARG A 92 -0.372 4.313 11.771 1.00 0.45 H new ATOM 0 HD3 ARG A 92 -1.520 5.637 11.757 1.00 0.45 H new ATOM 0 HE ARG A 92 -2.952 3.535 10.539 1.00 2.05 H new ATOM 0 HH11 ARG A 92 -1.115 4.050 13.468 1.00 1.51 H new ATOM 0 HH12 ARG A 92 -2.075 2.913 14.420 1.00 1.51 H new ATOM 0 HH21 ARG A 92 -4.182 2.080 11.756 1.00 4.21 H new ATOM 0 HH22 ARG A 92 -3.797 1.807 13.459 1.00 4.21 H new ATOM 1508 N ASN A 93 -4.249 4.583 6.730 1.00 0.05 N ATOM 1509 CA ASN A 93 -5.639 4.660 6.198 1.00 0.09 C ATOM 1510 C ASN A 93 -6.178 3.247 5.966 1.00 0.07 C ATOM 1511 O ASN A 93 -7.257 2.905 6.410 1.00 0.15 O ATOM 1512 CB ASN A 93 -5.635 5.428 4.873 1.00 0.16 C ATOM 1513 CG ASN A 93 -4.997 6.802 5.081 1.00 0.19 C ATOM 1514 OD1 ASN A 93 -3.966 6.917 5.713 1.00 0.99 O ATOM 1515 ND2 ASN A 93 -5.571 7.858 4.572 1.00 1.21 N ATOM 0 H ASN A 93 -3.557 5.128 6.215 1.00 0.05 H new ATOM 0 HA ASN A 93 -6.275 5.176 6.917 1.00 0.09 H new ATOM 0 HB2 ASN A 93 -5.082 4.869 4.118 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -6.654 5.541 4.503 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.154 8.779 4.705 1.00 1.21 H new ATOM 0 HD22 ASN A 93 -6.437 7.762 4.041 1.00 1.21 H new ATOM 1522 N LEU A 94 -5.437 2.425 5.277 1.00 0.05 N ATOM 1523 CA LEU A 94 -5.910 1.035 5.020 1.00 0.10 C ATOM 1524 C LEU A 94 -6.268 0.366 6.349 1.00 0.08 C ATOM 1525 O LEU A 94 -7.420 0.105 6.633 1.00 0.10 O ATOM 1526 CB LEU A 94 -4.802 0.236 4.328 1.00 0.15 C ATOM 1527 CG LEU A 94 -4.400 0.930 3.024 1.00 0.20 C ATOM 1528 CD1 LEU A 94 -3.259 0.155 2.365 1.00 0.19 C ATOM 1529 CD2 LEU A 94 -5.598 0.976 2.070 1.00 0.20 C ATOM 0 H LEU A 94 -4.525 2.654 4.881 1.00 0.05 H new ATOM 0 HA LEU A 94 -6.790 1.064 4.378 1.00 0.10 H new ATOM 0 HB2 LEU A 94 -3.938 0.150 4.986 1.00 0.15 H new ATOM 0 HB3 LEU A 94 -5.147 -0.777 4.120 1.00 0.15 H new ATOM 0 HG LEU A 94 -4.074 1.947 3.245 1.00 0.20 H new ATOM 0 HD11 LEU A 94 -2.972 0.649 1.436 1.00 0.19 H new ATOM 0 HD12 LEU A 94 -2.403 0.125 3.039 1.00 0.19 H new ATOM 0 HD13 LEU A 94 -3.587 -0.862 2.149 1.00 0.19 H new ATOM 0 HD21 LEU A 94 -5.307 1.471 1.144 1.00 0.20 H new ATOM 0 HD22 LEU A 94 -5.928 -0.040 1.851 1.00 0.20 H new ATOM 0 HD23 LEU A 94 -6.413 1.529 2.536 1.00 0.20 H new ATOM 1541 N TRP A 95 -5.290 0.086 7.165 1.00 0.15 N ATOM 1542 CA TRP A 95 -5.576 -0.567 8.474 1.00 0.16 C ATOM 1543 C TRP A 95 -6.661 0.223 9.209 1.00 0.21 C ATOM 1544 O TRP A 95 -7.202 -0.224 10.200 1.00 0.26 O ATOM 1545 CB TRP A 95 -4.302 -0.592 9.321 1.00 0.13 C ATOM 1546 CG TRP A 95 -4.612 -1.157 10.670 1.00 0.18 C ATOM 1547 CD1 TRP A 95 -5.075 -0.445 11.722 1.00 0.33 C ATOM 1548 CD2 TRP A 95 -4.492 -2.535 11.129 1.00 0.13 C ATOM 1549 NE1 TRP A 95 -5.247 -1.297 12.798 1.00 0.34 N ATOM 1550 CE2 TRP A 95 -4.900 -2.596 12.483 1.00 0.20 C ATOM 1551 CE3 TRP A 95 -4.072 -3.725 10.508 1.00 0.19 C ATOM 1552 CZ2 TRP A 95 -4.892 -3.795 13.195 1.00 0.17 C ATOM 1553 CZ3 TRP A 95 -4.063 -4.934 11.223 1.00 0.25 C ATOM 1554 CH2 TRP A 95 -4.473 -4.969 12.564 1.00 0.17 C ATOM 0 H TRP A 95 -4.306 0.281 6.983 1.00 0.15 H new ATOM 0 HA TRP A 95 -5.919 -1.588 8.305 1.00 0.16 H new ATOM 0 HB2 TRP A 95 -3.538 -1.194 8.830 1.00 0.13 H new ATOM 0 HB3 TRP A 95 -3.899 0.416 9.421 1.00 0.13 H new ATOM 0 HD1 TRP A 95 -5.277 0.616 11.722 1.00 0.33 H new ATOM 0 HE1 TRP A 95 -5.589 -1.002 13.713 1.00 0.34 H new ATOM 0 HE3 TRP A 95 -3.755 -3.709 9.476 1.00 0.19 H new ATOM 0 HZ2 TRP A 95 -5.208 -3.816 14.228 1.00 0.17 H new ATOM 0 HZ3 TRP A 95 -3.738 -5.842 10.737 1.00 0.25 H new ATOM 0 HH2 TRP A 95 -4.465 -5.902 13.108 1.00 0.17 H new ATOM 1565 N GLY A 96 -6.984 1.393 8.730 1.00 0.22 N ATOM 1566 CA GLY A 96 -8.034 2.210 9.403 1.00 0.28 C ATOM 1567 C GLY A 96 -9.406 1.584 9.152 1.00 0.32 C ATOM 1568 O GLY A 96 -10.047 1.084 10.057 1.00 0.31 O ATOM 0 H GLY A 96 -6.567 1.819 7.902 1.00 0.22 H new ATOM 0 HA2 GLY A 96 -7.837 2.264 10.474 1.00 0.28 H new ATOM 0 HA3 GLY A 96 -8.014 3.232 9.024 1.00 0.28 H new ATOM 1572 N LEU A 97 -9.866 1.607 7.931 1.00 0.36 N ATOM 1573 CA LEU A 97 -11.198 1.013 7.625 1.00 0.42 C ATOM 1574 C LEU A 97 -11.196 -0.472 7.993 1.00 0.37 C ATOM 1575 O LEU A 97 -12.189 -1.157 7.854 1.00 0.42 O ATOM 1576 CB LEU A 97 -11.514 1.178 6.130 1.00 0.54 C ATOM 1577 