USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=29 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 -140:sc= 0.0199 USER MOD Set 1.2: A 115 ASN : amide:sc= 0 X(o=0.02,f=0.02) USER MOD Set 2.1: A 24 GLN : amide:sc= -0.0997 X(o=-0.15,f=0) USER MOD Set 2.2: A 82 GLN : amide:sc= -0.0533 X(o=-0.15,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 92:sc= 0.825 USER MOD Single : A 19 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -68:sc= 0.668 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 0.847 (180deg=0.458) USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.398 USER MOD Single : A 29 THR OG1 : rot -82:sc=-0.00244 USER MOD Single : A 32 THR OG1 : rot 46:sc= 0.682 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+ -154:sc= -0.0238 (180deg=-0.574) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= 0.00693 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 27:sc= 0.247 USER MOD Single : A 54 THR OG1 : rot 74:sc= 0.315 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 60 TYR OH : rot -177:sc= 0.0924 USER MOD Single : A 61 SER OG : rot 80:sc= 0.981 USER MOD Single : A 62 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-9.9!) USER MOD Single : A 63 HIS : no HD1:sc= -2.98 K(o=-3,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -59:sc= 0.73 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0816 X(o=-0.082,f=-0.016) USER MOD Single : A 80 HIS : no HE2:sc= -2.44 K(o=-2.4,f=-7.8!) USER MOD Single : A 81 LYS NZ :NH3+ 143:sc= -0.195 (180deg=-1.27!) USER MOD Single : A 88 LYS NZ :NH3+ -118:sc= -2.15 (180deg=-3.78!) USER MOD Single : A 93 ASN : amide:sc= -2.29! C(o=-2.3!,f=-6.9!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc=-0.00149 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -3.54! C(o=-3.5!,f=-2.7!) USER MOD Single : A 111 SER OG : rot 120:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 79:sc= 0.656 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -158:sc= -0.225 (180deg=-1.09) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.680 6.253 1.681 1.00 0.38 N ATOM 103 CA ASP A 8 -16.456 6.501 2.494 1.00 0.36 C ATOM 104 C ASP A 8 -15.583 7.545 1.797 1.00 0.36 C ATOM 105 O ASP A 8 -15.426 7.531 0.592 1.00 0.47 O ATOM 106 CB ASP A 8 -15.671 5.196 2.644 1.00 0.35 C ATOM 107 CG ASP A 8 -14.587 5.372 3.710 1.00 0.70 C ATOM 108 OD1 ASP A 8 -14.377 6.497 4.132 1.00 1.54 O ATOM 109 OD2 ASP A 8 -13.987 4.379 4.086 1.00 1.22 O ATOM 0 HA ASP A 8 -16.742 6.868 3.480 1.00 0.36 H new ATOM 0 HB2 ASP A 8 -16.343 4.385 2.924 1.00 0.35 H new ATOM 0 HB3 ASP A 8 -15.218 4.920 1.692 1.00 0.35 H new ATOM 114 N ILE A 9 -15.012 8.450 2.544 1.00 0.39 N ATOM 115 CA ILE A 9 -14.149 9.494 1.924 1.00 0.36 C ATOM 116 C ILE A 9 -12.691 9.032 1.947 1.00 0.35 C ATOM 117 O ILE A 9 -11.854 9.549 1.234 1.00 0.42 O ATOM 118 CB ILE A 9 -14.282 10.799 2.712 1.00 0.38 C ATOM 119 CG1 ILE A 9 -13.240 11.803 2.213 1.00 0.52 C ATOM 120 CG2 ILE A 9 -14.053 10.523 4.199 1.00 0.34 C ATOM 121 CD1 ILE A 9 -13.793 13.223 2.347 1.00 0.39 C ATOM 0 H ILE A 9 -15.106 8.511 3.558 1.00 0.39 H new ATOM 0 HA ILE A 9 -14.462 9.658 0.893 1.00 0.36 H new ATOM 0 HB ILE A 9 -15.281 11.210 2.569 1.00 0.38 H new ATOM 0 HG12 ILE A 9 -12.320 11.704 2.789 1.00 0.52 H new ATOM 0 HG13 ILE A 9 -12.989 11.596 1.173 1.00 0.52 H new ATOM 0 HG21 ILE A 9 -14.148 11.453 4.760 1.00 0.34 H new ATOM 0 HG22 ILE A 9 -14.794 9.807 4.555 1.00 0.34 H new ATOM 0 HG23 ILE A 9 -13.054 10.112 4.343 1.00 0.34 H new ATOM 0 HD11 ILE A 9 -13.051 13.938 1.992 1.00 0.39 H new ATOM 0 HD12 ILE A 9 -14.701 13.317 1.752 1.00 0.39 H new ATOM 0 HD13 ILE A 9 -14.022 13.427 3.393 1.00 0.39 H new ATOM 133 N THR A 10 -12.379 8.062 2.762 1.00 0.32 N ATOM 134 CA THR A 10 -10.975 7.568 2.830 1.00 0.36 C ATOM 135 C THR A 10 -10.611 6.881 1.512 1.00 0.31 C ATOM 136 O THR A 10 -9.542 7.082 0.971 1.00 0.29 O ATOM 137 CB THR A 10 -10.838 6.569 3.982 1.00 0.45 C ATOM 138 OG1 THR A 10 -11.590 7.028 5.096 1.00 0.49 O ATOM 139 CG2 THR A 10 -9.366 6.441 4.374 1.00 0.53 C ATOM 0 H THR A 10 -13.036 7.590 3.384 1.00 0.32 H new ATOM 0 HA THR A 10 -10.303 8.409 2.999 1.00 0.36 H new ATOM 0 HB THR A 10 -11.213 5.595 3.667 1.00 0.45 H new ATOM 0 HG1 THR A 10 -11.505 6.389 5.834 1.00 0.49 H new ATOM 0 HG21 THR A 10 -9.268 5.730 5.194 1.00 0.53 H new ATOM 0 HG22 THR A 10 -8.791 6.089 3.518 1.00 0.53 H new ATOM 0 HG23 THR A 10 -8.988 7.413 4.690 1.00 0.53 H new ATOM 147 N LEU A 11 -11.491 6.072 0.990 1.00 0.30 N ATOM 148 CA LEU A 11 -11.192 5.377 -0.292 1.00 0.28 C ATOM 149 C LEU A 11 -10.928 6.417 -1.383 1.00 0.27 C ATOM 150 O LEU A 11 -10.323 6.129 -2.396 1.00 0.26 O ATOM 151 CB LEU A 11 -12.386 4.507 -0.693 1.00 0.29 C ATOM 152 CG LEU A 11 -12.757 3.580 0.466 1.00 0.35 C ATOM 153 CD1 LEU A 11 -13.953 2.715 0.064 1.00 0.25 C ATOM 154 CD2 LEU A 11 -11.567 2.677 0.800 1.00 0.49 C ATOM 0 H LEU A 11 -12.403 5.863 1.396 1.00 0.30 H new ATOM 0 HA LEU A 11 -10.311 4.747 -0.168 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -13.236 5.137 -0.955 1.00 0.29 H new ATOM 0 HB3 LEU A 11 -12.140 3.920 -1.578 1.00 0.29 H new ATOM 0 HG LEU A 11 -13.016 4.178 1.339 1.00 0.35 H new ATOM 0 HD11 LEU A 11 -14.218 2.054 0.889 1.00 0.25 H new ATOM 0 HD12 LEU A 11 -14.802 3.356 -0.174 1.00 0.25 H new ATOM 0 HD13 LEU A 11 -13.693 2.118 -0.810 1.00 0.25 H new ATOM 0 HD21 LEU A 11 -11.832 2.017 1.626 1.00 0.49 H new ATOM 0 HD22 LEU A 11 -11.307 2.079 -0.074 1.00 0.49 H new ATOM 0 HD23 LEU A 11 -10.713 3.291 1.086 1.00 0.49 H new ATOM 166 N GLN A 12 -11.378 7.626 -1.182 1.00 0.30 N ATOM 167 CA GLN A 12 -11.154 8.685 -2.206 1.00 0.29 C ATOM 168 C GLN A 12 -9.748 9.265 -2.041 1.00 0.31 C ATOM 169 O GLN A 12 -8.895 9.101 -2.891 1.00 0.31 O ATOM 170 CB GLN A 12 -12.189 9.797 -2.025 1.00 0.29 C ATOM 171 CG GLN A 12 -12.157 10.727 -3.239 1.00 0.34 C ATOM 172 CD GLN A 12 -13.260 11.780 -3.106 1.00 0.50 C ATOM 173 OE1 GLN A 12 -14.427 11.448 -3.034 1.00 1.21 O ATOM 174 NE2 GLN A 12 -12.938 13.043 -3.070 1.00 1.33 N ATOM 0 H GLN A 12 -11.891 7.926 -0.353 1.00 0.30 H new ATOM 0 HA GLN A 12 -11.255 8.254 -3.202 1.00 0.29 H new ATOM 0 HB2 GLN A 12 -13.184 9.367 -1.909 1.00 0.29 H new ATOM 0 HB3 GLN A 12 -11.978 10.361 -1.116 1.00 0.29 H new ATOM 0 HG2 GLN A 12 -11.184 11.212 -3.313 1.00 0.34 H new ATOM 0 HG3 GLN A 12 -12.297 10.152 -4.154 1.00 0.34 H new ATOM 0 HE21 GLN A 12 -11.959 13.322 -3.130 1.00 1.33 H new ATOM 0 HE22 GLN A 12 -13.665 13.752 -2.981 1.00 1.33 H new ATOM 183 N GLU A 13 -9.498 9.941 -0.953 1.00 0.31 N ATOM 184 CA GLU A 13 -8.146 10.530 -0.738 1.00 0.33 C ATOM 185 C GLU A 13 -7.088 9.431 -0.855 1.00 0.33 C ATOM 186 O GLU A 13 -5.933 9.695 -1.124 1.00 0.33 O ATOM 187 CB GLU A 13 -8.079 11.162 0.656 1.00 0.36 C ATOM 188 CG GLU A 13 -8.054 10.063 1.720 1.00 0.37 C ATOM 189 CD GLU A 13 -6.608 9.772 2.126 1.00 1.02 C ATOM 190 OE1 GLU A 13 -5.727 10.002 1.314 1.00 2.14 O ATOM 191 OE2 GLU A 13 -6.406 9.325 3.243 1.00 1.17 O ATOM 0 H GLU A 13 -10.170 10.111 -0.205 1.00 0.31 H new ATOM 0 HA GLU A 13 -7.958 11.296 -1.491 1.00 0.33 H new ATOM 0 HB2 GLU A 13 -7.188 11.784 0.741 1.00 0.36 H new ATOM 0 HB3 GLU A 13 -8.939 11.813 0.812 1.00 0.36 H new ATOM 0 HG2 GLU A 13 -8.631 10.373 2.591 1.00 0.37 H new ATOM 0 HG3 GLU A 13 -8.523 9.158 1.333 1.00 0.37 H new ATOM 198 N ILE A 14 -7.473 8.200 -0.657 1.00 0.32 N ATOM 199 CA ILE A 14 -6.489 7.086 -0.759 1.00 0.32 C ATOM 200 C ILE A 14 -6.158 6.833 -2.230 1.00 0.27 C ATOM 201 O ILE A 14 -5.021 6.935 -2.646 1.00 0.31 O ATOM 202 CB ILE A 14 -7.089 5.818 -0.146 1.00 0.34 C ATOM 203 CG1 ILE A 14 -6.918 5.857 1.374 1.00 0.39 C ATOM 204 CG2 ILE A 14 -6.370 4.591 -0.709 1.00 0.31 C ATOM 205 CD1 ILE A 14 -7.774 4.763 2.012 1.00 0.42 C ATOM 0 H ILE A 14 -8.426 7.918 -0.429 1.00 0.32 H new ATOM 0 HA ILE A 14 -5.579 7.354 -0.222 1.00 0.32 H new ATOM 0 HB ILE A 14 -8.150 5.762 -0.391 1.00 0.34 H new ATOM 0 HG12 ILE A 14 -5.870 5.713 1.636 1.00 0.39 H new ATOM 0 HG13 ILE A 14 -7.211 6.834 1.759 1.00 0.39 H new ATOM 0 HG21 ILE A 14 -6.796 3.688 -0.273 1.00 0.31 H new ATOM 0 HG22 ILE A 14 -6.491 4.563 -1.792 1.00 0.31 H new ATOM 0 HG23 ILE A 14 -5.309 4.646 -0.464 1.00 0.31 H new ATOM 0 HD11 ILE A 14 -7.652 4.791 3.095 1.00 0.42 H new ATOM 0 HD12 ILE A 14 -8.822 4.928 1.760 1.00 0.42 H new ATOM 0 HD13 ILE A 14 -7.459 3.789 1.636 1.00 0.42 H new ATOM 217 N ILE A 15 -7.142 6.504 -3.022 1.00 0.19 N ATOM 218 CA ILE A 15 -6.882 6.246 -4.467 1.00 0.14 C ATOM 219 C ILE A 15 -6.012 7.368 -5.036 1.00 0.11 C ATOM 220 O ILE A 15 -4.999 7.125 -5.662 1.00 0.10 O ATOM 221 CB ILE A 15 -8.211 6.198 -5.223 1.00 0.13 C ATOM 222 CG1 ILE A 15 -8.906 4.862 -4.946 1.00 0.11 C ATOM 223 CG2 ILE A 15 -7.950 6.334 -6.724 1.00 0.15 C ATOM 224 CD1 ILE A 15 -10.376 4.957 -5.354 1.00 0.10 C ATOM 0 H ILE A 15 -8.114 6.403 -2.731 1.00 0.19 H new ATOM 0 HA ILE A 15 -6.365 5.293 -4.579 1.00 0.14 H new ATOM 0 HB ILE A 15 -8.848 7.017 -4.890 1.00 0.13 H new ATOM 0 HG12 ILE A 15 -8.415 4.063 -5.501 1.00 0.11 H new ATOM 0 HG13 ILE A 15 -8.827 4.611 -3.888 1.00 0.11 H new ATOM 0 HG21 ILE A 15 -8.897 6.300 -7.263 1.00 0.15 H new ATOM 0 HG22 ILE A 15 -7.454 7.284 -6.922 1.00 0.15 H new ATOM 0 HG23 ILE A 15 -7.313 5.515 -7.058 1.00 0.15 H new ATOM 0 HD11 ILE A 15 -10.871 4.006 -5.157 1.00 0.10 H new ATOM 0 HD12 ILE A 15 -10.863 5.745 -4.780 1.00 0.10 H new ATOM 0 HD13 ILE A 15 -10.444 5.188 -6.417 1.00 0.10 H new ATOM 236 N LYS A 16 -6.398 8.597 -4.824 1.00 0.14 N ATOM 237 CA LYS A 16 -5.591 9.732 -5.352 1.00 0.16 C ATOM 238 C LYS A 16 -4.154 9.618 -4.839 1.00 0.16 C ATOM 239 O LYS A 16 -3.205 9.831 -5.569 1.00 0.13 O ATOM 240 CB LYS A 16 -6.198 11.055 -4.878 1.00 0.23 C ATOM 241 CG LYS A 16 -7.433 11.380 -5.720 1.00 0.57 C ATOM 242 CD LYS A 16 -8.526 11.962 -4.822 1.00 1.21 C ATOM 243 CE LYS A 16 -8.001 13.222 -4.129 1.00 0.71 C ATOM 244 NZ LYS A 16 -8.997 14.320 -4.276 1.00 0.99 N ATOM 0 H LYS A 16 -7.237 8.863 -4.308 1.00 0.14 H new ATOM 0 HA LYS A 16 -5.592 9.702 -6.442 1.00 0.16 H new ATOM 0 HB2 LYS A 16 -6.471 10.986 -3.825 1.00 0.23 H new ATOM 0 HB3 LYS A 16 -5.464 11.856 -4.965 1.00 0.23 H new ATOM 0 HG2 LYS A 16 -7.174 12.092 -6.504 1.00 0.57 H new ATOM 0 HG3 LYS A 16 -7.796 10.479 -6.215 1.00 0.57 H new ATOM 0 HD2 LYS A 16 -9.409 12.201 -5.415 1.00 1.21 H new ATOM 0 HD3 LYS A 16 -8.831 11.226 -4.079 1.00 1.21 H new ATOM 0 HE2 LYS A 16 -7.819 13.020 -3.073 1.00 0.71 H new ATOM 0 HE3 LYS A 16 -7.048 13.520 -4.566 1.00 0.71 H new ATOM 0 HZ1 LYS A 16 -8.641 15.177 -3.806 1.00 0.99 H new ATOM 0 HZ2 LYS A 16 -9.150 14.517 -5.286 1.00 0.99 H new ATOM 0 HZ3 LYS A 16 -9.896 14.034 -3.840 1.00 0.99 H new ATOM 258 N THR A 17 -3.985 9.283 -3.590 1.00 0.22 N ATOM 259 CA THR A 17 -2.609 9.155 -3.033 1.00 0.25 C ATOM 260 C THR A 17 -1.812 8.151 -3.868 1.00 0.26 C ATOM 261 O THR A 17 -0.675 8.391 -4.224 1.00 0.27 O ATOM 262 CB THR A 17 -2.688 8.664 -1.585 1.00 0.26 C ATOM 263 OG1 THR A 17 -3.584 9.491 -0.855 1.00 0.28 O ATOM 264 CG2 THR A 17 -1.301 8.723 -0.947 1.00 0.34 C ATOM 0 H THR A 17 -4.740 9.092 -2.931 1.00 0.22 H new ATOM 0 HA THR A 17 -2.114 10.126 -3.061 1.00 0.25 H new ATOM 0 HB THR A 17 -3.048 7.635 -1.569 1.00 0.26 H new ATOM 0 HG1 THR A 17 -4.484 9.105 -0.886 1.00 0.28 H new ATOM 0 HG21 THR A 17 -1.359 8.373 0.084 1.00 0.34 H new ATOM 0 HG22 THR A 17 -0.615 8.088 -1.508 1.00 0.34 H new ATOM 0 HG23 THR A 17 -0.937 9.750 -0.961 1.00 0.34 H new ATOM 272 N LEU A 18 -2.399 7.031 -4.186 1.00 0.25 N ATOM 273 CA LEU A 18 -1.674 6.014 -4.999 1.00 0.27 C ATOM 274 C LEU A 18 -1.193 6.654 -6.303 1.00 0.26 C ATOM 275 O LEU A 18 -0.068 6.464 -6.721 1.00 0.32 O ATOM 276 CB LEU A 18 -2.615 4.850 -5.318 1.00 0.25 C ATOM 277 CG LEU A 18 -3.248 4.333 -4.025 1.00 0.38 C ATOM 278 CD1 LEU A 18 -4.182 3.165 -4.344 1.00 0.29 C ATOM 279 CD2 LEU A 18 -2.148 3.858 -3.073 1.00 0.60 C ATOM 0 H LEU A 18 -3.349 6.776 -3.918 1.00 0.25 H new ATOM 0 HA LEU A 18 -0.816 5.643 -4.438 1.00 0.27 H new ATOM 0 HB2 LEU A 18 -3.392 5.176 -6.010 1.00 0.25 H new ATOM 0 HB3 LEU A 18 -2.065 4.049 -5.811 1.00 0.25 H new ATOM 0 HG LEU A 18 -3.817 5.135 -3.555 1.00 0.38 H new ATOM 0 HD11 LEU A 18 -4.633 2.797 -3.422 1.00 0.29 H new ATOM 0 HD12 LEU A 18 -4.966 3.501 -5.022 1.00 0.29 H new ATOM 0 HD13 LEU A 18 -3.614 2.363 -4.815 1.00 0.29 H new ATOM 0 HD21 LEU A 18 -2.599 3.489 -2.151 1.00 0.60 H new ATOM 0 HD22 LEU A 18 -1.580 3.056 -3.545 1.00 0.60 H new ATOM 0 HD23 LEU A 18 -1.481 4.689 -2.844 1.00 0.60 H new ATOM 291 N ASN A 19 -2.036 7.411 -6.949 1.00 0.21 N ATOM 292 CA ASN A 19 -1.625 8.062 -8.225 1.00 0.20 C ATOM 293 C ASN A 19 -0.380 8.917 -7.984 1.00 0.22 C ATOM 294 O ASN A 19 0.555 8.902 -8.759 1.00 0.22 O ATOM 295 CB ASN A 19 -2.763 8.950 -8.734 1.00 0.19 C ATOM 296 CG ASN A 19 -3.777 8.094 -9.496 1.00 0.38 C ATOM 297 OD1 ASN A 19 -3.961 8.264 -10.685 1.00 1.56 O ATOM 298 ND2 ASN A 19 -4.447 7.174 -8.857 1.00 0.80 N ATOM 0 H ASN A 19 -2.991 7.607 -6.649 1.00 0.21 H new ATOM 0 HA ASN A 19 -1.401 7.296 -8.968 1.00 0.20 H new ATOM 0 HB2 ASN A 19 -3.250 9.451 -7.897 1.00 0.19 H new ATOM 0 HB3 ASN A 19 -2.367 9.729 -9.385 1.00 0.19 H new ATOM 0 HD21 ASN A 19 -5.125 6.598 -9.356 1.00 0.80 H new ATOM 0 HD22 ASN A 19 -4.293 7.031 -7.859 1.00 0.80 H new ATOM 305 N SER A 20 -0.359 9.663 -6.913 1.00 0.24 N ATOM 306 CA SER A 20 0.826 10.517 -6.623 1.00 0.26 C ATOM 307 C SER A 20 2.069 9.635 -6.489 1.00 0.26 C ATOM 308 O SER A 20 3.136 9.972 -6.962 1.00 0.25 O ATOM 309 CB SER A 20 0.599 11.278 -5.316 1.00 0.33 C ATOM 310 OG SER A 20 -0.238 12.399 -5.567 1.00 0.61 O ATOM 0 H SER A 20 -1.112 9.717 -6.227 1.00 0.24 H new ATOM 0 HA SER A 20 0.970 11.227 -7.437 1.00 0.26 H new ATOM 0 HB2 SER A 20 0.139 10.624 -4.576 1.00 0.33 H new ATOM 0 HB3 SER A 20 1.552 11.606 -4.902 1.00 0.33 H new ATOM 0 HG SER A 20 -0.388 12.889 -4.732 1.00 0.61 H new ATOM 316 N LEU A 21 1.941 8.506 -5.847 1.00 0.28 N ATOM 317 CA LEU A 21 3.114 7.604 -5.683 1.00 0.30 C ATOM 318 C LEU A 21 3.663 7.223 -7.060 1.00 0.40 C ATOM 319 O LEU A 21 4.853 7.269 -7.299 1.00 0.49 O ATOM 320 CB LEU A 21 2.683 6.338 -4.937 1.00 0.25 C ATOM 321 CG LEU A 21 2.925 6.518 -3.437 1.00 0.13 C ATOM 322 CD1 LEU A 21 2.062 5.522 -2.659 1.00 0.23 C ATOM 323 CD2 LEU A 21 4.402 6.263 -3.117 1.00 0.31 C ATOM 0 H LEU A 21 1.074 8.170 -5.429 1.00 0.28 H new ATOM 0 HA LEU A 21 3.889 8.116 -5.113 1.00 0.30 H new ATOM 0 HB2 LEU A 21 1.628 6.135 -5.124 1.00 0.25 H new ATOM 0 HB3 LEU A 21 3.243 5.478 -5.305 1.00 0.25 H new ATOM 0 HG LEU A 21 2.662 7.536 -3.150 1.00 0.13 H new ATOM 0 HD11 LEU A 21 2.234 5.649 -1.590 1.00 0.23 H new ATOM 0 HD12 LEU A 21 1.010 5.701 -2.881 1.00 0.23 H new ATOM 0 HD13 LEU A 21 2.327 4.506 -2.951 1.00 0.23 H new ATOM 0 HD21 LEU A 21 4.570 6.392 -2.048 1.00 0.31 H new ATOM 0 HD22 LEU A 21 4.666 5.246 -3.406 1.00 0.31 H new ATOM 0 HD23 LEU A 21 5.021 6.970 -3.670 1.00 0.31 H new ATOM 335 N THR A 22 2.804 6.848 -7.968 1.00 0.43 N ATOM 336 CA THR A 22 3.278 6.465 -9.329 1.00 0.56 C ATOM 337 C THR A 22 4.108 7.607 -9.918 1.00 0.64 C ATOM 338 O THR A 22 5.166 7.395 -10.476 1.00 0.83 O ATOM 339 CB THR A 22 2.073 6.191 -10.231 1.00 0.60 C ATOM 340 OG1 THR A 22 1.333 7.390 -10.410 1.00 0.67 O ATOM 341 CG2 THR A 22 1.181 5.128 -9.586 1.00 0.57 C ATOM 0 H THR A 22 1.795 6.790 -7.827 1.00 0.43 H new ATOM 0 HA THR A 22 3.892 5.567 -9.262 1.00 0.56 H new ATOM 0 HB THR A 22 2.419 5.831 -11.200 1.00 0.60 H new ATOM 0 HG1 THR A 22 0.913 7.645 -9.562 1.00 0.67 H new ATOM 0 HG21 THR A 22 0.323 4.934 -10.230 1.00 0.57 H new ATOM 0 HG22 THR A 22 1.750 4.208 -9.452 1.00 0.57 H new ATOM 0 HG23 THR A 22 0.834 5.484 -8.616 1.00 0.57 H new ATOM 349 N GLU A 23 3.636 8.819 -9.800 1.00 0.52 N ATOM 350 CA GLU A 23 4.400 9.972 -10.355 1.00 0.60 C ATOM 351 C GLU A 23 5.852 9.896 -9.881 1.00 0.59 C ATOM 352 O GLU A 23 6.763 10.308 -10.572 1.00 0.66 O ATOM 353 CB GLU A 23 3.773 11.281 -9.870 1.00 0.59 C ATOM 354 CG GLU A 23 2.992 11.929 -11.015 1.00 1.10 C ATOM 355 CD GLU A 23 2.132 13.068 -10.467 1.00 1.15 C ATOM 356 OE1 GLU A 23 1.268 12.792 -9.652 1.00 1.74 O ATOM 357 OE2 GLU A 23 2.351 14.198 -10.872 1.00 1.89 O ATOM 0 H GLU A 23 2.756 9.060 -9.344 1.00 0.52 H new ATOM 0 HA GLU A 23 4.370 9.937 -11.444 1.00 0.60 H new ATOM 0 HB2 GLU A 23 3.110 11.088 -9.027 1.00 0.59 H new ATOM 0 HB3 GLU A 23 4.550 11.959 -9.516 1.00 0.59 H new ATOM 0 HG2 GLU A 23 3.681 12.310 -11.769 1.00 1.10 H new ATOM 0 HG3 GLU A 23 2.362 11.187 -11.505 1.00 1.10 H new ATOM 364 N GLN A 24 6.075 9.368 -8.709 1.00 0.49 N ATOM 365 CA GLN A 24 7.468 9.263 -8.190 1.00 0.48 C ATOM 366 C GLN A 24 8.039 7.889 -8.544 1.00 0.47 C ATOM 367 O GLN A 24 7.314 6.929 -8.712 1.00 0.48 O ATOM 368 CB GLN A 24 7.460 9.435 -6.669 1.00 0.42 C ATOM 369 CG GLN A 24 8.400 10.576 -6.279 1.00 1.12 C ATOM 370 CD GLN A 24 8.334 10.799 -4.766 1.00 1.54 C ATOM 371 OE1 GLN A 24 7.408 11.409 -4.271 1.00 1.30 O ATOM 372 NE2 GLN A 24 9.284 10.324 -4.007 1.00 2.89 N ATOM 0 H GLN A 24 5.352 9.004 -8.088 1.00 0.49 H new ATOM 0 HA GLN A 24 8.084 10.041 -8.640 1.00 0.48 H new ATOM 0 HB2 GLN A 24 6.449 9.648 -6.322 1.00 0.42 H new ATOM 0 HB3 GLN A 24 7.774 8.510 -6.186 1.00 0.42 H new ATOM 0 HG2 GLN A 24 9.421 10.338 -6.578 1.00 1.12 H new ATOM 0 HG3 GLN A 24 8.118 11.489 -6.804 1.00 1.12 H new ATOM 0 HE21 GLN A 24 10.061 9.812 -4.424 1.00 2.89 H new ATOM 0 HE22 GLN A 24 9.249 10.465 -2.997 1.00 2.89 H new ATOM 381 N LYS A 25 9.335 7.786 -8.662 1.00 0.55 N ATOM 382 CA LYS A 25 9.949 6.472 -9.007 1.00 0.54 C ATOM 383 C LYS A 25 11.332 6.367 -8.362 1.00 0.56 C ATOM 384 O LYS A 25 12.108 7.301 -8.379 1.00 1.15 O ATOM 385 CB LYS A 25 10.085 6.356 -10.526 1.00 0.69 C ATOM 386 CG LYS A 25 8.701 6.447 -11.172 1.00 0.84 C ATOM 387 CD LYS A 25 8.794 6.031 -12.642 1.00 0.75 C ATOM 388 CE LYS A 25 7.679 6.712 -13.437 1.00 0.86 C ATOM 389 NZ LYS A 25 6.359 6.357 -12.845 1.00 1.36 N ATOM 0 H LYS A 25 9.994 8.554 -8.535 1.00 0.55 H new ATOM 0 HA LYS A 25 9.314 5.667 -8.636 1.00 0.54 H new ATOM 0 HB2 LYS A 25 10.728 7.150 -10.906 1.00 0.69 H new ATOM 0 HB3 LYS A 25 10.559 5.410 -10.788 1.00 0.69 H new ATOM 0 HG2 LYS A 25 7.999 5.802 -10.644 1.00 0.84 H new ATOM 0 HG3 LYS A 25 8.318 7.465 -11.095 1.00 0.84 H new ATOM 0 HD2 LYS A 25 9.767 6.309 -13.049 1.00 0.75 H new ATOM 0 HD3 LYS A 25 8.709 4.948 -12.730 1.00 0.75 H new ATOM 0 HE2 LYS A 25 7.817 7.793 -13.424 1.00 0.86 H new ATOM 0 HE3 LYS A 25 7.718 6.398 -14.480 1.00 0.86 H new ATOM 0 HZ1 LYS A 25 5.604 6.568 -13.528 1.00 1.36 H new ATOM 0 HZ2 LYS A 25 6.344 5.343 -12.614 1.00 1.36 H new ATOM 0 HZ3 LYS A 25 6.207 6.912 -11.979 1.00 1.36 H new ATOM 403 N THR A 26 11.645 5.235 -7.794 1.00 0.20 N ATOM 404 CA THR A 26 12.977 5.065 -7.148 1.00 0.30 C ATOM 405 C THR A 26 13.444 3.618 -7.324 1.00 0.30 C ATOM 406 O THR A 26 12.694 2.764 -7.755 1.00 0.36 O ATOM 407 CB THR A 26 12.866 5.388 -5.656 1.00 0.35 C ATOM 408 OG1 THR A 26 12.136 4.357 -5.004 1.00 0.41 O ATOM 409 CG2 THR A 26 12.144 6.723 -5.471 1.00 0.25 C ATOM 0 H THR A 26 11.035 4.419 -7.749 1.00 0.20 H new ATOM 0 HA THR A 26 13.696 5.740 -7.612 1.00 0.30 H new ATOM 0 HB THR A 26 13.864 5.457 -5.224 1.00 0.35 H new ATOM 0 HG1 THR A 26 11.790 4.691 -4.150 1.00 0.41 H new ATOM 0 HG21 THR A 26 12.066 6.950 -4.408 1.00 0.25 H new ATOM 0 HG22 THR A 26 12.705 7.512 -5.971 1.00 0.25 H new ATOM 0 HG23 THR A 26 11.145 6.659 -5.902 1.00 0.25 H new ATOM 417 N LEU A 27 14.674 3.334 -6.996 1.00 0.30 N ATOM 418 CA LEU A 27 15.179 1.941 -7.149 1.00 0.31 C ATOM 419 C LEU A 27 14.472 1.030 -6.142 1.00 0.30 C ATOM 420 O LEU A 27 14.626 -0.174 -6.165 1.00 0.31 O ATOM 421 CB LEU A 27 16.691 1.912 -6.900 1.00 0.39 C ATOM 422 CG LEU A 27 16.985 2.223 -5.431 1.00 0.40 C ATOM 423 CD1 LEU A 27 17.336 0.927 -4.697 1.00 0.50 C ATOM 424 CD2 LEU A 27 18.167 3.192 -5.345 1.00 0.27 C ATOM 0 H LEU A 27 15.350 4.004 -6.630 1.00 0.30 H new ATOM 0 HA LEU A 27 14.976 1.589 -8.160 1.00 0.31 H new ATOM 0 HB2 LEU A 27 17.092 0.932 -7.160 1.00 0.39 H new ATOM 0 HB3 LEU A 27 17.188 2.640 -7.541 1.00 0.39 H new ATOM 0 HG LEU A 27 16.107 2.676 -4.971 1.00 0.40 H new ATOM 0 HD11 LEU A 27 17.546 1.147 -3.650 1.00 0.50 H new ATOM 0 HD12 LEU A 27 16.497 0.234 -4.761 1.00 0.50 H new ATOM 0 HD13 LEU A 27 18.216 0.476 -5.156 1.00 0.50 H new ATOM 0 HD21 LEU A 27 18.379 3.416 -4.299 1.00 0.27 H new ATOM 0 HD22 LEU A 27 19.045 2.737 -5.804 1.00 0.27 H new ATOM 0 HD23 LEU A 27 17.920 4.115 -5.870 1.00 0.27 H new ATOM 436 N CYS A 28 13.694 1.598 -5.262 1.00 0.30 N ATOM 437 CA CYS A 28 12.975 0.768 -4.256 1.00 0.31 C ATOM 438 C CYS A 28 11.930 -0.098 -4.964 1.00 0.32 C ATOM 439 O CYS A 28 11.322 -0.965 -4.370 1.00 0.36 O ATOM 440 CB CYS A 28 12.278 1.683 -3.246 1.00 0.34 C ATOM 441 SG CYS A 28 12.691 1.153 -1.565 1.00 0.24 S ATOM 0 H CYS A 28 13.525 2.602 -5.197 1.00 0.30 H new ATOM 0 HA CYS A 28 13.687 0.127 -3.736 1.00 0.31 H new ATOM 0 HB2 CYS A 28 12.590 2.716 -3.400 1.00 0.34 H new ATOM 0 HB3 CYS A 28 11.199 1.650 -3.394 1.00 0.34 H new ATOM 446 N THR A 29 11.717 0.132 -6.231 1.00 0.29 N ATOM 447 CA THR A 29 10.712 -0.677 -6.976 1.00 0.31 C ATOM 448 C THR A 29 11.338 -2.008 -7.396 1.00 0.29 C ATOM 449 O THR A 29 10.709 -3.047 -7.341 1.00 0.37 O ATOM 450 CB THR A 29 10.262 0.089 -8.223 1.00 0.33 C ATOM 451 OG1 THR A 29 11.356 0.215 -9.120 1.00 0.40 O ATOM 452 CG2 THR A 29 9.769 1.481 -7.819 1.00 0.30 C ATOM 0 H THR A 29 12.195 0.845 -6.782 1.00 0.29 H new ATOM 0 HA THR A 29 9.851 -0.866 -6.334 1.00 0.31 H new ATOM 0 HB THR A 29 9.452 -0.454 -8.710 1.00 0.33 H new ATOM 0 HG1 THR A 29 11.918 0.970 -8.846 1.00 0.40 H new ATOM 0 HG21 THR A 29 9.449 2.026 -8.707 1.00 0.30 H new ATOM 0 HG22 THR A 29 8.929 1.384 -7.131 1.00 0.30 H new ATOM 0 HG23 THR A 29 10.577 2.026 -7.331 1.00 0.30 H new ATOM 460 N GLU A 30 12.574 -1.988 -7.815 1.00 0.42 N ATOM 461 CA GLU A 30 13.238 -3.253 -8.238 1.00 0.41 C ATOM 462 C GLU A 30 13.173 -4.270 -7.097 1.00 0.39 C ATOM 463 O GLU A 30 13.494 -5.429 -7.266 1.00 0.42 O ATOM 464 CB GLU A 30 14.701 -2.969 -8.585 1.00 0.42 C ATOM 465 CG GLU A 30 14.917 -3.168 -10.087 1.00 1.00 C ATOM 466 CD GLU A 30 14.773 -4.652 -10.432 1.00 2.17 C ATOM 467 OE1 GLU A 30 15.435 -5.454 -9.795 1.00 2.86 O ATOM 468 OE2 GLU A 30 14.005 -4.959 -11.328 1.00 2.90 O ATOM 0 H GLU A 30 13.152 -1.150 -7.883 1.00 0.42 H new ATOM 0 HA GLU A 30 12.728 -3.656 -9.113 1.00 0.41 H new ATOM 0 HB2 GLU A 30 14.962 -1.949 -8.301 1.00 0.42 H new ATOM 0 HB3 GLU A 30 15.355 -3.634 -8.021 1.00 0.42 H new ATOM 0 HG2 GLU A 30 14.192 -2.581 -10.650 1.00 1.00 H new ATOM 0 HG3 GLU A 30 15.907 -2.812 -10.373 1.00 1.00 H new ATOM 475 N LEU A 31 12.758 -3.845 -5.935 1.00 0.36 N ATOM 476 CA LEU A 31 12.672 -4.788 -4.785 1.00 0.35 C ATOM 477 C LEU A 31 11.547 -5.795 -5.033 1.00 0.47 C ATOM 478 O LEU A 31 10.953 -5.827 -6.093 1.00 1.21 O ATOM 479 CB LEU A 31 12.381 -4.005 -3.503 1.00 0.36 C ATOM 480 CG LEU A 31 13.397 -2.872 -3.353 1.00 0.31 C ATOM 481 CD1 LEU A 31 13.109 -2.093 -2.069 1.00 0.45 C ATOM 482 CD2 LEU A 31 14.809 -3.459 -3.285 1.00 0.14 C ATOM 0 H LEU A 31 12.475 -2.886 -5.733 1.00 0.36 H new ATOM 0 HA LEU A 31 13.618 -5.319 -4.680 1.00 0.35 H new ATOM 0 HB2 LEU A 31 11.370 -3.599 -3.534 1.00 0.36 H new ATOM 0 HB3 LEU A 31 12.431 -4.669 -2.640 1.00 0.36 H new ATOM 0 HG LEU A 31 13.321 -2.202 -4.209 1.00 0.31 H new ATOM 0 HD11 LEU A 31 13.834 -1.286 -1.963 1.00 0.45 H new ATOM 0 HD12 LEU A 31 12.104 -1.674 -2.115 1.00 0.45 H new ATOM 0 HD13 LEU A 31 13.184 -2.763 -1.212 1.00 0.45 H new ATOM 0 HD21 LEU A 31 15.534 -2.652 -3.178 1.00 0.14 H new ATOM 0 HD22 LEU A 31 14.883 -4.129 -2.429 1.00 0.14 H new ATOM 0 HD23 LEU A 31 15.017 -4.014 -4.200 1.00 0.14 H new ATOM 494 N THR A 32 11.250 -6.617 -4.064 1.00 0.24 N ATOM 495 CA THR A 32 10.164 -7.621 -4.244 1.00 0.19 C ATOM 496 C THR A 32 9.454 -7.846 -2.908 1.00 0.23 C ATOM 497 O THR A 32 10.004 -8.421 -1.990 1.00 0.29 O ATOM 498 CB THR A 32 10.765 -8.943 -4.730 1.00 0.19 C ATOM 499 OG1 THR A 32 11.802 -9.343 -3.846 1.00 0.26 O ATOM 500 CG2 THR A 32 11.334 -8.758 -6.138 1.00 0.23 C ATOM 0 H THR A 32 11.713 -6.637 -3.155 1.00 0.24 H new ATOM 0 HA THR A 32 9.449 -7.255 -4.981 1.00 0.19 H new ATOM 0 HB THR A 32 9.991 -9.710 -4.751 1.00 0.19 H new ATOM 0 HG1 THR A 32 11.496 -9.249 -2.920 1.00 0.26 H new ATOM 0 HG21 THR A 32 11.762 -9.699 -6.484 1.00 0.23 H new ATOM 0 HG22 THR A 32 10.537 -8.451 -6.815 1.00 0.23 H new ATOM 0 HG23 THR A 32 12.109 -7.992 -6.119 1.00 0.23 H new ATOM 508 N VAL A 33 8.235 -7.394 -2.790 1.00 0.30 N ATOM 509 CA VAL A 33 7.491 -7.580 -1.513 1.00 0.35 C ATOM 510 C VAL A 33 6.711 -8.894 -1.561 1.00 0.26 C ATOM 511 O VAL A 33 6.753 -9.617 -2.538 1.00 0.21 O ATOM 512 CB VAL A 33 6.519 -6.417 -1.316 1.00 0.47 C ATOM 513 CG1 VAL A 33 7.176 -5.116 -1.782 1.00 0.39 C ATOM 514 CG2 VAL A 33 5.252 -6.668 -2.137 1.00 0.59 C ATOM 0 H VAL A 33 7.723 -6.904 -3.523 1.00 0.30 H new ATOM 0 HA VAL A 33 8.197 -7.609 -0.683 1.00 0.35 H new ATOM 0 HB VAL A 33 6.261 -6.336 -0.260 1.00 0.47 H new ATOM 0 HG11 VAL A 33 6.482 -4.287 -1.641 1.00 0.39 H new ATOM 0 HG12 VAL A 33 8.080 -4.936 -1.200 1.00 0.39 H new ATOM 0 HG13 VAL A 33 7.435 -5.197 -2.838 1.00 0.39 H new ATOM 0 HG21 VAL A 33 4.558 -5.839 -1.997 1.00 0.59 H new ATOM 0 HG22 VAL A 33 5.512 -6.749 -3.192 1.00 0.59 H new ATOM 0 HG23 VAL A 33 4.782 -7.594 -1.807 1.00 0.59 H new ATOM 524 N THR A 34 5.997 -9.211 -0.516 1.00 0.26 N ATOM 525 CA THR A 34 5.214 -10.478 -0.502 1.00 0.19 C ATOM 526 C THR A 34 3.827 -10.228 -1.097 1.00 0.18 C ATOM 527 O THR A 34 3.123 -9.322 -0.694 1.00 0.23 O ATOM 528 CB THR A 34 5.069 -10.973 0.940 1.00 0.28 C ATOM 529 OG1 THR A 34 6.322 -11.457 1.400 1.00 0.47 O ATOM 530 CG2 THR A 34 4.034 -12.096 0.994 1.00 0.19 C ATOM 0 H THR A 34 5.922 -8.646 0.330 1.00 0.26 H new ATOM 0 HA THR A 34 5.733 -11.232 -1.095 1.00 0.19 H new ATOM 0 HB THR A 34 4.741 -10.151 1.576 1.00 0.28 H new ATOM 0 HG1 THR A 34 6.232 -11.773 2.323 1.00 0.47 H new ATOM 0 HG21 THR A 34 3.932 -12.447 2.021 1.00 0.19 H new ATOM 0 HG22 THR A 34 3.073 -11.722 0.641 1.00 0.19 H new ATOM 0 HG23 THR A 34 4.358 -12.920 0.359 1.00 0.19 H new ATOM 538 N ASP A 35 3.428 -11.021 -2.053 1.00 0.13 N ATOM 539 CA ASP A 35 2.087 -10.827 -2.671 1.00 0.16 C ATOM 540 C ASP A 35 1.001 -11.222 -1.669 1.00 0.22 C ATOM 541 O ASP A 35 1.286 -11.659 -0.571 1.00 0.67 O ATOM 542 CB ASP A 35 1.970 -11.702 -3.922 1.00 0.20 C ATOM 543 CG ASP A 35 0.729 -11.293 -4.717 1.00 0.27 C ATOM 544 OD1 ASP A 35 0.351 -10.135 -4.633 1.00 1.29 O ATOM 545 OD2 ASP A 35 0.178 -12.143 -5.397 1.00 1.02 O ATOM 0 H ASP A 35 3.973 -11.795 -2.433 1.00 0.13 H new ATOM 0 HA ASP A 35 1.963 -9.780 -2.947 1.00 0.16 H new ATOM 0 HB2 ASP A 35 2.862 -11.594 -4.539 1.00 0.20 H new ATOM 0 HB3 ASP A 35 1.904 -12.753 -3.639 1.00 0.20 H new ATOM 550 N ILE A 36 -0.242 -11.073 -2.037 1.00 0.29 N ATOM 551 CA ILE A 36 -1.345 -11.441 -1.104 1.00 0.24 C ATOM 552 C ILE A 36 -2.541 -11.957 -1.907 1.00 0.25 C ATOM 553 O ILE A 36 -3.249 -12.847 -1.480 1.00 0.26 O ATOM 554 CB ILE A 36 -1.764 -10.209 -0.300 1.00 0.22 C ATOM 555 CG1 ILE A 36 -2.239 -9.113 -1.257 1.00 0.23 C ATOM 556 CG2 ILE A 36 -0.571 -9.696 0.508 1.00 0.20 C ATOM 557 CD1 ILE A 36 -2.483 -7.821 -0.474 1.00 0.17 C ATOM 0 H ILE A 36 -0.542 -10.713 -2.943 1.00 0.29 H new ATOM 0 HA ILE A 36 -1.001 -12.220 -0.423 1.00 0.24 H new ATOM 0 HB ILE A 36 -2.574 -10.477 0.378 1.00 0.22 H new ATOM 0 HG12 ILE A 36 -1.492 -8.945 -2.033 1.00 0.23 H new ATOM 0 HG13 ILE A 36 -3.155 -9.425 -1.758 1.00 0.23 H new ATOM 0 HG21 ILE A 36 -0.870 -8.818 1.081 1.00 0.20 H new ATOM 0 HG22 ILE A 36 -0.231 -10.476 1.190 1.00 0.20 H new ATOM 0 HG23 ILE A 36 0.239 -9.428 -0.170 1.00 0.20 H new ATOM 0 HD11 ILE A 36 -2.821 -7.041 -1.156 1.00 0.17 H new ATOM 0 HD12 ILE A 36 -3.245 -7.994 0.286 1.00 0.17 H new ATOM 0 HD13 ILE A 36 -1.557 -7.506 0.007 1.00 0.17 H new ATOM 569 N PHE A 37 -2.771 -11.406 -3.067 1.00 0.27 N ATOM 570 CA PHE A 37 -3.921 -11.866 -3.895 1.00 0.28 C ATOM 571 C PHE A 37 -3.582 -13.214 -4.533 1.00 0.29 C ATOM 572 O PHE A 37 -4.432 -13.878 -5.094 1.00 0.33 O ATOM 573 CB PHE A 37 -4.202 -10.839 -4.993 1.00 0.31 C ATOM 574 CG PHE A 37 -4.144 -9.448 -4.409 1.00 0.17 C ATOM 575 CD1 PHE A 37 -5.177 -8.992 -3.583 1.00 0.13 C ATOM 576 CD2 PHE A 37 -3.057 -8.613 -4.696 1.00 0.23 C ATOM 577 CE1 PHE A 37 -5.122 -7.702 -3.041 1.00 0.16 C ATOM 578 CE2 PHE A 37 -3.002 -7.323 -4.155 1.00 0.18 C ATOM 579 CZ PHE A 37 -4.035 -6.867 -3.327 1.00 0.13 C ATOM 0 H PHE A 37 -2.212 -10.657 -3.477 1.00 0.27 H new ATOM 0 HA PHE A 37 -4.803 -11.974 -3.264 1.00 0.28 H new ATOM 0 HB2 PHE A 37 -3.470 -10.939 -5.795 1.00 0.31 H new ATOM 0 HB3 PHE A 37 -5.183 -11.020 -5.432 1.00 0.31 H new ATOM 0 HD1 PHE A 37 -6.017 -9.635 -3.363 1.00 0.13 H new ATOM 0 HD2 PHE A 37 -2.261 -8.964 -5.335 1.00 0.23 H new ATOM 0 HE1 PHE A 37 -5.919 -7.351 -2.402 1.00 0.16 H new ATOM 0 HE2 PHE A 37 -2.163 -6.680 -4.376 1.00 0.18 H new ATOM 0 HZ PHE A 37 -3.993 -5.872 -2.909 1.00 0.13 H new ATOM 589 N ALA A 38 -2.346 -13.626 -4.452 1.00 0.28 N ATOM 590 CA ALA A 38 -1.955 -14.932 -5.055 1.00 0.31 C ATOM 591 C ALA A 38 -2.062 -16.033 -3.998 1.00 0.13 C ATOM 592 O ALA A 38 -1.481 -17.092 -4.130 1.00 0.34 O ATOM 593 CB ALA A 38 -0.514 -14.848 -5.560 1.00 0.64 C ATOM 0 H ALA A 38 -1.591 -13.115 -3.995 1.00 0.28 H new ATOM 0 HA ALA A 38 -2.619 -15.162 -5.888 1.00 0.31 H new ATOM 0 HB1 ALA A 38 -0.227 -15.802 -6.001 1.00 0.64 H new ATOM 0 HB2 ALA A 38 -0.437 -14.063 -6.312 1.00 0.64 H new ATOM 0 HB3 ALA A 38 0.151 -14.619 -4.727 1.00 0.64 H new ATOM 599 N ALA A 39 -2.802 -15.794 -2.950 1.00 0.20 N ATOM 600 CA ALA A 39 -2.945 -16.827 -1.887 1.00 0.56 C ATOM 601 C ALA A 39 -4.319 -16.691 -1.226 1.00 0.61 C ATOM 602 O ALA A 39 -4.507 -17.060 -0.083 1.00 0.80 O ATOM 603 CB ALA A 39 -1.852 -16.632 -0.835 1.00 0.72 C ATOM 0 H ALA A 39 -3.314 -14.927 -2.784 1.00 0.20 H new ATOM 0 HA ALA A 39 -2.850 -17.819 -2.329 1.00 0.56 H new ATOM 0 HB1 ALA A 39 -1.957 -17.388 -0.057 1.00 0.72 H new ATOM 0 HB2 ALA A 39 -0.873 -16.728 -1.305 1.00 0.72 H new ATOM 0 HB3 ALA A 39 -1.946 -15.640 -0.392 1.00 0.72 H new ATOM 609 N SER A 40 -5.279 -16.165 -1.935 1.00 0.54 N ATOM 610 CA SER A 40 -6.639 -16.006 -1.347 1.00 0.73 C ATOM 611 C SER A 40 -7.340 -17.365 -1.306 1.00 1.24 C ATOM 612 O SER A 40 -7.279 -18.135 -2.244 1.00 2.07 O ATOM 613 CB SER A 40 -7.456 -15.038 -2.205 1.00 1.00 C ATOM 614 OG SER A 40 -8.810 -15.058 -1.775 1.00 1.69 O ATOM 0 H SER A 40 -5.181 -15.838 -2.896 1.00 0.54 H new ATOM 0 HA SER A 40 -6.552 -15.611 -0.335 1.00 0.73 H new ATOM 0 HB2 SER A 40 -7.051 -14.030 -2.122 1.00 1.00 H new ATOM 0 HB3 SER A 40 -7.392 -15.322 -3.255 1.00 1.00 H new ATOM 0 HG SER A 40 -9.336 -14.438 -2.322 1.00 1.69 H new ATOM 620 N LYS A 41 -8.003 -17.668 -0.223 1.00 0.86 N ATOM 621 CA LYS A 41 -8.707 -18.978 -0.122 1.00 1.35 C ATOM 622 C LYS A 41 -9.971 -18.812 0.723 1.00 1.38 C ATOM 623 O LYS A 41 -11.018 -19.340 0.403 1.00 2.16 O ATOM 624 CB LYS A 41 -7.783 -20.003 0.538 1.00 1.63 C ATOM 625 CG LYS A 41 -6.688 -20.413 -0.448 1.00 1.50 C ATOM 626 CD LYS A 41 -5.834 -21.524 0.168 1.00 1.92 C ATOM 627 CE LYS A 41 -4.366 -21.097 0.174 1.00 2.35 C ATOM 628 NZ LYS A 41 -3.917 -20.843 -1.225 1.00 2.09 N ATOM 0 H LYS A 41 -8.087 -17.065 0.596 1.00 0.86 H new ATOM 0 HA LYS A 41 -8.979 -19.323 -1.119 1.00 1.35 H new ATOM 0 HB2 LYS A 41 -7.337 -19.580 1.438 1.00 1.63 H new ATOM 0 HB3 LYS A 41 -8.355 -20.878 0.847 1.00 1.63 H new ATOM 0 HG2 LYS A 41 -7.135 -20.758 -1.381 1.00 1.50 H new ATOM 0 HG3 LYS A 41 -6.064 -19.553 -0.692 1.00 1.50 H new ATOM 0 HD2 LYS A 41 -6.167 -21.732 1.185 1.00 1.92 H new ATOM 0 HD3 LYS A 41 -5.953 -22.446 -0.401 1.00 1.92 H new ATOM 0 HE2 LYS A 41 -4.240 -20.198 0.777 1.00 2.35 H new ATOM 0 HE3 LYS A 41 -3.752 -21.874 0.629 1.00 2.35 H new ATOM 0 HZ1 LYS A 41 -2.889 -20.987 -1.291 1.00 2.09 H new ATOM 0 HZ2 LYS A 41 -4.401 -21.500 -1.870 1.00 2.09 H new ATOM 0 HZ3 LYS A 41 -4.147 -19.864 -1.491 1.00 2.09 H new ATOM 642 N ASP A 42 -9.883 -18.081 1.801 1.00 0.89 N ATOM 643 CA ASP A 42 -11.080 -17.880 2.666 1.00 0.82 C ATOM 644 C ASP A 42 -11.030 -16.483 3.288 1.00 0.66 C ATOM 645 O ASP A 42 -11.791 -16.162 4.179 1.00 0.66 O ATOM 646 CB ASP A 42 -11.089 -18.933 3.777 1.00 0.97 C ATOM 647 CG ASP A 42 -12.517 -19.437 3.992 1.00 1.30 C ATOM 648 OD1 ASP A 42 -13.096 -19.941 3.044 1.00 1.84 O ATOM 649 OD2 ASP A 42 -13.007 -19.310 5.102 1.00 2.17 O ATOM 0 H ASP A 42 -9.034 -17.614 2.120 1.00 0.89 H new ATOM 0 HA ASP A 42 -11.984 -17.978 2.065 1.00 0.82 H new ATOM 0 HB2 ASP A 42 -10.435 -19.764 3.510 1.00 0.97 H new ATOM 0 HB3 ASP A 42 -10.700 -18.505 4.701 1.00 0.97 H new ATOM 654 N THR A 43 -10.140 -15.650 2.823 1.00 0.54 N ATOM 655 CA THR A 43 -10.041 -14.274 3.387 1.00 0.41 C ATOM 656 C THR A 43 -11.079 -13.372 2.716 1.00 0.28 C ATOM 657 O THR A 43 -11.830 -13.803 1.863 1.00 0.85 O ATOM 658 CB THR A 43 -8.639 -13.716 3.130 1.00 0.43 C ATOM 659 OG1 THR A 43 -8.138 -14.246 1.911 1.00 0.66 O ATOM 660 CG2 THR A 43 -7.712 -14.113 4.279 1.00 1.12 C ATOM 0 H THR A 43 -9.477 -15.862 2.077 1.00 0.54 H new ATOM 0 HA THR A 43 -10.228 -14.308 4.460 1.00 0.41 H new ATOM 0 HB THR A 43 -8.686 -12.629 3.063 1.00 0.43 H new ATOM 0 HG1 THR A 43 -7.241 -13.889 1.743 1.00 0.66 H new ATOM 0 HG21 THR A 43 -6.714 -13.715 4.095 1.00 1.12 H new ATOM 0 HG22 THR A 43 -8.098 -13.707 5.214 1.00 1.12 H new ATOM 0 HG23 THR A 43 -7.663 -15.200 4.348 1.00 1.12 H new ATOM 668 N THR A 44 -11.127 -12.124 3.094 1.00 0.69 N ATOM 669 CA THR A 44 -12.117 -11.194 2.479 1.00 0.64 C ATOM 670 C THR A 44 -11.508 -9.794 2.380 1.00 0.54 C ATOM 671 O THR A 44 -10.383 -9.567 2.778 1.00 0.68 O ATOM 672 CB THR A 44 -13.377 -11.141 3.347 1.00 0.54 C ATOM 673 OG1 THR A 44 -13.013 -10.841 4.687 1.00 0.42 O ATOM 674 CG2 THR A 44 -14.087 -12.495 3.299 1.00 0.91 C ATOM 0 H THR A 44 -10.523 -11.708 3.803 1.00 0.69 H new ATOM 0 HA THR A 44 -12.378 -11.549 1.482 1.00 0.64 H new ATOM 0 HB THR A 44 -14.048 -10.368 2.971 1.00 0.54 H new ATOM 0 HG1 THR A 44 -13.818 -10.805 5.244 1.00 0.42 H new ATOM 0 HG21 THR A 44 -14.984 -12.458 3.917 1.00 0.91 H new ATOM 0 HG22 THR A 44 -14.364 -12.724 2.270 1.00 0.91 H new ATOM 0 HG23 THR A 44 -13.419 -13.270 3.676 1.00 0.91 H new ATOM 682 N GLU A 45 -12.242 -8.854 1.851 1.00 0.50 N ATOM 683 CA GLU A 45 -11.704 -7.470 1.725 1.00 0.43 C ATOM 684 C GLU A 45 -11.064 -7.047 3.050 1.00 0.34 C ATOM 685 O GLU A 45 -10.002 -6.459 3.077 1.00 0.35 O ATOM 686 CB GLU A 45 -12.844 -6.509 1.380 1.00 0.32 C ATOM 687 CG GLU A 45 -13.900 -7.245 0.552 1.00 0.33 C ATOM 688 CD GLU A 45 -14.894 -7.935 1.488 1.00 1.19 C ATOM 689 OE1 GLU A 45 -14.568 -8.094 2.652 1.00 2.41 O ATOM 690 OE2 GLU A 45 -15.965 -8.291 1.024 1.00 1.57 O ATOM 0 H GLU A 45 -13.191 -8.984 1.501 1.00 0.50 H new ATOM 0 HA GLU A 45 -10.954 -7.443 0.935 1.00 0.43 H new ATOM 0 HB2 GLU A 45 -13.291 -6.116 2.293 1.00 0.32 H new ATOM 0 HB3 GLU A 45 -12.458 -5.656 0.822 1.00 0.32 H new ATOM 0 HG2 GLU A 45 -14.423 -6.542 -0.097 1.00 0.33 H new ATOM 0 HG3 GLU A 45 -13.422 -7.981 -0.095 1.00 0.33 H new ATOM 697 N LYS A 46 -11.704 -7.342 4.148 1.00 0.27 N ATOM 698 CA LYS A 46 -11.133 -6.958 5.468 1.00 0.19 C ATOM 699 C LYS A 46 -9.727 -7.545 5.608 1.00 0.20 C ATOM 700 O LYS A 46 -8.754 -6.829 5.743 1.00 0.22 O ATOM 701 CB LYS A 46 -12.024 -7.499 6.587 1.00 0.16 C ATOM 702 CG LYS A 46 -13.351 -6.736 6.599 1.00 0.18 C ATOM 703 CD LYS A 46 -13.429 -5.864 7.853 1.00 0.14 C ATOM 704 CE LYS A 46 -14.763 -5.117 7.874 1.00 0.75 C ATOM 705 NZ LYS A 46 -14.513 -3.659 8.053 1.00 1.59 N ATOM 0 H LYS A 46 -12.598 -7.832 4.187 1.00 0.27 H new ATOM 0 HA LYS A 46 -11.081 -5.871 5.537 1.00 0.19 H new ATOM 0 HB2 LYS A 46 -12.206 -8.563 6.439 1.00 0.16 H new ATOM 0 HB3 LYS A 46 -11.523 -7.392 7.549 1.00 0.16 H new ATOM 0 HG2 LYS A 46 -13.434 -6.116 5.707 1.00 0.18 H new ATOM 0 HG3 LYS A 46 -14.186 -7.437 6.578 1.00 0.18 H new ATOM 0 HD2 LYS A 46 -13.333 -6.483 8.745 1.00 0.14 H new ATOM 0 HD3 LYS A 46 -12.602 -5.154 7.867 1.00 0.14 H new ATOM 0 HE2 LYS A 46 -15.305 -5.293 6.945 1.00 0.75 H new ATOM 0 HE3 LYS A 46 -15.389 -5.492 8.684 1.00 0.75 H new ATOM 0 HZ1 LYS A 46 -15.356 -3.210 8.466 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -13.701 -3.521 8.689 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -14.307 -3.226 7.130 1.00 1.59 H new ATOM 719 N GLU A 47 -9.611 -8.845 5.579 1.00 0.19 N ATOM 720 CA GLU A 47 -8.268 -9.476 5.712 1.00 0.20 C ATOM 721 C GLU A 47 -7.378 -9.037 4.546 1.00 0.21 C ATOM 722 O GLU A 47 -6.167 -9.060 4.634 1.00 0.25 O ATOM 723 CB GLU A 47 -8.416 -10.999 5.694 1.00 0.20 C ATOM 724 CG GLU A 47 -8.918 -11.479 7.057 1.00 0.19 C ATOM 725 CD GLU A 47 -9.934 -12.604 6.861 1.00 1.21 C ATOM 726 OE1 GLU A 47 -11.064 -12.301 6.512 1.00 2.51 O ATOM 727 OE2 GLU A 47 -9.567 -13.750 7.064 1.00 1.36 O ATOM 0 H GLU A 47 -10.388 -9.497 5.469 1.00 0.19 H new ATOM 0 HA GLU A 47 -7.813 -9.165 6.653 1.00 0.20 H new ATOM 0 HB2 GLU A 47 -9.114 -11.298 4.912 1.00 0.20 H new ATOM 0 HB3 GLU A 47 -7.458 -11.465 5.462 1.00 0.20 H new ATOM 0 HG2 GLU A 47 -8.082 -11.832 7.661 1.00 0.19 H new ATOM 0 HG3 GLU A 47 -9.376 -10.652 7.599 1.00 0.19 H new ATOM 734 N THR A 48 -7.969 -8.638 3.453 1.00 0.19 N ATOM 735 CA THR A 48 -7.156 -8.199 2.284 1.00 0.20 C ATOM 736 C THR A 48 -6.428 -6.897 2.629 1.00 0.19 C ATOM 737 O THR A 48 -5.244 -6.757 2.401 1.00 0.20 O ATOM 738 CB THR A 48 -8.072 -7.968 1.081 1.00 0.23 C ATOM 739 OG1 THR A 48 -8.938 -9.084 0.927 1.00 0.24 O ATOM 740 CG2 THR A 48 -7.227 -7.797 -0.182 1.00 0.34 C ATOM 0 H THR A 48 -8.979 -8.597 3.319 1.00 0.19 H new ATOM 0 HA THR A 48 -6.426 -8.971 2.040 1.00 0.20 H new ATOM 0 HB THR A 48 -8.664 -7.067 1.242 1.00 0.23 H new ATOM 0 HG1 THR A 48 -9.072 -9.517 1.796 1.00 0.24 H new ATOM 0 HG21 THR A 48 -7.881 -7.633 -1.038 1.00 0.34 H new ATOM 0 HG22 THR A 48 -6.563 -6.941 -0.063 1.00 0.34 H new ATOM 0 HG23 THR A 48 -6.633 -8.696 -0.347 1.00 0.34 H new ATOM 748 N PHE A 49 -7.129 -5.943 3.179 1.00 0.20 N ATOM 749 CA PHE A 49 -6.476 -4.651 3.537 1.00 0.22 C ATOM 750 C PHE A 49 -5.447 -4.891 4.644 1.00 0.20 C ATOM 751 O PHE A 49 -4.435 -4.224 4.720 1.00 0.21 O ATOM 752 CB PHE A 49 -7.534 -3.663 4.031 1.00 0.24 C ATOM 753 CG PHE A 49 -8.551 -3.426 2.938 1.00 0.27 C ATOM 754 CD1 PHE A 49 -8.162 -2.801 1.747 1.00 0.28 C ATOM 755 CD2 PHE A 49 -9.881 -3.829 3.115 1.00 0.30 C ATOM 756 CE1 PHE A 49 -9.102 -2.579 0.733 1.00 0.31 C ATOM 757 CE2 PHE A 49 -10.820 -3.607 2.101 1.00 0.33 C ATOM 758 CZ PHE A 49 -10.432 -2.982 0.911 1.00 0.34 C ATOM 0 H PHE A 49 -8.124 -6.002 3.396 1.00 0.20 H new ATOM 0 HA PHE A 49 -5.978 -4.240 2.659 1.00 0.22 H new ATOM 0 HB2 PHE A 49 -8.026 -4.055 4.921 1.00 0.24 H new ATOM 0 HB3 PHE A 49 -7.064 -2.722 4.315 1.00 0.24 H new ATOM 0 HD1 PHE A 49 -7.137 -2.490 1.610 1.00 0.28 H new ATOM 0 HD2 PHE A 49 -10.182 -4.311 4.034 1.00 0.30 H new ATOM 0 HE1 PHE A 49 -8.802 -2.097 -0.186 1.00 0.31 H new ATOM 0 HE2 PHE A 49 -11.845 -3.918 2.237 1.00 0.33 H new ATOM 0 HZ PHE A 49 -11.158 -2.810 0.130 1.00 0.34 H new ATOM 768 N CYS A 50 -5.699 -5.840 5.505 1.00 0.16 N ATOM 769 CA CYS A 50 -4.735 -6.121 6.607 1.00 0.14 C ATOM 770 C CYS A 50 -3.461 -6.740 6.027 1.00 0.14 C ATOM 771 O CYS A 50 -2.397 -6.155 6.078 1.00 0.09 O ATOM 772 CB CYS A 50 -5.368 -7.096 7.602 1.00 0.15 C ATOM 773 SG CYS A 50 -4.070 -7.862 8.604 1.00 0.23 S ATOM 0 H CYS A 50 -6.530 -6.432 5.493 1.00 0.16 H new ATOM 0 HA CYS A 50 -4.486 -5.190 7.117 1.00 0.14 H new ATOM 0 HB2 CYS A 50 -6.075 -6.570 8.244 1.00 0.15 H new ATOM 0 HB3 CYS A 50 -5.931 -7.862 7.069 1.00 0.15 H new ATOM 778 N ARG A 51 -3.562 -7.919 5.476 1.00 0.21 N ATOM 779 CA ARG A 51 -2.355 -8.574 4.894 1.00 0.24 C ATOM 780 C ARG A 51 -1.605 -7.572 4.015 1.00 0.22 C ATOM 781 O ARG A 51 -0.391 -7.503 4.034 1.00 0.23 O ATOM 782 CB ARG A 51 -2.785 -9.773 4.047 1.00 0.31 C ATOM 783 CG ARG A 51 -3.325 -10.877 4.960 1.00 0.37 C ATOM 784 CD ARG A 51 -4.099 -11.898 4.125 1.00 0.57 C ATOM 785 NE ARG A 51 -3.420 -12.083 2.812 1.00 0.96 N ATOM 786 CZ ARG A 51 -3.720 -13.107 2.061 1.00 1.11 C ATOM 787 NH1 ARG A 51 -4.615 -13.970 2.461 1.00 0.49 N ATOM 788 NH2 ARG A 51 -3.126 -13.270 0.911 1.00 2.20 N ATOM 0 H ARG A 51 -4.426 -8.456 5.404 1.00 0.21 H new ATOM 0 HA ARG A 51 -1.701 -8.912 5.698 1.00 0.24 H new ATOM 0 HB2 ARG A 51 -3.551 -9.471 3.332 1.00 0.31 H new ATOM 0 HB3 ARG A 51 -1.939 -10.146 3.469 1.00 0.31 H new ATOM 0 HG2 ARG A 51 -2.503 -11.367 5.481 1.00 0.37 H new ATOM 0 HG3 ARG A 51 -3.975 -10.447 5.722 1.00 0.37 H new ATOM 0 HD2 ARG A 51 -4.155 -12.849 4.655 1.00 0.57 H new ATOM 0 HD3 ARG A 51 -5.123 -11.557 3.972 1.00 0.57 H new ATOM 0 HE ARG A 51 -2.721 -11.409 2.500 1.00 0.96 H new ATOM 0 HH11 ARG A 51 -5.079 -13.843 3.360 1.00 0.49 H new ATOM 0 HH12 ARG A 51 -4.850 -14.771 1.874 1.00 0.49 H new ATOM 0 HH21 ARG A 51 -2.426 -12.597 0.598 1.00 2.20 H new ATOM 0 HH22 ARG A 51 -3.361 -14.071 0.325 1.00 2.20 H new ATOM 802 N ALA A 52 -2.315 -6.795 3.244 1.00 0.22 N ATOM 803 CA ALA A 52 -1.640 -5.799 2.366 1.00 0.24 C ATOM 804 C ALA A 52 -0.860 -4.805 3.227 1.00 0.17 C ATOM 805 O ALA A 52 0.314 -4.572 3.015 1.00 0.26 O ATOM 806 CB ALA A 52 -2.691 -5.048 1.546 1.00 0.28 C ATOM 0 H ALA A 52 -3.333 -6.807 3.184 1.00 0.22 H new ATOM 0 HA ALA A 52 -0.953 -6.314 1.694 1.00 0.24 H new ATOM 0 HB1 ALA A 52 -2.198 -4.319 0.903 1.00 0.28 H new ATOM 0 HB2 ALA A 52 -3.247 -5.756 0.932 1.00 0.28 H new ATOM 0 HB3 ALA A 52 -3.378 -4.533 2.218 1.00 0.28 H new ATOM 812 N ALA A 53 -1.501 -4.216 4.199 1.00 0.09 N ATOM 813 CA ALA A 53 -0.795 -3.237 5.072 1.00 0.15 C ATOM 814 C ALA A 53 0.395 -3.922 5.748 1.00 0.13 C ATOM 815 O ALA A 53 1.477 -3.374 5.824 1.00 0.14 O ATOM 816 CB ALA A 53 -1.759 -2.718 6.141 1.00 0.24 C ATOM 0 H ALA A 53 -2.483 -4.371 4.426 1.00 0.09 H new ATOM 0 HA ALA A 53 -0.439 -2.402 4.468 1.00 0.15 H new ATOM 0 HB1 ALA A 53 -1.242 -2.002 6.780 1.00 0.24 H new ATOM 0 HB2 ALA A 53 -2.607 -2.230 5.660 1.00 0.24 H new ATOM 0 HB3 ALA A 53 -2.115 -3.552 6.745 1.00 0.24 H new ATOM 822 N THR A 54 0.205 -5.115 6.239 1.00 0.15 N ATOM 823 CA THR A 54 1.326 -5.833 6.909 1.00 0.21 C ATOM 824 C THR A 54 2.565 -5.793 6.012 1.00 0.17 C ATOM 825 O THR A 54 3.661 -5.523 6.463 1.00 0.20 O ATOM 826 CB THR A 54 0.923 -7.289 7.158 1.00 0.28 C ATOM 827 OG1 THR A 54 -0.322 -7.324 7.843 1.00 0.31 O ATOM 828 CG2 THR A 54 1.993 -7.978 8.006 1.00 0.35 C