USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 789 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 63 ASN : amide:sc= -2.52! K(o=-2.5!,f=-1.6) USER MOD Set 1.2: A 77 GLN : amide:sc= 0 K(o=-2.5,f=-1.9) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -177:sc= 0.197 (180deg=-0.00913) USER MOD Set 2.2: A 56 SER OG : rot -110:sc= 0.244 USER MOD Set 3.1: A 29 TYR OH : rot -3:sc= 1.15 USER MOD Set 3.2: A 42 GLN : amide:sc= -0.632! C(o=0.52!,f=-6!) USER MOD Single : A 13 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=-0.17) USER MOD Single : A 17 GLN : amide:sc= -0.597 K(o=-0.6,f=-3.2) USER MOD Single : A 26 LYS NZ :NH3+ 138:sc= 0.977! (180deg=-0.375) USER MOD Single : A 35 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.026) USER MOD Single : A 38 MET CE :methyl 178:sc= -0.0731 (180deg=-0.0901) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 142:sc= 1.26 (180deg=0.117) USER MOD Single : A 62 TYR OH : rot -27:sc= 0.888 USER MOD Single : A 66 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.5) USER MOD Single : A 67 HIS : no HD1:sc= -1.66! K(o=-1.7!,f=-0.053) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -0:sc= -0.461 USER MOD Single : A 79 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -152:sc= 2.92 (180deg=2.35) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -15:sc= 0.696 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 11.175 -2.878 4.228 1.00 3.85 N ATOM 109 CA ARG A 9 9.844 -2.743 4.809 1.00 3.14 C ATOM 110 C ARG A 9 9.666 -1.390 5.491 1.00 2.98 C ATOM 111 O ARG A 9 9.221 -1.304 6.638 1.00 3.23 O ATOM 112 CB ARG A 9 9.598 -3.882 5.801 1.00 2.97 C ATOM 113 CG ARG A 9 9.627 -5.260 5.153 1.00 3.11 C ATOM 114 CD ARG A 9 9.743 -6.375 6.182 1.00 3.35 C ATOM 115 NE ARG A 9 9.703 -7.705 5.562 1.00 3.78 N ATOM 116 CZ ARG A 9 9.884 -8.845 6.231 1.00 4.27 C ATOM 117 NH1 ARG A 9 10.381 -8.818 7.460 1.00 4.46 N ATOM 118 NH2 ARG A 9 9.821 -10.002 5.586 1.00 4.95 N ATOM 0 HA ARG A 9 9.111 -2.801 4.004 1.00 3.14 H new ATOM 0 HB2 ARG A 9 10.353 -3.841 6.586 1.00 2.97 H new ATOM 0 HB3 ARG A 9 8.631 -3.734 6.281 1.00 2.97 H new ATOM 0 HG2 ARG A 9 8.720 -5.403 4.565 1.00 3.11 H new ATOM 0 HG3 ARG A 9 10.467 -5.317 4.461 1.00 3.11 H new ATOM 0 HD2 ARG A 9 10.675 -6.261 6.735 1.00 3.35 H new ATOM 0 HD3 ARG A 9 8.931 -6.287 6.904 1.00 3.35 H new ATOM 0 HE ARG A 9 9.526 -7.761 4.559 1.00 3.78 H new ATOM 0 HH11 ARG A 9 10.624 -7.927 7.892 1.00 4.46 H new ATOM 0 HH12 ARG A 9 10.520 -9.689 7.973 1.00 4.46 H new ATOM 0 HH21 ARG A 9 9.635 -10.017 4.583 1.00 4.95 H new ATOM 0 HH22 ARG A 9 9.959 -10.876 6.093 1.00 4.95 H new ATOM 132 N ILE A 10 10.024 -0.343 4.772 1.00 2.78 N ATOM 133 CA ILE A 10 9.922 1.015 5.263 1.00 2.70 C ATOM 134 C ILE A 10 8.461 1.480 5.213 1.00 2.20 C ATOM 135 O ILE A 10 7.601 0.758 4.714 1.00 2.49 O ATOM 136 CB ILE A 10 10.835 1.939 4.414 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.008 3.314 5.065 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.288 2.078 2.999 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.014 4.191 4.353 1.00 3.25 C ATOM 0 H ILE A 10 10.396 -0.413 3.825 1.00 2.78 H new ATOM 0 HA ILE A 10 10.253 1.060 6.300 1.00 2.70 H new ATOM 0 HB ILE A 10 11.820 1.474 4.363 1.00 2.80 H new ATOM 0 HG12 ILE A 10 10.044 3.822 5.086 1.00 2.80 H new ATOM 0 HG13 ILE A 10 11.321 3.181 6.101 1.00 2.80 H new ATOM 0 HG21 ILE A 10 10.941 2.729 2.419 1.00 2.55 H new ATOM 0 HG22 ILE A 10 10.243 1.096 2.528 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.287 2.508 3.036 1.00 2.55 H new ATOM 0 HD11 ILE A 10 12.088 5.150 4.866 1.00 3.25 H new ATOM 0 HD12 ILE A 10 12.988 3.702 4.355 1.00 3.25 H new ATOM 0 HD13 ILE A 10 11.692 4.353 3.325 1.00 3.25 H new ATOM 151 N ILE A 11 8.198 2.666 5.750 1.00 1.98 N ATOM 152 CA ILE A 11 6.856 3.243 5.796 1.00 1.56 C ATOM 153 C ILE A 11 5.868 2.316 6.515 1.00 1.31 C ATOM 154 O ILE A 11 5.783 2.336 7.745 1.00 1.71 O ATOM 155 CB ILE A 11 6.311 3.622 4.391 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.261 4.595 3.684 1.00 1.94 C ATOM 157 CG2 ILE A 11 4.924 4.251 4.502 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.725 5.111 2.360 1.00 2.05 C ATOM 0 H ILE A 11 8.914 3.260 6.169 1.00 1.98 H new ATOM 0 HA ILE A 11 6.950 4.167 6.367 1.00 1.56 H new ATOM 0 HB ILE A 11 6.240 2.707 3.803 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.457 5.441 4.342 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.215 4.098 3.511 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.561 4.509 3.507 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.239 3.541 4.966 1.00 1.05 H new ATOM 0 HG23 ILE A 11 4.981 5.152 5.112 1.00 1.05 H new ATOM 0 HD11 ILE A 11 7.449 5.794 1.916 1.00 2.05 H new ATOM 0 HD12 ILE A 11 6.555 4.273 1.685 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.785 5.637 2.528 1.00 2.05 H new ATOM 170 N ARG A 12 5.117 1.513 5.769 1.00 0.96 N ATOM 171 CA ARG A 12 4.146 0.620 6.378 1.00 1.02 C ATOM 172 C ARG A 12 3.817 -0.557 5.456 1.00 0.77 C ATOM 173 O ARG A 12 4.014 -0.477 4.244 1.00 0.91 O ATOM 174 CB ARG A 12 2.873 1.403 6.696 1.00 1.53 C ATOM 175 CG ARG A 12 2.190 0.961 7.974 1.00 2.10 C ATOM 176 CD ARG A 12 2.948 1.427 9.203 1.00 2.67 C ATOM 177 NE ARG A 12 2.338 0.937 10.438 1.00 3.29 N ATOM 178 CZ ARG A 12 2.730 1.304 11.656 1.00 3.98 C ATOM 179 NH1 ARG A 12 3.644 2.253 11.804 1.00 4.30 N ATOM 180 NH2 ARG A 12 2.152 0.779 12.724 1.00 4.72 N ATOM 0 H ARG A 12 5.163 1.464 4.751 1.00 0.96 H new ATOM 0 HA ARG A 12 4.574 0.216 7.295 1.00 1.02 H new ATOM 0 HB2 ARG A 12 3.118 2.462 6.773 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.175 1.297 5.866 1.00 1.53 H new ATOM 0 HG2 ARG A 12 1.175 1.357 8.000 1.00 2.10 H new ATOM 0 HG3 ARG A 12 2.109 -0.126 7.987 1.00 2.10 H new ATOM 0 HD2 ARG A 12 3.980 1.081 9.146 1.00 2.67 H new ATOM 0 HD3 ARG A 12 2.977 2.516 9.220 1.00 2.67 H new ATOM 0 HE ARG A 12 1.566 0.275 10.362 1.00 3.29 H new ATOM 0 HH11 ARG A 12 4.049 2.704 10.983 1.00 4.30 H new ATOM 0 HH12 ARG A 12 3.943 2.532 12.739 1.00 4.30 H new ATOM 0 HH21 ARG A 12 1.406 0.093 12.614 1.00 4.72 H new ATOM 0 HH22 ARG A 12 2.453 1.061 13.657 1.00 4.72 H new ATOM 194 N HIS A 13 3.296 -1.636 6.035 1.00 0.70 N ATOM 195 CA HIS A 13 2.915 -2.826 5.271 1.00 0.68 C ATOM 196 C HIS A 13 1.781 -3.561 5.985 1.00 0.74 C ATOM 197 O HIS A 13 1.871 -3.822 7.187 1.00 1.04 O ATOM 198 CB HIS A 13 4.119 -3.768 5.074 1.00 0.93 C ATOM 199 CG HIS A 13 4.686 -4.346 6.342 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.432 -3.616 7.244 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.598 -5.596 6.860 1.00 1.46 C ATOM 202 CE1 HIS A 13 5.776 -4.389 8.258 1.00 1.98 C ATOM 203 NE2 HIS A 13 5.283 -5.593 8.048 1.00 1.80 N ATOM 0 H HIS A 13 3.126 -1.713 7.038 1.00 0.70 H new ATOM 0 HA HIS A 13 2.573 -2.506 4.287 1.00 0.68 H new ATOM 0 HB2 HIS A 13 3.817 -4.587 4.422 1.00 0.93 H new ATOM 0 HB3 HIS A 13 4.908 -3.222 4.556 1.00 0.93 H new ATOM 0 HD2 HIS A 13 4.084 -6.437 6.419 1.00 1.46 H new ATOM 0 HE1 HIS A 13 6.362 -4.086 9.113 1.00 1.98 H new ATOM 0 HE2 HIS A 13 5.393 -6.394 8.669 1.00 1.80 H new ATOM 212 N ASP A 14 0.714 -3.878 5.260 1.00 0.60 N ATOM 213 CA ASP A 14 -0.426 -4.571 5.855 1.00 0.69 C ATOM 214 C ASP A 14 -1.249 -5.303 4.798 1.00 0.61 C ATOM 215 O ASP A 14 -1.246 -4.933 3.630 1.00 0.86 O ATOM 216 CB ASP A 14 -1.318 -3.581 6.611 1.00 0.83 C ATOM 217 CG ASP A 14 -2.430 -4.283 7.363 1.00 1.31 C ATOM 218 OD1 ASP A 14 -2.122 -5.168 8.186 1.00 2.03 O ATOM 219 OD2 ASP A 14 -3.612 -3.972 7.125 1.00 1.78 O ATOM 0 H ASP A 14 0.613 -3.669 4.267 1.00 0.60 H new ATOM 0 HA ASP A 14 -0.033 -5.310 6.554 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.711 -3.008 7.312 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.749 -2.870 5.907 1.00 0.83 H new ATOM 224 N ALA A 15 -1.960 -6.335 5.224 1.00 0.75 N ATOM 225 CA ALA A 15 -2.798 -7.113 4.321 1.00 0.71 C ATOM 226 C ALA A 15 -4.233 -6.587 4.328 1.00 0.68 C ATOM 227 O ALA A 15 -4.947 -6.709 5.326 1.00 0.88 O ATOM 228 CB ALA A 15 -2.759 -8.583 4.704 1.00 0.84 C ATOM 0 H ALA A 15 -1.974 -6.655 6.192 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.407 -7.010 3.309 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.389 -9.154 4.022 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.734 -8.948 4.642 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.126 -8.703 5.723 1.00 0.84 H new ATOM 234 N PHE A 16 -4.651 -5.993 3.217 1.00 0.60 N ATOM 235 CA PHE A 16 -5.998 -5.441 3.108 1.00 0.67 C ATOM 236 C PHE A 16 -6.900 -6.312 2.240 1.00 0.68 C ATOM 237 O PHE A 16 -6.476 -6.854 1.223 1.00 1.00 O ATOM 238 CB PHE A 16 -5.970 -4.036 2.496 1.00 0.77 C ATOM 239 CG PHE A 16 -5.476 -2.940 3.400 1.00 1.09 C ATOM 240 CD1 PHE A 16 -4.195 -2.964 3.923 1.00 1.83 C ATOM 241 CD2 PHE A 16 -6.296 -1.864 3.703 1.00 1.74 C ATOM 242 CE1 PHE A 16 -3.742 -1.939 4.728 1.00 2.36 C ATOM 243 CE2 PHE A 16 -5.850 -0.839 4.510 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.569 -0.875 5.022 1.00 2.35 C ATOM 0 H PHE A 16 -4.079 -5.881 2.380 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.395 -5.404 4.123 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.340 -4.060 1.607 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -6.978 -3.783 2.166 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -3.542 -3.795 3.698 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -7.298 -1.828 3.301 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -2.739 -1.970 5.128 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -6.502 -0.009 4.741 1.00 2.26 H new ATOM 0 HZ PHE A 16 -4.215 -0.072 5.651 1.00 2.35 H new ATOM 254 N GLN A 17 -8.164 -6.373 2.617 1.00 0.59 N ATOM 255 CA GLN A 17 -9.173 -7.093 1.858 1.00 0.60 C ATOM 256 C GLN A 17 -9.989 -6.022 1.160 1.00 0.64 C ATOM 257 O GLN A 17 -10.924 -5.455 1.727 1.00 0.95 O ATOM 258 CB GLN A 17 -10.028 -7.973 2.786 1.00 0.74 C ATOM 259 CG GLN A 17 -11.172 -8.715 2.100 1.00 1.07 C ATOM 260 CD GLN A 17 -10.707 -9.722 1.066 1.00 1.26 C ATOM 261 OE1 GLN A 17 -10.114 -9.359 0.060 1.00 1.81 O ATOM 262 NE2 GLN A 17 -10.981 -10.996 1.306 1.00 1.63 N ATOM 0 H GLN A 17 -8.522 -5.924 3.460 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.737 -7.780 1.132 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -9.379 -8.704 3.268 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.443 -7.346 3.575 