CG LEU A 97 -10.325 0.717 5.269 1.00 0.48 C ATOM 1578 CD1 LEU A 97 -10.161 -0.807 5.336 1.00 0.52 C ATOM 1579 CD2 LEU A 97 -10.570 1.129 3.816 1.00 0.60 C ATOM 0 H LEU A 97 -9.377 2.011 7.132 1.00 0.36 H new ATOM 0 HA LEU A 97 -11.962 1.528 8.208 1.00 0.42 H new ATOM 0 HB2 LEU A 97 -12.401 0.598 5.874 1.00 0.54 H new ATOM 0 HB3 LEU A 97 -11.743 2.222 5.914 1.00 0.54 H new ATOM 0 HG LEU A 97 -9.417 1.184 5.650 1.00 0.48 H new ATOM 0 HD11 LEU A 97 -9.314 -1.109 4.720 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -9.984 -1.109 6.368 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -11.068 -1.287 4.968 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -9.731 0.806 3.200 1.00 0.60 H new ATOM 0 HD22 LEU A 97 -11.487 0.662 3.455 1.00 0.60 H new ATOM 0 HD23 LEU A 97 -10.667 2.213 3.757 1.00 0.60 H new ATOM 1591 N ALA A 98 -10.085 -0.975 8.461 1.00 0.27 N ATOM 1592 CA ALA A 98 -10.021 -2.414 8.837 1.00 0.28 C ATOM 1593 C ALA A 98 -10.622 -2.606 10.231 1.00 0.20 C ATOM 1594 O ALA A 98 -11.688 -3.168 10.386 1.00 0.19 O ATOM 1595 CB ALA A 98 -8.561 -2.874 8.843 1.00 0.32 C ATOM 0 H ALA A 98 -9.221 -0.451 8.598 1.00 0.27 H new ATOM 0 HA ALA A 98 -10.586 -3.003 8.115 1.00 0.28 H new ATOM 0 HB1 ALA A 98 -8.513 -3.928 9.118 1.00 0.32 H new ATOM 0 HB2 ALA A 98 -8.133 -2.738 7.850 1.00 0.32 H new ATOM 0 HB3 ALA A 98 -7.997 -2.284 9.565 1.00 0.32 H new ATOM 1601 N GLY A 99 -9.947 -2.143 11.247 1.00 0.18 N ATOM 1602 CA GLY A 99 -10.480 -2.299 12.630 1.00 0.18 C ATOM 1603 C GLY A 99 -10.308 -3.750 13.083 1.00 0.24 C ATOM 1604 O GLY A 99 -10.932 -4.194 14.027 1.00 0.48 O ATOM 0 H GLY A 99 -9.049 -1.663 11.179 1.00 0.18 H new ATOM 0 HA2 GLY A 99 -9.955 -1.630 13.311 1.00 0.18 H new ATOM 0 HA3 GLY A 99 -11.533 -2.020 12.659 1.00 0.18 H new ATOM 1608 N LEU A 100 -9.466 -4.493 12.418 1.00 0.25 N ATOM 1609 CA LEU A 100 -9.256 -5.915 12.812 1.00 0.25 C ATOM 1610 C LEU A 100 -8.176 -5.989 13.892 1.00 0.25 C ATOM 1611 O LEU A 100 -7.189 -5.283 13.847 1.00 0.37 O ATOM 1612 CB LEU A 100 -8.810 -6.721 11.589 1.00 0.27 C ATOM 1613 CG LEU A 100 -9.972 -7.583 11.090 1.00 0.36 C ATOM 1614 CD1 LEU A 100 -9.657 -8.097 9.684 1.00 0.46 C ATOM 1615 CD2 LEU A 100 -10.169 -8.772 12.032 1.00 0.40 C ATOM 0 H LEU A 100 -8.915 -4.177 11.620 1.00 0.25 H new ATOM 0 HA LEU A 100 -10.187 -6.327 13.200 1.00 0.25 H new ATOM 0 HB2 LEU A 100 -8.478 -6.048 10.799 1.00 0.27 H new ATOM 0 HB3 LEU A 100 -7.960 -7.353 11.847 1.00 0.27 H new ATOM 0 HG LEU A 100 -10.882 -6.984 11.065 1.00 0.36 H new ATOM 0 HD11 LEU A 100 -10.484 -8.711 9.327 1.00 0.46 H new ATOM 0 HD12 LEU A 100 -9.516 -7.252 9.011 1.00 0.46 H new ATOM 0 HD13 LEU A 100 -8.746 -8.695 9.711 1.00 0.46 H new ATOM 0 HD21 LEU A 100 -10.997 -9.385 11.676 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -9.259 -9.371 12.057 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -10.392 -8.408 13.035 1.00 0.40 H new ATOM 1627 N ASN A 101 -8.356 -6.839 14.867 1.00 0.32 N ATOM 1628 CA ASN A 101 -7.340 -6.958 15.950 1.00 0.30 C ATOM 1629 C ASN A 101 -6.316 -8.032 15.573 1.00 0.21 C ATOM 1630 O ASN A 101 -5.173 -7.739 15.286 1.00 0.17 O ATOM 1631 CB ASN A 101 -8.030 -7.348 17.258 1.00 0.35 C ATOM 1632 CG ASN A 101 -8.689 -6.114 17.875 1.00 1.01 C ATOM 1633 OD1 ASN A 101 -8.817 -6.017 19.079 1.00 1.22 O ATOM 1634 ND2 ASN A 101 -9.116 -5.158 17.095 1.00 1.87 N ATOM 0 H ASN A 101 -9.163 -7.456 14.960 1.00 0.32 H new ATOM 0 HA ASN A 101 -6.833 -6.002 16.079 1.00 0.30 H new ATOM 0 HB2 ASN A 101 -8.779 -8.118 17.071 1.00 0.35 H new ATOM 0 HB3 ASN A 101 -7.304 -7.771 17.952 1.00 0.35 H new ATOM 0 HD21 ASN A 101 -9.557 -4.330 17.497 1.00 1.87 H new ATOM 0 HD22 ASN A 101 -9.009 -5.239 16.084 1.00 1.87 H new ATOM 1641 N SER A 102 -6.720 -9.273 15.571 1.00 0.21 N ATOM 1642 CA SER A 102 -5.769 -10.363 15.213 1.00 0.15 C ATOM 1643 C SER A 102 -5.793 -10.584 13.700 1.00 0.17 C ATOM 1644 O SER A 102 -6.840 -10.725 13.100 1.00 0.27 O ATOM 1645 CB SER A 102 -6.184 -11.653 15.923 1.00 0.20 C ATOM 1646 OG SER A 102 -5.973 -12.756 15.050 1.00 1.52 O ATOM 0 H SER A 102 -7.665 -9.579 15.801 1.00 0.21 H new ATOM 0 HA SER A 102 -4.762 -10.084 15.523 1.00 0.15 H new ATOM 0 HB2 SER A 102 -5.605 -11.782 16.837 1.00 0.20 H new