ATOM 0 H THR A 54 -0.678 -5.624 6.205 1.00 0.15 H new ATOM 0 HA THR A 54 1.550 -5.350 7.860 1.00 0.21 H new ATOM 0 HB THR A 54 0.828 -7.808 6.204 1.00 0.28 H new ATOM 0 HG1 THR A 54 -1.043 -7.090 7.222 1.00 0.31 H new ATOM 0 HG21 THR A 54 1.705 -9.014 8.183 1.00 0.35 H new ATOM 0 HG22 THR A 54 2.947 -7.951 7.480 1.00 0.35 H new ATOM 0 HG23 THR A 54 2.090 -7.460 8.960 1.00 0.35 H new ATOM 836 N VAL A 55 2.400 -6.058 4.746 1.00 0.14 N ATOM 837 CA VAL A 55 3.568 -6.035 3.820 1.00 0.17 C ATOM 838 C VAL A 55 4.140 -4.617 3.757 1.00 0.11 C ATOM 839 O VAL A 55 5.289 -4.385 4.081 1.00 0.09 O ATOM 840 CB VAL A 55 3.119 -6.467 2.424 1.00 0.24 C ATOM 841 CG1 VAL A 55 4.309 -6.409 1.465 1.00 0.27 C ATOM 842 CG2 VAL A 55 2.581 -7.897 2.481 1.00 0.30 C ATOM 0 H VAL A 55 1.507 -6.290 4.312 1.00 0.14 H new ATOM 0 HA VAL A 55 4.334 -6.720 4.183 1.00 0.17 H new ATOM 0 HB VAL A 55 2.335 -5.797 2.072 1.00 0.24 H new ATOM 0 HG11 VAL A 55 3.989 -6.717 0.469 1.00 0.27 H new ATOM 0 HG12 VAL A 55 4.694 -5.390 1.424 1.00 0.27 H new ATOM 0 HG13 VAL A 55 5.093 -7.079 1.818 1.00 0.27 H new ATOM 0 HG21 VAL A 55 2.261 -8.205 1.486 1.00 0.30 H new ATOM 0 HG22 VAL A 55 3.365 -8.567 2.834 1.00 0.30 H new ATOM 0 HG23 VAL A 55 1.733 -7.940 3.164 1.00 0.30 H new ATOM 852 N LEU A 56 3.348 -3.666 3.343 1.00 0.10 N ATOM 853 CA LEU A 56 3.847 -2.265 3.261 1.00 0.12 C ATOM 854 C LEU A 56 4.575 -1.907 4.558 1.00 0.10 C ATOM 855 O LEU A 56 5.511 -1.133 4.562 1.00 0.16 O ATOM 856 CB LEU A 56 2.666 -1.311 3.060 1.00 0.14 C ATOM 857 CG LEU A 56 1.838 -1.765 1.856 1.00 0.28 C ATOM 858 CD1 LEU A 56 0.658 -0.812 1.658 1.00 0.19 C ATOM 859 CD2 LEU A 56 2.714 -1.754 0.600 1.00 0.55 C ATOM 0 H LEU A 56 2.378 -3.799 3.058 1.00 0.10 H new ATOM 0 HA LEU A 56 4.534 -2.174 2.420 1.00 0.12 H new ATOM 0 HB2 LEU A 56 2.044 -1.292 3.955 1.00 0.14 H new ATOM 0 HB3 LEU A 56 3.029 -0.295 2.902 1.00 0.14 H new ATOM 0 HG LEU A 56 1.466 -2.774 2.033 1.00 0.28 H new ATOM 0 HD11 LEU A 56 0.069 -1.136 0.800 1.00 0.19 H new ATOM 0 HD12 LEU A 56 0.033 -0.817 2.551 1.00 0.19 H new ATOM 0 HD13 LEU A 56 1.031 0.197 1.482 1.00 0.19 H new ATOM 0 HD21 LEU A 56 2.124 -2.077 -0.258 1.00 0.55 H new ATOM 0 HD22 LEU A 56 3.086 -0.745 0.425 1.00 0.55 H new ATOM 0 HD23 LEU A 56 3.556 -2.432 0.738 1.00 0.55 H new ATOM 871 N ARG A 57 4.156 -2.466 5.658 1.00 0.06 N ATOM 872 CA ARG A 57 4.828 -2.157 6.950 1.00 0.14 C ATOM 873 C ARG A 57 6.279 -2.637 6.898 1.00 0.11 C ATOM 874 O ARG A 57 7.206 -1.856 6.987 1.00 0.12 O ATOM 875 CB ARG A 57 4.095 -2.871 8.090 1.00 0.19 C ATOM 876 CG ARG A 57 3.510 -1.833 9.049 1.00 0.89 C ATOM 877 CD ARG A 57 2.824 -2.546 10.216 1.00 1.01 C ATOM 878 NE ARG A 57 1.809 -3.501 9.686 1.00 2.35 N ATOM 879 CZ ARG A 57 1.315 -4.425 10.465 1.00 2.51 C ATOM 880 NH1 ARG A 57 1.708 -4.512 11.705 1.00 1.11 N ATOM 881 NH2 ARG A 57 0.428 -5.262 10.001 1.00 4.13 N ATOM 0 H ARG A 57 3.378 -3.123 5.718 1.00 0.06 H new ATOM 0 HA ARG A 57 4.807 -1.081 7.122 1.00 0.14 H new ATOM 0 HB2 ARG A 57 3.300 -3.499 7.688 1.00 0.19 H new ATOM 0 HB3 ARG A 57 4.782 -3.528 8.623 1.00 0.19 H new ATOM 0 HG2 ARG A 57 4.300 -1.180 9.421 1.00 0.89 H new ATOM 0 HG3 ARG A 57 2.794 -1.200 8.524 1.00 0.89 H new ATOM 0 HD2 ARG A 57 3.562 -3.079 10.816 1.00 1.01 H new ATOM 0 HD3 ARG A 57 2.347 -1.818 10.871 1.00 1.01 H new ATOM 0 HE ARG A 57 1.501 -3.433 8.716 1.00 2.35 H new ATOM 0 HH11 ARG A 57 2.402 -3.858 12.067 1.00 1.11 H new ATOM 0 HH12 ARG A 57 1.322 -5.234 12.313 1.00 1.11 H new ATOM 0 HH21 ARG A 57 0.121 -5.194 9.031 1.00 4.13 H new ATOM 0 HH22 ARG A 57 0.041 -5.984 10.609 1.00 4.13 H new ATOM 895 N GLN A 58 6.484 -3.918 6.755 1.00 0.07 N ATOM 896 CA GLN A 58 7.876 -4.450 6.700 1.00 0.04 C ATOM 897 C GLN A 58 8.583 -3.925 5.448 1.00 0.08 C ATOM 898 O GLN A 58 9.745 -4.197 5.224 1.00 0.11 O ATOM 899 CB GLN A 58 7.834 -5.979 6.657 1.00 0.06 C ATOM 900 CG GLN A 58 6.847 -6.433 5.580 1.00 0.33 C ATOM 901 CD GLN A 58 7.041 -7.926 5.306 1.00 0.56 C ATOM 902 OE1 GLN A 58 7.164 -8.712 6.223 1.00 1.37 O ATOM 903 NE2 GLN A 58 7.072 -8.351 4.073 1.00 0.93 N ATOM 0 H GLN A 58 5.748 -4.619 6.674 1.00 0.07 H new ATOM 0 HA GLN A 58 8.422 -4.122 7.585 1.00 0.04 H new ATOM 0 HB2 GLN A 58 8.827 -6.375 6.445 1.00 0.06 H new ATOM 0 HB3 GLN A 58 7.535 -6.373 7.628 1.00 0.06 H new ATOM 0 HG2 GLN A 58 5.824 -6.242 5.905 1.00 0.33 H new ATOM 0 HG3 GLN A 58 7.002 -5.861 4.665 1.00 0.33 H new ATOM 0 HE21 GLN A 58 6.969 -7.690 3.303 1.00 0.93 H new ATOM 0 HE22 GLN A 58 7.200 -9.344 3.879 1.00 0.93 H new ATOM 912 N PHE A 59 7.895 -3.177 4.630 1.00 0.11 N ATOM 913 CA PHE A 59 8.539 -2.644 3.395 1.00 0.18 C ATOM 914 C PHE A 59 9.284 -1.346 3.718 1.00 0.22 C ATOM 915 O PHE A 59 10.498 -1.303 3.724 1.00 0.26 O ATOM 916 CB PHE A 59 7.471 -2.367 2.335 1.00 0.20 C ATOM 917 CG PHE A 59 8.138 -1.967 1.041 1.00 0.24 C ATOM 918 CD1 PHE A 59 8.667 -2.948 0.193 1.00 0.24 C ATOM 919 CD2 PHE A 59 8.228 -0.616 0.689 1.00 0.30 C ATOM 920 CE1 PHE A 59 9.286 -2.576 -1.006 1.00 0.28 C ATOM 921 CE2 PHE A 59 8.847 -0.244 -0.511 1.00 0.33 C ATOM 922 CZ PHE A 59 9.376 -1.225 -1.358 1.00 0.32 C ATOM 0 H PHE A 59 6.919 -2.912 4.762 1.00 0.11 H new ATOM 0 HA PHE A 59 9.246 -3.382 3.015 1.00 0.18 H new ATOM 0 HB2 PHE A 59 6.857 -3.255 2.181 1.00 0.20 H new ATOM 0 HB3 PHE A 59 6.805 -1.574 2.673 1.00 0.20 H new ATOM 0 HD1 PHE A 59 8.597 -3.991 0.464 1.00 0.24 H new ATOM 0 HD2 PHE A 59 7.820 0.140 1.343 1.00 0.30 H new ATOM 0 HE1 PHE A 59 9.694 -3.332 -1.660 1.00 0.28 H new ATOM 0 HE2 PHE A 59 8.916 0.799 -0.783 1.00 0.33 H new ATOM 0 HZ PHE A 59 9.854 -0.939 -2.283 1.00 0.32 H new ATOM 932 N TYR A 60 8.570 -0.284 3.980 1.00 0.23 N ATOM 933 CA TYR A 60 9.246 1.007 4.293 1.00 0.28 C ATOM 934 C TYR A 60 9.861 0.946 5.693 1.00 0.30 C ATOM 935 O TYR A 60 10.553 1.851 6.114 1.00 0.36 O ATOM 936 CB TYR A 60 8.228 2.150 4.229 1.00 0.29 C ATOM 937 CG TYR A 60 7.183 1.966 5.303 1.00 0.27 C ATOM 938 CD1 TYR A 60 7.459 2.343 6.623 1.00 0.28 C ATOM 939 CD2 TYR A 60 5.936 1.421 4.978 1.00 0.23 C ATOM 940 CE1 TYR A 60 6.488 2.174 7.617 1.00 0.27 C ATOM 941 CE2 TYR A 60 4.964 1.251 5.971 1.00 0.22 C ATOM 942 CZ TYR A 60 5.240 1.627 7.291 1.00 0.24 C ATOM 943 OH TYR A 60 4.283 1.460 8.270 1.00 0.23 O ATOM 0 H TYR A 60 7.550 -0.255 3.991 1.00 0.23 H new ATOM 0 HA TYR A 60 10.035 1.183 3.562 1.00 0.28 H new ATOM 0 HB2 TYR A 60 8.733 3.107 4.361 1.00 0.29 H new ATOM 0 HB3 TYR A 60 7.754 2.172 3.248 1.00 0.29 H new ATOM 0 HD1 TYR A 60 8.421 2.764 6.874 1.00 0.28 H new ATOM 0 HD2 TYR A 60 5.723 1.131 3.960 1.00 0.23 H new ATOM 0 HE1 TYR A 60 6.701 2.465 8.635 1.00 0.27 H new ATOM 0 HE2 TYR A 60 4.002 0.830 5.719 1.00 0.22 H new ATOM 0 HH TYR A 60 3.493 1.026 7.885 1.00 0.23 H new ATOM 953 N SER A 61 9.617 -0.110 6.420 1.00 0.25 N ATOM 954 CA SER A 61 10.194 -0.217 7.789 1.00 0.27 C ATOM 955 C SER A 61 11.552 -0.917 7.722 1.00 0.28 C ATOM 956 O SER A 61 12.489 -0.541 8.398 1.00 0.34 O ATOM 957 CB SER A 61 9.250 -1.023 8.682 1.00 0.21 C ATOM 958 OG SER A 61 7.970 -0.403 8.693 1.00 0.27 O ATOM 0 H SER A 61 9.044 -0.901 6.126 1.00 0.25 H new ATOM 0 HA SER A 61 10.322 0.783 8.204 1.00 0.27 H new ATOM 0 HB2 SER A 61 9.168 -2.046 8.315 1.00 0.21 H new ATOM 0 HB3 SER A 61 9.648 -1.079 9.695 1.00 0.21 H new ATOM 0 HG SER A 61 7.482 -0.645 7.878 1.00 0.27 H new ATOM 964 N HIS A 62 11.668 -1.933 6.911 1.00 0.26 N ATOM 965 CA HIS A 62 12.967 -2.656 6.804 1.00 0.32 C ATOM 966 C HIS A 62 13.822 -2.017 5.708 1.00 0.41 C ATOM 967 O HIS A 62 15.009 -2.262 5.612 1.00 0.84 O ATOM 968 CB HIS A 62 12.708 -4.123 6.457 1.00 0.32 C ATOM 969 CG HIS A 62 12.025 -4.801 7.613 1.00 0.51 C ATOM 970 ND1 HIS A 62 10.660 -5.043 7.627 1.00 1.69 N ATOM 971 CD2 HIS A 62 12.505 -5.292 8.802 1.00 0.44 C ATOM 972 CE1 HIS A 62 10.370 -5.655 8.790 1.00 1.65 C ATOM 973 NE2 HIS A 62 11.458 -5.831 9.543 1.00 0.64 N ATOM 0 H HIS A 62 10.920 -2.293 6.318 1.00 0.26 H new ATOM 0 HA HIS A 62 13.494 -2.594 7.756 1.00 0.32 H new ATOM 0 HB2 HIS A 62 12.088 -4.192 5.563 1.00 0.32 H new ATOM 0 HB3 HIS A 62 13.649 -4.626 6.231 1.00 0.32 H new ATOM 0 HD2 HIS A 62 13.538 -5.264 9.115 1.00 0.44 H new ATOM 0 HE1 HIS A 62 9.377 -5.966 9.079 1.00 1.65 H new ATOM 0 HE2 HIS A 62 11.511 -6.267 10.464 1.00 0.64 H new ATOM 981 N HIS A 63 13.232 -1.202 4.878 1.00 0.12 N ATOM 982 CA HIS A 63 14.014 -0.552 3.789 1.00 0.11 C ATOM 983 C HIS A 63 14.533 0.806 4.268 1.00 0.14 C ATOM 984 O HIS A 63 15.693 1.129 4.105 1.00 0.20 O ATOM 985 CB HIS A 63 13.117 -0.351 2.565 1.00 0.11 C ATOM 986 CG HIS A 63 12.837 -1.684 1.926 1.00 0.15 C ATOM 987 ND1 HIS A 63 13.828 -2.635 1.735 1.00 0.06 N ATOM 988 CD2 HIS A 63 11.684 -2.239 1.430 1.00 0.28 C ATOM 989 CE1 HIS A 63 13.258 -3.702 1.146 1.00 0.13 C ATOM 990 NE2 HIS A 63 11.952 -3.514 0.938 1.00 0.26 N ATOM 0 H HIS A 63 12.242 -0.958 4.907 1.00 0.12 H new ATOM 0 HA HIS A 63 14.858 -1.188 3.522 1.00 0.11 H new ATOM 0 HB2 HIS A 63 12.183 0.127 2.860 1.00 0.11 H new ATOM 0 HB3 HIS A 63 13.603 0.313 1.850 1.00 0.11 H new ATOM 0 HD2 HIS A 63 10.716 -1.760 1.422 1.00 0.28 H new ATOM 0 HE1 HIS A 63 13.791 -4.601 0.874 1.00 0.13 H new ATOM 0 HE2 HIS A 63 11.293 -4.164 0.511 1.00 0.26 H new ATOM 998 N GLU A 64 13.685 1.602 4.862 1.00 0.15 N ATOM 999 CA GLU A 64 14.133 2.937 5.351 1.00 0.23 C ATOM 1000 C GLU A 64 15.441 2.774 6.128 1.00 0.30 C ATOM 1001 O GLU A 64 16.353 3.567 6.003 1.00 0.60 O ATOM 1002 CB GLU A 64 13.053 3.529 6.267 1.00 0.28 C ATOM 1003 CG GLU A 64 13.563 4.810 6.940 1.00 0.35 C ATOM 1004 CD GLU A 64 14.104 5.776 5.883 1.00 2.26 C ATOM 1005 OE1 GLU A 64 15.214 5.560 5.424 1.00 3.44 O ATOM 1006 OE2 GLU A 64 13.400 6.716 5.553 1.00 3.10 O ATOM 0 H GLU A 64 12.702 1.385 5.029 1.00 0.15 H new ATOM 0 HA GLU A 64 14.295 3.607 4.507 1.00 0.23 H new ATOM 0 HB2 GLU A 64 12.156 3.748 5.687 1.00 0.28 H new ATOM 0 HB3 GLU A 64 12.772 2.799 7.026 1.00 0.28 H new ATOM 0 HG2 GLU A 64 12.756 5.284 7.498 1.00 0.35 H new ATOM 0 HG3 GLU A 64 14.347 4.567 7.657 1.00 0.35 H new ATOM 1013 N LYS A 65 15.541 1.751 6.931 1.00 0.10 N ATOM 1014 CA LYS A 65 16.789 1.538 7.716 1.00 0.12 C ATOM 1015 C LYS A 65 17.874 0.967 6.801 1.00 0.14 C ATOM 1016 O LYS A 65 19.054 1.142 7.035 1.00 0.26 O ATOM 1017 CB LYS A 65 16.516 0.553 8.856 1.00 0.09 C ATOM 1018 CG LYS A 65 15.248 0.975 9.603 1.00 0.39 C ATOM 1019 CD LYS A 65 15.539 1.042 11.103 1.00 0.84 C ATOM 1020 CE LYS A 65 16.482 2.212 11.391 1.00 2.44 C ATOM 1021 NZ LYS A 65 15.765 3.244 12.191 1.00 2.83 N ATOM 0 H LYS A 65 14.812 1.053 7.077 1.00 0.10 H new ATOM 0 HA LYS A 65 17.123 2.489 8.130 1.00 0.12 H new ATOM 0 HB2 LYS A 65 16.398 -0.455 8.459 1.00 0.09 H new ATOM 0 HB3 LYS A 65 17.364 0.529 9.541 1.00 0.09 H new ATOM 0 HG2 LYS A 65 14.908 1.946 9.244 1.00 0.39 H new ATOM 0 HG3 LYS A 65 14.445 0.264 9.409 1.00 0.39 H new ATOM 0 HD2 LYS A 65 14.610 1.166 11.659 1.00 0.84 H new ATOM 0 HD3 LYS A 65 15.989 0.108 11.438 1.00 0.84 H new ATOM 0 HE2 LYS A 65 17.359 1.860 11.934 1.00 2.44 H new ATOM 0 HE3 LYS A 65 16.838 2.644 10.456 1.00 2.44 H new ATOM 0 HZ1 LYS A 65 16.406 4.039 12.387 1.00 2.83 H new ATOM 0 HZ2 LYS A 65 14.941 3.587 11.657 1.00 2.83 H new ATOM 0 HZ3 LYS A 65 15.446 2.827 13.089 1.00 2.83 H new ATOM 1035 N ASP A 66 17.485 0.286 5.757 1.00 0.12 N ATOM 1036 CA ASP A 66 18.496 -0.296 4.828 1.00 0.23 C ATOM 1037 C ASP A 66 18.998 0.791 3.877 1.00 0.28 C ATOM 1038 O ASP A 66 18.257 1.664 3.469 1.00 0.26 O ATOM 1039 CB ASP A 66 17.853 -1.423 4.018 1.00 0.29 C ATOM 1040 CG ASP A 66 18.935 -2.402 3.559 1.00 0.49 C ATOM 1041 OD1 ASP A 66 20.027 -1.950 3.260 1.00 1.19 O ATOM 1042 OD2 ASP A 66 18.652 -3.588 3.514 1.00 1.26 O ATOM 0 H ASP A 66 16.512 0.108 5.507 1.00 0.12 H new ATOM 0 HA ASP A 66 19.333 -0.692 5.403 1.00 0.23 H new ATOM 0 HB2 ASP A 66 17.110 -1.943 4.624 1.00 0.29 H new ATOM 0 HB3 ASP A 66 17.329 -1.012 3.155 1.00 0.29 H new ATOM 1047 N THR A 67 20.254 0.748 3.522 1.00 0.35 N ATOM 1048 CA THR A 67 20.801 1.779 2.596 1.00 0.40 C ATOM 1049 C THR A 67 20.564 1.345 1.150 1.00 0.45 C ATOM 1050 O THR A 67 21.449 1.412 0.318 1.00 0.57 O ATOM 1051 CB THR A 67 22.304 1.939 2.842 1.00 0.51 C ATOM 1052 OG1 THR A 67 22.817 2.950 1.985 1.00 1.62 O ATOM 1053 CG2 THR A 67 23.013 0.615 2.555 1.00 2.57 C ATOM 0 H THR A 67 20.924 0.044 3.833 1.00 0.35 H new ATOM 0 HA THR A 67 20.300 2.730 2.775 1.00 0.40 H new ATOM 0 HB THR A 67 22.475 2.222 3.881 1.00 0.51 H new ATOM 0 HG1 THR A 67 22.646 2.706 1.052 1.00 1.62 H new ATOM 0 HG21 THR A 67 24.083 0.730 2.730 1.00 2.57 H new ATOM 0 HG22 THR A 67 22.618 -0.159 3.213 1.00 2.57 H new ATOM 0 HG23 THR A 67 22.844 0.329 1.517 1.00 2.57 H new ATOM 1061 N ARG A 68 19.375 0.900 0.842 1.00 0.38 N ATOM 1062 CA ARG A 68 19.079 0.460 -0.551 1.00 0.47 C ATOM 1063 C ARG A 68 18.435 1.611 -1.328 1.00 0.36 C ATOM 1064 O ARG A 68 18.970 2.083 -2.311 1.00 0.32 O ATOM 1065 CB ARG A 68 18.115 -0.729 -0.514 1.00 0.55 C ATOM 1066 CG ARG A 68 18.819 -1.940 0.104 1.00 0.63 C ATOM 1067 CD ARG A 68 17.797 -3.056 0.355 1.00 2.20 C ATOM 1068 NE ARG A 68 18.297 -4.367 -0.185 1.00 2.40 N ATOM 1069 CZ ARG A 68 18.663 -4.502 -1.433 1.00 1.98 C ATOM 1070 NH1 ARG A 68 18.517 -3.517 -2.275 1.00 1.94 N ATOM 1071 NH2 ARG A 68 19.152 -5.640 -1.845 1.00 2.32 N ATOM 0 H ARG A 68 18.596 0.822 1.496 1.00 0.38 H new ATOM 0 HA ARG A 68 20.006 0.165 -1.042 1.00 0.47 H new ATOM 0 HB2 ARG A 68 17.229 -0.474 0.068 1.00 0.55 H new ATOM 0 HB3 ARG A 68 17.776 -0.968 -1.522 1.00 0.55 H new ATOM 0 HG2 ARG A 68 19.605 -2.296 -0.562 1.00 0.63 H new ATOM 0 HG3 ARG A 68 19.299 -1.656 1.040 1.00 0.63 H new ATOM 0 HD2 ARG A 68 17.606 -3.147 1.424 1.00 2.20 H new ATOM 0 HD3 ARG A 68 16.849 -2.800 -0.118 1.00 2.20 H new ATOM 0 HE ARG A 68 18.352 -5.172 0.439 1.00 2.40 H new ATOM 0 HH11 ARG A 68 18.115 -2.634 -1.962 1.00 1.94 H new ATOM 0 HH12 ARG A 68 18.805 -3.630 -3.247 1.00 1.94 H new ATOM 0 HH21 ARG A 68 19.247 -6.420 -1.194 1.00 2.32 H new ATOM 0 HH22 ARG A 68 19.439 -5.750 -2.818 1.00 2.32 H new ATOM 1085 N CYS A 69 17.290 2.063 -0.895 1.00 0.32 N ATOM 1086 CA CYS A 69 16.610 3.179 -1.612 1.00 0.24 C ATOM 1087 C CYS A 69 16.999 4.516 -0.974 1.00 0.25 C ATOM 