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.765 -9.230 2.856 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -11.828 -7.990 1.619 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -11.478 -11.259 2.157 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -10.695 -11.713 0.640 1.00 1.63 H new ATOM 271 N VAL A 18 -9.544 -5.680 -0.030 1.00 0.51 N ATOM 272 CA VAL A 18 -10.127 -4.590 -0.780 1.00 0.59 C ATOM 273 C VAL A 18 -10.652 -4.996 -2.159 1.00 0.60 C ATOM 274 O VAL A 18 -10.295 -6.038 -2.710 1.00 1.04 O ATOM 275 CB VAL A 18 -9.058 -3.484 -0.911 1.00 0.83 C ATOM 276 CG1 VAL A 18 -7.743 -4.095 -1.365 1.00 0.84 C ATOM 277 CG2 VAL A 18 -9.504 -2.363 -1.833 1.00 1.24 C ATOM 0 H VAL A 18 -8.771 -6.148 -0.503 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.003 -4.238 -0.236 1.00 0.59 H new ATOM 0 HB VAL A 18 -8.914 -3.030 0.069 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -6.990 -3.312 -1.457 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -7.412 -4.832 -0.633 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -7.882 -4.580 -2.331 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -8.720 -1.608 -1.894 1.00 1.24 H new ATOM 0 HG22 VAL A 18 -9.699 -2.765 -2.827 1.00 1.24 H new ATOM 0 HG23 VAL A 18 -10.414 -1.909 -1.441 1.00 1.24 H new ATOM 287 N TRP A 19 -11.483 -4.112 -2.707 1.00 0.63 N ATOM 288 CA TRP A 19 -12.096 -4.252 -4.007 1.00 0.65 C ATOM 289 C TRP A 19 -11.342 -3.372 -5.007 1.00 0.68 C ATOM 290 O TRP A 19 -11.647 -2.183 -5.141 1.00 1.04 O ATOM 291 CB TRP A 19 -13.542 -3.755 -3.911 1.00 0.72 C ATOM 292 CG TRP A 19 -14.201 -4.095 -2.609 1.00 0.75 C ATOM 293 CD1 TRP A 19 -14.947 -5.204 -2.335 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.136 -3.341 -1.383 1.00 0.78 C ATOM 295 NE1 TRP A 19 -15.370 -5.178 -1.028 1.00 0.90 N ATOM 296 CE2 TRP A 19 -14.881 -4.054 -0.422 1.00 0.87 C ATOM 297 CE3 TRP A 19 -13.522 -2.134 -0.996 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -15.033 -3.605 0.886 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -13.674 -1.702 0.293 1.00 0.89 C ATOM 300 CH2 TRP A 19 -14.420 -2.431 1.226 1.00 0.96 C ATOM 0 H TRP A 19 -11.752 -3.250 -2.233 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.068 -5.293 -4.330 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.557 -2.673 -4.046 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.122 -4.186 -4.727 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.172 -5.988 -3.043 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -15.955 -5.884 -0.581 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -12.942 -1.560 -1.704 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -15.613 -4.163 1.606 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -13.207 -0.777 0.598 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -14.513 -2.059 2.235 1.00 0.96 H new ATOM 311 N GLU A 20 -10.348 -3.920 -5.683 1.00 0.69 N ATOM 312 CA GLU A 20 -9.571 -3.132 -6.636 1.00 0.77 C ATOM 313 C GLU A 20 -10.181 -3.206 -8.030 1.00 1.18 C ATOM 314 O GLU A 20 -10.430 -4.290 -8.556 1.00 1.81 O ATOM 315 CB GLU A 20 -8.098 -3.573 -6.656 1.00 1.04 C ATOM 316 CG GLU A 20 -7.817 -4.867 -5.907 1.00 1.26 C ATOM 317 CD GLU A 20 -8.262 -6.089 -6.676 1.00 1.90 C ATOM 318 OE1 GLU A 20 -7.589 -6.455 -7.661 1.00 2.42 O ATOM 319 OE2 GLU A 20 -9.289 -6.681 -6.310 1.00 2.62 O ATOM 0 H GLU A 20 -10.059 -4.894 -5.595 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.601 -2.093 -6.309 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -7.781 -3.692 -7.692 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -7.488 -2.779 -6.225 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -6.749 -4.940 -5.702 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -8.326 -4.843 -4.943 1.00 1.26 H new ATOM 326 N GLY A 21 -10.452 -2.036 -8.607 1.00 1.49 N ATOM 327 CA GLY A 21 -11.065 -1.971 -9.924 1.00 1.95 C ATOM 328 C GLY A 21 -12.522 -2.367 -9.861 1.00 2.05 C ATOM 329 O GLY A 21 -13.125 -2.738 -10.867 1.00 2.48 O ATOM 0 H GLY A 21 -10.257 -1.129 -8.183 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -10.976 -0.960 -10.322 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -10.534 -2.631 -10.610 1.00 1.95 H new ATOM 333 N ASP A 22 -13.060 -2.310 -8.644 1.00 2.34 N ATOM 334 CA ASP A 22 -14.444 -2.680 -8.356 1.00 2.75 C ATOM 335 C ASP A 22 -14.656 -4.173 -8.540 1.00 2.43 C ATOM 336 O ASP A 22 -15.781 -4.667 -8.476 1.00 2.85 O ATOM 337 CB ASP A 22 -15.445 -1.882 -9.195 1.00 3.62 C ATOM 338 CG ASP A 22 -15.795 -0.556 -8.555 1.00 4.19 C ATOM 339 OD1 ASP A 22 -16.245 -0.554 -7.386 1.00 4.65 O ATOM 340 OD2 ASP A 22 -15.635 0.493 -9.213 1.00 4.60 O ATOM 0 H ASP A 22 -12.541 -2.002 -7.821 1.00 2.34 H new ATOM 0 HA ASP A 22 -14.629 -2.429 -7.312 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -15.028 -1.706 -10.187 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -16.353 -2.469 -9.331 1.00 3.62 H new ATOM 345 N GLU A 23 -13.558 -4.886 -8.735 1.00 2.07 N ATOM 346 CA GLU A 23 -13.584 -6.329 -8.895 1.00 2.37 C ATOM 347 C GLU A 23 -13.856 -6.989 -7.552 1.00 1.70 C ATOM 348 O GLU A 23 -13.793 -6.320 -6.516 1.00 1.86 O ATOM 349 CB GLU A 23 -12.236 -6.827 -9.410 1.00 3.34 C ATOM 350 CG GLU A 23 -12.101 -6.855 -10.915 1.00 4.22 C ATOM 351 CD GLU A 23 -11.335 -8.077 -11.366 1.00 5.12 C ATOM 352 OE1 GLU A 23 -10.237 -8.328 -10.826 1.00 5.78 O ATOM 353 OE2 GLU A 23 -11.839 -8.808 -12.243 1.00 5.52 O ATOM 0 H GLU A 23 -12.624 -4.479 -8.787 1.00 2.07 H new ATOM 0 HA GLU A 23 -14.369 -6.583 -9.608 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -11.450 -6.192 -9.001 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -12.066 -7.833 -9.026 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -13.090 -6.852 -11.373 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -11.589 -5.954 -11.255 1.00 4.22 H new ATOM 360 N PRO A 24 -14.134 -8.307 -7.535 1.00 1.42 N ATOM 361 CA PRO A 24 -14.369 -9.020 -6.288 1.00 1.17 C ATOM 362 C PRO A 24 -13.157 -8.884 -5.377 1.00 0.97 C ATOM 363 O PRO A 24 -12.015 -8.935 -5.850 1.00 1.08 O ATOM 364 CB PRO A 24 -14.581 -10.477 -6.718 1.00 1.65 C ATOM 365 CG PRO A 24 -14.026 -10.565 -8.097 1.00 2.09 C ATOM 366 CD PRO A 24 -14.211 -9.204 -8.704 1.00 2.00 C ATOM 0 HA PRO A 24 -15.221 -8.635 -5.728 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -14.070 -11.164 -6.044 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -15.638 -10.742 -6.702 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -12.972 -10.843 -8.077 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -14.546 -11.326 -8.679 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -13.436 -8.980 -9.437 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -15.169 -9.117 -9.217 1.00 2.00 H new ATOM 374 N PRO A 25 -13.391 -8.677 -4.071 1.00 0.88 N ATOM 375 CA PRO A 25 -12.334 -8.494 -3.077 1.00 0.77 C ATOM 376 C PRO A 25 -11.183 -9.485 -3.223 1.00 0.74 C ATOM 377 O PRO A 25 -11.386 -10.672 -3.507 1.00 0.92 O ATOM 378 CB PRO A 25 -13.060 -8.682 -1.730 1.00 0.92 C ATOM 379 CG PRO A 25 -14.447 -9.117 -2.077 1.00 1.08 C ATOM 380 CD PRO A 25 -14.711 -8.576 -3.449 1.00 1.09 C ATOM 0 HA PRO A 25 -11.857 -7.520 -3.184 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -12.558 -9.429 -1.115 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -13.072 -7.754 -1.158 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -14.532 -10.204 -2.062 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.170 -8.731 -1.358 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.460 -9.162 -3.982 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.072 -7.548 -3.420 1.00 1.09 H new ATOM 388 N LYS A 26 -9.981 -8.985 -2.992 1.00 0.65 N ATOM 389 CA LYS A 26 -8.774 -9.789 -3.052 1.00 0.73 C ATOM 390 C LYS A 26 -7.876 -9.377 -1.907 1.00 0.66 C ATOM 391 O LYS A 26 -7.812 -8.192 -1.561 1.00 0.88 O ATOM 392 CB LYS A 26 -8.007 -9.600 -4.372 1.00 0.95 C ATOM 393 CG LYS A 26 -8.807 -9.882 -5.635 1.00 1.34 C ATOM 394 CD LYS A 26 -7.927 -9.802 -6.874 1.00 1.42 C ATOM 395 CE LYS A 26 -8.755 -9.771 -8.149 1.00 1.61 C ATOM 396 NZ LYS A 26 -9.640 -8.579 -8.207 1.00 2.20 N ATOM 0 H LYS A 26 -9.815 -8.006 -2.757 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.062 -10.838 -2.986 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -7.639 -8.575 -4.416 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -7.133 -10.252 -4.362 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -9.258 -10.872 -5.569 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -9.624 -9.165 -5.719 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -7.305 -8.908 -6.822 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -7.253 -10.658 -6.898 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -8.091 -9.772 -9.013 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -9.360 -10.676 -8.211 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -9.625 -8.182 -9.168 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -10.612 -8.856 -7.962 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -9.304 -7.864 -7.531 1.00 2.20 H new ATOM 410 N LEU A 27 -7.176 -10.333 -1.324 1.00 0.67 N ATOM 411 CA LEU A 27 -6.279 -10.027 -0.229 1.00 0.65 C ATOM 412 C LEU A 27 -5.038 -9.342 -0.784 1.00 0.67 C ATOM 413 O LEU A 27 -4.041 -9.981 -1.126 1.00 1.02 O ATOM 414 CB LEU A 27 -5.934 -11.296 0.556 1.00 0.76 C ATOM 415 CG LEU A 27 -5.095 -11.091 1.820 1.00 0.93 C ATOM 416 CD1 LEU A 27 -5.660 -9.975 2.685 1.00 1.31 C ATOM 417 CD2 LEU A 27 -5.031 -12.385 2.607 1.00 1.23 C ATOM 0 H LEU A 27 -7.211 -11.318 -1.588 1.00 0.67 H new ATOM 0 HA LEU A 27 -6.764 -9.347 0.472 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -6.864 -11.791 0.836 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -5.398 -11.976 -0.106 1.00 0.76 H new ATOM 0 HG LEU A 27 -4.089 -10.800 1.519 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.041 -9.855 3.574 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -5.666 -9.044 2.119 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -6.678 -10.225 2.983 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -4.433 -12.235 3.506 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -6.039 -12.690 2.888 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -4.575 -13.162 1.993 1.00 1.23 H new ATOM 429 N ARG A 28 -5.144 -8.029 -0.897 1.00 0.57 N ATOM 430 CA ARG A 28 -4.085 -7.198 -1.431 