ATOM 0 HB3 SER A 102 -7.233 -11.600 16.215 1.00 0.20 H new ATOM 0 HG SER A 102 -6.236 -13.585 15.501 1.00 1.52 H new ATOM 1652 N CYS A 103 -4.647 -10.615 13.077 1.00 0.11 N ATOM 1653 CA CYS A 103 -4.605 -10.826 11.603 1.00 0.13 C ATOM 1654 C CYS A 103 -3.179 -11.197 11.174 1.00 0.09 C ATOM 1655 O CYS A 103 -2.524 -10.426 10.502 1.00 0.21 O ATOM 1656 CB CYS A 103 -5.022 -9.534 10.899 1.00 0.29 C ATOM 1657 SG CYS A 103 -4.736 -9.697 9.119 1.00 0.15 S ATOM 0 H CYS A 103 -3.738 -10.503 13.525 1.00 0.11 H new ATOM 0 HA CYS A 103 -5.286 -11.633 11.332 1.00 0.13 H new ATOM 0 HB2 CYS A 103 -6.074 -9.326 11.091 1.00 0.29 H new ATOM 0 HB3 CYS A 103 -4.453 -8.692 11.294 1.00 0.29 H new ATOM 1662 N PRO A 104 -2.734 -12.366 11.573 1.00 0.16 N ATOM 1663 CA PRO A 104 -1.379 -12.837 11.230 1.00 0.31 C ATOM 1664 C PRO A 104 -1.243 -13.000 9.713 1.00 0.29 C ATOM 1665 O PRO A 104 -2.194 -13.318 9.027 1.00 0.17 O ATOM 1666 CB PRO A 104 -1.244 -14.196 11.932 1.00 0.43 C ATOM 1667 CG PRO A 104 -2.576 -14.478 12.671 1.00 0.40 C ATOM 1668 CD PRO A 104 -3.527 -13.305 12.391 1.00 0.24 C ATOM 0 HA PRO A 104 -0.605 -12.136 11.543 1.00 0.31 H new ATOM 0 HB2 PRO A 104 -1.035 -14.982 11.207 1.00 0.43 H new ATOM 0 HB3 PRO A 104 -0.412 -14.182 12.636 1.00 0.43 H new ATOM 0 HG2 PRO A 104 -3.013 -15.415 12.326 1.00 0.40 H new ATOM 0 HG3 PRO A 104 -2.404 -14.582 13.742 1.00 0.40 H new ATOM 0 HD2 PRO A 104 -4.419 -13.637 11.860 1.00 0.24 H new ATOM 0 HD3 PRO A 104 -3.863 -12.838 13.317 1.00 0.24 H new ATOM 1676 N VAL A 105 -0.069 -12.785 9.187 1.00 0.44 N ATOM 1677 CA VAL A 105 0.127 -12.927 7.716 1.00 0.44 C ATOM 1678 C VAL A 105 0.603 -14.346 7.400 1.00 0.53 C ATOM 1679 O VAL A 105 1.379 -14.929 8.133 1.00 0.81 O ATOM 1680 CB VAL A 105 1.175 -11.920 7.241 1.00 0.60 C ATOM 1681 CG1 VAL A 105 2.558 -12.356 7.726 1.00 0.75 C ATOM 1682 CG2 VAL A 105 1.167 -11.861 5.712 1.00 0.71 C ATOM 0 H VAL A 105 0.764 -12.517 9.712 1.00 0.44 H new ATOM 0 HA VAL A 105 -0.816 -12.737 7.204 1.00 0.44 H new ATOM 0 HB VAL A 105 0.942 -10.935 7.645 1.00 0.60 H new ATOM 0 HG11 VAL A 105 3.305 -11.638 7.387 1.00 0.75 H new ATOM 0 HG12 VAL A 105 2.564 -12.400 8.815 1.00 0.75 H new ATOM 0 HG13 VAL A 105 2.792 -13.341 7.322 1.00 0.75 H new ATOM 0 HG21 VAL A 105 1.914 -11.143 5.372 1.00 0.71 H new ATOM 0 HG22 VAL A 105 1.400 -12.846 5.309 1.00 0.71 H new ATOM 0 HG23 VAL A 105 0.181 -11.551 5.365 1.00 0.71 H new ATOM 1692 N LYS A 106 0.147 -14.908 6.315 1.00 0.35 N ATOM 1693 CA LYS A 106 0.574 -16.289 5.954 1.00 0.43 C ATOM 1694 C LYS A 106 1.799 -16.220 5.040 1.00 0.56 C ATOM 1695 O LYS A 106 2.846 -15.738 5.425 1.00 0.61 O ATOM 1696 CB LYS A 106 -0.567 -17.003 5.225 1.00 0.41 C ATOM 1697 CG LYS A 106 -1.685 -17.325 6.220 1.00 1.35 C ATOM 1698 CD LYS A 106 -2.903 -17.856 5.463 1.00 1.69 C ATOM 1699 CE LYS A 106 -2.518 -19.124 4.699 1.00 0.95 C ATOM 1700 NZ LYS A 106 -3.732 -19.963 4.486 1.00 1.49 N ATOM 0 H LYS A 106 -0.503 -14.470 5.662 1.00 0.35 H new ATOM 0 HA LYS A 106 0.826 -16.840 6.860 1.00 0.43 H new ATOM 0 HB2 LYS A 106 -0.950 -16.373 4.422 1.00 0.41 H new ATOM 0 HB3 LYS A 106 -0.201 -17.920 4.764 1.00 0.41 H new ATOM 0 HG2 LYS A 106 -1.341 -18.065 6.943 1.00 1.35 H new ATOM 0 HG3 LYS A 106 -1.954 -16.431 6.783 1.00 1.35 H new ATOM 0 HD2 LYS A 106 -3.712 -18.071 6.161 1.00 1.69 H new ATOM 0 HD3 LYS A 106 -3.272 -17.100 4.770 1.00 1.69 H new ATOM 0 HE2 LYS A 106 -2.071 -18.862 3.740 1.00 0.95 H new ATOM 0 HE3 LYS A 106 -1.769 -19.685 5.258 1.00 0.95 H new ATOM 0 HZ1 LYS A 106 -3.471 -20.825 3.967 1.00 1.49 H new ATOM 0 HZ2 LYS A 106 -4.140 -20.223 5.407 1.00 1.49 H new ATOM 0 HZ3 LYS A 106 -4.433 -19.426 3.936 1.00 1.49 H new ATOM 1714 N GLU A 107 1.675 -16.699 3.831 1.00 0.63 N ATOM 1715 CA GLU A 107 2.829 -16.663 2.887 1.00 0.75 C ATOM 1716 C GLU A 107 2.321 -16.379 1.473 1.00 0.58 C ATOM 1717 O GLU A 107 1.162 -16.076 1.268 1.00 0.64 O ATOM 1718 CB GLU A 107 3.548 -18.015 2.907 1.00 0.92 C ATOM 1719 CG GLU A 107 4.557 -18.043 4.056 1.00 1.36 C ATOM 1720 CD GLU A 107 5.746 -17.142 3.714 1.00 3.07 C ATOM 1721 OE1 GLU A 107 5.822 -16.701 2.579 1.00 3.92 O ATOM 1722 OE2 GLU A 107 6.559 -16.909 4.593 1.00 3.84 O ATOM 0 H GLU A 107 0.822 -17.114 3.456 1.00 0.63 