1088 O CYS A 69 16.296 5.499 -1.095 1.00 0.40 O ATOM 1089 CB CYS A 69 15.094 2.992 -1.518 1.00 0.38 C ATOM 1090 SG CYS A 69 14.708 1.223 -1.503 1.00 0.20 S ATOM 0 H CYS A 69 16.796 1.708 -0.076 1.00 0.32 H new ATOM 0 HA CYS A 69 16.916 3.177 -2.658 1.00 0.24 H new ATOM 0 HB2 CYS A 69 14.713 3.467 -0.614 1.00 0.38 H new ATOM 0 HB3 CYS A 69 14.603 3.476 -2.363 1.00 0.38 H new ATOM 1095 N LEU A 70 18.117 4.562 -0.300 1.00 0.20 N ATOM 1096 CA LEU A 70 18.546 5.839 0.339 1.00 0.25 C ATOM 1097 C LEU A 70 19.434 6.618 -0.634 1.00 0.31 C ATOM 1098 O LEU A 70 19.286 7.812 -0.804 1.00 0.48 O ATOM 1099 CB LEU A 70 19.335 5.536 1.617 1.00 0.27 C ATOM 1100 CG LEU A 70 18.373 5.345 2.797 1.00 0.25 C ATOM 1101 CD1 LEU A 70 19.149 4.828 4.009 1.00 0.38 C ATOM 1102 CD2 LEU A 70 17.706 6.678 3.161 1.00 0.29 C ATOM 0 H LEU A 70 18.750 3.773 -0.165 1.00 0.20 H new ATOM 0 HA LEU A 70 17.667 6.433 0.590 1.00 0.25 H new ATOM 0 HB2 LEU A 70 19.936 4.637 1.478 1.00 0.27 H new ATOM 0 HB3 LEU A 70 20.026 6.352 1.829 1.00 0.27 H new ATOM 0 HG LEU A 70 17.605 4.626 2.511 1.00 0.25 H new ATOM 0 HD11 LEU A 70 18.466 4.692 4.847 1.00 0.38 H new ATOM 0 HD12 LEU A 70 19.615 3.874 3.763 1.00 0.38 H new ATOM 0 HD13 LEU A 70 19.920 5.549 4.282 1.00 0.38 H new ATOM 0 HD21 LEU A 70 17.026 6.528 4.000 1.00 0.29 H new ATOM 0 HD22 LEU A 70 18.471 7.403 3.439 1.00 0.29 H new ATOM 0 HD23 LEU A 70 17.147 7.051 2.303 1.00 0.29 H new ATOM 1114 N GLY A 71 20.355 5.952 -1.274 1.00 0.37 N ATOM 1115 CA GLY A 71 21.252 6.656 -2.234 1.00 0.49 C ATOM 1116 C GLY A 71 22.287 7.474 -1.462 1.00 0.42 C ATOM 1117 O GLY A 71 22.635 7.156 -0.343 1.00 0.33 O ATOM 0 H GLY A 71 20.525 4.951 -1.174 1.00 0.37 H new ATOM 0 HA2 GLY A 71 21.752 5.932 -2.878 1.00 0.49 H new ATOM 0 HA3 GLY A 71 20.667 7.309 -2.882 1.00 0.49 H new ATOM 1121 N ALA A 72 22.783 8.528 -2.051 1.00 0.51 N ATOM 1122 CA ALA A 72 23.796 9.366 -1.349 1.00 0.48 C ATOM 1123 C ALA A 72 23.630 10.827 -1.771 1.00 0.45 C ATOM 1124 O ALA A 72 23.821 11.735 -0.988 1.00 0.60 O ATOM 1125 CB ALA A 72 25.201 8.886 -1.719 1.00 0.46 C ATOM 0 H ALA A 72 22.531 8.845 -2.987 1.00 0.51 H new ATOM 0 HA ALA A 72 23.654 9.280 -0.272 1.00 0.48 H new ATOM 0 HB1 ALA A 72 25.942 9.499 -1.206 1.00 0.46 H new ATOM 0 HB2 ALA A 72 25.321 7.845 -1.419 1.00 0.46 H new ATOM 0 HB3 ALA A 72 25.343 8.972 -2.796 1.00 0.46 H new ATOM 1131 N THR A 73 23.273 11.062 -3.005 1.00 0.36 N ATOM 1132 CA THR A 73 23.094 12.464 -3.474 1.00 0.39 C ATOM 1133 C THR A 73 22.189 13.218 -2.498 1.00 0.41 C ATOM 1134 O THR A 73 21.668 12.651 -1.558 1.00 0.48 O ATOM 1135 CB THR A 73 22.455 12.460 -4.865 1.00 0.47 C ATOM 1136 OG1 THR A 73 22.725 11.220 -5.504 1.00 0.82 O ATOM 1137 CG2 THR A 73 23.034 13.603 -5.698 1.00 1.46 C ATOM 0 H THR A 73 23.098 10.343 -3.707 1.00 0.36 H new ATOM 0 HA THR A 73 24.065 12.957 -3.522 1.00 0.39 H new ATOM 0 HB THR A 73 21.377 12.594 -4.771 1.00 0.47 H new ATOM 0 HG1 THR A 73 22.315 11.215 -6.394 1.00 0.82 H new ATOM 0 HG21 THR A 73 22.578 13.599 -6.688 1.00 1.46 H new ATOM 0 HG22 THR A 73 22.826 14.553 -5.206 1.00 1.46 H new ATOM 0 HG23 THR A 73 24.112 13.473 -5.794 1.00 1.46 H new ATOM 1145 N ALA A 74 21.997 14.490 -2.713 1.00 0.39 N ATOM 1146 CA ALA A 74 21.126 15.277 -1.796 1.00 0.41 C ATOM 1147 C ALA A 74 19.682 15.237 -2.303 1.00 0.35 C ATOM 1148 O ALA A 74 18.744 15.379 -1.544 1.00 0.41 O ATOM 1149 CB ALA A 74 21.611 16.728 -1.751 1.00 0.45 C ATOM 0 H ALA A 74 22.406 15.018 -3.484 1.00 0.39 H new ATOM 0 HA ALA A 74 21.171 14.848 -0.795 1.00 0.41 H new ATOM 0 HB1 ALA A 74 20.974 17.304 -1.080 1.00 0.45 H new ATOM 0 HB2 ALA A 74 22.639 16.757 -1.389 1.00 0.45 H new ATOM 0 HB3 ALA A 74 21.566 17.158 -2.752 1.00 0.45 H new ATOM 1155 N GLN A 75 19.497 15.046 -3.580 1.00 0.28 N ATOM 1156 CA GLN A 75 18.114 14.999 -4.134 1.00 0.29 C ATOM 1157 C GLN A 75 17.491 13.635 -3.832 1.00 0.25 C ATOM 1158 O GLN A 75 16.312 13.527 -3.558 1.00 0.30 O ATOM 1159 CB GLN A 75 18.162 15.215 -5.647 1.00 0.35 C ATOM 1160 CG GLN A 75 18.655 13.938 -6.331 1.00 0.59 C ATOM 1161 CD GLN A 75 19.139 14.269 -7.744 1.00 0.76 C ATOM 1162 OE1 GLN A 75 20.131 14.950 -7.915 1.00 0.45 O ATOM 1163 NE2 GLN A 75 18.477 13.813 -8.771 1.00 1.81 N ATOM 0 H GLN A 75 20.243 14.920 -4.264 1.00 0.28 H new ATOM 0 HA GLN A 75 17.512 15.783 -3.675 1.00 0.29 H new ATOM 0 HB2 GLN A 75 17.172 15.480 -6.019 1.00 0.35 H new ATOM 0 HB3 GLN A 75 18.825 16.047 -5.885 1.00 0.35 H new ATOM 0 HG2 GLN A 75 19.465 13.493 -5.753 1.00 0.59 H new ATOM 0 HG3 GLN A 75 17.852 13.202 -6.373 1.00 0.59 H new ATOM 0 HE21 GLN A 75 17.644 13.241 -8.628 1.00 1.81 H new ATOM 0 HE22 GLN A 75 18.792 14.028 -9.717 1.00 1.81 H new ATOM 1172 N GLN A 76 18.272 12.591 -3.879 1.00 0.21 N ATOM 1173 CA GLN A 76 17.722 11.235 -3.595 1.00 0.24 C ATOM 1174 C GLN A 76 17.422 11.110 -2.101 1.00 0.25 C ATOM 1175 O GLN A 76 16.551 10.367 -1.693 1.00 0.27 O ATOM 1176 CB GLN A 76 18.748 10.174 -4.000 1.00 0.32 C ATOM 1177 CG GLN A 76 18.158 9.286 -5.098 1.00 0.70 C ATOM 1178 CD GLN A 76 19.188 8.233 -5.512 1.00 1.23 C ATOM 1179 OE1 GLN A 76 19.052 7.071 -5.182 1.00 1.24 O ATOM 1180 NE2 GLN A 76 20.219 8.593 -6.226 1.00 2.61 N ATOM 0 H GLN A 76 19.267 12.618 -4.102 1.00 0.21 H new ATOM 0 HA GLN A 76 16.804 11.088 -4.164 1.00 0.24 H new ATOM 0 HB2 GLN A 76 19.661 10.652 -4.356 1.00 0.32 H new ATOM 0 HB3 GLN A 76 19.021 9.569 -3.136 1.00 0.32 H new ATOM 0 HG2 GLN A 76 17.250 8.801 -4.739 1.00 0.70 H new ATOM 0 HG3 GLN A 76 17.876 9.893 -5.959 1.00 0.70 H new ATOM 0 HE21 GLN A 76 20.332 9.568 -6.503 1.00 2.61 H new ATOM 0 HE22 GLN A 76 20.912 7.899 -6.508 1.00 2.61 H new ATOM 1189 N PHE A 77 18.137 11.830 -1.280 1.00 0.28 N ATOM 1190 CA PHE A 77 17.892 11.751 0.188 1.00 0.30 C ATOM 1191 C PHE A 77 16.484 12.267 0.498 1.00 0.25 C ATOM 1192 O PHE A 77 15.750 11.674 1.261 1.00 0.33 O ATOM 1193 CB PHE A 77 18.923 12.609 0.923 1.00 0.34 C ATOM 1194 CG PHE A 77 18.637 12.580 2.406 1.00 0.44 C ATOM 1195 CD1 PHE A 77 18.934 11.435 3.154 1.00 0.51 C ATOM 1196 CD2 PHE A 77 18.077 13.700 3.032 1.00 0.48 C ATOM 1197 CE1 PHE A 77 18.669 11.409 4.529 1.00 0.60 C ATOM 1198 CE2 PHE A 77 17.813 13.674 4.407 1.00 0.57 C ATOM 1199 CZ PHE A 77 18.109 12.529 5.155 1.00 0.62 C ATOM 0 H PHE A 77 18.880 12.469 -1.562 1.00 0.28 H new ATOM 0 HA PHE A 77 17.980 10.716 0.517 1.00 0.30 H new ATOM 0 HB2 PHE A 77 19.928 12.235 0.728 1.00 0.34 H new ATOM 0 HB3 PHE A 77 18.887 13.634 0.555 1.00 0.34 H new ATOM 0 HD1 PHE A 77 19.367 10.572 2.671 1.00 0.51 H new ATOM 0 HD2 PHE A 77 17.849 14.584 2.455 1.00 0.48 H new ATOM 0 HE1 PHE A 77 18.897 10.525 5.106 1.00 0.60 H new ATOM 0 HE2 PHE A 77 17.381 14.538 4.890 1.00 0.57 H new ATOM 0 HZ PHE A 77 17.905 12.509 6.215 1.00 0.62 H new ATOM 1209 N HIS A 78 16.105 13.370 -0.090 1.00 0.17 N ATOM 1210 CA HIS A 78 14.746 13.922 0.172 1.00 0.16 C ATOM 1211 C HIS A 78 13.709 13.117 -0.614 1.00 0.11 C ATOM 1212 O HIS A 78 12.756 12.604 -0.059 1.00 0.14 O ATOM 1213 CB HIS A 78 14.697 15.387 -0.269 1.00 0.21 C ATOM 1214 CG HIS A 78 13.685 16.126 0.562 1.00 0.31 C ATOM 1215 ND1 HIS A 78 13.695 17.507 0.683 1.00 0.53 N ATOM 1216 CD2 HIS A 78 12.624 15.692 1.317 1.00 0.35 C ATOM 1217 CE1 HIS A 78 12.671 17.852 1.484 1.00 0.69 C ATOM 1218 NE2 HIS A 78 11.985 16.783 1.900 1.00 0.59 N ATOM 0 H HIS A 78 16.677 13.911 -0.739 1.00 0.17 H new ATOM 0 HA HIS A 78 14.526 13.856 1.237 1.00 0.16 H new ATOM 0 HB2 HIS A 78 15.680 15.845 -0.157 1.00 0.21 H new ATOM 0 HB3 HIS A 78 14.434 15.452 -1.325 1.00 0.21 H new ATOM 0 HD2 HIS A 78 12.329 14.660 1.440 1.00 0.35 H new ATOM 0 HE1 HIS A 78 12.432 18.869 1.758 1.00 0.69 H new ATOM 0 HE2 HIS A 78 11.169 16.769 2.512 1.00 0.59 H new ATOM 1226 N ARG A 79 13.884 13.002 -1.902 1.00 0.11 N ATOM 1227 CA ARG A 79 12.908 12.230 -2.721 1.00 0.07 C ATOM 1228 C ARG A 79 12.623 10.889 -2.043 1.00 0.05 C ATOM 1229 O ARG A 79 11.577 10.299 -2.226 1.00 0.08 O ATOM 1230 CB ARG A 79 13.492 11.985 -4.114 1.00 0.05 C ATOM 1231 CG ARG A 79 12.370 12.036 -5.154 1.00 0.15 C ATOM 1232 CD ARG A 79 12.903 11.525 -6.497 1.00 0.20 C ATOM 1233 NE ARG A 79 12.525 12.466 -7.602 1.00 0.42 N ATOM 1234 CZ ARG A 79 11.305 12.924 -7.719 1.00 1.92 C ATOM 1235 NH1 ARG A 79 10.365 12.511 -6.914 1.00 3.57 N ATOM 1236 NH2 ARG A 79 11.023 13.782 -8.660 1.00 2.12 N ATOM 0 H ARG A 79 14.661 13.409 -2.422 1.00 0.11 H new ATOM 0 HA ARG A 79 11.981 12.796 -2.811 1.00 0.07 H new ATOM 0 HB2 ARG A 79 14.247 12.738 -4.341 1.00 0.05 H new ATOM 0 HB3 ARG A 79 13.989 11.015 -4.146 1.00 0.05 H new ATOM 0 HG2 ARG A 79 11.528 11.426 -4.828 1.00 0.15 H new ATOM 0 HG3 ARG A 79 12.002 13.057 -5.260 1.00 0.15 H new ATOM 0 HD2 ARG A 79 13.987 11.425 -6.451 1.00 0.20 H new ATOM 0 HD3 ARG A 79 12.500 10.533 -6.702 1.00 0.20 H new ATOM 0 HE ARG A 79 13.234 12.755 -8.276 1.00 0.42 H new ATOM 0 HH11 ARG A 79 10.579 11.827 -6.188 1.00 3.57 H new ATOM 0 HH12 ARG A 79 9.416 12.872 -7.010 1.00 3.57 H new ATOM 0 HH21 ARG A 79 11.752 14.094 -9.301 1.00 2.12 H new ATOM 0 HH22 ARG A 79 10.073 14.141 -8.755 1.00 2.12 H new ATOM 1250 N HIS A 80 13.546 10.402 -1.260 1.00 0.09 N ATOM 1251 CA HIS A 80 13.328 9.099 -0.571 1.00 0.11 C ATOM 1252 C HIS A 80 12.445 9.316 0.660 1.00 0.09 C ATOM 1253 O HIS A 80 11.406 8.704 0.805 1.00 0.06 O ATOM 1254 CB HIS A 80 14.676 8.520 -0.136 1.00 0.17 C ATOM 1255 CG HIS A 80 14.450 7.415 0.859 1.00 0.25 C ATOM 1256 ND1 HIS A 80 14.391 6.082 0.483 1.00 0.44 N ATOM 1257 CD2 HIS A 80 14.268 7.429 2.220 1.00 0.34 C ATOM 1258 CE1 HIS A 80 14.182 5.356 1.597 1.00 0.45 C ATOM 1259 NE2 HIS A 80 14.099 6.127 2.684 1.00 0.37 N ATOM 0 H HIS A 80 14.442 10.850 -1.068 1.00 0.09 H new ATOM 0 HA HIS A 80 12.838 8.404 -1.253 1.00 0.11 H new ATOM 0 HB2 HIS A 80 15.217 8.139 -1.002 1.00 0.17 H new ATOM 0 HB3 HIS A 80 15.294 9.302 0.307 1.00 0.17 H new ATOM 0 HD1 HIS A 80 14.488 5.718 -0.465 1.00 0.44 H new ATOM 0 HD2 HIS A 80 14.258 8.315 2.837 1.00 0.34 H new ATOM 0 HE1 HIS A 80 14.092 4.280 1.610 1.00 0.45 H new ATOM 1267 N LYS A 81 12.851 10.183 1.547 1.00 0.14 N ATOM 1268 CA LYS A 81 12.034 10.437 2.768 1.00 0.13 C ATOM 1269 C LYS A 81 10.576 10.667 2.366 1.00 0.12 C ATOM 1270 O LYS A 81 9.663 10.151 2.980 1.00 0.13 O ATOM 1271 CB LYS A 81 12.567 11.678 3.489 1.00 0.15 C ATOM 1272 CG LYS A 81 13.891 11.340 4.175 1.00 0.21 C ATOM 1273 CD LYS A 81 14.360 12.541 5.000 1.00 1.04 C ATOM 1274 CE LYS A 81 14.355 12.174 6.485 1.00 1.11 C ATOM 1275 NZ LYS A 81 15.211 10.974 6.702 1.00 0.64 N ATOM 0 H LYS A 81 13.712 10.726 1.479 1.00 0.14 H new ATOM 0 HA LYS A 81 12.096 9.576 3.433 1.00 0.13 H new ATOM 0 HB2 LYS A 81 12.711 12.491 2.778 1.00 0.15 H new ATOM 0 HB3 LYS A 81 11.841 12.024 4.225 1.00 0.15 H new ATOM 0 HG2 LYS A 81 13.767 10.469 4.819 1.00 0.21 H new ATOM 0 HG3 LYS A 81 14.643 11.081 3.430 1.00 0.21 H new ATOM 0 HD2 LYS A 81 15.362 12.838 4.691 1.00 1.04 H new ATOM 0 HD3 LYS A 81 13.706 13.395 4.823 1.00 1.04 H new ATOM 0 HE2 LYS A 81 14.725 13.010 7.079 1.00 1.11 H new ATOM 0 HE3 LYS A 81 13.337 11.973 6.818 1.00 1.11 H new ATOM 0 HZ1 LYS A 81 15.716 11.067 7.606 1.00 0.64 H new ATOM 0 HZ2 LYS A 81 14.615 10.122 6.724 1.00 0.64 H new ATOM 0 HZ3 LYS A 81 15.900 10.894 5.927 1.00 0.64 H new ATOM 1289 N GLN A 82 10.349 11.440 1.339 1.00 0.13 N ATOM 1290 CA GLN A 82 8.950 11.702 0.899 1.00 0.14 C ATOM 1291 C GLN A 82 8.247 10.372 0.617 1.00 0.15 C ATOM 1292 O GLN A 82 7.132 10.144 1.045 1.00 0.21 O ATOM 1293 CB GLN A 82 8.965 12.551 -0.373 1.00 0.14 C ATOM 1294 CG GLN A 82 8.311 13.905 -0.093 1.00 0.73 C ATOM 1295 CD GLN A 82 8.260 14.724 -1.384 1.00 0.51 C ATOM 1296 OE1 GLN A 82 8.758 15.831 -1.436 1.00 1.38 O ATOM 1297 NE2 GLN A 82 7.673 14.224 -2.437 1.00 1.13 N ATOM 0 H GLN A 82 11.072 11.901 0.786 1.00 0.13 H new ATOM 0 HA GLN A 82 8.416 12.236 1.685 1.00 0.14 H new ATOM 0 HB2 GLN A 82 9.990 12.694 -0.715 1.00 0.14 H new ATOM 0 HB3 GLN A 82 8.432 12.036 -1.172 1.00 0.14 H new ATOM 0 HG2 GLN A 82 7.304 13.760 0.298 1.00 0.73 H new ATOM 0 HG3 GLN A 82 8.875 14.443 0.669 1.00 0.73 H new ATOM 0 HE21 GLN A 82 7.255 13.295 -2.395 1.00 1.13 H new ATOM 0 HE22 GLN A 82 7.633 14.762 -3.302 1.00 1.13 H new ATOM 1306 N LEU A 83 8.890 9.492 -0.102 1.00 0.12 N ATOM 1307 CA LEU A 83 8.258 8.179 -0.412 1.00 0.13 C ATOM 1308 C LEU A 83 7.864 7.484 0.894 1.00 0.18 C ATOM 1309 O LEU A 83 6.710 7.182 1.124 1.00 0.18 O ATOM 1310 CB LEU A 83 9.255 7.304 -1.177 1.00 0.12 C ATOM 1311 CG LEU A 83 8.499 6.279 -2.025 1.00 0.13 C ATOM 1312 CD1 LEU A 83 9.499 5.424 -2.806 1.00 0.13 C ATOM 1313 CD2 LEU A 83 7.663 5.378 -1.114 1.00 0.17 C ATOM 0 H LEU A 83 9.825 9.626 -0.488 1.00 0.12 H new ATOM 0 HA LEU A 83 7.369 8.336 -1.023 1.00 0.13 H new ATOM 0 HB2 LEU A 83 9.883 7.925 -1.815 1.00 0.12 H new ATOM 0 HB3 LEU A 83 9.917 6.794 -0.477 1.00 0.12 H new ATOM 0 HG LEU A 83 7.843 6.800 -2.722 1.00 0.13 H new ATOM 0 HD11 LEU A 83 8.960 4.694 -3.410 1.00 0.13 H new ATOM 0 HD12 LEU A 83 10.095 6.064 -3.457 1.00 0.13 H new ATOM 0 HD13 LEU A 83 10.156 4.904 -2.109 1.00 0.13 H new ATOM 0 HD21 LEU A 83 7.125 4.648 -1.719 1.00 0.17 H new ATOM 0 HD22 LEU A 83 8.319 4.858 -0.416 1.00 0.17 H new ATOM 0 HD23 LEU A 83 6.949 5.985 -0.558 1.00 0.17 H new ATOM 1325 N ILE A 84 8.815 7.229 1.750 1.00 0.21 N ATOM 1326 CA ILE A 84 8.495 6.554 3.040 1.00 0.25 C ATOM 1327 C ILE A 84 7.287 7.235 3.687 1.00 0.27 C ATOM 1328 O ILE A 84 6.435 6.590 4.265 1.00 0.31 O ATOM 1329 CB ILE A 84 9.700 6.652 3.980 1.00 0.26 C ATOM 1330 CG1 ILE A 84 10.979 6.306 3.213 1.00 0.24 C ATOM 1331 CG2 ILE A 84 9.523 5.674 5.144 1.00 0.31 C ATOM 1332 CD1 ILE A 84 10.779 5.003 2.436 1.00 0.26 C ATOM 0 H ILE A 84 9.799 7.459 1.612 1.00 0.21 H new ATOM 0 HA ILE A 84 8.264 5.505 2.853 1.00 0.25 H new ATOM 0 HB ILE A 84 9.773 7.668 4.368 1.00 0.26 H new ATOM 0 HG12 ILE A 84 11.233 7.114 2.527 1.00 0.24 H new ATOM 0 HG13 ILE A 84 11.814 6.203 3.907 1.00 0.24 H new ATOM 0 HG21 ILE A 84 10.381 5.745 5.812 1.00 0.31 H new ATOM 0 HG22 ILE A 84 8.614 5.922 5.693 1.00 0.31 H new ATOM 0 HG23 ILE A 84 9.447 4.658 4.757 1.00 0.31 H new ATOM 0 HD11 ILE A 84 11.692 4.760 1.892 1.00 0.26 H new ATOM 0 HD12 