1.00 0.59 C ATOM 431 C ARG A 28 -3.133 -6.762 -0.338 1.00 0.55 C ATOM 432 O ARG A 28 -3.468 -5.924 0.500 1.00 0.64 O ATOM 433 CB ARG A 28 -4.678 -5.957 -2.104 1.00 0.71 C ATOM 434 CG ARG A 28 -5.340 -6.227 -3.439 1.00 1.41 C ATOM 435 CD ARG A 28 -4.306 -6.398 -4.534 1.00 1.72 C ATOM 436 NE ARG A 28 -4.917 -6.503 -5.853 1.00 1.97 N ATOM 437 CZ ARG A 28 -4.236 -6.408 -6.989 1.00 2.42 C ATOM 438 NH1 ARG A 28 -2.964 -6.030 -6.966 1.00 2.77 N ATOM 439 NH2 ARG A 28 -4.868 -6.530 -8.146 1.00 3.18 N ATOM 0 H ARG A 28 -5.975 -7.508 -0.618 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.534 -7.788 -2.164 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -5.411 -5.509 -1.433 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.886 -5.222 -2.247 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -5.953 -7.125 -3.370 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -6.008 -5.404 -3.691 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -3.620 -5.551 -4.519 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -3.714 -7.292 -4.337 1.00 1.72 H new ATOM 0 HE ARG A 28 -5.924 -6.658 -5.906 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -2.512 -5.813 -6.077 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -2.438 -5.956 -7.837 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -5.874 -6.696 -8.162 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -4.349 -6.458 -9.021 1.00 3.18 H new ATOM 453 N TYR A 29 -1.937 -7.318 -0.368 1.00 0.55 N ATOM 454 CA TYR A 29 -0.920 -6.963 0.597 1.00 0.59 C ATOM 455 C TYR A 29 -0.367 -5.588 0.235 1.00 0.55 C ATOM 456 O TYR A 29 0.261 -5.413 -0.809 1.00 0.70 O ATOM 457 CB TYR A 29 0.195 -8.011 0.633 1.00 0.71 C ATOM 458 CG TYR A 29 -0.187 -9.312 1.315 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.162 -10.145 0.781 1.00 1.38 C ATOM 460 CD2 TYR A 29 0.434 -9.707 2.498 1.00 1.46 C ATOM 461 CE1 TYR A 29 -1.508 -11.330 1.402 1.00 1.55 C ATOM 462 CE2 TYR A 29 0.093 -10.893 3.123 1.00 1.63 C ATOM 463 CZ TYR A 29 -0.880 -11.698 2.572 1.00 1.26 C ATOM 464 OH TYR A 29 -1.225 -12.879 3.191 1.00 1.58 O ATOM 0 H TYR A 29 -1.648 -8.018 -1.052 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.359 -6.930 1.594 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.505 -8.229 -0.389 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.059 -7.587 1.145 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -1.658 -9.862 -0.135 1.00 1.38 H new ATOM 0 HD2 TYR A 29 1.195 -9.077 2.934 1.00 1.46 H new ATOM 0 HE1 TYR A 29 -2.268 -11.965 0.972 1.00 1.55 H new ATOM 0 HE2 TYR A 29 0.587 -11.186 4.038 1.00 1.63 H new ATOM 0 HH TYR A 29 -1.958 -13.304 2.699 1.00 1.58 H new ATOM 474 N VAL A 30 -0.660 -4.618 1.079 1.00 0.48 N ATOM 475 CA VAL A 30 -0.250 -3.242 0.852 1.00 0.48 C ATOM 476 C VAL A 30 1.072 -2.927 1.532 1.00 0.49 C ATOM 477 O VAL A 30 1.137 -2.786 2.754 1.00 0.59 O ATOM 478 CB VAL A 30 -1.319 -2.250 1.358 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.997 -0.834 0.903 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.694 -2.666 0.876 1.00 0.65 C ATOM 0 H VAL A 30 -1.188 -4.759 1.940 1.00 0.48 H new ATOM 0 HA VAL A 30 -0.129 -3.130 -0.225 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.315 -2.265 2.448 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.763 -0.151 1.270 1.00 0.60 H new ATOM 0 HG12 VAL A 30 -0.026 -0.537 1.298 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.972 -0.799 -0.186 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.437 -1.957 1.241 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.709 -2.679 -0.214 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.926 -3.662 1.254 1.00 0.65 H new ATOM 490 N PHE A 31 2.122 -2.790 0.738 1.00 0.49 N ATOM 491 CA PHE A 31 3.431 -2.454 1.273 1.00 0.54 C ATOM 492 C PHE A 31 3.900 -1.147 0.664 1.00 0.52 C ATOM 493 O PHE A 31 4.182 -1.093 -0.524 1.00 0.56 O ATOM 494 CB PHE A 31 4.492 -3.514 0.951 1.00 0.61 C ATOM 495 CG PHE A 31 4.074 -4.942 1.100 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.248 -5.610 2.301 1.00 1.44 C ATOM 497 CD2 PHE A 31 3.535 -5.627 0.026 1.00 1.22 C ATOM 498 CE1 PHE A 31 3.891 -6.938 2.427 1.00 1.49 C ATOM 499 CE2 PHE A 31 3.185 -6.953 0.144 1.00 1.30 C ATOM 500 CZ PHE A 31 3.362 -7.611 1.346 1.00 0.85 C ATOM 0 H PHE A 31 2.094 -2.906 -0.275 1.00 0.49 H new ATOM 0 HA PHE A 31 3.320 -2.387 2.355 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.826 -3.362 -0.075 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.354 -3.341 1.596 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.667 -5.087 3.148 1.00 1.44 H new ATOM 0 HD2 PHE A 31 3.387 -5.117 -0.914 1.00 1.22 H new ATOM 0 HE1 PHE A 31 4.026 -7.448 3.369 1.00 1.49 H new ATOM 0 HE2 PHE A 31 2.772 -7.479 -0.704 1.00 1.30 H new ATOM 0 HZ PHE A 31 3.086 -8.651 1.439 1.00 0.85 H new ATOM 510 N LEU A 32 4.034 -0.108 1.457 1.00 0.57 N ATOM 511 CA LEU A 32 4.526 1.144 0.921 1.00 0.59 C ATOM 512 C LEU A 32 6.009 1.198 1.191 1.00 0.67 C ATOM 513 O LEU A 32 6.434 1.342 2.328 1.00 0.84 O ATOM 514 CB LEU A 32 3.840 2.355 1.534 1.00 0.74 C ATOM 515 CG LEU A 32 2.446 2.117 2.129 1.00 0.98 C ATOM 516 CD1 LEU A 32 1.993 3.330 2.929 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.455 1.822 1.023 1.00 1.43 C ATOM 0 H LEU A 32 3.815 -0.101 2.453 1.00 0.57 H new ATOM 0 HA LEU A 32 4.310 1.180 -0.147 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.484 2.752 2.319 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.758 3.126 0.768 1.00 0.74 H new ATOM 0 HG LEU A 32 2.495 1.260 2.800 1.00 0.98 H new ATOM 0 HD11 LEU A 32 1.002 3.143 3.344 1.00 1.10 H new ATOM 0 HD12 LEU A 32 2.697 3.514 3.740 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.955 4.202 2.277 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.468 1.654 1.454 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.412 2.668 0.337 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.770 0.931 0.480 1.00 1.43 H new ATOM 529 N PHE A 33 6.789 1.017 0.149 1.00 0.75 N ATOM 530 CA PHE A 33 8.237 0.977 0.288 1.00 0.96 C ATOM 531 C PHE A 33 8.923 2.227 -0.254 1.00 1.08 C ATOM 532 O PHE A 33 9.994 2.132 -0.856 1.00 1.56 O ATOM 533 CB PHE A 33 8.806 -0.277 -0.400 1.00 1.17 C ATOM 534 CG PHE A 33 8.548 -1.565 0.343 1.00 1.36 C ATOM 535 CD1 PHE A 33 7.806 -1.568 1.512 1.00 2.01 C ATOM 536 CD2 PHE A 33 9.046 -2.772 -0.129 1.00 1.79 C ATOM 537 CE1 PHE A 33 7.563 -2.739 2.198 1.00 2.28 C ATOM 538 CE2 PHE A 33 8.804 -3.951 0.556 1.00 2.06 C ATOM 539 CZ PHE A 33 8.061 -3.933 1.719 1.00 2.01 C ATOM 0 H PHE A 33 6.450 0.895 -0.805 1.00 0.75 H new ATOM 0 HA PHE A 33 8.446 0.939 1.357 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.377 -0.355 -1.399 1.00 1.17 H new ATOM 0 HB3 PHE A 33 9.882 -0.152 -0.524 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.411 -0.638 1.893 1.00 2.01 H new ATOM 0 HD2 PHE A 33 9.628 -2.792 -1.039 1.00 1.79 H new ATOM 0 HE1 PHE A 33 6.984 -2.722 3.109 1.00 2.28 H new ATOM 0 HE2 PHE A 33 9.197 -4.884 0.180 1.00 2.06 H new ATOM 0 HZ PHE A 33 7.870 -4.852 2.253 1.00 2.01 H new ATOM 549 N ARG A 34 8.324 3.393 -0.001 1.00 1.04 N ATOM 550 CA ARG A 34 8.888 4.688 -0.414 1.00 1.17 C ATOM 551 C ARG A 34 8.910 4.886 -1.935 1.00 1.03 C ATOM 552 O ARG A 34 8.342 5.851 -2.445 1.00 1.87 O ATOM 553 CB ARG A 34 10.301 4.843 0.162 1.00 1.83 C ATOM 554 CG ARG A 34 11.048 6.076 -0.318 1.00 2.51 C ATOM 555 CD ARG A 34 12.480 6.064 0.184 1.00 3.05 C ATOM 556 NE ARG A 34 13.205 7.286 -0.157 1.00 3.66 N ATOM 557 CZ ARG A 34 14.520 7.419 -0.020 1.00 4.29 C ATOM 558 NH1 ARG A 34 15.281 6.333 -0.003 1.00 4.48 N ATOM 559 NH2 ARG A 34 15.091 8.593 -0.242 1.00 5.12 N ATOM 0 H ARG A 34 7.436 3.470 0.495 1.00 1.04 H new ATOM 0 HA ARG A 34 8.231 5.461 -0.015 1.00 1.17 H new ATOM 0 HB2 ARG A 34 10.234 4.875 1.249 1.00 1.83 H new ATOM 0 HB3 ARG A 34 10.883 3.958 -0.096 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.039 6.111 -1.407 1.00 2.51 H new ATOM 0 HG3 ARG A 34 10.541 6.975 0.034 1.00 2.51 H new ATOM 0 HD2 ARG A 34 12.481 5.936 1.266 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.002 5.206 -0.239 1.00 3.05 H new ATOM 0 HE ARG A 34 12.674 8.078 -0.519 1.00 3.66 H new ATOM 0 HH11 ARG A 34 14.855 5.411 -0.094 1.00 4.48 H new ATOM 0 HH12 ARG A 34 16.292 6.420 0.101 1.00 4.48 H new ATOM 0 HH21 ARG A 34 14.522 9.393 -0.518 1.00 5.12 H new ATOM 0 HH22 ARG A 34 16.100 8.697 -0.137 1.00 5.12 H new ATOM 573 N ASN A 35 9.583 3.990 -2.648 1.00 0.98 N ATOM 574 CA ASN A 35 9.693 4.086 -4.100 1.00 1.38 C ATOM 575 C ASN A 35 8.339 3.859 -4.757 1.00 1.09 C ATOM 576 O ASN A 35 8.058 4.407 -5.825 1.00 1.24 O ATOM 577 CB ASN A 35 10.718 3.076 -4.642 1.00 2.08 C ATOM 578 CG ASN A 35 12.066 3.177 -3.948 1.00 2.84 C ATOM 579 OD1 ASN A 35 12.610 4.269 -3.771 1.00 3.26 O ATOM 580 ND2 ASN A 35 12.625 2.037 -3.565 1.00 3.64 N ATOM 0 H ASN A 35 10.062 3.186 -2.243 1.00 0.98 H new ATOM 0 HA ASN A 35 10.037 5.091 -4.343 1.00 1.38 H new ATOM 0 HB2 ASN A 35 10.326 2.066 -4.520 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.852 3.239 -5.711 1.00 2.08 H new ATOM 0 HD21 ASN A 35 13.536 2.045 -3.107 1.00 3.64 H new ATOM 0 HD22 ASN A 35 12.144 1.153 -3.729 1.00 3.64 H new ATOM 587 N LYS A 36 7.505 3.057 -4.109 1.00 0.89 N ATOM 588 CA LYS A 36 6.176 2.757 -4.615 1.00 0.69 C ATOM 589 C LYS A 36 5.393 1.959 -3.584 1.00 0.66 C ATOM 590 O LYS A 36 5.935 1.559 -2.548 1.00 0.77 O ATOM 591 CB LYS A 36 6.260 1.944 -5.917 1.00 0.80 C ATOM 592 CG LYS A 36 6.752 0.515 -5.716 1.00 1.05 C ATOM 593 CD LYS A 36 6.602 -0.317 -6.982 1.00 1.32 C ATOM 594 CE LYS A 36 7.003 -1.768 -6.753 1.00 1.84 C ATOM 595 NZ LYS A 36 6.676 -2.629 -7.922 1.00 2.23 N ATOM 0 H LYS A 36 7.730 2.600 -3.225 1.00 0.89 H new ATOM 0 HA LYS A 36 5.670 3.701 -4.815 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.275 1.918 -6.383 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.927 2.454 -6.611 1.00 0.80 H new ATOM 0 HG2 LYS A 36 7.799 0.530 -5.413 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.192 0.048 -4.906 1.00 1.05 H new ATOM 0 HD2 LYS A 36 5.568 -0.275 -7.325 1.00 1.32 H new ATOM 0 HD3 LYS A 36 7.218 0.110 -7.773 1.00 1.32 H new ATOM 0 HE2 LYS A 36 8.073 -1.821 -6.552 1.00 1.84 H new ATOM 0 HE3 LYS A 36 6.493 -2.149 -5.868 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 6.919 -3.617 -7.704 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 