H new ATOM 0 HA GLU A 107 3.522 -15.878 3.190 1.00 0.75 H new ATOM 0 HB2 GLU A 107 2.824 -18.821 3.026 1.00 0.92 H new ATOM 0 HB3 GLU A 107 4.058 -18.181 1.958 1.00 0.92 H new ATOM 0 HG2 GLU A 107 4.084 -17.704 4.978 1.00 1.36 H new ATOM 0 HG3 GLU A 107 4.899 -19.064 4.229 1.00 1.36 H new ATOM 1729 N ALA A 108 3.180 -16.471 0.494 1.00 0.43 N ATOM 1730 CA ALA A 108 2.744 -16.204 -0.907 1.00 0.36 C ATOM 1731 C ALA A 108 3.963 -16.210 -1.830 1.00 0.38 C ATOM 1732 O ALA A 108 5.076 -16.447 -1.403 1.00 0.41 O ATOM 1733 CB ALA A 108 2.057 -14.839 -0.975 1.00 0.48 C ATOM 0 H ALA A 108 4.163 -16.719 0.603 1.00 0.43 H new ATOM 0 HA ALA A 108 2.045 -16.978 -1.225 1.00 0.36 H new ATOM 0 HB1 ALA A 108 1.738 -14.643 -1.999 1.00 0.48 H new ATOM 0 HB2 ALA A 108 1.188 -14.836 -0.317 1.00 0.48 H new ATOM 0 HB3 ALA A 108 2.755 -14.064 -0.658 1.00 0.48 H new ATOM 1739 N ASP A 109 3.764 -15.950 -3.093 1.00 0.38 N ATOM 1740 CA ASP A 109 4.913 -15.939 -4.042 1.00 0.40 C ATOM 1741 C ASP A 109 5.688 -14.630 -3.890 1.00 0.38 C ATOM 1742 O ASP A 109 6.207 -14.322 -2.836 1.00 0.41 O ATOM 1743 CB ASP A 109 4.390 -16.059 -5.475 1.00 0.40 C ATOM 1744 CG ASP A 109 3.456 -17.267 -5.580 1.00 0.36 C ATOM 1745 OD1 ASP A 109 2.270 -17.094 -5.356 1.00 1.21 O ATOM 1746 OD2 ASP A 109 3.944 -18.343 -5.882 1.00 1.18 O ATOM 0 H ASP A 109 2.856 -15.745 -3.509 1.00 0.38 H new ATOM 0 HA ASP A 109 5.573 -16.778 -3.824 1.00 0.40 H new ATOM 0 HB2 ASP A 109 3.859 -15.150 -5.756 1.00 0.40 H new ATOM 0 HB3 ASP A 109 5.223 -16.169 -6.169 1.00 0.40 H new ATOM 1751 N GLN A 110 5.772 -13.854 -4.937 1.00 0.36 N ATOM 1752 CA GLN A 110 6.514 -12.566 -4.852 1.00 0.34 C ATOM 1753 C GLN A 110 5.989 -11.604 -5.920 1.00 0.31 C ATOM 1754 O GLN A 110 5.518 -12.015 -6.962 1.00 0.44 O ATOM 1755 CB GLN A 110 8.005 -12.819 -5.081 1.00 0.37 C ATOM 1756 CG GLN A 110 8.778 -12.521 -3.796 1.00 0.57 C ATOM 1757 CD GLN A 110 10.234 -12.960 -3.962 1.00 0.64 C ATOM 1758 OE1 GLN A 110 11.112 -12.141 -4.144 1.00 1.44 O ATOM 1759 NE2 GLN A 110 10.530 -14.230 -3.905 1.00 1.16 N ATOM 0 H GLN A 110 5.358 -14.057 -5.847 1.00 0.36 H new ATOM 0 HA GLN A 110 6.368 -12.128 -3.865 1.00 0.34 H new ATOM 0 HB2 GLN A 110 8.167 -13.854 -5.383 1.00 0.37 H new ATOM 0 HB3 GLN A 110 8.371 -12.189 -5.892 1.00 0.37 H new ATOM 0 HG2 GLN A 110 8.732 -11.456 -3.570 1.00 0.57 H new ATOM 0 HG3 GLN A 110 8.323 -13.045 -2.956 1.00 0.57 H new ATOM 0 HE21 GLN A 110 9.794 -14.919 -3.752 1.00 1.16 H new ATOM 0 HE22 GLN A 110 11.498 -14.533 -4.013 1.00 1.16 H new ATOM 1768 N SER A 111 6.068 -10.325 -5.671 1.00 0.18 N ATOM 1769 CA SER A 111 5.573 -9.339 -6.673 1.00 0.16 C ATOM 1770 C SER A 111 6.415 -8.065 -6.594 1.00 0.14 C ATOM 1771 O SER A 111 7.014 -7.767 -5.578 1.00 0.11 O ATOM 1772 CB SER A 111 4.110 -9.003 -6.378 1.00 0.13 C ATOM 1773 OG SER A 111 3.987 -8.599 -5.020 1.00 0.25 O ATOM 0 H SER A 111 6.454 -9.921 -4.818 1.00 0.18 H new ATOM 0 HA SER A 111 5.653 -9.766 -7.673 1.00 0.16 H new ATOM 0 HB2 SER A 111 3.767 -8.207 -7.039 1.00 0.13 H new ATOM 0 HB3 SER A 111 3.479 -9.871 -6.570 1.00 0.13 H new ATOM 0 HG SER A 111 3.051 -8.381 -4.827 1.00 0.25 H new ATOM 1779 N THR A 112 6.466 -7.310 -7.656 1.00 0.18 N ATOM 1780 CA THR A 112 7.270 -6.054 -7.640 1.00 0.17 C ATOM 1781 C THR A 112 6.421 -4.912 -7.080 1.00 0.14 C ATOM 1782 O THR A 112 5.259 -4.773 -7.402 1.00 0.20 O ATOM 1783 CB THR A 112 7.709 -5.711 -9.066 1.00 0.21 C ATOM 1784 OG1 THR A 112 6.566 -5.643 -9.907 1.00 0.37 O ATOM 1785 CG2 THR A 112 8.661 -6.791 -9.582 1.00 0.29 C ATOM 0 H THR A 112 5.986 -7.507 -8.534 1.00 0.18 H new ATOM 0 HA THR A 112 8.150 -6.194 -7.012 1.00 0.17 H new ATOM 0 HB THR A 112 8.220 -4.748 -9.068 1.00 0.21 H new ATOM 0 HG1 THR A 112 6.553 -6.419 -10.505 1.00 0.37 H new ATOM 0 HG21 THR A 112 8.973 -6.546 -10.597 1.00 0.29 H new ATOM 0 HG22 THR A 112 9.537 -6.843 -8.936 1.00 0.29 H new ATOM 0 HG23 THR A 112 8.152 -7.755 -9.581 1.00 0.29 H new ATOM 1793 N LEU A 113 6.993 -4.092 -6.241 1.00 0.10 N ATOM 1794 CA LEU A 113 6.218 -2.959 -5.660 1.00 0.12 C ATOM 1795 C LEU A 113 5.468 -2.234 -6.779 1.00 0.14 C ATOM 1796 O LEU A 113 4.407 -1.680 -6.570 1.00 0.15 O ATOM 1797 CB LEU A 113 7.182 -1.986 -4.972 1.00 0.16 C ATOM 1798 CG LEU A 