ILE A 84 10.546 4.197 3.132 1.00 0.26 H new ATOM 0 HD13 ILE A 84 9.957 5.123 1.731 1.00 0.26 H new ATOM 1344 N ARG A 85 7.207 8.534 3.598 1.00 0.25 N ATOM 1345 CA ARG A 85 6.054 9.253 4.210 1.00 0.28 C ATOM 1346 C ARG A 85 4.764 8.858 3.490 1.00 0.23 C ATOM 1347 O ARG A 85 3.751 8.598 4.109 1.00 0.22 O ATOM 1348 CB ARG A 85 6.268 10.764 4.083 1.00 0.29 C ATOM 1349 CG ARG A 85 5.853 11.449 5.387 1.00 0.53 C ATOM 1350 CD ARG A 85 5.674 12.949 5.141 1.00 0.96 C ATOM 1351 NE ARG A 85 6.512 13.367 3.982 1.00 2.21 N ATOM 1352 CZ ARG A 85 6.301 14.518 3.407 1.00 3.33 C ATOM 1353 NH1 ARG A 85 5.357 15.304 3.846 1.00 3.31 N ATOM 1354 NH2 ARG A 85 7.035 14.884 2.391 1.00 4.88 N ATOM 0 H ARG A 85 7.890 9.129 3.128 1.00 0.25 H new ATOM 0 HA ARG A 85 5.978 8.984 5.264 1.00 0.28 H new ATOM 0 HB2 ARG A 85 7.315 10.977 3.865 1.00 0.29 H new ATOM 0 HB3 ARG A 85 5.683 11.156 3.251 1.00 0.29 H new ATOM 0 HG2 ARG A 85 4.923 11.017 5.757 1.00 0.53 H new ATOM 0 HG3 ARG A 85 6.609 11.283 6.154 1.00 0.53 H new ATOM 0 HD2 ARG A 85 4.626 13.173 4.945 1.00 0.96 H new ATOM 0 HD3 ARG A 85 5.959 13.511 6.031 1.00 0.96 H new ATOM 0 HE ARG A 85 7.250 12.753 3.639 1.00 2.21 H new ATOM 0 HH11 ARG A 85 4.783 15.018 4.640 1.00 3.31 H new ATOM 0 HH12 ARG A 85 5.192 16.204 3.396 1.00 3.31 H new ATOM 0 HH21 ARG A 85 7.773 14.270 2.047 1.00 4.88 H new ATOM 0 HH22 ARG A 85 6.870 15.784 1.941 1.00 4.88 H new ATOM 1368 N PHE A 86 4.791 8.811 2.186 1.00 0.23 N ATOM 1369 CA PHE A 86 3.564 8.433 1.429 1.00 0.23 C ATOM 1370 C PHE A 86 3.034 7.096 1.951 1.00 0.14 C ATOM 1371 O PHE A 86 1.868 6.960 2.267 1.00 0.17 O ATOM 1372 CB PHE A 86 3.902 8.302 -0.057 1.00 0.30 C ATOM 1373 CG PHE A 86 3.590 9.602 -0.761 1.00 0.35 C ATOM 1374 CD1 PHE A 86 2.271 9.903 -1.122 1.00 0.46 C ATOM 1375 CD2 PHE A 86 4.619 10.504 -1.053 1.00 0.31 C ATOM 1376 CE1 PHE A 86 1.982 11.107 -1.773 1.00 0.52 C ATOM 1377 CE2 PHE A 86 4.330 11.708 -1.705 1.00 0.37 C ATOM 1378 CZ PHE A 86 3.011 12.011 -2.065 1.00 0.48 C ATOM 0 H PHE A 86 5.609 9.018 1.613 1.00 0.23 H new ATOM 0 HA PHE A 86 2.803 9.202 1.562 1.00 0.23 H new ATOM 0 HB2 PHE A 86 4.956 8.053 -0.181 1.00 0.30 H new ATOM 0 HB3 PHE A 86 3.328 7.489 -0.501 1.00 0.30 H new ATOM 0 HD1 PHE A 86 1.477 9.206 -0.898 1.00 0.46 H new ATOM 0 HD2 PHE A 86 5.636 10.271 -0.775 1.00 0.31 H new ATOM 0 HE1 PHE A 86 0.965 11.340 -2.051 1.00 0.52 H new ATOM 0 HE2 PHE A 86 5.125 12.404 -1.931 1.00 0.37 H new ATOM 0 HZ PHE A 86 2.788 12.941 -2.567 1.00 0.48 H new ATOM 1388 N LEU A 87 3.880 6.107 2.047 1.00 0.14 N ATOM 1389 CA LEU A 87 3.423 4.782 2.549 1.00 0.17 C ATOM 1390 C LEU A 87 2.973 4.914 4.005 1.00 0.12 C ATOM 1391 O LEU A 87 1.850 4.603 4.348 1.00 0.30 O ATOM 1392 CB LEU A 87 4.575 3.778 2.461 1.00 0.30 C ATOM 1393 CG LEU A 87 5.142 3.771 1.040 1.00 0.10 C ATOM 1394 CD1 LEU A 87 6.299 2.774 0.955 1.00 0.26 C ATOM 1395 CD2 LEU A 87 4.044 3.364 0.054 1.00 0.42 C ATOM 0 H LEU A 87 4.868 6.160 1.799 1.00 0.14 H new ATOM 0 HA LEU A 87 2.588 4.433 1.941 1.00 0.17 H new ATOM 0 HB2 LEU A 87 5.356 4.042 3.174 1.00 0.30 H new ATOM 0 HB3 LEU A 87 4.223 2.781 2.728 1.00 0.30 H new ATOM 0 HG LEU A 87 5.504 4.768 0.790 1.00 0.10 H new ATOM 0 HD11 LEU A 87 6.702 2.770 -0.058 1.00 0.26 H new ATOM 0 HD12 LEU A 87 7.082 3.064 1.656 1.00 0.26 H new ATOM 0 HD13 LEU A 87 5.939 1.776 1.206 1.00 0.26 H new ATOM 0 HD21 LEU A 87 4.448 3.359 -0.958 1.00 0.42 H new ATOM 0 HD22 LEU A 87 3.681 2.367 0.305 1.00 0.42 H new ATOM 0 HD23 LEU A 87 3.220 4.076 0.113 1.00 0.42 H new ATOM 1407 N LYS A 88 3.839 5.376 4.864 1.00 0.24 N ATOM 1408 CA LYS A 88 3.460 5.529 6.296 1.00 0.21 C ATOM 1409 C LYS A 88 2.116 6.254 6.393 1.00 0.16 C ATOM 1410 O LYS A 88 1.458 6.229 7.415 1.00 0.15 O ATOM 1411 CB LYS A 88 4.532 6.342 7.025 1.00 0.28 C ATOM 1412 CG LYS A 88 4.964 5.600 8.291 1.00 0.57 C ATOM 1413 CD LYS A 88 5.853 6.512 9.139 1.00 0.51 C ATOM 1414 CE LYS A 88 7.075 6.936 8.325 1.00 1.43 C ATOM 1415 NZ LYS A 88 6.758 8.176 7.562 1.00 3.04 N ATOM 0 H LYS A 88 4.793 5.654 4.636 1.00 0.24 H new ATOM 0 HA LYS A 88 3.376 4.544 6.756 1.00 0.21 H new ATOM 0 HB2 LYS A 88 5.391 6.499 6.372 1.00 0.28 H new ATOM 0 HB3 LYS A 88 4.143 7.327 7.283 1.00 0.28 H new ATOM 0 HG2 LYS A 88 4.088 5.294 8.863 1.00 0.57 H new ATOM 0 HG3 LYS A 88 5.505 4.691 8.026 1.00 0.57 H new ATOM 0 HD2 LYS A 88 5.292 7.391 9.457 1.00 0.51 H new ATOM 0 HD3 LYS A 88 6.168 5.991 10.043 1.00 0.51 H new ATOM 0 HE2 LYS A 88 7.923 7.110 8.987 1.00 1.43 H new ATOM 0 HE3 LYS A 88 7.364 6.139 7.640 1.00 1.43 H new ATOM 0 HZ1 LYS A 88 6.833 7.985 6.542 1.00 3.04 H new ATOM 0 HZ2 LYS A 88 5.790 8.484 7.787 1.00 3.04 H new ATOM 0 HZ3 LYS A 88 7.430 8.926 7.824 1.00 3.04 H new ATOM 1429 N ARG A 89 1.702 6.899 5.338 1.00 0.17 N ATOM 1430 CA ARG A 89 0.401 7.624 5.371 1.00 0.16 C ATOM 1431 C ARG A 89 -0.727 6.667 4.983 1.00 0.09 C ATOM 1432 O ARG A 89 -1.486 6.216 5.819 1.00 0.12 O ATOM 1433 CB ARG A 89 0.442 8.791 4.380 1.00 0.22 C ATOM 1434 CG ARG A 89 -0.731 9.734 4.652 1.00 0.27 C ATOM 1435 CD ARG A 89 -0.941 10.651 3.447 1.00 0.62 C ATOM 1436 NE ARG A 89 0.358 11.275 3.066 1.00 2.08 N ATOM 1437 CZ ARG A 89 0.488 11.853 1.903 1.00 2.85 C ATOM 1438 NH1 ARG A 89 -0.519 11.885 1.073 1.00 2.75 N ATOM 1439 NH2 ARG A 89 1.625 12.399 1.569 1.00 4.18 N ATOM 0 H ARG A 89 2.208 6.955 4.454 1.00 0.17 H new ATOM 0 HA ARG A 89 0.224 8.006 6.376 1.00 0.16 H new ATOM 0 HB2 ARG A 89 1.385 9.330 4.475 1.00 0.22 H new ATOM 0 HB3 ARG A 89 0.391 8.416 3.358 1.00 0.22 H new ATOM 0 HG2 ARG A 89 -1.636 9.158 4.846 1.00 0.27 H new ATOM 0 HG3 ARG A 89 -0.534 10.328 5.544 1.00 0.27 H new ATOM 0 HD2 ARG A 89 -1.343 10.082 2.609 1.00 0.62 H new ATOM 0 HD3 ARG A 89 -1.671 11.424 3.687 1.00 0.62 H new ATOM 0 HE ARG A 89 1.145 11.250 3.714 1.00 2.08 H new ATOM 0 HH11 ARG A 89 -1.408 11.458 1.333 1.00 2.75 H new ATOM 0 HH12 ARG A 89 -0.417 12.337 0.164 1.00 2.75 H new ATOM 0 HH21 ARG A 89 2.412 12.374 2.217 1.00 4.18 H new ATOM 0 HH22 ARG A 89 1.726 12.851 0.660 1.00 4.18 H new ATOM 1453 N LEU A 90 -0.844 6.350 3.722 1.00 0.07 N ATOM 1454 CA LEU A 90 -1.925 5.421 3.285 1.00 0.13 C ATOM 1455 C LEU A 90 -1.835 4.123 4.088 1.00 0.13 C ATOM 1456 O LEU A 90 -2.781 3.364 4.169 1.00 0.16 O ATOM 1457 CB LEU A 90 -1.761 5.113 1.796 1.00 0.20 C ATOM 1458 CG LEU A 90 -0.424 4.409 1.563 1.00 0.18 C ATOM 1459 CD1 LEU A 90 -0.665 2.918 1.323 1.00 0.35 C ATOM 1460 CD2 LEU A 90 0.263 5.015 0.336 1.00 0.14 C ATOM 0 H LEU A 90 -0.239 6.694 2.976 1.00 0.07 H new ATOM 0 HA LEU A 90 -2.896 5.886 3.454 1.00 0.13 H new ATOM 0 HB2 LEU A 90 -2.581 4.482 1.452 1.00 0.20 H new ATOM 0 HB3 LEU A 90 -1.804 6.035 1.216 1.00 0.20 H new ATOM 0 HG LEU A 90 0.211 4.538 2.440 1.00 0.18 H new ATOM 0 HD11 LEU A 90 0.289 2.417 1.157 1.00 0.35 H new ATOM 0 HD12 LEU A 90 -1.156 2.484 2.194 1.00 0.35 H new ATOM 0 HD13 LEU A 90 -1.300 2.789 0.447 1.00 0.35 H new ATOM 0 HD21 LEU A 90 1.217 4.514 0.168 1.00 0.14 H new ATOM 0 HD22 LEU A 90 -0.374 4.885 -0.539 1.00 0.14 H new ATOM 0 HD23 LEU A 90 0.436 6.078 0.504 1.00 0.14 H new ATOM 1472 N ASP A 91 -0.703 3.859 4.684 1.00 0.11 N ATOM 1473 CA ASP A 91 -0.556 2.609 5.482 1.00 0.12 C ATOM 1474 C ASP A 91 -1.541 2.631 6.650 1.00 0.11 C ATOM 1475 O ASP A 91 -2.167 1.638 6.966 1.00 0.20 O ATOM 1476 CB ASP A 91 0.873 2.515 6.021 1.00 0.11 C ATOM 1477 CG ASP A 91 0.988 1.310 6.957 1.00 0.25 C ATOM 1478 OD1 ASP A 91 0.315 1.309 7.974 1.00 0.85 O ATOM 1479 OD2 ASP A 91 1.747 0.409 6.639 1.00 1.23 O ATOM 0 H ASP A 91 0.125 4.454 4.652 1.00 0.11 H new ATOM 0 HA ASP A 91 -0.764 1.746 4.849 1.00 0.12 H new ATOM 0 HB2 ASP A 91 1.578 2.416 5.196 1.00 0.11 H new ATOM 0 HB3 ASP A 91 1.132 3.429 6.555 1.00 0.11 H new ATOM 1484 N ARG A 92 -1.686 3.756 7.296 1.00 0.05 N ATOM 1485 CA ARG A 92 -2.633 3.839 8.443 1.00 0.05 C ATOM 1486 C ARG A 92 -4.054 4.049 7.917 1.00 0.12 C ATOM 1487 O ARG A 92 -5.019 3.623 8.520 1.00 0.16 O ATOM 1488 CB ARG A 92 -2.243 5.015 9.342 1.00 0.13 C ATOM 1489 CG ARG A 92 -0.753 4.929 9.678 1.00 0.34 C ATOM 1490 CD ARG A 92 -0.466 3.610 10.398 1.00 1.16 C ATOM 1491 NE ARG A 92 0.746 3.763 11.250 1.00 1.71 N ATOM 1492 CZ ARG A 92 1.010 2.881 12.175 1.00 2.33 C ATOM 1493 NH1 ARG A 92 0.211 1.864 12.353 1.00 2.59 N ATOM 1494 NH2 ARG A 92 2.072 3.015 12.922 1.00 2.95 N ATOM 0 H ARG A 92 -1.190 4.620 7.079 1.00 0.05 H new ATOM 0 HA ARG A 92 -2.591 2.913 9.017 1.00 0.05 H new ATOM 0 HB2 ARG A 92 -2.459 5.958 8.840 1.00 0.13 H new ATOM 0 HB3 ARG A 92 -2.835 4.998 10.257 1.00 0.13 H new ATOM 0 HG2 ARG A 92 -0.160 4.994 8.766 1.00 0.34 H new ATOM 0 HG3 ARG A 92 -0.463 5.770 10.308 1.00 0.34 H new ATOM 0 HD2 ARG A 92 -1.321 3.324 11.011 1.00 1.16 H new ATOM 0 HD3 ARG A 92 -0.314 2.812 9.671 1.00 1.16 H new ATOM 0 HE ARG A 92 1.370 4.558 11.110 1.00 1.71 H new ATOM 0 HH11 ARG A 92 -0.619 1.759 11.769 1.00 2.59 H new ATOM 0 HH12 ARG A 92 0.417 1.174 13.076 1.00 2.59 H new ATOM 0 HH21 ARG A 92 2.696 3.810 12.783 1.00 2.95 H new ATOM 0 HH22 ARG A 92 2.278 2.325 13.645 1.00 2.95 H new ATOM 1508 N ASN A 93 -4.190 4.703 6.797 1.00 0.16 N ATOM 1509 CA ASN A 93 -5.548 4.939 6.233 1.00 0.26 C ATOM 1510 C ASN A 93 -6.224 3.595 5.951 1.00 0.29 C ATOM 1511 O ASN A 93 -7.370 3.382 6.291 1.00 0.36 O ATOM 1512 CB ASN A 93 -5.428 5.732 4.930 1.00 0.33 C ATOM 1513 CG ASN A 93 -4.548 6.962 5.159 1.00 0.36 C ATOM 1514 OD1 ASN A 93 -4.008 7.145 6.232 1.00 1.40 O ATOM 1515 ND2 ASN A 93 -4.379 7.819 4.190 1.00 1.27 N ATOM 0 H ASN A 93 -3.419 5.084 6.248 1.00 0.16 H new ATOM 0 HA ASN A 93 -6.146 5.503 6.949 1.00 0.26 H new ATOM 0 HB2 ASN A 93 -4.998 5.105 4.149 1.00 0.33 H new ATOM 0 HB3 ASN A 93 -6.416 6.038 4.586 1.00 0.33 H new ATOM 0 HD21 ASN A 93 -3.794 8.642 4.333 1.00 1.27 H new ATOM 0 HD22 ASN A 93 -4.832 7.666 3.289 1.00 1.27 H new ATOM 1522 N LEU A 94 -5.522 2.686 5.331 1.00 0.27 N ATOM 1523 CA LEU A 94 -6.125 1.357 5.029 1.00 0.33 C ATOM 1524 C LEU A 94 -6.436 0.634 6.340 1.00 0.29 C ATOM 1525 O LEU A 94 -7.581 0.450 6.703 1.00 0.45 O ATOM 1526 CB LEU A 94 -5.138 0.518 4.208 1.00 0.37 C ATOM 1527 CG LEU A 94 -4.753 1.263 2.922 1.00 0.40 C ATOM 1528 CD1 LEU A 94 -3.439 0.695 2.384 1.00 0.49 C ATOM 1529 CD2 LEU A 94 -5.846 1.086 1.861 1.00 0.32 C ATOM 0 H LEU A 94 -4.558 2.806 5.021 1.00 0.27 H new ATOM 0 HA LEU A 94 -7.043 1.496 4.459 1.00 0.33 H new ATOM 0 HB2 LEU A 94 -4.246 0.311 4.799 1.00 0.37 H new ATOM 0 HB3 LEU A 94 -5.586 -0.444 3.960 1.00 0.37 H new ATOM 0 HG LEU A 94 -4.639 2.323 3.147 1.00 0.40 H new ATOM 0 HD11 LEU A 94 -3.162 1.221 1.471 1.00 0.49 H new ATOM 0 HD12 LEU A 94 -2.654 0.824 3.130 1.00 0.49 H new ATOM 0 HD13 LEU A 94 -3.563 -0.366 2.168 1.00 0.49 H new ATOM 0 HD21 LEU A 94 -5.562 1.619 0.954 1.00 0.32 H new ATOM 0 HD22 LEU A 94 -5.967 0.026 1.637 1.00 0.32 H new ATOM 0 HD23 LEU A 94 -6.787 1.487 2.238 1.00 0.32 H new ATOM 1541 N TRP A 95 -5.426 0.220 7.056 1.00 0.22 N ATOM 1542 CA TRP A 95 -5.666 -0.491 8.343 1.00 0.25 C ATOM 1543 C TRP A 95 -6.677 0.296 9.179 1.00 0.20 C ATOM 1544 O TRP A 95 -7.224 -0.206 10.142 1.00 0.30 O ATOM 1545 CB TRP A 95 -4.349 -0.608 9.114 1.00 0.29 C ATOM 1546 CG TRP A 95 -4.615 -1.180 10.469 1.00 0.31 C ATOM 1547 CD1 TRP A 95 -5.003 -0.467 11.551 1.00 0.37 C ATOM 1548 CD2 TRP A 95 -4.521 -2.567 10.906 1.00 0.30 C ATOM 1549 NE1 TRP A 95 -5.153 -1.327 12.624 1.00 0.37 N ATOM 1550 CE2 TRP A 95 -4.867 -2.632 12.276 1.00 0.33 C ATOM 1551 CE3 TRP A 95 -4.171 -3.763 10.253 1.00 0.30 C ATOM 1552 CZ2 TRP A 95 -4.867 -3.840 12.974 1.00 0.34 C ATOM 1553 CZ3 TRP A 95 -4.171 -4.981 10.952 1.00 0.33 C ATOM 1554 CH2 TRP A 95 -4.517 -5.019 12.310 1.00 0.33 C ATOM 0 H TRP A 95 -4.445 0.344 6.805 1.00 0.22 H new ATOM 0 HA TRP A 95 -6.059 -1.487 8.140 1.00 0.25 H new ATOM 0 HB2 TRP A 95 -3.651 -1.244 8.569 1.00 0.29 H new ATOM 0 HB3 TRP A 95 -3.881 0.372 9.207 1.00 0.29 H new ATOM 0 HD1 TRP A 95 -5.169 0.600 11.573 1.00 0.37 H new ATOM 0 HE1 TRP A 95 -5.440 -1.033 13.558 1.00 0.37 H new ATOM 0 HE3 TRP A 95 -3.901 -3.744 9.208 1.00 0.30 H new ATOM 0 HZ2 TRP A 95 -5.136 -3.864 14.020 1.00 0.34 H new ATOM 0 HZ3 TRP A 95 -3.903 -5.894 10.440 1.00 0.33 H new ATOM 0 HH2 TRP A 95 -4.513 -5.959 12.843 1.00 0.33 H new ATOM 1565 N GLY A 96 -6.931 1.524 8.819 1.00 0.07 N ATOM 1566 CA GLY A 96 -7.907 2.340 9.594 1.00 0.03 C ATOM 1567 C GLY A 96 -9.328 1.858 9.297 1.00 0.05 C ATOM 1568 O GLY A 96 -9.993 1.294 10.143 1.00 0.09 O ATOM 0 H GLY A 96 -6.505 1.997 8.022 1.00 0.07 H new ATOM 0 HA2 GLY A 96 -7.700 2.257 10.661 1.00 0.03 H new ATOM 0 HA3 GLY A 96 -7.807 3.393 9.330 1.00 0.03 H new ATOM 1572 N LEU A 97 -9.801 2.078 8.099 1.00 0.18 N ATOM 1573 CA LEU A 97 -11.179 1.632 7.751 1.00 0.26 C ATOM 1574 C LEU A 97 -11.286 0.116 7.919 1.00 0.30 C ATOM 1575 O LEU A 97 -12.331 -0.469 7.717 1.00 0.37 O ATOM 1576 CB LEU A 97 -11.501 2.020 6.299 1.00 0.36 C ATOM 1577 CG LEU A 97 -10.367 1.581 5.356 1.00 0.42 C ATOM 1578 CD1 LEU A 97 -10.334 0.053 5.212 1.00 0.42 C ATOM 1579 CD2 LEU A 97 -10.592 2.208 3.978 1.00 0.52 C ATOM 0 H LEU A 97 -9.293 2.546 7.349 1.00 0.18 H new ATOM 0 HA LEU A 97 -11.893 2.118 8.416 1.00 0.26 H new ATOM 0 HB2 LEU A 97 -12.437 1.554 5.992 1.00 0.36 H new ATOM 0 HB3 LEU A 97 -11.643 3.098 6.228 1.00 0.36 H new ATOM 0 HG LEU A 97 -9.417 1.912 5.776 1.00 0.42 H new ATOM 0 HD11 LEU A 97 -9.524 -0.232 4.541 1.00 0.42 H new ATOM 0 HD12 LEU A 97 -10.172 -0.401 6.190 1.00 0.42 H new ATOM 0 HD13 LEU A 97 -11.283 -0.295 4.804 1.00 0.42 H new ATOM 0 HD21 LEU A 97 -9.792 1.902 3.304 1.00 0.52 H new ATOM 0 HD22 LEU A 97 -11.550 1.875 3.579 1.00 0.52 H new ATOM 0 HD23 LEU A 97 -10.594 3.294 4.068 1.00 0.52 H new ATOM 1591 N ALA A 98 -10.211 -0.526 8.288 1.00 0.27 N ATOM 1592 CA ALA A 98 -10.252 -2.004 8.468 1.00 0.35 C ATOM 1593 C ALA A 98 -10.785 -2.333 9.864 1.00 0.34 C ATOM 1594 O ALA A 98 -11.899 -2.791 10.021 1.00 0.44 O ATOM 1595 CB ALA A 98 -8.841 -2.576 8.312 1.00 0.36 C ATOM 0 H ALA A 98 -9.307 -0.091 8.472 1.00 0.27 H new ATOM 0 HA ALA A 98 -10.907 -2.444 7.716 1.00 0.35 H new ATOM 0 HB1 ALA A 98 -8.870 -3.658 8.444 1.00 0.36 H new ATOM 0 HB2 ALA A 98 -8.461 -2.342 7.318 1.00 0.36 H new ATOM 0 HB3 ALA A 98 -8.185 -2.137 9.064 1.00 0.36 H new ATOM 1601 N GLY A 99 -9.997 -2.104 10.879 1.00 0.29 N ATOM 1602 CA GLY A 99 -10.458 -2.404 12.264 1.00 0.32 C ATOM 1603 C GLY A 99 -10.328 -3.904 12.533 1.00 0.42 C ATOM 1604 O GLY A 99 -11.301 -4.632 12.534 1.00 1.16 O ATOM 0 H GLY A 99 -9.054 -1.722 10.809 1.00 0.29 H new ATOM 0 HA2 GLY A 99 -9.865 -1.842 12.985 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.494 -2.090 12.389 1.00 0.32 H new ATOM 1608 N LEU A 100 -9.132 -4.373 12.762 1.00 0.34 N ATOM 1609 CA LEU A 100 -8.937 -5.826 13.032 1.00 0.29 C ATOM 1610 C LEU A 100 -7.793 -6.009 14.031 1.00 0.28 C ATOM 1611 O LEU A 100 -6.662 -5.648 13.767 1.00 0.32 O ATOM 1612 CB LEU A 100 -8.593 -6.546 11.725 1.00 0.23 C ATOM 1613 CG LEU A 100 -9.852 -7.200 11.151 1.00 0.24 C ATOM 1614 CD1 LEU A 100 -9.649 -7.476 9.661 1.00 0.35 C ATOM 1615 CD2 LEU A 100 -10.121 -8.518 11.881 1.00 0.17 C ATOM 0 H LEU A 100 -8.280 -3.812 12.774 1.00 0.34 H new ATOM 0 HA LEU A 100 -9.853 -6.245 13.447 1.00 0.29 H new ATOM 0 HB2 LEU A 100 -8.179 -5.838 11.007 1.00 0.23 H new ATOM 0 HB3 LEU A 100 -7.828 -7.302 11.905 1.00 0.23 H new ATOM 0 HG LEU A 100 -10.702 -6.530 11.285 1.00 0.24 H new ATOM 0 HD11 LEU A 100 -10.545 -7.942 9.252 1.00 0.35 H new ATOM 0 HD12 LEU A 100 -9.457 -6.538 9.140 1.00 0.35 H new ATOM 0 HD13 LEU A 100 -8.799 -8.145 9.527 1.00 0.35 H new ATOM 0 HD21 LEU A 100 -11.018 -8.984 11.472 1.00 0.17 H new ATOM 0 HD22 LEU A 100 -9.271 -9.188 11.748 1.00 0.17 H new ATOM 0 HD23 LEU A 100 -10.266 -8.322 12.943 1.00 0.17 H new ATOM 1627 N ASN A 101 -8.076 -6.567 15.175 1.00 0.33 N ATOM 1628 CA ASN A 101 -7.004 -6.773 16.190 1.00 0.31 C ATOM 1629 C ASN A 101 -6.073 -7.897 15.728 1.00 0.23 C ATOM 1630 O ASN A 101 -4.969 -7.658 15.281 1.00 0.11 O ATOM 1631 CB ASN A 101 -7.635 -7.152 17.530 1.00 0.35 C ATOM 1632 CG ASN A 101 -6.560 -7.153 18.619 1.00 1.55 C ATOM 1633 OD1 ASN A 101 -6.239 -8.188 19.170 1.00 2.54 O ATOM 1634 ND2 ASN A 101 -5.986 -6.031 18.954 1.00 1.89 N ATOM 0 H ASN A 101 -9.003 -6.890 15.452 1.00 0.33 H new ATOM 0 HA ASN A 101 -6.432 -5.852 16.306 1.00 0.31 H new ATOM 0 HB2 ASN A 101 -8.425 -6.445 17.785 1.00 0.35 H new ATOM 0 HB3 ASN A 101 -8.098 -8.136 17.460 1.00 0.35 H new ATOM 0 HD21 ASN A 101 -5.268 -6.022 19.678 1.00 1.89 H new ATOM 0 HD22 ASN A 101 -6.255 -5.163 18.492 1.00 1.89 H new ATOM 1641 N SER A 102 -6.511 -9.121 15.832 1.00 0.29 N ATOM 1642 CA SER A 102 -5.651 -10.260 15.400 1.00 0.22 C ATOM 1643 C SER A 102 -5.732 -10.411 13.880 1.00 0.18 C ATOM 1644 O SER A 102 -6.798 -10.371 13.298 1.00 0.25 O ATOM 1645 CB SER A 102 -6.136 -11.547 16.067 1.00 0.23 C ATOM 1646 OG SER A 102 -7.288 -12.024 15.383 1.00 1.21 O ATOM 0 H SER A 102 -7.427 -9.382 16.197 1.00 0.29 H new ATOM 0 HA SER A 102 -4.619 -10.067 15.692 1.00 0.22 H new ATOM 0 HB2 SER A 102 -5.348 -12.300 16.046 1.00 0.23 H new ATOM 0 HB3 SER A 102 -6.372 -11.361 17.115 1.00 0.23 H new ATOM 0 HG SER A 102 -7.601 -12.850 15.807 1.00 1.21 H new ATOM 1652 N CYS A 103 -4.613 -10.584 13.231 1.00 0.14 N ATOM 1653 CA CYS A 103 -4.626 -10.738 11.749 1.00 0.15 C ATOM 1654 C CYS A 103 -3.277 -11.293 11.275 1.00 0.14 C ATOM 1655 O CYS A 103 -2.524 -10.596 10.625 1.00 0.14 O ATOM 1656 CB CYS A 103 -4.861 -9.371 11.104 1.00 0.18 C ATOM 1657 SG CYS A 103 -4.919 -9.556 9.304 1.00 0.16 S ATOM 0 H CYS A 103 -3.690 -10.625 13.663 1.00 0.14 H new ATOM 0 HA CYS A 103 -5.422 -11.426 11.463 1.00 0.15 H new ATOM 0 HB2 CYS A 103 -5.795 -8.941 11.467 1.00 0.18 H new ATOM 0 HB3 CYS A 103 -4.064 -8.683 11.384 1.00 0.18 H new ATOM 1662 N PRO A 104 -3.002 -12.532 11.616 1.00 0.17 N ATOM 1663 CA PRO A 104 -1.736 -13.180 11.227 1.00 0.24 C ATOM 1664 C PRO A 104 -1.646 -13.292 9.702 1.00 0.30 C ATOM 1665 O PRO A 104 -2.645 -13.402 9.019 1.00 0.32 O ATOM 1666 CB PRO A 104 -1.792 -14.573 11.868 1.00 0.28 C ATOM 1667 CG PRO A 104 -3.139 -14.690 12.625 1.00 0.22 C ATOM 1668 CD PRO A 104 -3.913 -13.380 12.409 1.00 0.16 C ATOM 0 HA PRO A 104 -0.863 -12.615 11.555 1.00 0.24 H new ATOM 0 HB2 PRO A 104 -1.713 -15.348 11.106 1.00 0.28 H new ATOM 0 HB3 PRO A 104 -0.955 -14.713 12.552 1.00 0.28 H new ATOM 0 HG2 PRO A 104 -3.713 -15.539 12.254 1.00 0.22 H new ATOM 0 HG3 PRO A 104 -2.967 -14.861 13.688 1.00 0.22 H new ATOM 0 HD2 PRO A 104 -4.850 -13.556 11.881 1.00 0.16 H new ATOM 0 HD3 PRO A 104 -4.166 -12.909 13.359 1.00 0.16 H new ATOM 1676 N VAL A 105 -0.457 -13.265 9.166 1.00 0.35 N ATOM 1677 CA VAL A 105 -0.305 -13.369 7.686 1.00 0.42 C ATOM 1678 C VAL A 105 -0.193 -14.842 7.289 1.00 0.61 C ATOM 1679 O VAL A 105 0.310 -15.661 8.034 1.00 0.62 O ATOM 1680 CB VAL A 105 0.958 -12.626 7.250 1.00 0.39 C ATOM 1681 CG1 VAL A 105 2.178 -13.243 7.940 1.00 0.43 C ATOM 1682 CG2 VAL A 105 1.119 -12.742 5.733 1.00 0.42 C ATOM 0 H VAL A 105 0.415 -13.176 9.687 1.00 0.35 H new ATOM 0 HA VAL A 105 -1.173 -12.926 7.199 1.00 0.42 H new ATOM 0 HB VAL A 105 0.875 -11.575 7.529 1.00 0.39 H new ATOM 0 HG11 VAL A 105 3.078 -12.713 7.629 1.00 0.43 H new ATOM 0 HG12 VAL A 105 2.064 -13.162 9.021 1.00 0.43 H new ATOM 0 HG13 VAL A 105 2.261 -14.294 7.662 1.00 0.43 H new ATOM 0 HG21 VAL A 105 2.019 -12.213 5.421 1.00 0.42 H new ATOM 0 HG22 VAL A 105 1.201 -13.793 5.455 1.00 0.42 H new ATOM 0 HG23 VAL A 105 0.251 -12.303 5.240 1.00 0.42 H new ATOM 1692 N LYS A 106 -0.657 -15.187 6.119 1.00 0.78 N ATOM 1693 CA LYS A 106 -0.578 -16.607 5.674 1.00 0.98 C ATOM 1694 C LYS A 106 0.712 -16.820 4.878 1.00 0.84 C ATOM 1695 O LYS A 106 1.794 -16.850 5.428 1.00 0.96 O ATOM 1696 CB LYS A 106 -1.783 -16.933 4.791 1.00 1.10 C ATOM 1697 CG LYS A 106 -3.071 -16.744 5.593 1.00 2.52 C ATOM 1698 CD LYS A 106 -3.938 -17.999 5.473 1.00 2.40 C ATOM 1699 CE LYS A 106 -4.293 -18.237 4.005 1.00 2.93 C ATOM 1700 NZ LYS A 106 -5.769 -18.383 3.868 1.00 4.07 N ATOM 0 H LYS A 106 -1.087 -14.547 5.452 1.00 0.78 H new ATOM 0 HA LYS A 106 -0.580 -17.262 6.545 1.00 0.98 H new ATOM 0 HB2 LYS A 106 -1.790 -16.286 3.914 1.00 1.10 H new ATOM 0 HB3 LYS A 106 -1.715 -17.959 4.429 1.00 1.10 H new ATOM 0 HG2 LYS A 106 -2.835 -16.551 6.640 1.00 2.52 H new ATOM 0 HG3 LYS A 106 -3.617 -15.876 5.224 1.00 2.52 H new ATOM 0 HD2 LYS A 106 -3.405 -18.861 5.873 1.00 2.40 H new ATOM 0 HD3 LYS A 106 -4.847 -17.884 6.064 1.00 2.40 H new ATOM 0 HE2 LYS A 106 -3.941 -17.405 3.395 1.00 2.93 H new ATOM 0 HE3 LYS A 106 -3.793 -19.134 3.640 1.00 2.93 H new ATOM 0 HZ1 LYS A 106 -6.011 -18.545 2.870 1.00 4.07 H new ATOM 0 HZ2 LYS A 106 -6.092 -19.191 4.438 1.00 4.07 H new ATOM 0 HZ3 LYS A 106 -6.236 -17.515 4.201 1.00 4.07 H new ATOM 1714 N GLU A 107 0.604 -16.969 3.586 1.00 0.86 N ATOM 1715 CA GLU A 107 1.823 -17.179 2.756 1.00 0.69 C ATOM 1716 C GLU A 107 1.606 -16.575 1.368 1.00 0.60 C ATOM 1717 O GLU A 107 0.529 -16.114 1.042 1.00 0.84 O ATOM 1718 CB GLU A 107 2.097 -18.679 2.622 1.00 0.85 C ATOM 1719 CG GLU A 107 2.466 -19.255 3.990 1.00 1.18 C ATOM 1720 CD GLU A 107 3.019 -20.671 3.816 1.00 1.53 C ATOM 1721 OE1 GLU A 107 2.253 -21.543 3.441 1.00 2.67 O ATOM 1722 OE2 GLU A 107 4.200 -20.858 4.060 1.00 0.83 O ATOM 0 H GLU A 107 -0.276 -16.954 3.070 1.00 0.86 H new ATOM 0 HA GLU A 107 2.675 -16.695 3.234 1.00 0.69 H new ATOM 0 HB2 GLU A 107 1.217 -19.186 2.228 1.00 0.85 H new ATOM 0 HB3 GLU A 107 2.907 -18.849 1.913 1.00 0.85 H new ATOM 0 HG2 GLU A 107 3.208 -18.621 4.475 1.00 1.18 H new ATOM 0 HG3 GLU A 107 1.589 -19.273 4.637 1.00 1.18 H new ATOM 1729 N ALA A 108 2.618 -16.573 0.545 1.00 0.35 N ATOM 1730 CA ALA A 108 2.468 -15.997 -0.821 1.00 0.37 C ATOM 1731 C ALA A 108 3.792 -16.128 -1.578 1.00 0.18 C ATOM 1732 O ALA A 108 4.803 -16.502 -1.019 1.00 0.17 O ATOM 1733 CB ALA A 108 2.086 -14.519 -0.713 1.00 0.48 C ATOM 0 H ALA A 108 3.543 -16.946 0.760 1.00 0.35 H new ATOM 0 HA ALA A 108 1.687 -16.535 -1.358 1.00 0.37 H new ATOM 0 HB1 ALA A 108 1.976 -14.098 -1.712 1.00 0.48 H new ATOM 0 HB2 ALA A 108 1.143 -14.425 -0.174 1.00 0.48 H new ATOM 0 HB3 ALA A 108 2.866 -13.980 -0.176 1.00 0.48 H new ATOM 1739 N ASP A 109 3.794 -15.821 -2.846 1.00 0.25 N ATOM 1740 CA ASP A 109 5.051 -15.928 -3.637 1.00 0.32 C ATOM 1741 C ASP A 109 5.823 -14.609 -3.550 1.00 0.33 C ATOM 1742 O ASP A 109 6.335 -14.247 -2.510 1.00 0.37 O ATOM 1743 CB ASP A 109 4.711 -16.224 -5.099 1.00 0.51 C ATOM 1744 CG ASP A 109 4.149 -17.642 -5.217 1.00 0.68 C ATOM 1745 OD1 ASP A 109 4.842 -18.566 -4.824 1.00 1.63 O ATOM 1746 OD2 ASP A 109 3.036 -17.780 -5.696 1.00 0.15 O ATOM 0 H ASP A 109 2.979 -15.501 -3.368 1.00 0.25 H new ATOM 0 HA ASP A 109 5.664 -16.735 -3.236 1.00 0.32 H new ATOM 0 HB2 ASP A 109 3.983 -15.501 -5.467 1.00 0.51 H new ATOM 0 HB3 ASP A 109 5.602 -16.122 -5.718 1.00 0.51 H new ATOM 1751 N GLN A 110 5.910 -13.889 -4.634 1.00 0.29 N ATOM 1752 CA GLN A 110 6.648 -12.595 -4.612 1.00 0.30 C ATOM 1753 C GLN A 110 5.992 -11.616 -5.588 1.00 0.16 C ATOM 1754 O GLN A 110 5.340 -12.012 -6.535 1.00 0.12 O ATOM 1755 CB GLN A 110 8.102 -12.830 -5.026 1.00 0.38 C ATOM 1756 CG GLN A 110 9.031 -12.418 -3.883 1.00 0.62 C ATOM 1757 CD GLN A 110 8.788 -13.324 -2.674 1.00 1.76 C ATOM 1758 OE1 GLN A 110 8.550 -12.849 -1.582 1.00 2.98 O ATOM 1759 NE2 GLN A 110 8.838 -14.620 -2.826 1.00 2.25 N ATOM 0 H GLN A 110 5.502 -14.141 -5.534 1.00 0.29 H new ATOM 0 HA GLN A 110 6.619 -12.178 -3.605 1.00 0.30 H new ATOM 0 HB2 GLN A 110 8.256 -13.880 -5.273 1.00 0.38 H new ATOM 0 HB3 GLN A 110 8.334 -12.255 -5.922 1.00 0.38 H new ATOM 0 HG2 GLN A 110 10.071 -12.490 -4.202 1.00 0.62 H new ATOM 0 HG3 GLN A 110 8.852 -11.377 -3.612 1.00 0.62 H new ATOM 0 HE21 GLN A 110 9.038 -15.019 -3.743 1.00 2.25 H new ATOM 0 HE22 GLN A 110 8.677 -15.234 -2.027 1.00 2.25 H new ATOM 1768 N SER A 111 6.157 -10.342 -5.366 1.00 0.17 N ATOM 1769 CA SER A 111 5.543 -9.340 -6.282 1.00 0.27 C ATOM 1770 C SER A 111 6.360 -8.046 -6.244 1.00 0.26 C ATOM 1771 O SER A 111 6.764 -7.586 -5.195 1.00 0.43 O ATOM 1772 CB SER A 111 4.111 -9.049 -5.832 1.00 0.44 C ATOM 1773 OG SER A 111 4.098 -8.798 -4.433 1.00 0.49 O ATOM 0 H SER A 111 6.691 -9.951 -4.590 1.00 0.17 H new ATOM 0 HA SER A 111 5.533 -9.735 -7.298 1.00 0.27 H new ATOM 0 HB2 SER A 111 3.717 -8.188 -6.371 1.00 0.44 H new ATOM 0 HB3 SER A 111 3.465 -9.895 -6.067 1.00 0.44 H new ATOM 0 HG SER A 111 3.754 -7.896 -4.266 1.00 0.49 H new ATOM 1779 N THR A 112 6.606 -7.455 -7.381 1.00 0.18 N ATOM 1780 CA THR A 112 7.396 -6.193 -7.411 1.00 0.14 C ATOM 1781 C THR A 112 6.509 -5.026 -6.973 1.00 0.05 C ATOM 1782 O THR A 112 5.357 -4.935 -7.349 1.00 0.07 O ATOM 1783 CB THR A 112 7.907 -5.943 -8.831 1.00 0.19 C ATOM 1784 OG1 THR A 112 6.840 -6.116 -9.753 1.00 0.21 O ATOM 1785 CG2 THR A 112 9.029 -6.929 -9.154 1.00 0.30 C ATOM 0 H THR A 112 6.293 -7.793 -8.291 1.00 0.18 H new ATOM 0 HA THR A 112 8.244 -6.279 -6.732 1.00 0.14 H new ATOM 0 HB THR A 112 8.291 -4.925 -8.905 1.00 0.19 H new ATOM 0 HG1 THR A 112 7.170 -6.577 -10.553 1.00 0.21 H new ATOM 0 HG21 THR A 112 9.391 -6.749 -10.166 1.00 0.30 H new ATOM 0 HG22 THR A 112 9.847 -6.794 -8.446 1.00 0.30 H new ATOM 0 HG23 THR A 112 8.650 -7.948 -9.080 1.00 0.30 H new ATOM 1793 N LEU A 113 7.035 -4.131 -6.183 1.00 0.10 N ATOM 1794 CA LEU A 113 6.220 -2.971 -5.722 1.00 0.09 C ATOM 1795 C LEU A 113 5.501 -2.349 -6.921 1.00 0.08 C ATOM 1796 O LEU A 113 4.460 -1.738 -6.783 1.00 0.12 O ATOM 1797 CB LEU A 113 7.138 -1.925 -5.081 1.00 0.15 C ATOM 1798 CG LEU A 113 6.316 -0.999 -4.179 1.00 0.30 C ATOM 1799 CD1 LEU A 113 6.061 -1.667 -2.822 1.00 0.51 C ATOM 1800 CD2 LEU A 113 7.084 0.307 -3.962 1.00 0.37 C ATOM 0 H LEU A 113 7.994 -4.152 -5.837 1.00 0.10 H new ATOM 0 HA LEU A 113 5.486 -3.309 -4.990 1.00 0.09 H new ATOM 0 HB2 LEU A 113 7.916 -2.418 -4.499 1.00 0.15 H new ATOM 0 HB3 LEU A 113 7.639 -1.344 -5.855 1.00 0.15 H new ATOM 0 HG LEU A 113 5.359 -0.794 -4.659 1.00 0.30 H new ATOM 0 HD11 LEU A 113 5.476 -0.998 -2.191 1.00 0.51 H new ATOM 0 HD12 LEU A 113 5.512 -2.597 -2.972 1.00 0.51 H new ATOM 0 HD13 LEU A 113 7.013 -1.882 -2.337 1.00 0.51 H new ATOM 0 HD21 LEU A 113 6.502 0.969 -3.320 1.00 0.37 H new ATOM 0 HD22 LEU A 113 8.042 0.092 -3.488 1.00 0.37 H new ATOM 0 HD23 LEU A 113 7.256 0.792 -4.923 1.00 0.37 H new ATOM 1812 N GLU A 114 6.047 -2.501 -8.097 1.00 0.16 N ATOM 1813 CA GLU A 114 5.392 -1.918 -9.302 1.00 0.23 C ATOM 1814 C GLU A 114 4.129 -2.714 -9.632 1.00 0.24 C ATOM 1815 O GLU A 114 3.024 -2.286 -9.360 1.00 0.24 O ATOM 1816 CB GLU A 114 6.359 -1.979 -10.487 1.00 0.30 C ATOM 1817 CG GLU A 114 5.778 -1.188 -11.661 1.00 0.37 C ATOM 1818 CD GLU A 114 6.726 -1.282 -12.858 1.00 0.95 C ATOM 1819 OE1 GLU A 114 7.622 -2.109 -12.816 1.00 2.04 O ATOM 1820 OE2 GLU A 114 6.541 -0.523 -13.796 1.00 1.28 O ATOM 0 H GLU A 114 6.917 -3.003 -8.275 1.00 0.16 H new ATOM 0 HA GLU A 114 5.125 -0.880 -9.104 1.00 0.23 H new ATOM 0 HB2 GLU A 114 7.327 -1.568 -10.201 1.00 0.30 H new ATOM 0 HB3 GLU A 114 6.527 -3.015 -10.780 1.00 0.30 H new ATOM 0 HG2 GLU A 114 4.797 -1.581 -11.928 1.00 0.37 H new ATOM 0 HG3 GLU A 114 5.637 -0.145 -11.376 1.00 0.37 H new ATOM 1827 N ASN A 115 4.280 -3.871 -10.217 1.00 0.24 N ATOM 1828 CA ASN A 115 3.088 -4.694 -10.564 1.00 0.25 C ATOM 1829 C ASN A 115 2.160 -4.782 -9.350 1.00 0.23 C ATOM 1830 O ASN A 115 0.952 -4.797 -9.480 1.00 0.37 O ATOM 1831 CB ASN A 115 3.537 -6.100 -10.966 1.00 0.25 C ATOM 1832 CG ASN A 115 3.958 -6.099 -12.437 1.00 0.45 C ATOM 1833 OD1 ASN A 115 3.127 -6.186 -13.319 1.00 1.38 O ATOM 1834 ND2 ASN A 115 5.224 -6.005 -12.740 1.00 0.77 N ATOM 0 H ASN A 115 5.179 -4.282 -10.470 1.00 0.24 H new ATOM 0 HA ASN A 115 2.557 -4.232 -11.396 1.00 0.25 H new ATOM 0 HB2 ASN A 115 4.369 -6.421 -10.339 1.00 0.25 H new ATOM 0 HB3 ASN A 115 2.726 -6.811 -10.809 1.00 0.25 H new ATOM 0 HD21 ASN A 115 5.516 -6.005 -13.717 1.00 0.77 H new ATOM 0 HD22 ASN A 115 5.922 -5.932 -11.999 1.00 0.77 H new ATOM 1841 N PHE A 116 2.715 -4.842 -8.170 1.00 0.08 N ATOM 1842 CA PHE A 116 1.864 -4.930 -6.950 1.00 0.09 C ATOM 1843 C PHE A 116 0.992 -3.678 -6.847 1.00 0.13 C ATOM 1844 O PHE A 116 -0.175 -3.749 -6.513 1.00 0.08 O ATOM 1845 CB PHE A 116 2.756 -5.035 -5.712 1.00 0.08 C ATOM 1846 CG PHE A 116 1.896 -5.067 -4.472 1.00 0.11 C ATOM 1847 CD1 