5.659 -2.560 -8.130 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 7.221 -2.313 -8.749 1.00 2.23 H new ATOM 609 N ILE A 37 4.139 1.695 -3.895 1.00 0.61 N ATOM 610 CA ILE A 37 3.286 0.903 -3.035 1.00 0.60 C ATOM 611 C ILE A 37 3.250 -0.513 -3.597 1.00 0.54 C ATOM 612 O ILE A 37 2.459 -0.821 -4.496 1.00 0.75 O ATOM 613 CB ILE A 37 1.854 1.475 -2.962 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.889 2.906 -2.425 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.970 0.594 -2.084 1.00 0.79 C ATOM 616 CD1 ILE A 37 0.539 3.594 -2.409 1.00 1.01 C ATOM 0 H ILE A 37 3.685 2.023 -4.748 1.00 0.61 H new ATOM 0 HA ILE A 37 3.687 0.916 -2.021 1.00 0.60 H new ATOM 0 HB ILE A 37 1.430 1.489 -3.966 1.00 0.73 H new ATOM 0 HG12 ILE A 37 2.290 2.893 -1.412 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.577 3.494 -3.032 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.036 1.013 -2.044 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.928 -0.412 -2.503 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.385 0.551 -1.077 1.00 0.79 H new ATOM 0 HD11 ILE A 37 0.650 4.604 -2.015 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.143 3.642 -3.423 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.149 3.031 -1.777 1.00 1.01 H new ATOM 628 N MET A 38 4.134 -1.357 -3.094 1.00 0.51 N ATOM 629 CA MET A 38 4.225 -2.729 -3.557 1.00 0.59 C ATOM 630 C MET A 38 2.974 -3.497 -3.178 1.00 0.60 C ATOM 631 O MET A 38 2.604 -3.580 -2.009 1.00 0.98 O ATOM 632 CB MET A 38 5.475 -3.410 -2.989 1.00 0.75 C ATOM 633 CG MET A 38 5.806 -4.739 -3.658 1.00 1.40 C ATOM 634 SD MET A 38 7.348 -5.459 -3.062 1.00 1.72 S ATOM 635 CE MET A 38 6.864 -5.988 -1.421 1.00 2.53 C ATOM 0 H MET A 38 4.801 -1.114 -2.362 1.00 0.51 H new ATOM 0 HA MET A 38 4.309 -2.723 -4.644 1.00 0.59 H new ATOM 0 HB2 MET A 38 6.326 -2.737 -3.097 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.334 -3.576 -1.921 1.00 0.75 H new ATOM 0 HG2 MET A 38 4.991 -5.441 -3.482 1.00 1.40 H new ATOM 0 HG3 MET A 38 5.873 -4.591 -4.736 1.00 1.40 H new ATOM 0 HE1 MET A 38 7.704 -6.486 -0.937 1.00 2.53 H new ATOM 0 HE2 MET A 38 6.568 -5.120 -0.831 1.00 2.53 H new ATOM 0 HE3 MET A 38 6.025 -6.680 -1.494 1.00 2.53 H new ATOM 645 N PHE A 39 2.319 -4.032 -4.185 1.00 0.61 N ATOM 646 CA PHE A 39 1.094 -4.782 -3.998 1.00 0.71 C ATOM 647 C PHE A 39 1.300 -6.251 -4.329 1.00 0.72 C ATOM 648 O PHE A 39 1.977 -6.588 -5.304 1.00 1.08 O ATOM 649 CB PHE A 39 0.019 -4.220 -4.914 1.00 1.11 C ATOM 650 CG PHE A 39 -1.134 -3.563 -4.222 1.00 0.58 C ATOM 651 CD1 PHE A 39 -1.044 -3.161 -2.902 1.00 1.32 C ATOM 652 CD2 PHE A 39 -2.310 -3.333 -4.912 1.00 1.31 C ATOM 653 CE1 PHE A 39 -2.115 -2.550 -2.282 1.00 1.66 C ATOM 654 CE2 PHE A 39 -3.382 -2.723 -4.299 1.00 1.69 C ATOM 655 CZ PHE A 39 -3.285 -2.330 -2.981 1.00 1.57 C ATOM 0 H PHE A 39 2.620 -3.960 -5.157 1.00 0.61 H new ATOM 0 HA PHE A 39 0.793 -4.695 -2.954 1.00 0.71 H new ATOM 0 HB2 PHE A 39 0.480 -3.495 -5.585 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.365 -5.029 -5.535 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -0.129 -3.326 -2.352 1.00 1.32 H new ATOM 0 HD2 PHE A 39 -2.389 -3.636 -5.946 1.00 1.31 H new ATOM 0 HE1 PHE A 39 -2.038 -2.244 -1.249 1.00 1.66 H new ATOM 0 HE2 PHE A 39 -4.296 -2.553 -4.849 1.00 1.69 H new ATOM 0 HZ PHE A 39 -4.123 -1.851 -2.496 1.00 1.57 H new ATOM 665 N THR A 40 0.687 -7.117 -3.543 1.00 0.63 N ATOM 666 CA THR A 40 0.763 -8.549 -3.776 1.00 0.74 C ATOM 667 C THR A 40 -0.630 -9.148 -3.620 1.00 0.84 C ATOM 668 O THR A 40 -1.336 -8.851 -2.655 1.00 1.16 O ATOM 669 CB THR A 40 1.755 -9.222 -2.829 1.00 0.98 C ATOM 670 OG1 THR A 40 2.960 -8.476 -2.757 1.00 1.45 O ATOM 671 CG2 THR A 40 2.116 -10.622 -3.273 1.00 1.35 C ATOM 0 H THR A 40 0.127 -6.852 -2.732 1.00 0.63 H new ATOM 0 HA THR A 40 1.126 -8.724 -4.789 1.00 0.74 H new ATOM 0 HB THR A 40 1.262 -9.268 -1.858 1.00 0.98 H new ATOM 0 HG1 THR A 40 3.584 -8.920 -2.145 1.00 1.45 H new ATOM 0 HG21 THR A 40 2.823 -11.057 -2.567 1.00 1.35 H new ATOM 0 HG22 THR A 40 1.216 -11.236 -3.309 1.00 1.35 H new ATOM 0 HG23 THR A 40 2.569 -10.584 -4.264 1.00 1.35 H new ATOM 679 N GLU A 41 -1.030 -9.946 -4.594 1.00 1.04 N ATOM 680 CA GLU A 41 -2.354 -10.552 -4.600 1.00 1.27 C ATOM 681 C GLU A 41 -2.370 -11.885 -3.859 1.00 1.20 C ATOM 682 O GLU A 41 -1.338 -12.539 -3.713 1.00 1.66 O ATOM 683 CB GLU A 41 -2.829 -10.769 -6.039 1.00 1.89 C ATOM 684 CG GLU A 41 -2.854 -9.509 -6.893 1.00 2.55 C ATOM 685 CD GLU A 41 -1.485 -9.094 -7.397 1.00 3.05 C ATOM 686 OE1 GLU A 41 -0.786 -9.943 -7.990 1.00 3.56 O ATOM 687 OE2 GLU A 41 -1.113 -7.914 -7.218 1.00 3.46 O ATOM 0 H GLU A 41 -0.453 -10.192 -5.398 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.027 -9.866 -4.085 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -2.179 -11.503 -6.516 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.831 -11.197 -6.017 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -3.513 -9.670 -7.746 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -3.281 -8.693 -6.310 1.00 2.55 H new ATOM 694 N GLN A 42 -3.555 -12.285 -3.420 1.00 1.08 N ATOM 695 CA GLN A 42 -3.740 -13.544 -2.721 1.00 1.24 C ATOM 696 C GLN A 42 -5.226 -13.851 -2.592 1.00 1.37 C ATOM 697 O GLN A 42 -6.009 -13.021 -2.129 1.00 1.84 O ATOM 698 CB GLN A 42 -3.086 -13.526 -1.332 1.00 1.58 C ATOM 699 CG GLN A 42 -2.972 -14.912 -0.713 1.00 2.34 C ATOM 700 CD GLN A 42 -2.326 -14.912 0.659 1.00 2.87 C ATOM 701 OE1 GLN A 42 -2.840 -14.321 1.606 1.00 3.26 O ATOM 702 NE2 GLN A 42 -1.191 -15.580 0.779 1.00 3.46 N ATOM 0 H GLN A 42 -4.412 -11.745 -3.539 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.253 -14.324 -3.306 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -2.092 -13.085 -1.410 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -3.668 -12.885 -0.670 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -3.967 -15.350 -0.637 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -2.392 -15.552 -1.379 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -0.793 -16.059 -0.029 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -0.713 -15.616 1.680 1.00 3.46 H new ATOM 711 N ASP A 43 -5.608 -15.045 -3.008 1.00 1.32 N ATOM 712 CA ASP A 43 -6.996 -15.478 -2.940 1.00 1.60 C ATOM 713 C ASP A 43 -7.166 -16.494 -1.827 1.00 1.62 C ATOM 714 O ASP A 43 -6.794 -17.655 -1.981 1.00 1.97 O ATOM 715 CB ASP A 43 -7.451 -16.097 -4.264 1.00 2.08 C ATOM 716 CG ASP A 43 -7.617 -15.076 -5.373 1.00 2.50 C ATOM 717 OD1 ASP A 43 -6.602 -14.537 -5.850 1.00 2.96 O ATOM 718 OD2 ASP A 43 -8.771 -14.805 -5.764 1.00 2.87 O ATOM 0 H ASP A 43 -4.972 -15.739 -3.400 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.611 -14.601 -2.739 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.725 -16.848 -4.575 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -8.398 -16.614 -4.110 1.00 2.08 H new ATOM 723 N ALA A 44 -7.715 -16.057 -0.707 1.00 1.87 N ATOM 724 CA ALA A 44 -7.914 -16.941 0.433 1.00 2.28 C ATOM 725 C ALA A 44 -9.221 -17.722 0.325 1.00 2.75 C ATOM 726 O ALA A 44 -9.709 -18.271 1.313 1.00 3.39 O ATOM 727 CB ALA A 44 -7.873 -16.146 1.725 1.00 2.82 C ATOM 0 H ALA A 44 -8.031 -15.098 -0.561 1.00 1.87 H new ATOM 0 HA ALA A 44 -7.101 -17.668 0.436 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -8.023 -16.818 2.570 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -6.905 -15.655 1.819 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -8.662 -15.394 1.715 1.00 2.82 H new ATOM 861 N TYR A 54 1.456 -9.175 -9.627 1.00 2.10 N ATOM 862 CA TYR A 54 1.984 -7.997 -8.933 1.00 2.00 C ATOM 863 C TYR A 54 1.434 -6.703 -9.517 1.00 1.62 C ATOM 864 O TYR A 54 2.126 -5.986 -10.246 1.00 1.96 O ATOM 865 CB TYR A 54 3.521 -7.964 -8.961 1.00 2.78 C ATOM 866 CG TYR A 54 4.192 -9.049 -8.146 1.00 3.45 C ATOM 867 CD1 TYR A 54 4.180 -10.372 -8.567 1.00 3.89 C ATOM 868 CD2 TYR A 54 4.847 -8.747 -6.957 1.00 4.24 C ATOM 869 CE1 TYR A 54 4.797 -11.363 -7.828 1.00 4.87 C ATOM 870 CE2 TYR A 54 5.466 -9.732 -6.212 1.00 5.15 C ATOM 871 CZ TYR A 54 5.439 -11.038 -6.653 1.00 5.40 C ATOM 872 OH TYR A 54 6.060 -12.025 -5.913 1.00 6.50 O ATOM 0 HA TYR A 54 1.655 -8.077 -7.897 1.00 2.00 H new ATOM 0 HB2 TYR A 54 3.854 -8.047 -9.996 1.00 2.78 H new ATOM 0 HB3 TYR A 54 3.857 -6.994 -8.595 1.00 2.78 H new ATOM 0 HD1 TYR A 54 3.680 -10.631 -9.488 1.00 3.89 H new ATOM 0 HD2 TYR A 54 4.872 -7.725 -6.610 1.00 4.24 H new ATOM 0 HE1 TYR A 54 4.776 -12.387 -8.170 1.00 4.87 H new ATOM 0 HE2 TYR A 54 5.968 -9.480 -5.290 1.00 5.15 H new ATOM 0 HH TYR A 54 6.466 -11.628 -5.114 1.00 6.50 H new ATOM 882 N SER A 55 0.201 -6.390 -9.167 1.00 1.34 N ATOM 883 CA SER A 55 -0.423 -5.158 -9.632 1.00 1.50 C ATOM 884 C SER A 55 -0.151 -4.053 -8.619 1.00 1.20 C ATOM 885 O SER A 55 -1.016 -3.698 -7.818 1.00 1.33 O ATOM 886 CB SER A 55 -1.925 -5.353 -9.821 1.00 2.13 C ATOM 887 OG SER A 55 -2.191 -6.544 -10.538 1.00 2.61 O ATOM 0 H SER A 55 -0.389 -6.966 -8.566 1.00 1.34 H new ATOM 0 HA SER A 55 0.000 -4.880 -10.597 1.00 1.50 H new ATOM 0 HB2 SER A 55 -2.416 -5.391 -8.849 1.00 2.13 H new ATOM 0 HB3 SER A 55 -2.343 -4.500 -10.356 1.00 2.13 H new ATOM 0 HG SER A 55 -3.159 -6.651 -10.647 1.00 2.61 H new ATOM 893 N SER A 56 1.077 -3.556 -8.635 1.00 1.07 N ATOM 894 CA SER A 56 1.514 -2.534 -7.699 1.00 0.91 C ATOM 895 C SER A 56 1.079 -1.125 -8.085 1.00 0.80 C ATOM 896 O SER A 56 0.714 -0.846 -9.232 1.00 0.93 O ATOM 897 CB SER A 56 3.035 -2.583 -7.583 1.00 1.09 C ATOM 898 OG SER A 56 3.637 -2.723 -8.861 1.00 1.73 O ATOM 0 H SER A 56 1.796 -3.850 -9.296 1.00 1.07 H new ATOM 0 HA SER A 56 1.037 -2.754 -6.744 1.00 0.91 H new ATOM 0 HB2 SER A 56 3.397 -1.673 -7.104 1.00 1.09 H new ATOM 0 HB3 SER A 56 3.328 -3.417 -6.945 1.00 1.09 H new ATOM 0 HG SER A 56 4.029 -3.617 -8.942 1.00 1.73 H new ATOM 904 N ILE A 57 1.167 -0.244 -7.100 1.00 0.68 N ATOM 905 CA ILE A 57 0.838 1.164 -7.244 1.00 0.67 C ATOM 906 C ILE A 57 2.132 1.977 -7.169 1.00 0.63 C ATOM 907 O ILE A 57 3.095 1.539 -6.540 1.00 0.81 O ATOM 908 CB ILE A 57 -0.141 1.589 -6.116 1.00 0.76 C ATOM 909 CG1 ILE A 57 -1.549 1.064 -6.407 1.00 0.92 C ATOM 910 CG2 ILE A 57 -0.168 3.103 -5.915 1.00 0.82 C ATOM 911 CD1 ILE A 57 -2.232 1.754 -7.572 1.00 0.81 C ATOM 0 H ILE A 57 1.475 -0.494 -6.160 1.00 0.68 H new ATOM 0 HA ILE A 57 0.353 1.344 -8.204 1.00 0.67 H new ATOM 0 HB ILE A 57 0.222 1.146 -5.188 