113 6.393 -0.872 -4.269 1.00 0.15 C ATOM 1799 CD1 LEU A 113 5.527 -1.464 -3.152 1.00 0.26 C ATOM 1800 CD2 LEU A 113 7.373 0.138 -3.666 1.00 0.27 C ATOM 0 H LEU A 113 7.963 -4.158 -5.933 1.00 0.10 H new ATOM 0 HA LEU A 113 5.503 -3.338 -4.930 1.00 0.12 H new ATOM 0 HB2 LEU A 113 7.796 -2.521 -4.247 1.00 0.16 H new ATOM 0 HB3 LEU A 113 7.861 -1.554 -5.707 1.00 0.16 H new ATOM 0 HG LEU A 113 5.749 -0.377 -4.996 1.00 0.15 H new ATOM 0 HD11 LEU A 113 4.972 -0.665 -2.660 1.00 0.26 H new ATOM 0 HD12 LEU A 113 4.827 -2.184 -3.577 1.00 0.26 H new ATOM 0 HD13 LEU A 113 6.165 -1.964 -2.423 1.00 0.26 H new ATOM 0 HD21 LEU A 113 6.817 0.931 -3.166 1.00 0.27 H new ATOM 0 HD22 LEU A 113 8.016 -0.365 -2.944 1.00 0.27 H new ATOM 0 HD23 LEU A 113 7.985 0.569 -4.458 1.00 0.27 H new ATOM 1812 N GLU A 114 6.009 -2.231 -7.966 1.00 0.16 N ATOM 1813 CA GLU A 114 5.326 -1.540 -9.096 1.00 0.20 C ATOM 1814 C GLU A 114 4.060 -2.311 -9.475 1.00 0.20 C ATOM 1815 O GLU A 114 2.955 -1.854 -9.260 1.00 0.23 O ATOM 1816 CB GLU A 114 6.268 -1.480 -10.300 1.00 0.25 C ATOM 1817 CG GLU A 114 5.646 -0.604 -11.391 1.00 0.29 C ATOM 1818 CD GLU A 114 5.598 -1.383 -12.706 1.00 1.23 C ATOM 1819 OE1 GLU A 114 4.852 -2.347 -12.774 1.00 2.74 O ATOM 1820 OE2 GLU A 114 6.307 -1.004 -13.623 1.00 1.01 O ATOM 0 H GLU A 114 6.895 -2.677 -8.203 1.00 0.16 H new ATOM 0 HA GLU A 114 5.057 -0.528 -8.795 1.00 0.20 H new ATOM 0 HB2 GLU A 114 7.234 -1.074 -10.000 1.00 0.25 H new ATOM 0 HB3 GLU A 114 6.449 -2.484 -10.684 1.00 0.25 H new ATOM 0 HG2 GLU A 114 4.641 -0.300 -11.099 1.00 0.29 H new ATOM 0 HG3 GLU A 114 6.230 0.308 -11.517 1.00 0.29 H new ATOM 1827 N ASN A 115 4.211 -3.480 -10.037 1.00 0.19 N ATOM 1828 CA ASN A 115 3.017 -4.278 -10.428 1.00 0.19 C ATOM 1829 C ASN A 115 2.078 -4.414 -9.228 1.00 0.18 C ATOM 1830 O ASN A 115 0.890 -4.180 -9.326 1.00 0.29 O ATOM 1831 CB ASN A 115 3.459 -5.669 -10.888 1.00 0.19 C ATOM 1832 CG ASN A 115 4.035 -5.581 -12.303 1.00 0.25 C ATOM 1833 OD1 ASN A 115 3.341 -5.827 -13.269 1.00 1.13 O ATOM 1834 ND2 ASN A 115 5.284 -5.237 -12.466 1.00 0.82 N ATOM 0 H ASN A 115 5.110 -3.916 -10.242 1.00 0.19 H new ATOM 0 HA ASN A 115 2.496 -3.774 -11.242 1.00 0.19 H new ATOM 0 HB2 ASN A 115 4.207 -6.069 -10.204 1.00 0.19 H new ATOM 0 HB3 ASN A 115 2.612 -6.355 -10.871 1.00 0.19 H new ATOM 0 HD21 ASN A 115 5.677 -5.175 -13.405 1.00 0.82 H new ATOM 0 HD22 ASN A 115 5.866 -5.031 -11.654 1.00 0.82 H new ATOM 1841 N PHE A 116 2.602 -4.791 -8.093 1.00 0.11 N ATOM 1842 CA PHE A 116 1.740 -4.941 -6.887 1.00 0.14 C ATOM 1843 C PHE A 116 0.840 -3.711 -6.745 1.00 0.15 C ATOM 1844 O PHE A 116 -0.335 -3.822 -6.460 1.00 0.14 O ATOM 1845 CB PHE A 116 2.623 -5.074 -5.644 1.00 0.18 C ATOM 1846 CG PHE A 116 1.757 -5.063 -4.407 1.00 0.21 C ATOM 1847 CD1 PHE A 116 1.450 -3.852 -3.777 1.00 0.13 C ATOM 1848 CD2 PHE A 116 1.259 -6.267 -3.892 1.00 0.34 C ATOM 1849 CE1 PHE A 116 0.648 -3.843 -2.630 1.00 0.16 C ATOM 1850 CE2 PHE A 116 0.456 -6.258 -2.745 1.00 0.38 C ATOM 1851 CZ PHE A 116 0.150 -5.045 -2.114 1.00 0.28 C ATOM 0 H PHE A 116 3.590 -5.001 -7.949 1.00 0.11 H new ATOM 0 HA PHE A 116 1.121 -5.832 -6.991 1.00 0.14 H new ATOM 0 HB2 PHE A 116 3.197 -5.999 -5.690 1.00 0.18 H new ATOM 0 HB3 PHE A 116 3.341 -4.255 -5.606 1.00 0.18 H new ATOM 0 HD1 PHE A 116 1.832 -2.924 -4.176 1.00 0.13 H new ATOM 0 HD2 PHE A 116 1.494 -7.202 -4.379 1.00 0.34 H new ATOM 0 HE1 PHE A 116 0.413 -2.908 -2.143 1.00 0.16 H new ATOM 0 HE2 PHE A 116 0.073 -7.186 -2.347 1.00 0.38 H new ATOM 0 HZ PHE A 116 -0.470 -5.037 -1.230 1.00 0.28 H new ATOM 1861 N LEU A 117 1.384 -2.542 -6.941 1.00 0.16 N ATOM 1862 CA LEU A 117 0.558 -1.307 -6.817 1.00 0.16 C ATOM 1863 C LEU A 117 -0.450 -1.251 -7.967 1.00 0.17 C ATOM 1864 O LEU A 117 -1.536 -0.724 -7.827 1.00 0.25 O ATOM 1865 CB LEU A 117 1.467 -0.077 -6.874 1.00 0.17 C ATOM 1866 CG LEU A 117 1.820 0.368 -5.453 1.00 0.24 C ATOM 1867 CD1 LEU A 117 3.078 1.238 -5.487 1.00 0.16 C ATOM 1868 CD2 LEU A 117 0.661 1.178 -4.865 1.00 0.36 C ATOM 0 H LEU A 117 2.363 -2.388 -7.181 1.00 0.16 H new ATOM 0 HA LEU A 117 0.025 -1.320 -5.866 1.00 0.16 H new ATOM 0 HB2 LEU A 117 2.376 -0.310 -7.429 1.00 0.17 H new ATOM 0 HB3 LEU A 117 0.967 0.733 -7.406 1.00 0.17 H