PHE A 116 1.456 -3.870 -3.895 1.00 0.15 C ATOM 1848 CD2 PHE A 116 1.538 -6.293 -3.900 1.00 0.13 C ATOM 1849 CE1 PHE A 116 0.658 -3.899 -2.745 1.00 0.19 C ATOM 1850 CE2 PHE A 116 0.740 -6.323 -2.750 1.00 0.17 C ATOM 1851 CZ PHE A 116 0.300 -5.126 -2.172 1.00 0.20 C ATOM 0 H PHE A 116 3.720 -4.834 -7.998 1.00 0.08 H new ATOM 0 HA PHE A 116 1.227 -5.812 -7.013 1.00 0.09 H new ATOM 0 HB2 PHE A 116 3.367 -5.936 -5.767 1.00 0.08 H new ATOM 0 HB3 PHE A 116 3.440 -4.188 -5.671 1.00 0.08 H new ATOM 0 HD1 PHE A 116 1.732 -2.924 -4.337 1.00 0.15 H new ATOM 0 HD2 PHE A 116 1.877 -7.216 -4.346 1.00 0.13 H new ATOM 0 HE1 PHE A 116 0.319 -2.975 -2.300 1.00 0.19 H new ATOM 0 HE2 PHE A 116 0.464 -7.269 -2.309 1.00 0.17 H new ATOM 0 HZ PHE A 116 -0.315 -5.149 -1.285 1.00 0.20 H new ATOM 1861 N LEU A 117 1.547 -2.532 -7.129 1.00 0.24 N ATOM 1862 CA LEU A 117 0.748 -1.277 -7.046 1.00 0.28 C ATOM 1863 C LEU A 117 -0.258 -1.236 -8.198 1.00 0.27 C ATOM 1864 O LEU A 117 -1.225 -0.502 -8.164 1.00 0.35 O ATOM 1865 CB LEU A 117 1.685 -0.069 -7.143 1.00 0.34 C ATOM 1866 CG LEU A 117 2.045 0.415 -5.736 1.00 0.35 C ATOM 1867 CD1 LEU A 117 3.325 1.250 -5.798 1.00 0.36 C ATOM 1868 CD2 LEU A 117 0.906 1.274 -5.180 1.00 0.57 C ATOM 0 H LEU A 117 2.519 -2.410 -7.413 1.00 0.24 H new ATOM 0 HA LEU A 117 0.214 -1.248 -6.096 1.00 0.28 H new ATOM 0 HB2 LEU A 117 2.589 -0.340 -7.688 1.00 0.34 H new ATOM 0 HB3 LEU A 117 1.204 0.733 -7.703 1.00 0.34 H new ATOM 0 HG LEU A 117 2.200 -0.446 -5.086 1.00 0.35 H new ATOM 0 HD11 LEU A 117 3.583 1.596 -4.797 1.00 0.36 H new ATOM 0 HD12 LEU A 117 4.138 0.641 -6.192 1.00 0.36 H new ATOM 0 HD13 LEU A 117 3.167 2.110 -6.449 1.00 0.36 H new ATOM 0 HD21 LEU A 117 1.165 1.617 -4.178 1.00 0.57 H new ATOM 0 HD22 LEU A 117 0.749 2.135 -5.830 1.00 0.57 H new ATOM 0 HD23 LEU A 117 -0.008 0.682 -5.136 1.00 0.57 H new ATOM 1880 N GLU A 118 -0.038 -2.019 -9.218 1.00 0.24 N ATOM 1881 CA GLU A 118 -0.982 -2.024 -10.371 1.00 0.25 C ATOM 1882 C GLU A 118 -2.207 -2.872 -10.023 1.00 0.23 C ATOM 1883 O GLU A 118 -3.314 -2.377 -9.947 1.00 0.23 O ATOM 1884 CB GLU A 118 -0.284 -2.616 -11.598 1.00 0.26 C ATOM 1885 CG GLU A 118 -1.118 -2.326 -12.849 1.00 0.38 C ATOM 1886 CD GLU A 118 -0.937 -0.863 -13.255 1.00 0.87 C ATOM 1887 OE1 GLU A 118 -0.212 -0.162 -12.567 1.00 1.68 O ATOM 1888 OE2 GLU A 118 -1.526 -0.467 -14.247 1.00 1.39 O ATOM 0 H GLU A 118 0.755 -2.655 -9.303 1.00 0.24 H new ATOM 0 HA GLU A 118 -1.296 -1.003 -10.588 1.00 0.25 H new ATOM 0 HB2 GLU A 118 0.713 -2.187 -11.705 1.00 0.26 H new ATOM 0 HB3 GLU A 118 -0.157 -3.691 -11.474 1.00 0.26 H new ATOM 0 HG2 GLU A 118 -0.810 -2.981 -13.664 1.00 0.38 H new ATOM 0 HG3 GLU A 118 -2.170 -2.533 -12.653 1.00 0.38 H new ATOM 1895 N ARG A 119 -2.018 -4.146 -9.811 1.00 0.21 N ATOM 1896 CA ARG A 119 -3.174 -5.023 -9.468 1.00 0.19 C ATOM 1897 C ARG A 119 -3.937 -4.424 -8.286 1.00 0.18 C ATOM 1898 O ARG A 119 -5.150 -4.443 -8.245 1.00 0.19 O ATOM 1899 CB ARG A 119 -2.662 -6.416 -9.093 1.00 0.14 C ATOM 1900 CG ARG A 119 -1.757 -6.313 -7.864 1.00 0.08 C ATOM 1901 CD ARG A 119 -0.706 -7.424 -7.909 1.00 0.26 C ATOM 1902 NE ARG A 119 -1.335 -8.683 -8.400 1.00 0.20 N ATOM 1903 CZ ARG A 119 -0.586 -9.673 -8.802 1.00 0.26 C ATOM 1904 NH1 ARG A 119 0.714 -9.561 -8.774 1.00 0.74 N ATOM 1905 NH2 ARG A 119 -1.137 -10.775 -9.233 1.00 0.38 N ATOM 0 H ARG A 119 -1.115 -4.617 -9.860 1.00 0.21 H new ATOM 0 HA ARG A 119 -3.840 -5.099 -10.327 1.00 0.19 H new ATOM 0 HB2 ARG A 119 -3.501 -7.080 -8.885 1.00 0.14 H new ATOM 0 HB3 ARG A 119 -2.112 -6.850 -9.928 1.00 0.14 H new ATOM 0 HG2 ARG A 119 -1.270 -5.338 -7.839 1.00 0.08 H new ATOM 0 HG3 ARG A 119 -2.351 -6.396 -6.954 1.00 0.08 H new ATOM 0 HD2 ARG A 119 0.116 -7.136 -8.565 1.00 0.26 H new ATOM 0 HD3 ARG A 119 -0.283 -7.579 -6.917 1.00 0.26 H new ATOM 0 HE ARG A 119 -2.351 -8.771 -8.422 1.00 0.20 H new ATOM 0 HH11 ARG A 119 1.145 -8.700 -8.438 1.00 0.74 H new ATOM 0 HH12 ARG A 119 1.299 -10.335 -9.088 1.00 0.74 H new ATOM 0 HH21 ARG A 119 -2.153 -10.862 -9.256 1.00 0.38 H new ATOM 0 HH22 ARG A 119 -0.552 -11.549 -9.547 1.00 0.38 H new ATOM 1919 N LEU A 120 -3.235 -3.891 -7.323 1.00 0.18 N ATOM 1920 CA LEU A 120 -3.922 -3.291 -6.145 1.00 0.18 C ATOM 1921 C LEU A 120 -4.798 -2.127 -6.612 1.00 0.23 C ATOM 1922 O LEU A 120 -5.998 -2.126 -6.422 1.00 0.24 O ATOM 1923 CB LEU A 120 -2.873 -2.780 -5.151 1.00 0.17 C ATOM 1924 CG LEU A 120 -3.495 -2.641 -3.758 1.00 0.18 C ATOM 1925 CD1 LEU A 120 -2.413 -2.233 -2.757 1.00 0.19 C ATOM 1926 CD2 LEU A 120 -4.593 -1.572 -3.777 1.00 0.22 C ATOM 0 H LEU A 120 -2.216 -3.845 -7.302 1.00 0.18 H new ATOM 0 HA LEU A 120 -4.544 -4.042 -5.659 1.00 0.18 H new ATOM 0 HB2 LEU A 120 -2.029 -3.469 -5.114 1.00 0.17 H new ATOM 0 HB3 LEU A 120 -2.485 -1.817 -5.483 1.00 0.17 H new ATOM 0 HG LEU A 120 -3.929 -3.597 -3.466 1.00 0.18 H new ATOM 0 HD11 LEU A 120 -2.854 -2.134 -1.765 1.00 0.19 H new ATOM 0 HD12 LEU A 120 -1.634 -2.995 -2.733 1.00 0.19 H new ATOM 0 HD13 LEU A 120 -1.979 -1.280 -3.058 1.00 0.19 H new ATOM 0 HD21 LEU A 120 -5.029 -1.481 -2.782 1.00 0.22 H new ATOM 0 HD22 LEU A 120 -4.164 -0.615 -4.074 1.00 0.22 H new ATOM 0 HD23 LEU A 120 -5.368 -1.859 -4.488 1.00 0.22 H new ATOM 1938 N LYS A 121 -4.208 -1.136 -7.222 1.00 0.26 N ATOM 1939 CA LYS A 121 -5.008 0.026 -7.700 1.00 0.31 C ATOM 1940 C LYS A 121 -6.234 -0.479 -8.465 1.00 0.30 C ATOM 1941 O LYS A 121 -7.316 0.062 -8.349 1.00 0.31 O ATOM 1942 CB LYS A 121 -4.149 0.891 -8.627 1.00 0.39 C ATOM 1943 CG LYS A 121 -4.790 2.272 -8.776 1.00 0.25 C ATOM 1944 CD LYS A 121 -3.914 3.146 -9.676 1.00 0.35 C ATOM 1945 CE LYS A 121 -4.642 3.410 -10.995 1.00 0.89 C ATOM 1946 NZ LYS A 121 -3.763 4.206 -11.897 1.00 1.07 N ATOM 0 H LYS A 121 -3.207 -1.081 -7.410 1.00 0.26 H new ATOM 0 HA LYS A 121 -5.332 0.620 -6.845 1.00 0.31 H new ATOM 0 HB2 LYS A 121 -3.142 0.988 -8.222 1.00 0.39 H new ATOM 0 HB3 LYS A 121 -4.055 0.415 -9.603 1.00 0.39 H new ATOM 0 HG2 LYS A 121 -5.788 2.177 -9.203 1.00 0.25 H new ATOM 0 HG3 LYS A 121 -4.905 2.739 -7.798 1.00 0.25 H new ATOM 0 HD2 LYS A 121 -3.689 4.089 -9.178 1.00 0.35 H new ATOM 0 HD3 LYS A 121 -2.962 2.651 -9.867 1.00 0.35 H new ATOM 0 HE2 LYS A 121 -4.909 2.466 -11.470 1.00 0.89 H new ATOM 0 HE3 LYS A 121 -5.572 3.948 -10.808 1.00 0.89 H new ATOM 0 HZ1 LYS A 121 -4.258 4.386 -12.794 1.00 1.07 H new ATOM 0 HZ2 LYS A 121 -3.529 5.112 -11.443 1.00 1.07 H new ATOM 0 HZ3 LYS A 121 -2.888 3.677 -12.084 1.00 1.07 H new ATOM 1960 N THR A 122 -6.073 -1.511 -9.247 1.00 0.33 N ATOM 1961 CA THR A 122 -7.229 -2.049 -10.018 1.00 0.35 C ATOM 1962 C THR A 122 -8.263 -2.627 -9.050 1.00 0.28 C ATOM 1963 O THR A 122 -9.422 -2.263 -9.075 1.00 0.22 O ATOM 1964 CB THR A 122 -6.743 -3.150 -10.963 1.00 0.42 C ATOM 1965 OG1 THR A 122 -5.610 -2.688 -11.683 1.00 0.46 O ATOM 1966 CG2 THR A 122 -7.860 -3.514 -11.944 1.00 0.53 C ATOM 0 H THR A 122 -5.191 -2.005 -9.385 1.00 0.33 H new ATOM 0 HA THR A 122 -7.684 -1.246 -10.599 1.00 0.35 H new ATOM 0 HB THR A 122 -6.471 -4.032 -10.383 1.00 0.42 H new ATOM 0 HG1 THR A 122 -4.815 -2.742 -11.112 1.00 0.46 H new ATOM 0 HG21 THR A 122 -7.512 -4.298 -12.616 1.00 0.53 H new ATOM 0 HG22 THR A 122 -8.729 -3.870 -11.390 1.00 0.53 H new ATOM 0 HG23 THR A 122 -8.135 -2.634 -12.525 1.00 0.53 H new ATOM 1974 N ILE A 123 -7.854 -3.525 -8.195 1.00 0.31 N ATOM 1975 CA ILE A 123 -8.814 -4.124 -7.228 1.00 0.26 C ATOM 1976 C ILE A 123 -9.611 -3.012 -6.544 1.00 0.20 C ATOM 1977 O ILE A 123 -10.812 -3.104 -6.383 1.00 0.18 O ATOM 1978 CB ILE A 123 -8.044 -4.921 -6.173 1.00 0.23 C ATOM 1979 CG1 ILE A 123 -7.402 -6.146 -6.829 1.00 0.14 C ATOM 1980 CG2 ILE A 123 -9.006 -5.378 -5.074 1.00 0.34 C ATOM 1981 CD1 ILE A 123 -6.289 -6.684 -5.928 1.00 0.11 C ATOM 0 H ILE A 123 -6.896 -3.869 -8.125 1.00 0.31 H new ATOM 0 HA ILE A 123 -9.497 -4.787 -7.759 1.00 0.26 H new ATOM 0 HB ILE A 123 -7.268 -4.291 -5.737 1.00 0.23 H new ATOM 0 HG12 ILE A 123 -8.153 -6.918 -6.996 1.00 0.14 H new ATOM 0 HG13 ILE A 123 -6.997 -5.878 -7.805 1.00 0.14 H new ATOM 0 HG21 ILE A 123 -8.457 -5.946 -4.323 1.00 0.34 H new ATOM 0 HG22 ILE A 123 -9.465 -4.507 -4.607 1.00 0.34 H new ATOM 0 HG23 ILE A 123 -9.782 -6.008 -5.509 1.00 0.34 H new ATOM 0 HD11 ILE A 123 -5.832 -7.556 -6.395 1.00 0.11 H new ATOM 0 HD12 ILE A 123 -5.533 -5.912 -5.783 1.00 0.11 H new ATOM 0 HD13 ILE A 123 -6.708 -6.967 -4.962 1.00 0.11 H new ATOM 1993 N MET A 124 -8.953 -1.959 -6.140 1.00 0.19 N ATOM 1994 CA MET A 124 -9.674 -0.842 -5.468 1.00 0.15 C ATOM 1995 C MET A 124 -10.802 -0.344 -6.375 1.00 0.17 C ATOM 1996 O MET A 124 -11.968 -0.475 -6.060 1.00 0.28 O ATOM 1997 CB MET A 124 -8.697 0.303 -5.193 1.00 0.20 C ATOM 1998 CG MET A 124 -7.969 0.047 -3.872 1.00 0.11 C ATOM 1999 SD MET A 124 -9.111 0.311 -2.493 1.00 0.75 S ATOM 2000 CE MET A 124 -8.002 1.309 -1.469 1.00 0.66 C ATOM 0 H MET A 124 -7.948 -1.825 -6.247 1.00 0.19 H new ATOM 0 HA MET A 124 -10.094 -1.195 -4.526 1.00 0.15 H new ATOM 0 HB2 MET A 124 -7.977 0.384 -6.007 1.00 0.20 H new ATOM 0 HB3 MET A 124 -9.234 1.250 -5.147 1.00 0.20 H new ATOM 0 HG2 MET A 124 -7.583 -0.972 -3.849 1.00 0.11 H new ATOM 0 HG3 MET A 124 -7.112 0.714 -3.781 1.00 0.11 H new ATOM 0 HE1 MET A 124 -8.512 1.589 -0.547 1.00 0.66 H new ATOM 0 HE2 MET A 124 -7.110 0.731 -1.229 1.00 0.66 H new ATOM 0 HE3 MET A 124 -7.716 2.209 -2.013 1.00 0.66 H new ATOM 2010 N ARG A 125 -10.463 0.226 -7.499 1.00 0.08 N ATOM 2011 CA ARG A 125 -11.516 0.732 -8.424 1.00 0.09 C ATOM 2012 C ARG A 125 -12.590 -0.342 -8.610 1.00 0.09 C ATOM 2013 O ARG A 125 -13.706 -0.057 -8.996 1.00 0.10 O ATOM 2014 CB ARG A 125 -10.888 1.065 -9.778 1.00 0.13 C ATOM 2015 CG ARG A 125 -10.527 2.552 -9.822 1.00 0.15 C ATOM 2016 CD ARG A 125 -9.441 2.783 -10.873 1.00 0.83 C ATOM 2017 NE ARG A 125 -9.647 4.111 -11.518 1.00 0.77 N ATOM 2018 CZ ARG A 125 -8.690 4.651 -12.221 1.00 1.30 C ATOM 2019 NH1 ARG A 125 -7.552 4.028 -12.361 1.00 2.09 N ATOM 2020 NH2 ARG A 125 -8.871 5.814 -12.786 1.00 1.43 N ATOM 0 H ARG A 125 -9.503 0.363 -7.816 1.00 0.08 H new ATOM 0 HA ARG A 125 -11.969 1.630 -8.003 1.00 0.09 H new ATOM 0 HB2 ARG A 125 -9.996 0.459 -9.936 1.00 0.13 H new ATOM 0 HB3 ARG A 125 -11.583 0.825 -10.582 1.00 0.13 H new ATOM 0 HG2 ARG A 125 -11.410 3.145 -10.060 1.00 0.15 H new ATOM 0 HG3 ARG A 125 -10.177 2.881 -8.844 1.00 0.15 H new ATOM 0 HD2 ARG A 125 -8.456 2.742 -10.408 1.00 0.83 H new ATOM 0 HD3 ARG A 125 -9.473 1.993 -11.624 1.00 0.83 H new ATOM 0 HE ARG A 125 -10.537 4.598 -11.410 1.00 0.77 H new ATOM 0 HH11 ARG A 125 -7.411 3.119 -11.921 1.00 2.09 H new ATOM 0 HH12 ARG A 125 -6.804 4.450 -12.911 1.00 2.09 H new ATOM 0 HH21 ARG A 125 -9.761 6.301 -12.678 1.00 1.43 H new ATOM 0 HH22 ARG A 125 -8.123 6.236 -13.336 1.00 1.43 H new ATOM 2034 N GLU A 126 -12.262 -1.575 -8.340 1.00 0.13 N ATOM 2035 CA GLU A 126 -13.264 -2.666 -8.503 1.00 0.17 C ATOM 2036 C GLU A 126 -14.175 -2.708 -7.274 1.00 0.19 C ATOM 2037 O GLU A 126 -15.382 -2.780 -7.387 1.00 0.29 O ATOM 2038 CB GLU A 126 -12.540 -4.006 -8.647 1.00 0.14 C ATOM 2039 CG GLU A 126 -12.994 -4.696 -9.936 1.00 0.38 C ATOM 2040 CD GLU A 126 -12.225 -6.007 -10.111 1.00 0.94 C ATOM 2041 OE1 GLU A 126 -11.193 -6.156 -9.479 1.00 1.51 O ATOM 2042 OE2 GLU A 126 -12.683 -6.841 -10.876 1.00 1.49 O ATOM 0 H GLU A 126 -11.343 -1.875 -8.013 1.00 0.13 H new ATOM 0 HA GLU A 126 -13.863 -2.480 -9.394 1.00 0.17 H new ATOM 0 HB2 GLU A 126 -11.462 -3.848 -8.667 1.00 0.14 H new ATOM 0 HB3 GLU A 126 -12.754 -4.641 -7.787 1.00 0.14 H new ATOM 0 HG2 GLU A 126 -14.065 -4.893 -9.898 1.00 0.38 H new ATOM 0 HG3 GLU A 126 -12.820 -4.043 -10.791 1.00 0.38 H new ATOM 2049 N LYS A 127 -13.606 -2.663 -6.101 1.00 0.17 N ATOM 2050 CA LYS A 127 -14.440 -2.701 -4.866 1.00 0.23 C ATOM 2051 C LYS A 127 -14.958 -1.294 -4.559 1.00 0.25 C ATOM 2052 O LYS A 127 -15.771 -1.101 -3.677 1.00 0.35 O ATOM 2053 CB LYS A 127 -13.594 -3.201 -3.694 1.00 0.24 C ATOM 2054 CG LYS A 127 -13.074 -4.606 -4.002 1.00 0.22 C ATOM 2055 CD LYS A 127 -12.467 -5.215 -2.737 1.00 0.47 C ATOM 2056 CE LYS A 127 -12.098 -6.677 -3.000 1.00 0.36 C ATOM 2057 NZ LYS A 127 -13.303 -7.417 -3.468 1.00 1.51 N ATOM 0 H LYS A 127 -12.600 -2.602 -5.944 1.00 0.17 H new ATOM 0 HA LYS A 127 -15.284 -3.374 -5.017 1.00 0.23 H new ATOM 0 HB2 LYS A 127 -12.759 -2.523 -3.519 1.00 0.24 H new ATOM 0 HB3 LYS A 127 -14.190 -3.214 -2.781 1.00 0.24 H new ATOM 0 HG2 LYS A 127 -13.887 -5.234 -4.367 1.00 0.22 H new ATOM 0 HG3 LYS A 127 -12.325 -4.563 -4.793 1.00 0.22 H new ATOM 0 HD2 LYS A 127 -11.582 -4.653 -2.439 1.00 0.47 H new ATOM 0 HD3 LYS A 127 -13.177 -5.151 -1.913 1.00 0.47 H new ATOM 0 HE2 LYS A 127 -11.309 -6.735 -3.750 1.00 0.36 H new ATOM 0 HE3 LYS A 127 -11.708 -7.134 -2.091 1.00 0.36 H new ATOM 0 HZ1 LYS A 127 -13.175 -8.434 -3.294 1.00 1.51 H new ATOM 0 HZ2 LYS A 127 -14.140 -7.080 -2.951 1.00 1.51 H new ATOM 0 HZ3 LYS A 127 -13.437 -7.254 -4.486 1.00 1.51 H new ATOM 2071 N TYR A 128 -14.494 -0.310 -5.278 1.00 0.16 N ATOM 2072 CA TYR A 128 -14.961 1.082 -5.026 1.00 0.18 C ATOM 2073 C TYR A 128 -16.404 1.232 -5.511 1.00 0.25 C ATOM 2074 O TYR A 128 -16.909 2.327 -5.657 1.00 0.13 O ATOM 2075 CB TYR A 128 -14.064 2.065 -5.781 1.00 0.12 C ATOM 2076 CG TYR A 128 -14.474 3.480 -5.450 1.00 0.11 C ATOM 2077 CD1 TYR A 128 -14.097 4.050 -4.227 1.00 0.13 C ATOM 2078 CD2 TYR A 128 -15.233 4.221 -6.363 1.00 0.11 C ATOM 2079 CE1 TYR A 128 -14.478 5.362 -3.920 1.00 0.13 C ATOM 2080 CE2 TYR A 128 -15.614 5.533 -6.055 1.00 0.13 C ATOM 2081 CZ TYR A 128 -15.237 6.103 -4.834 1.00 0.13 C ATOM 2082 OH TYR A 128 -15.613 7.395 -4.530 1.00 0.15 O ATOM 0 H TYR A 128 -13.811 -0.410 -6.029 1.00 0.16 H new ATOM 0 HA TYR A 128 -14.913 1.293 -3.958 1.00 0.18 H new ATOM 0 HB2 TYR A 128 -13.021 1.904 -5.508 1.00 0.12 H new ATOM 0 HB3 TYR A 128 -14.143 1.894 -6.855 1.00 0.12 H new ATOM 0 HD1 TYR A 128 -13.513 3.478 -3.521 1.00 0.13 H new ATOM 0 HD2 TYR A 128 -15.525 3.781 -7.305 1.00 0.11 H new ATOM 0 HE1 TYR A 128 -14.186 5.802 -2.978 1.00 0.13 H new ATOM 0 HE2 TYR A 128 -16.199 6.105 -6.760 1.00 0.13 H new ATOM 0 HH TYR A 128 -16.134 7.767 -5.272 1.00 0.15 H new