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -1.493 -0.005 -6.613 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -2.163 1.185 -5.515 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.867 3.352 -5.116 1.00 0.82 H new ATOM 0 HG22 ILE A 57 0.829 3.452 -5.647 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.486 3.587 -6.839 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -3.225 1.328 -7.716 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.322 2.820 -7.362 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -1.641 1.611 -8.477 1.00 0.81 H new ATOM 923 N ARG A 58 2.161 3.157 -7.777 1.00 0.66 N ATOM 924 CA ARG A 58 3.346 3.998 -7.727 1.00 0.73 C ATOM 925 C ARG A 58 3.166 5.046 -6.639 1.00 0.75 C ATOM 926 O ARG A 58 2.042 5.458 -6.352 1.00 0.91 O ATOM 927 CB ARG A 58 3.592 4.678 -9.079 1.00 0.96 C ATOM 928 CG ARG A 58 2.611 5.795 -9.398 1.00 1.24 C ATOM 929 CD ARG A 58 2.879 6.402 -10.764 1.00 1.86 C ATOM 930 NE ARG A 58 4.235 6.942 -10.874 1.00 2.47 N ATOM 931 CZ ARG A 58 4.712 7.530 -11.971 1.00 2.95 C ATOM 932 NH1 ARG A 58 4.083 7.368 -13.125 1.00 3.22 N ATOM 933 NH2 ARG A 58 5.949 7.999 -11.973 1.00 3.70 N ATOM 0 H ARG A 58 1.382 3.549 -8.306 1.00 0.66 H new ATOM 0 HA ARG A 58 4.213 3.377 -7.502 1.00 0.73 H new ATOM 0 HB2 ARG A 58 4.604 5.083 -9.092 1.00 0.96 H new ATOM 0 HB3 ARG A 58 3.540 3.927 -9.867 1.00 0.96 H new ATOM 0 HG2 ARG A 58 1.593 5.406 -9.365 1.00 1.24 H new ATOM 0 HG3 ARG A 58 2.681 6.570 -8.635 1.00 1.24 H new ATOM 0 HD2 ARG A 58 2.729 5.644 -11.532 1.00 1.86 H new ATOM 0 HD3 ARG A 58 2.157 7.196 -10.954 1.00 1.86 H new ATOM 0 HE ARG A 58 4.850 6.864 -10.064 1.00 2.47 H new ATOM 0 HH11 ARG A 58 3.239 6.796 -13.170 1.00 3.22 H new ATOM 0 HH12 ARG A 58 4.442 7.815 -13.969 1.00 3.22 H new ATOM 0 HH21 ARG A 58 6.530 7.909 -11.139 1.00 3.70 H new ATOM 0 HH22 ARG A 58 6.322 8.450 -12.808 1.00 3.70 H new ATOM 947 N LEU A 59 4.255 5.490 -6.047 1.00 0.85 N ATOM 948 CA LEU A 59 4.188 6.500 -5.006 1.00 1.02 C ATOM 949 C LEU A 59 4.704 7.812 -5.565 1.00 1.15 C ATOM 950 O LEU A 59 5.582 8.451 -4.987 1.00 1.59 O ATOM 951 CB LEU A 59 5.018 6.075 -3.794 1.00 1.28 C ATOM 952 CG LEU A 59 4.525 6.612 -2.451 1.00 1.35 C ATOM 953 CD1 LEU A 59 3.078 6.207 -2.225 1.00 1.35 C ATOM 954 CD2 LEU A 59 5.407 6.111 -1.321 1.00 1.79 C ATOM 0 H LEU A 59 5.198 5.169 -6.267 1.00 0.85 H new ATOM 0 HA LEU A 59 3.155 6.621 -4.680 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.035 4.986 -3.748 1.00 1.28 H new ATOM 0 HB3 LEU A 59 6.046 6.404 -3.944 1.00 1.28 H new ATOM 0 HG LEU A 59 4.581 7.700 -2.467 1.00 1.35 H new ATOM 0 HD11 LEU A 59 2.737 6.595 -1.265 1.00 1.35 H new ATOM 0 HD12 LEU A 59 2.457 6.615 -3.022 1.00 1.35 H new ATOM 0 HD13 LEU A 59 3.000 5.120 -2.225 1.00 1.35 H new ATOM 0 HD21 LEU A 59 5.041 6.503 -0.372 1.00 1.79 H new ATOM 0 HD22 LEU A 59 5.383 5.022 -1.296 1.00 1.79 H new ATOM 0 HD23 LEU A 59 6.431 6.448 -1.482 1.00 1.79 H new ATOM 966 N ASP A 60 4.163 8.198 -6.713 1.00 1.13 N ATOM 967 CA ASP A 60 4.578 9.418 -7.381 1.00 1.33 C ATOM 968 C ASP A 60 3.371 10.213 -7.883 1.00 1.33 C ATOM 969 O ASP A 60 3.039 11.264 -7.342 1.00 1.56 O ATOM 970 CB ASP A 60 5.498 9.067 -8.559 1.00 1.46 C ATOM 971 CG ASP A 60 5.955 10.281 -9.348 1.00 1.90 C ATOM 972 OD1 ASP A 60 5.810 11.412 -8.853 1.00 2.27 O ATOM 973 OD2 ASP A 60 6.474 10.102 -10.472 1.00 2.52 O ATOM 0 H ASP A 60 3.433 7.679 -7.200 1.00 1.13 H new ATOM 0 HA ASP A 60 5.115 10.039 -6.664 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.373 8.537 -8.182 1.00 1.46 H new ATOM 0 HB3 ASP A 60 4.975 8.384 -9.228 1.00 1.46 H new ATOM 978 N LYS A 61 2.725 9.708 -8.929 1.00 1.22 N ATOM 979 CA LYS A 61 1.576 10.389 -9.514 1.00 1.28 C ATOM 980 C LYS A 61 0.244 9.741 -9.150 1.00 1.06 C ATOM 981 O LYS A 61 -0.437 9.180 -10.009 1.00 1.27 O ATOM 982 CB LYS A 61 1.712 10.450 -11.034 1.00 1.60 C ATOM 983 CG LYS A 61 2.814 11.376 -11.515 1.00 1.93 C ATOM 984 CD LYS A 61 2.703 11.618 -13.008 1.00 2.55 C ATOM 985 CE LYS A 61 3.697 12.661 -13.492 1.00 3.16 C ATOM 986 NZ LYS A 61 3.490 12.994 -14.924 1.00 3.92 N ATOM 0 H LYS A 61 2.977 8.832 -9.388 1.00 1.22 H new ATOM 0 HA LYS A 61 1.572 11.395 -9.094 1.00 1.28 H new ATOM 0 HB2 LYS A 61 1.903 9.446 -11.413 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.764 10.777 -11.461 1.00 1.60 H new ATOM 0 HG2 LYS A 61 2.755 12.326 -10.983 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.787 10.941 -11.284 1.00 1.93 H new ATOM 0 HD2 LYS A 61 2.872 10.682 -13.540 1.00 2.55 H new ATOM 0 HD3 LYS A 61 1.691 11.943 -13.248 1.00 2.55 H new ATOM 0 HE2 LYS A 61 3.598 13.565 -12.890 1.00 3.16 H new ATOM 0 HE3 LYS A 61 4.712 12.291 -13.347 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 3.645 14.012 -15.070 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 4.162 12.455 -15.506 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 2.518 12.749 -15.200 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.153 9.850 -7.891 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.433 9.306 -7.459 1.00 0.69 C ATOM 1002 C TYR A 62 -2.083 10.261 -6.459 1.00 0.67 C ATOM 1003 O TYR A 62 -1.390 10.893 -5.663 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.265 7.896 -6.859 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.965 7.871 -5.376 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.253 8.317 -4.878 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -1.919 7.420 -4.474 1.00 1.46 C ATOM 1008 CE1 TYR A 62 0.508 8.313 -3.518 1.00 1.84 C ATOM 1009 CE2 TYR A 62 -1.669 7.408 -3.120 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.457 7.857 -2.644 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.222 7.868 -1.288 1.00 2.21 O ATOM 0 H TYR A 62 0.387 10.306 -7.156 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.086 9.209 -8.326 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.177 7.328 -7.041 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.460 7.385 -7.387 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.011 8.671 -5.561 1.00 1.49 H new ATOM 0 HD2 TYR A 62 -2.874 7.073 -4.841 1.00 1.46 H new ATOM 0 HE1 TYR A 62 1.458 8.665 -3.143 1.00 1.84 H new ATOM 0 HE2 TYR A 62 -2.421 7.048 -2.433 1.00 1.79 H new ATOM 0 HH TYR A 62 0.741 7.799 -1.122 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.403 10.360 -6.497 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.123 11.224 -5.573 1.00 0.73 C ATOM 1023 C ASN A 63 -4.722 10.360 -4.489 1.00 0.64 C ATOM 1024 O ASN A 63 -5.467 9.427 -4.770 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.211 12.021 -6.289 1.00 0.89 C ATOM 1026 CG ASN A 63 -5.846 13.082 -5.405 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -5.153 13.841 -4.727 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -7.168 13.172 -5.435 1.00 2.13 N ATOM 0 H ASN A 63 -3.996 9.855 -7.155 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.432 11.947 -5.139 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -4.784 12.498 -7.171 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -5.984 11.337 -6.640 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -7.643 13.887 -4.885 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -7.710 12.526 -6.008 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.359 10.631 -3.261 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.833 9.821 -2.157 1.00 0.70 C ATOM 1037 C ILE A 64 -5.951 10.489 -1.359 1.00 0.79 C ATOM 1038 O ILE A 64 -5.810 11.599 -0.838 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.672 9.414 -1.224 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.166 8.419 -0.178 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.037 10.624 -0.559 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.610 7.110 -0.782 1.00 1.18 C ATOM 0 H ILE A 64 -3.742 11.399 -2.997 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.259 8.923 -2.604 1.00 0.70 H new ATOM 0 HB ILE A 64 -2.902 8.937 -1.831 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -3.370 8.230 0.542 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -4.997 8.860 0.373 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.224 10.298 0.090 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.644 11.295 -1.323 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.786 11.148 0.034 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.951 6.442 0.009 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -5.426 7.290 -1.482 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -3.774 6.651 -1.310 1.00 1.18 H new ATOM 1054 N ARG A 65 -7.061 9.780 -1.259 1.00 0.69 N ATOM 1055 CA ARG A 65 -8.226 10.235 -0.517 1.00 0.80 C ATOM 1056 C ARG A 65 -8.383 9.351 0.716 1.00 0.68 C ATOM 1057 O ARG A 65 -7.618 8.402 0.889 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.488 10.142 -1.383 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.258 10.494 -2.842 1.00 1.24 C ATOM 1060 CD ARG A 65 -8.835 11.946 -3.019 1.00 1.78 C ATOM 1061 NE ARG A 65 -9.963 12.878 -2.959 1.00 2.20 N ATOM 1062 CZ ARG A 65 -10.935 12.935 -3.873 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -10.945 12.088 -4.894 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -11.904 13.832 -3.755 1.00 3.57 N ATOM 0 H ARG A 65 -7.182 8.865 -1.693 1.00 0.69 H new ATOM 0 HA ARG A 65 -8.090 11.276 -0.226 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.885 9.129 -1.322 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -10.248 10.808 -0.974 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.491 9.840 -3.256 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -10.172 10.311 -3.407 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -8.113 12.206 -2.245 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -8.328 12.058 -3.978 1.00 1.78 H new ATOM 0 HE ARG A 65 -10.009 13.523 -2.170 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -10.208 11.389 -4.984 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -11.690 12.136 -5.589 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -11.907 14.479 -2.966 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -12.646 13.876 -4.453 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.388 9.611 1.537 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.622 8.788 2.715 1.00 0.83 C ATOM 1080 C GLN A 66 -10.990 9.082 3.310 1.00 0.99 C ATOM 1081 O GLN A 66 -11.543 10.160 3.107 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.524 