new ATOM 0 HG LEU A 117 2.000 -0.512 -4.835 1.00 0.24 H new ATOM 0 HD11 LEU A 117 3.329 1.555 -4.475 1.00 0.16 H new ATOM 0 HD12 LEU A 117 3.906 0.664 -5.903 1.00 0.16 H new ATOM 0 HD13 LEU A 117 2.897 2.116 -6.107 1.00 0.16 H new ATOM 0 HD21 LEU A 117 0.914 1.494 -3.853 1.00 0.36 H new ATOM 0 HD22 LEU A 117 0.480 2.056 -5.485 1.00 0.36 H new ATOM 0 HD23 LEU A 117 -0.237 0.561 -4.838 1.00 0.36 H new ATOM 1880 N GLU A 118 -0.100 -1.790 -9.103 1.00 0.18 N ATOM 1881 CA GLU A 118 -1.038 -1.766 -10.259 1.00 0.18 C ATOM 1882 C GLU A 118 -2.247 -2.654 -9.953 1.00 0.15 C ATOM 1883 O GLU A 118 -3.375 -2.202 -9.946 1.00 0.20 O ATOM 1884 CB GLU A 118 -0.324 -2.289 -11.506 1.00 0.22 C ATOM 1885 CG GLU A 118 -1.117 -1.891 -12.754 1.00 0.24 C ATOM 1886 CD GLU A 118 -0.849 -0.422 -13.083 1.00 1.27 C ATOM 1887 OE1 GLU A 118 0.312 -0.054 -13.155 1.00 1.58 O ATOM 1888 OE2 GLU A 118 -1.809 0.310 -13.257 1.00 2.15 O ATOM 0 H GLU A 118 0.795 -2.246 -9.280 1.00 0.18 H new ATOM 0 HA GLU A 118 -1.373 -0.744 -10.434 1.00 0.18 H new ATOM 0 HB2 GLU A 118 0.685 -1.881 -11.558 1.00 0.22 H new ATOM 0 HB3 GLU A 118 -0.227 -3.373 -11.454 1.00 0.22 H new ATOM 0 HG2 GLU A 118 -0.830 -2.521 -13.596 1.00 0.24 H new ATOM 0 HG3 GLU A 118 -2.182 -2.048 -12.586 1.00 0.24 H new ATOM 1895 N ARG A 119 -2.021 -3.914 -9.701 1.00 0.09 N ATOM 1896 CA ARG A 119 -3.156 -4.828 -9.396 1.00 0.05 C ATOM 1897 C ARG A 119 -3.940 -4.287 -8.198 1.00 0.07 C ATOM 1898 O ARG A 119 -5.149 -4.391 -8.137 1.00 0.09 O ATOM 1899 CB ARG A 119 -2.615 -6.220 -9.062 1.00 0.07 C ATOM 1900 CG ARG A 119 -1.604 -6.115 -7.919 1.00 0.17 C ATOM 1901 CD ARG A 119 -0.933 -7.473 -7.702 1.00 0.10 C ATOM 1902 NE ARG A 119 0.223 -7.609 -8.632 1.00 1.81 N ATOM 1903 CZ ARG A 119 1.117 -8.537 -8.429 1.00 2.16 C ATOM 1904 NH1 ARG A 119 1.000 -9.344 -7.409 1.00 1.27 N ATOM 1905 NH2 ARG A 119 2.130 -8.658 -9.243 1.00 3.72 N ATOM 0 H ARG A 119 -1.099 -4.350 -9.693 1.00 0.09 H new ATOM 0 HA ARG A 119 -3.813 -4.891 -10.263 1.00 0.05 H new ATOM 0 HB2 ARG A 119 -3.434 -6.881 -8.778 1.00 0.07 H new ATOM 0 HB3 ARG A 119 -2.142 -6.658 -9.941 1.00 0.07 H new ATOM 0 HG2 ARG A 119 -0.853 -5.360 -8.152 1.00 0.17 H new ATOM 0 HG3 ARG A 119 -2.105 -5.795 -7.005 1.00 0.17 H new ATOM 0 HD2 ARG A 119 -0.596 -7.563 -6.669 1.00 0.10 H new ATOM 0 HD3 ARG A 119 -1.649 -8.276 -7.875 1.00 0.10 H new ATOM 0 HE ARG A 119 0.315 -6.977 -9.427 1.00 1.81 H new ATOM 0 HH11 ARG A 119 0.210 -9.249 -6.771 1.00 1.27 H new ATOM 0 HH12 ARG A 119 1.699 -10.070 -7.250 1.00 1.27 H new ATOM 0 HH21 ARG A 119 2.223 -8.027 -10.039 1.00 3.72 H new ATOM 0 HH22 ARG A 119 2.829 -9.384 -9.083 1.00 3.72 H new ATOM 1919 N LEU A 120 -3.262 -3.708 -7.245 1.00 0.09 N ATOM 1920 CA LEU A 120 -3.970 -3.161 -6.054 1.00 0.13 C ATOM 1921 C LEU A 120 -4.807 -1.953 -6.477 1.00 0.11 C ATOM 1922 O LEU A 120 -6.012 -1.935 -6.322 1.00 0.15 O ATOM 1923 CB LEU A 120 -2.939 -2.731 -5.004 1.00 0.14 C ATOM 1924 CG LEU A 120 -3.598 -2.657 -3.622 1.00 0.20 C ATOM 1925 CD1 LEU A 120 -2.536 -2.330 -2.571 1.00 0.24 C ATOM 1926 CD2 LEU A 120 -4.673 -1.565 -3.610 1.00 0.18 C ATOM 0 H LEU A 120 -2.249 -3.590 -7.240 1.00 0.09 H new ATOM 0 HA LEU A 120 -4.622 -3.924 -5.629 1.00 0.13 H new ATOM 0 HB2 LEU A 120 -2.111 -3.440 -4.984 1.00 0.14 H new ATOM 0 HB3 LEU A 120 -2.521 -1.760 -5.269 1.00 0.14 H new ATOM 0 HG LEU A 120 -4.061 -3.618 -3.396 1.00 0.20 H new ATOM 0 HD11 LEU A 120 -3.002 -2.277 -1.587 1.00 0.24 H new ATOM 0 HD12 LEU A 120 -1.773 -3.109 -2.570 1.00 0.24 H new ATOM 0 HD13 LEU A 120 -2.075 -1.371 -2.806 1.00 0.24 H new ATOM 0 HD21 LEU A 120 -5.135 -1.520 -2.624 1.00 0.18 H new ATOM 0 HD22 LEU A 120 -4.216 -0.602 -3.841 1.00 0.18 H new ATOM 0 HD23 LEU A 120 -5.433 -1.794 -4.357 1.00 0.18 H new ATOM 1938 N LYS A 121 -4.179 -0.941 -7.011 1.00 0.07 N ATOM 1939 CA LYS A 121 -4.940 0.265 -7.443 1.00 0.09 C ATOM 1940 C LYS A 121 -6.139 -0.166 -8.290 1.00 0.14 C ATOM 1941 O LYS A 121 -7.238 0.324 -8.121 1.00 0.16 O ATOM 1942 CB LYS A 121 -4.030 1.172 -8.273 1.00 0.10 C ATOM 1943 CG LYS A 121 -4.722 2.517 -8.503 1.00 0.18 C ATOM 1944 CD LYS A 121 -3.922 3.336 -9.520 1.00 0.41 C ATOM 1945 CE LYS A 121 -4.664 3.351 -10.859 1.00 0.85 C ATOM 1946 NZ LYS A 121 -4.822 1.956 -11.356 1.00 1.75 N ATOM 0 H LYS A 121 -3.172 -0.898 -7.167 1.00 0.07 H new ATOM 0 HA LYS A 121 -5.291 0.807 -6.565 1.00 0.09 H new ATOM 0 HB2 LYS A 121 -3.081 1.323 -7.758 1.00 0.10 H new ATOM 0 HB3 LYS A 121 -3.802 0.700 -9.229 1.00 0.10 H new ATOM 0 HG2 LYS A 121 -5.737 2.358 -8.866 1.00 0.18 H new ATOM 0 HG3 LYS A 121 -4.802 3.063 -7.563 1.00 0.18 H new ATOM 0 HD2 LYS A 121 -3.785 4.354 -9.156 1.00 0.41 H new ATOM 0 HD3 LYS A 121 -2.928 2.907 -9.647 1.00 0.41 H new ATOM 0 HE2 LYS A 121 -5.641 3.819 -10.740 1.00 0.85 H new ATOM 0 HE3 LYS A 121 -4.112 3.947 -11.586 1.00 0.85 H new ATOM 0 HZ1 LYS A 121 -5.089 1.974 -12.361 1.00 1.75 H new ATOM 0 HZ2 LYS A 121 -3.924 1.444 -11.245 1.00 1.75 H new ATOM 0 HZ3 LYS A 121 -5.564 1.475 -10.809 1.00 1.75 H new ATOM 1960 N THR A 122 -5.937 -1.080 -9.200 1.00 0.16 N ATOM 1961 CA THR A 122 -7.066 -1.540 -10.056 1.00 0.22 C ATOM 1962 C THR A 122 -8.136 -2.195 -9.180 1.00 0.23 C ATOM 1963 O THR A 122 -9.305 -1.878 -9.269 1.00 0.25 O ATOM 1964 CB THR A 122 -6.550 -2.557 -11.077 1.00 0.25 C ATOM 1965 OG1 THR A 122 -5.386 -2.042 -11.708 1.00 0.28 O ATOM 1966 CG2 THR A 122 -7.629 -2.820 -12.128 1.00 0.25 C ATOM 0 H THR A 122 -5.040 -1.527 -9.387 1.00 0.16 H new ATOM 0 HA THR A 122 -7.497 -0.686 -10.579 1.00 0.22 H new ATOM 0 HB THR A 122 -6.306 -3.490 -10.570 1.00 0.25 H new ATOM 0 HG1 THR A 122 -4.600 -2.244 -11.159 1.00 0.28 H new ATOM 0 HG21 THR A 122 -7.260 -3.544 -12.854 1.00 0.25 H new ATOM 0 HG22 THR A 122 -8.521 -3.215 -11.642 1.00 0.25 H new ATOM 0 HG23 THR A 122 -7.875 -1.888 -12.637 1.00 0.25 H new ATOM 1974 N ILE A 123 -7.745 -3.108 -8.333 1.00 0.21 N ATOM 1975 CA ILE A 123 -8.740 -3.782 -7.453 1.00 0.24 C ATOM 1976 C ILE A 123 -9.602 -2.727 -6.756 1.00 0.26 C ATOM 1977 O ILE A 123 -10.810 -2.838 -6.696 1.00 0.33 O ATOM 1978 CB ILE A 123 -8.008 -4.617 -6.401 1.00 0.23 C ATOM 1979 CG1 ILE A 123 -7.505 -5.913 -7.040 1.00 0.21 C ATOM 1980 CG2 ILE A 123 -8.965 -4.952 -5.257 1.00 0.26 C ATOM 1981 CD1 ILE A 123 -6.384 -6.504 -6.183 1.00 0.25 C ATOM 0 H ILE A 123 -6.780 -3.416 -8.213 1.00 0.21 H new ATOM 0 HA ILE A 123 -9.376 -4.431 -8.055 1.00 0.24 H new ATOM 0 HB ILE A 123 -7.162 -4.050 -6.012 1.00 0.23 H new ATOM 0 HG12 ILE A 123 -8.323 -6.628 -7.130 1.00 0.21 H new ATOM 0 HG13 ILE A 123 -7.141 -5.716 -8.048 1.00 0.21 H new ATOM 0 HG21 ILE A 123 -8.442 -5.547 -4.508 1.00 0.26 H new ATOM 0 HG22 ILE A 123 -9.325 -4.029 -4.801 1.00 0.26 H new ATOM 0 HG23 ILE A 123 -9.811 -5.519 -5.645 1.00 0.26 H new ATOM 0 HD11 ILE A 123 -6.026 -7.427 -6.639 1.00 0.25 H new ATOM 0 HD12 ILE A 123 -5.563 -5.790 -6.116 1.00 0.25 H new ATOM 0 HD13 ILE A 123 -6.763 -6.716 -5.183 1.00 0.25 H new ATOM 1993 N MET A 124 -8.989 -1.701 -6.229 1.00 0.20 N ATOM 1994 CA MET A 124 -9.775 -0.640 -5.538 1.00 0.23 C ATOM 1995 C MET A 124 -10.857 -0.111 -6.481 1.00 0.25 C ATOM 1996 O MET A 124 -12.028 -0.102 -6.157 1.00 0.29 O ATOM 1997 CB MET A 124 -8.843 0.505 -5.138 1.00 0.20 C ATOM 1998 CG MET A 124 -8.165 0.171 -3.807 1.00 0.28 C ATOM 1999 SD MET A 124 -9.370 0.307 -2.464 1.00 1.01 S ATOM 2000 CE MET A 124 -8.330 1.249 -1.321 1.00 0.80 C ATOM 0 H MET A 124 -7.980 -1.552 -6.247 1.00 0.20 H new ATOM 0 HA MET A 124 -10.243 -1.057 -4.646 1.00 0.23 H new ATOM 0 HB2 MET A 124 -8.091 0.663 -5.911 1.00 0.20 H new ATOM 0 HB3 MET A 124 -9.408 1.433 -5.048 1.00 0.20 H new ATOM 0 HG2 MET A 124 -7.753 -0.838 -3.840 1.00 0.28 H new ATOM 0 HG3 MET A 124 -7.331 0.850 -3.631 1.00 0.28 H new ATOM 0 HE1 MET A 124 -8.272 0.726 -0.367 1.00 0.80 H new ATOM 0 HE2 MET A 124 -7.329 1.352 -1.740 1.00 0.80 H new ATOM 0 HE3 MET A 124 -8.762 2.238 -1.167 1.00 0.80 H new ATOM 2010 N ARG A 125 -10.475 0.332 -7.648 1.00 0.23 N ATOM 2011 CA ARG A 125 -11.481 0.860 -8.611 1.00 0.26 C ATOM 2012 C ARG A 125 -12.577 -0.186 -8.828 1.00 0.27 C ATOM 2013 O ARG A 125 -13.708 0.140 -9.129 1.00 0.26 O ATOM 2014 CB ARG A 125 -10.799 1.168 -9.946 1.00 0.25 C ATOM 2015 CG ARG A 125 -11.557 2.286 -10.662 1.00 1.31 C ATOM 2016 CD ARG A 125 -11.006 3.643 -10.218 1.00 1.18 C ATOM 2017 NE ARG A 125 -11.997 4.709 -10.530 1.00 2.13 N ATOM 2018 CZ ARG A 125 -11.882 5.888 -9.983 1.00 2.91 C ATOM 2019 NH1 ARG A 125 -10.898 6.133 -9.162 1.00 3.03 N ATOM 2020 NH2 ARG A 125 -12.751 6.822 -10.256 1.00 3.75 N ATOM 0 H ARG A 125 -9.509 0.351 -7.976 1.00 0.23 H new ATOM 0 HA ARG A 125 -11.923 1.772 -8.210 1.00 0.26 H new ATOM 0 HB2 ARG A 125 -9.764 1.466 -9.777 1.00 0.25 H new ATOM 0 HB3 ARG A 125 -10.775 0.274 -10.569 1.00 0.25 H new ATOM 0 HG2 ARG A 125 -11.454 2.176 -11.742 1.00 1.31 H new ATOM 0 HG3 ARG A 125 -12.621 2.222 -10.435 1.00 1.31 H new ATOM 0 HD2 ARG A 125 -10.796 3.629 -9.149 1.00 1.18 H new ATOM 0 HD3 ARG A 125 -10.064 3.848 -10.726 1.00 1.18 H new ATOM 0 HE ARG A 125 -12.766 4.518 -11.172 1.00 2.13 H new ATOM 0 HH11 ARG A 125 -10.219 5.403 -8.948 1.00 3.03 H new ATOM 0 HH12 ARG A 125 -10.808 7.055 -8.734 1.00 3.03 H new ATOM 0 HH21 ARG A 125 -13.521 6.631 -10.897 1.00 3.75 H new ATOM 0 HH22 ARG A 125 -12.661 7.743 -9.828 1.00 3.75 H new ATOM 2034 N GLU A 126 -12.251 -1.440 -8.676 1.00 0.29 N ATOM 2035 CA GLU A 126 -13.274 -2.504 -8.875 1.00 0.31 C ATOM 2036 C GLU A 126 -14.248 -2.501 -7.693 1.00 0.31 C ATOM 2037 O GLU A 126 -15.445 -2.393 -7.865 1.00 0.35 O ATOM 2038 CB GLU A 126 -12.583 -3.866 -8.962 1.00 0.31 C ATOM 2039 CG GLU A 126 -13.254 -4.711 -10.046 1.00 0.44 C ATOM 2040 CD GLU A 126 -12.808 -4.222 -11.426 1.00 2.47 C ATOM 2041 OE1 GLU A 126 -13.459 -3.340 -11.959 1.00 3.72 O ATOM 2042 OE2 GLU A 126 -11.822 -4.738 -11.924 1.00 3.18 O ATOM 0 H GLU A 126 -11.321 -1.773 -8.423 1.00 0.29 H new ATOM 0 HA GLU A 126 -13.821 -2.315 -9.799 1.00 0.31 H new ATOM 0 HB2 GLU A 126 -11.525 -3.735 -9.191 1.00 0.31 H new ATOM 0 HB3 GLU A 126 -12.640 -4.377 -8.001 1.00 0.31 H new ATOM 0 HG2 GLU A 126 -12.991 -5.761 -9.918 1.00 0.44 H new ATOM 0 HG3 GLU A 126 -14.338 -4.641 -9.957 1.00 0.44 H new ATOM 2049 N LYS A 127 -13.742 -2.620 -6.496 1.00 0.29 N ATOM 2050 CA LYS A 127 -14.639 -2.623 -5.306 1.00 0.29 C ATOM 2051 C LYS A 127 -15.212 -1.220 -5.095 1.00 0.38 C ATOM 2052 O LYS A 127 -16.180 -1.036 -4.385 1.00 0.49 O ATOM 2053 CB LYS A 127 -13.842 -3.041 -4.069 1.00 0.31 C ATOM 2054 CG LYS A 127 -13.168 -4.390 -4.325 1.00 0.23 C ATOM 2055 CD LYS A 127 -12.868 -5.074 -2.990 1.00 0.29 C ATOM 2056 CE LYS A 127 -12.041 -6.336 -3.237 1.00 0.20 C ATOM 2057 NZ LYS A 127 -10.606 -5.968 -3.389 1.00 1.61 N ATOM 0 H LYS A 127 -12.747 -2.715 -6.291 1.00 0.29 H new ATOM 0 HA LYS A 127 -15.455 -3.327 -5.467 1.00 0.29 H new ATOM 0 HB2 LYS A 127 -13.091 -2.286 -3.836 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -14.503 -3.111 -3.205 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -13.816 -5.022 -4.932 1.00 0.23 H new ATOM 0 HG3 LYS A 127 -12.245 -4.246 -4.887 1.00 0.23 H new ATOM 0 HD2 LYS A 127 -12.325 -4.393 -2.335 1.00 0.29 H new ATOM 0 HD3 LYS A 127 -13.799 -5.330 -2.483 1.00 0.29 H new ATOM 0 HE2 LYS A 127 -12.163 -7.032 -2.407 1.00 0.20 H new ATOM 0 HE3 LYS A 127 -12.394 -6.845 -4.134 1.00 0.20 H new ATOM 0 HZ1 LYS A 127 -10.171 -6.562 -4.124 1.00 1.61 H new ATOM 0 HZ2 LYS A 127 -10.531 -4.968 -3.663 1.00 1.61 H new ATOM 0 HZ3 LYS A 127 -10.112 -6.117 -2.486 1.00 1.61 H new ATOM 2071 N TYR A 128 -14.622 -0.231 -5.706 1.00 0.33 N ATOM 2072 CA TYR A 128 -15.133 1.159 -5.540 1.00 0.41 C ATOM 2073 C TYR A 128 -16.499 1.285 -6.220 1.00 0.50 C ATOM 2074 O TYR A 128 -17.043 2.363 -6.347 1.00 0.62 O ATOM 2075 CB TYR A 128 -14.153 2.144 -6.182 1.00 0.35 C ATOM 2076 CG TYR A 128 -14.546 3.555 -5.817 1.00 0.36 C ATOM 2077 CD1 TYR A 128 -14.308 4.036 -4.524 1.00 0.37 C ATOM 2078 CD2 TYR A 128 -15.147 4.383 -6.773 1.00 0.41 C ATOM 2079 CE1 TYR A 128 -14.672 5.345 -4.186 1.00 0.37 C ATOM 2080 CE2 TYR A 128 -15.511 5.693 -6.434 1.00 0.42 C ATOM 2081 CZ TYR A 128 -15.273 6.173 -5.141 1.00 0.37 C ATOM 2082 OH TYR A 128 -15.632 7.464 -4.808 1.00 0.38 O ATOM 0 H TYR A 128 -13.808 -0.325 -6.313 1.00 0.33 H new ATOM 0 HA TYR A 128 -15.232 1.384 -4.478 1.00 0.41 H new ATOM 0 HB2 TYR A 128 -13.138 1.938 -5.841 1.00 0.35 H new ATOM 0 HB3 TYR A 128 -14.156 2.023 -7.265 1.00 0.35 H new ATOM 0 HD1 TYR A 128 -13.844 3.397 -3.787 1.00 0.37 H new ATOM 0 HD2 TYR A 128 -15.330 4.012 -7.771 1.00 0.41 H new ATOM 0 HE1 TYR A 128 -14.489 5.716 -3.188 1.00 0.37 H new ATOM 0 HE2 TYR A 128 -15.975 6.332 -7.170 1.00 0.42 H new ATOM 0 HH TYR A 128 -16.035 7.902 -5.586 1.00 0.38 H new