8.985 3.777 1.00 0.97 C ATOM 1083 CG GLN A 66 -8.589 10.306 4.538 1.00 1.30 C ATOM 1084 CD GLN A 66 -7.969 11.467 3.784 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -8.534 11.984 2.821 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -6.794 11.887 4.223 1.00 2.45 N ATOM 0 H GLN A 66 -10.049 10.377 1.413 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.591 7.746 2.396 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -8.583 8.167 4.495 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.552 8.912 3.290 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -9.631 10.540 4.757 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -8.080 10.191 5.495 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -6.357 11.433 5.025 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -6.325 12.665 3.760 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.516 8.126 4.057 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.809 8.279 4.713 1.00 1.14 C ATOM 1097 C HIS A 67 -12.653 7.906 6.176 1.00 1.30 C ATOM 1098 O HIS A 67 -11.841 7.044 6.508 1.00 1.32 O ATOM 1099 CB HIS A 67 -13.905 7.389 4.100 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.254 7.643 2.656 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -15.429 7.192 2.091 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.579 8.258 1.653 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -15.460 7.516 0.812 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -14.351 8.164 0.523 1.00 1.61 N ATOM 0 H HIS A 67 -11.065 7.227 4.227 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.119 9.316 4.584 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -13.593 6.349 4.197 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -14.811 7.506 4.695 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -12.612 8.734 1.730 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -16.258 7.289 0.121 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -14.105 8.536 -0.394 1.00 1.61 H new ATOM 1113 N THR A 68 -13.423 8.542 7.042 1.00 1.74 N ATOM 1114 CA THR A 68 -13.362 8.254 8.464 1.00 2.04 C ATOM 1115 C THR A 68 -14.774 8.223 9.050 1.00 1.92 C ATOM 1116 O THR A 68 -15.613 7.447 8.593 1.00 2.16 O ATOM 1117 CB THR A 68 -12.493 9.296 9.176 1.00 2.74 C ATOM 1118 OG1 THR A 68 -11.570 9.881 8.270 1.00 3.12 O ATOM 1119 CG2 THR A 68 -11.695 8.714 10.326 1.00 3.23 C ATOM 0 H THR A 68 -14.098 9.262 6.785 1.00 1.74 H new ATOM 0 HA THR A 68 -12.907 7.275 8.614 1.00 2.04 H new ATOM 0 HB THR A 68 -13.188 10.039 9.568 1.00 2.74 H new ATOM 0 HG1 THR A 68 -11.025 10.545 8.742 1.00 3.12 H new ATOM 0 HG21 THR A 68 -11.100 9.500 10.790 1.00 3.23 H new ATOM 0 HG22 THR A 68 -12.376 8.291 11.064 1.00 3.23 H new ATOM 0 HG23 THR A 68 -11.034 7.932 9.951 1.00 3.23 H new ATOM 1127 N THR A 69 -15.024 9.050 10.066 1.00 2.34 N ATOM 1128 CA THR A 69 -16.322 9.116 10.722 1.00 2.58 C ATOM 1129 C THR A 69 -16.674 7.749 11.316 1.00 2.35 C ATOM 1130 O THR A 69 -17.587 7.058 10.863 1.00 2.76 O ATOM 1131 CB THR A 69 -17.390 9.624 9.746 1.00 3.11 C ATOM 1132 OG1 THR A 69 -16.956 10.832 9.137 1.00 3.61 O ATOM 1133 CG2 THR A 69 -18.727 9.905 10.399 1.00 3.69 C ATOM 0 H THR A 69 -14.331 9.690 10.454 1.00 2.34 H new ATOM 0 HA THR A 69 -16.281 9.830 11.545 1.00 2.58 H new ATOM 0 HB THR A 69 -17.525 8.823 9.019 1.00 3.11 H new ATOM 0 HG1 THR A 69 -17.643 11.149 8.514 1.00 3.61 H new ATOM 0 HG21 THR A 69 -19.432 10.261 9.647 1.00 3.69 H new ATOM 0 HG22 THR A 69 -19.110 8.990 10.852 1.00 3.69 H new ATOM 0 HG23 THR A 69 -18.603 10.667 11.169 1.00 3.69 H new ATOM 1141 N ASP A 70 -15.897 7.387 12.337 1.00 2.34 N ATOM 1142 CA ASP A 70 -16.053 6.116 13.057 1.00 2.43 C ATOM 1143 C ASP A 70 -15.756 4.914 12.164 1.00 2.17 C ATOM 1144 O ASP A 70 -16.115 3.782 12.491 1.00 2.45 O ATOM 1145 CB ASP A 70 -17.457 5.995 13.657 1.00 3.01 C ATOM 1146 CG ASP A 70 -17.548 6.573 15.052 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -17.193 7.759 15.240 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -17.986 5.844 15.970 1.00 3.96 O ATOM 0 H ASP A 70 -15.137 7.968 12.692 1.00 2.34 H new ATOM 0 HA ASP A 70 -15.323 6.117 13.867 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -18.170 6.506 13.009 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -17.747 4.945 13.684 1.00 3.01 H new ATOM 1153 N GLU A 71 -15.090 5.156 11.045 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.735 4.088 10.121 1.00 2.00 C ATOM 1155 C GLU A 71 -13.331 4.327 9.569 1.00 1.55 C ATOM 1156 O GLU A 71 -12.497 4.945 10.236 1.00 1.90 O ATOM 1157 CB GLU A 71 -15.750 3.991 8.976 1.00 2.69 C ATOM 1158 CG GLU A 71 -15.972 2.570 8.469 1.00 3.30 C ATOM 1159 CD GLU A 71 -16.649 2.524 7.115 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -17.807 2.970 7.010 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -16.027 2.026 6.150 1.00 4.50 O ATOM 0 H GLU A 71 -14.784 6.084 10.754 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.750 3.142 10.663 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -16.703 4.400 9.312 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -15.410 4.613 8.148 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -15.012 2.058 8.406 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -16.578 2.023 9.191 1.00 3.30 H new ATOM 1168 N ASP A 72 -13.076 3.837 8.363 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.779 3.982 7.720 1.00 1.10 C ATOM 1170 C ASP A 72 -11.911 3.653 6.245 1.00 0.90 C ATOM 1171 O ASP A 72 -12.787 2.884 5.870 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.754 3.034 8.349 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.912 1.604 7.857 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -11.994 1.006 8.070 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -9.962 1.079 7.245 1.00 2.64 O ATOM 0 H ASP A 72 -13.762 3.329 7.805 1.00 1.31 H new ATOM 0 HA ASP A 72 -11.440 5.009 7.851 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -9.748 3.386 8.119 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -10.859 3.056 9.434 1.00 1.58 H new ATOM 1180 N THR A 73 -11.027 4.216 5.439 1.00 0.74 N ATOM 1181 CA THR A 73 -10.987 3.997 3.985 1.00 0.65 C ATOM 1182 C THR A 73 -9.780 4.733 3.417 1.00 0.60 C ATOM 1183 O THR A 73 -9.499 5.861 3.817 1.00 0.79 O ATOM 1184 CB THR A 73 -12.250 4.524 3.265 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.441 3.928 3.737 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.227 4.305 1.767 1.00 0.94 C ATOM 0 H THR A 73 -10.301 4.850 5.772 1.00 0.74 H new ATOM 0 HA THR A 73 -10.930 2.921 3.819 1.00 0.65 H new ATOM 0 HB THR A 73 -12.237 5.591 3.488 1.00 0.79 H new ATOM 0 HG1 THR A 73 -13.226 3.280 4.440 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.143 4.699 1.328 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.368 4.820 1.337 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.153 3.238 1.556 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.111 4.128 2.451 1.00 0.53 N ATOM 1195 CA ILE A 74 -7.981 4.755 1.784 1.00 0.52 C ATOM 1196 C ILE A 74 -8.253 4.678 0.290 1.00 0.50 C ATOM 1197 O ILE A 74 -8.169 3.610 -0.312 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.640 4.066 2.123 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.395 4.061 3.637 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.490 4.767 1.417 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.243 5.444 4.236 1.00 0.99 C ATOM 0 H ILE A 74 -9.333 3.194 2.108 1.00 0.53 H new ATOM 0 HA ILE A 74 -7.883 5.786 2.123 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.695 3.034 1.776 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.224 3.552 4.128 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.495 3.483 3.848 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.553 4.270 1.666 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -5.646 4.727 0.339 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -5.445 5.807 1.739 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.073 5.359 5.309 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -5.396 5.950 3.773 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.151 6.020 4.057 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.649 5.795 -0.289 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.010 5.829 -1.698 1.00 0.45 C ATOM 1215 C VAL A 75 -7.873 6.346 -2.569 1.00 0.46 C ATOM 1216 O VAL A 75 -7.479 7.503 -2.464 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.253 6.717 -1.920 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -10.709 6.666 -3.373 1.00 1.19 C ATOM 1219 CG2 VAL A 75 -11.387 6.317 -0.983 1.00 0.61 C ATOM 0 H VAL A 75 -8.730 6.691 0.191 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.229 4.802 -1.989 1.00 0.45 H new ATOM 0 HB VAL A 75 -9.972 7.745 -1.690 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -11.586 7.300 -3.502 1.00 1.19 H new ATOM 0 HG12 VAL A 75 -9.906 7.022 -4.019 1.00 1.19 H new ATOM 0 HG13 VAL A 75 -10.961 5.640 -3.639 1.00 1.19 H new ATOM 0 HG21 VAL A 75 -12.250 6.959 -1.161 1.00 0.61 H new ATOM 0 HG22 VAL A 75 -11.663 5.279 -1.168 1.00 0.61 H new ATOM 0 HG23 VAL A 75 -11.060 6.427 0.051 1.00 0.61 H new ATOM 1229 N LEU A 76 -7.373 5.502 -3.452 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.312 5.905 -4.360 1.00 0.58 C ATOM 1231 C LEU A 76 -6.928 6.256 -5.705 1.00 0.59 C ATOM 1232 O LEU A 76 -7.472 5.392 -6.397 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.241 4.812 -4.512 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.404 4.535 -3.255 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.213 3.778 -2.210 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.140 3.766 -3.611 1.00 1.04 C ATOM 0 H LEU A 76 -7.682 4.536 -3.561 1.00 0.51 H new ATOM 0 HA LEU A 76 -5.806 6.778 -3.947 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -5.731 3.886 -4.814 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.568 5.096 -5.321 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.117 5.495 -2.827 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.594 3.597 -1.332 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -6.083 4.370 -1.925 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -5.542 2.825 -2.625 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -2.561 3.580 -2.707 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.410 2.816 -4.071 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.543 4.351 -4.310 1.00 1.04 H new ATOM 1248 N GLN A 77 -6.864 7.530 -6.050 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.432 8.020 -7.290 1.00 0.74 C ATOM 1250 C GLN A 77 -6.319 8.250 -8.310 1.00 0.78 C ATOM 1251 O GLN A 77 -5.315 8.904 -8.016 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.212 9.315 -7.029 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.110 9.738 -8.181 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.057 10.862 -7.808 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -9.635 11.987 -7.530 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -11.348 10.563 -7.779 1.00 2.03 N ATOM 0 H GLN A 77 -6.419 8.250 -5.480 1.00 0.62 H new ATOM 0 HA GLN A 77 -8.123 7.279 -7.694 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -8.822 9.186 -6.135 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -7.505 10.117 -6.819 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -8.491 10.055 -9.020 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.689 8.878 -8.518 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -11.659 9.621 -8.016 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -12.031 11.275 -7.520 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.476 7.697 -9.516 1.00 0.85 N ATOM 1266 CA PRO A 78 -5.491 7.818 -10.580 1.00 0.99 C ATOM 1267 C PRO A 78 -5.587 9.155 -11.304 1.00 1.02 C ATOM 1268 O PRO A 78 -6.474 9.356 -12.131 1.00 1.34 O ATOM 1269 CB PRO A 78 -5.844 6.677 -11.546 1.00 1.43 C ATOM 1270 CG PRO A 78 -7.012 5.959 -10.944 1.00 1.60 C ATOM 1271 CD PRO A 78 -7.622 6.894 -9.942 1.00 1.20 C ATOM 0 HA PRO A 78 -4.475 7.764 -10.189 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -6.094 7.067 -12.533 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.998 6.002 -11.675 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -7.737 5.687 -11.711 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -6.693 5.033 -10.465 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.405 7.509 -10.386 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -8.073 6.356 -9.108 1.00 1.20 H new ATOM 1279 N GLN A 79 -4.659 10.060 -11.015 1.00 1.17 N ATOM 1280 CA GLN A 79 -4.654 11.362 -11.674 1.00 1.56 C ATOM 1281 C GLN A 79 -4.176 11.211 -13.117 1.00 1.66 C ATOM 1282 O GLN A 79 -4.259 12.140 -13.916 1.00 2.02 O ATOM 1283 CB GLN A 79 -3.787 12.364 -10.908 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.346 11.927 -10.713 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.527 12.969 -9.977 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -1.291 14.063 -10.488 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -1.104 12.648 -8.764 1.00 3.46 N ATOM 0 H GLN A 79 -3.909 9.920 -10.338 1.00 1.17 H new ATOM 0 HA GLN A 79 -5.672 11.753 -11.683 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -3.796 13.315 -11.440 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.236 12.541 -9.930 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -2.324 10.990 -10.156 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.893 11.731 -11.685 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -1.320 11.730 -8.375 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -0.562 13.318 -8.219 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.716 10.008 -13.434 1.00 1.50 N ATOM 1297 CA GLU A 80 -3.259 9.663 -14.767 1.00 1.81 C ATOM 1298 C GLU A 80 -3.755 8.268 -15.122 1.00 1.62 C ATOM 1299 O GLU A 80 -3.806 7.387 -14.257 1.00 1.78 O ATOM 1300 CB GLU A 80 -1.734 9.733 -14.871 1.00 2.37 C ATOM 1301 CG GLU A 80 -1.244 11.070 -15.393 1.00 3.06 C ATOM 1302 CD GLU A 80 0.235 11.081 -15.707 1.00 3.86 C ATOM 1303 OE1 GLU A 80 0.733 10.096 -16.294 1.00 4.42 O ATOM 1304 OE2 GLU A 80 0.901 12.096 -15.411 1.00 4.35 O ATOM 0 H GLU A 80 -3.650 9.240 -12.766 1.00 1.50 H new ATOM 0 HA GLU A 80 -3.666 10.387 -15.473 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -1.298 9.549 -13.889 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -1.382 8.939 -15.530 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -1.802 11.328 -16.293 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -1.458 11.842 -14.654 1.00 3.06 H new ATOM 1311 N PRO A 81 -4.156 8.059 -16.386 1.00 1.93 N ATOM 1312 CA PRO A 81 -4.689 6.774 -16.874 1.00 2.28 C ATOM 1313 C PRO A 81 -3.645 5.654 -16.939 1.00 2.24 C ATOM 1314 O PRO A 81 -3.490 4.994 -17.966 1.00 2.80 O ATOM 1315 CB PRO A 81 -5.189 7.105 -18.286 1.00 2.89 C ATOM 1316 CG PRO A 81 -5.260 8.591 -18.341 1.00 3.10 C ATOM 1317 CD PRO A 81 -4.163 9.077 -17.445 1.00 2.53 C ATOM 0 HA PRO A 81 -5.455 6.393 -16.199 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -4.510 6.716 -19.045 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -6.165 6.658 -18.472 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -5.124 8.953 -19.360 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -6.232 8.950 -18.002 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -3.206 9.131 -17.965 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -4.369 10.073 -17.052 1.00 2.53 H new ATOM 1325 N GLY A 82 -2.948 5.437 -15.835 1.00 1.99 N ATOM 1326 CA GLY A 82 -1.947 4.390 -15.771 1.00 2.10 C ATOM 1327 C GLY A 82 -2.069 3.596 -14.489 1.00 1.96 C ATOM 1328 O GLY A 82 -1.285 2.683 -14.225 1.00 2.51 O ATOM 0 H GLY A 82 -3.058 5.972 -14.974 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -2.058 3.724 -16.627 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -0.952 4.830 -15.836 1.00 2.10 H new ATOM 1332 N LEU A 83 -3.066 3.959 -13.690 1.00 1.57 N ATOM 1333 CA LEU A 83 -3.323 3.308 -12.416 1.00 1.40 C ATOM 1334 C LEU A 83 -4.801 2.954 -12.283 1.00 1.22 C ATOM 1335 O LEU A 83 -5.665 3.641 -12.836 1.00 1.13 O ATOM 1336 CB LEU A 83 -2.910 4.231 -11.263 1.00 1.31 C ATOM 1337 CG LEU A 83 -1.411 4.503 -11.148 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.147 5.614 -10.140 1.00 1.26 C ATOM 1339 CD2 LEU A 83 -0.668 3.231 -10.764 1.00 1.86 C ATOM 0 H LEU A 83 -3.717 4.713 -13.909 1.00 1.57 H new ATOM 0 HA LEU A 83 -2.736 2.390 -12.374 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -3.427 5.183 -11.379 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.256 3.792 -10.327 1.00 1.31 H new ATOM 0 HG LEU A 83 -1.041 4.832 -12.119 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -0.074 5.795 -10.070 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -1.649 6.526 -10.464 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -1.529 5.317 -9.163 1.00 1.26 H new ATOM 0 HD21 LEU A 83 0.399 3.442 -10.686 1.00 1.86 H new ATOM 0 HD22 LEU A 83 -1.037 2.870 -9.804 1.00 1.86 H new ATOM 0 HD23 LEU A 83 -0.833 2.469 -11.526 1.00 1.86 H new ATOM 1351 N PRO A 84 -5.108 1.880 -11.544 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.475 1.431 -11.315 1.00 1.29 C ATOM 1353 C PRO A 84 -7.144 2.232 -10.202 1.00 1.09 C ATOM 1354 O PRO A 84 -6.478 2.963 -9.466 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.320 -0.032 -10.883 1.00 1.58 C ATOM 1356 CG PRO A 84 -4.848 -0.314 -10.848 1.00 1.75 C ATOM 1357 CD PRO A 84 -4.144 1.013 -10.866 1.00 1.64 C ATOM 0 HA PRO A 84 -7.098 1.556 -12.201 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -6.770 -0.197 -9.904 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -6.826 -0.698 -11.582 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -4.585 -0.878 -9.953 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -4.551 -0.919 -11.705 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -3.920 1.366 -9.859 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -3.197 0.962 -11.404 1.00 1.64 H new ATOM 1365 N SER A 85 -8.453 2.093 -10.078 1.00 0.99 N ATOM 1366 CA SER A 85 -9.190 2.794 -9.041 1.00 0.88 C ATOM 1367 C SER A 85 -9.645 1.814 -7.970 1.00 0.63 C ATOM 1368 O SER A 85 -10.455 0.926 -8.240 1.00 0.82 O ATOM 1369 CB SER A 85 -10.402 3.510 -9.643 1.00 1.23 C ATOM 1370 OG SER A 85 -10.022 4.364 -10.712 1.00 1.43 O ATOM 0 H SER A 85 -9.026 1.503 -10.681 1.00 0.99 H new ATOM 0 HA SER A 85 -8.533 3.536 -8.587 1.00 0.88 H new ATOM 0 HB2 SER A 85 -11.120 2.773 -10.002 1.00 1.23 H new ATOM 0 HB3 SER A 85 -10.903 4.093 -8.870 1.00 1.23 H new ATOM 0 HG SER A 85 -10.817 4.805 -11.077 1.00 1.43 H new ATOM 1376 N PHE A 86 -9.132 1.967 -6.761 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.515 1.081 -5.678 1.00 0.64 C ATOM 1378 C PHE A 86 -9.546 1.816 -4.349 1.00 0.57 C ATOM 1379 O PHE A 86 -8.938 2.875 -4.190 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.574 -0.128 -5.609 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.210 0.147 -5.037 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.993 0.145 -3.666 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -6.142 0.395 -5.877 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.736 0.382 -3.153 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.884 0.635 -5.366 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.682 0.626 -4.001 1.00 0.75 C ATOM 0 H PHE A 86 -8.457 2.688 -6.507 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.523 0.721 -5.882 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -9.051 -0.904 -5.010 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.453 -0.531 -6.615 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -7.817 -0.044 -2.995 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -6.294 0.401 -6.946 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -5.579 0.376 -2.084 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -4.058 0.830 -6.033 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.697 0.811 -3.599 1.00 0.75 H new ATOM 1396 N ARG A 87 -10.248 1.232 -3.392 1.00 0.60 N ATOM 1397 CA ARG A 87 -10.356 1.799 -2.056 1.00 0.57 C ATOM 1398 C ARG A 87 -9.884 0.778 -1.029 1.00 0.57 C ATOM 1399 O ARG A 87 -10.694 -0.021 -0.563 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.808 2.150 -1.725 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.485 3.130 -2.672 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.101 2.413 -3.866 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.090 1.411 -3.453 1.00 1.36 N ATOM 1404 CZ ARG A 87 -14.707 0.576 -4.290 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.551 0.701 -5.600 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -15.585 -0.296 -3.820 1.00 2.41 N ATOM 0 H ARG A 87 -10.757 0.357 -3.517 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.743 2.700 -2.026 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -12.390 1.229 -1.709 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.841 2.566 -0.718 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -13.259 3.680 -2.137 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -11.757 3.863 -3.021 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -13.576 3.143 -4.522 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -12.314 1.929 -4.444 1.00 1.24 H new ATOM 0 HE ARG A 87 -14.321 1.349 -2.461 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -13.956 1.440 -5.975 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -15.026 0.058 -6.234 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.788 -0.328 -2.821 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -16.059 -0.936 -4.457 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.594 0.778 -0.685 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.082 -0.201 0.281 1.00 0.54 C ATOM 1422 C ILE A 88 -8.827 -0.123 1.592 1.00 0.59 C ATOM 1423 O ILE A 88 -8.953 0.941 2.202 1.00 0.68 O ATOM 1424 CB ILE A 88 -6.565 -0.124 0.562 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -5.989 1.236 0.180 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -5.837 -1.259 -0.153 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.517 1.371 0.501 1.00 0.74 C ATOM 0 H ILE A 88 -7.898 1.428 -1.050 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.256 -1.160 -0.208 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.413 -0.241 1.635 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.138 1.400 -0.887 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.541 2.017 0.702 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -4.769 -1.193 0.053 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.217 -2.216 0.203 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.005 -1.179 -1.227 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.169 2.361 0.205 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.365 1.238 1.572 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -3.955 0.611 -0.042 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.331 -1.270 1.993 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.088 -1.411 3.208 1.00 0.74 C ATOM 1441 C LYS A 89 -9.766 -2.743 3.853 1.00 0.85 C ATOM 1442 O LYS A 89 -9.400 -3.696 3.168 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.578 -1.388 2.887 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.139 -0.018 2.571 1.00 1.31 C ATOM 1445 CD LYS A 89 -12.592 0.686 3.843 1.00 1.68 C ATOM 1446 CE LYS A 89 -13.504 -0.200 4.686 1.00 1.89 C ATOM 1447 NZ LYS A 89 -13.841 0.405 6.009 1.00 2.46 N ATOM 0 H LYS A 89 -9.222 -2.141 1.473 1.00 0.62 H new ATOM 0 HA LYS A 89 -9.833 -0.592 3.881 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -11.762 -2.045 2.037 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.124 -1.802 3.735 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -11.382 0.583 2.067 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.979 -0.114 1.884 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -11.720 0.973 4.430 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -13.117 1.605 3.583 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.425 -0.393 4.135 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -13.020 -1.163 4.845 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -14.030 -0.351 6.698 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -13.043 0.984 6.339 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -14.686 1.004 5.912 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.922 -2.852 5.163 1.00 1.06 N ATOM 1462 CA PRO A 90 -9.692 -4.084 5.871 1.00 1.30 C ATOM 1463 C PRO A 90 -11.012 -4.845 6.021 1.00 1.47 C ATOM 1464 O PRO A 90 -11.562 -4.930 7.104 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.181 -3.567 7.212 1.00 1.59 C ATOM 1466 CG PRO A 90 -9.938 -2.297 7.440 1.00 1.77 C ATOM 1467 CD PRO A 90 -10.368 -1.791 6.080 1.00 1.29 C ATOM 0 HA PRO A 90 -9.007 -4.780 5.387 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.364 -4.286 8.010 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.106 -3.388 7.184 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -10.804 -2.473 8.078 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -9.314 -1.561 7.946 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -11.447 -1.644 6.029 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -9.904 -0.834 5.843 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.550 -5.358 4.913 1.00 1.40 N ATOM 1476 CA LYS A 91 -12.835 -6.056 4.959 1.00 1.72 C ATOM 1477 C LYS A 91 -12.744 -7.321 5.807 1.00 2.02 C ATOM 1478 O LYS A 91 -13.697 -7.694 6.490 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.316 -6.384 3.539 1.00 1.95 C ATOM 1480 CG LYS A 91 -14.828 -6.512 3.407 1.00 2.50 C ATOM 1481 CD LYS A 91 -15.306 -7.938 3.637 1.00 2.94 C ATOM 1482 CE LYS A 91 -16.777 -8.084 3.275 1.00 3.58 C ATOM 1483 NZ LYS A 91 -17.204 -9.503 3.197 1.00 4.13 N ATOM 0 H LYS A 91 -11.124 -5.305 3.988 1.00 1.40 H new ATOM 0 HA LYS A 91 -13.564 -5.395 5.427 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -12.968 -5.605 2.860 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.854 -7.317 3.217 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -15.311 -5.848 4.124 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -15.133 -6.184 2.413 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -14.710 -8.626 3.038 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.156 -8.212 4.681 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -17.384 -7.565 4.017 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -16.962 -7.599 2.317 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -18.213 -9.549 2.948 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -16.645 -9.994 2.470 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -17.054 -9.962 4.118 1.00 4.13 H new ATOM 1497 N ASP A 92 -11.587 -7.978 5.768 1.00 2.34 N ATOM 1498 CA ASP A 92 -11.359 -9.200 6.535 1.00 2.92 C ATOM 1499 C ASP A 92 -11.430 -8.916 8.033 1.00 2.79 C ATOM 1500 O ASP A 92 -11.937 -9.723 8.813 1.00 3.27 O ATOM 1501 CB ASP A 92 -9.989 -9.773 6.185 1.00 3.81 C ATOM 1502 CG ASP A 92 -9.752 -11.131 6.803 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -10.472 -12.084 6.440 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -8.836 -11.256 7.640 1.00 5.11 O ATOM 0 H ASP A 92 -10.787 -7.681 5.209 1.00 2.34 H new ATOM 0 HA ASP A 92 -12.135 -9.922 6.282 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -9.898 -9.850 5.102 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -9.214 -9.084 6.522 1.00 3.81 H new ATOM 1509 N PHE A 93 -10.936 -7.749 8.414 1.00 2.71 N ATOM 1510 CA PHE A 93 -10.944 -7.301 9.800 1.00 2.95 C ATOM 1511 C PHE A 93 -11.027 -5.779 9.788 1.00 3.05 C ATOM 1512 O PHE A 93 -10.012 -5.095 9.662 1.00 3.30 O ATOM 1513 CB PHE A 93 -9.683 -7.789 10.525 1.00 3.27 C ATOM 1514 CG PHE A 93 -9.877 -7.972 12.000 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -10.853 -8.833 12.466 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -9.094 -7.293 12.922 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -11.048 -9.018 13.819 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -9.286 -7.473 14.280 1.00 5.30 C ATOM 1519 CZ PHE A 93 -10.266 -8.336 14.728 1.00 5.69 C ATOM 0 H PHE A 93 -10.516 -7.081 7.768 1.00 2.71 H new ATOM 0 HA PHE A 93 -11.798 -7.713 10.338 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -9.365 -8.735 10.088 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -8.877 -7.074 10.358 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -11.472 -9.368 11.761 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -8.326 -6.617 12.576 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -11.813 -9.697 14.167 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -8.670 -6.939 14.989 1.00 5.30 H new ATOM 0 HZ PHE A 93 -10.420 -8.477 15.788 1.00 5.69 H new ATOM 1529 N GLU A 94 -12.249 -5.267 9.859 1.00 3.44 N ATOM 1530 CA GLU A 94 -12.482 -3.823 9.785 1.00 3.96 C ATOM 1531 C GLU A 94 -12.276 -3.138 11.120 1.00 3.75 C ATOM 1532 O GLU A 94 -11.627 -2.092 11.194 1.00 4.15 O ATOM 1533 CB GLU A 94 -13.884 -3.533 9.251 1.00 4.82 C ATOM 1534 CG GLU A 94 -14.170 -2.053 9.051 1.00 5.73 C ATOM 1535 CD GLU A 94 -15.488 -1.810 8.357 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -16.538 -2.191 8.911 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -15.482 -1.254 7.243 1.00 7.20 O ATOM 0 H GLU A 94 -13.095 -5.826 9.968 1.00 3.44 H new ATOM 0 HA GLU A 94 -11.744 -3.415 9.094 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -14.015 -4.051 8.301 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -14.619 -3.945 9.943 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -14.175 -1.553 10.019 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -13.366 -1.606 8.465 1.00 5.73 H new ATOM 1544 N THR A 95 -12.829 -3.716 12.170 1.00 3.56 N ATOM 1545 CA THR A 95 -12.698 -3.148 13.496 1.00 3.57 C ATOM 1546 C THR A 95 -11.249 -3.258 13.960 1.00 3.11 C ATOM 1547 O THR A 95 -10.835 -4.268 14.533 1.00 3.46 O ATOM 1548 CB THR A 95 -13.661 -3.850 14.448 1.00 4.37 C ATOM 1549 OG1 THR A 95 -14.975 -3.813 13.912 1.00 4.92 O ATOM 1550 CG2 THR A 95 -13.715 -3.228 15.825 1.00 4.79 C ATOM 0 H THR A 95 -13.373 -4.578 12.129 1.00 3.56 H new ATOM 0 HA THR A 95 -12.959 -2.090 13.481 1.00 3.57 H new ATOM 0 HB THR A 95 -13.287 -4.868 14.551 1.00 4.37 H new ATOM 0 HG1 THR A 95 -15.591 -4.266 14.525 1.00 4.92 H new ATOM 0 HG21 THR A 95 -14.420 -3.780 16.446 1.00 4.79 H new ATOM 0 HG22 THR A 95 -12.725 -3.264 16.280 1.00 4.79 H new ATOM 0 HG23 THR A 95 -14.039 -2.190 15.743 1.00 4.79 H new ATOM 1558 N SER A 96 -10.487 -2.207 13.684 1.00 2.83 N ATOM 1559 CA SER A 96 -9.085 -2.105 14.015 1.00 2.92 C ATOM 1560 C SER A 96 -8.721 -0.642 13.843 1.00 2.63 C ATOM 1561 O SER A 96 -7.822 -0.290 13.079 1.00 2.95 O ATOM 1562 CB SER A 96 -8.232 -2.947 13.067 1.00 3.49 C ATOM 1563 OG SER A 96 -8.598 -4.310 13.089 1.00 4.05 O ATOM 0 H SER A 96 -10.846 -1.379 13.208 1.00 2.83 H new ATOM 0 HA SER A 96 -8.903 -2.465 15.028 1.00 2.92 H new ATOM 0 HB2 SER A 96 -8.332 -2.562 12.052 1.00 3.49 H new ATOM 0 HB3 SER A 96 -7.182 -2.850 13.343 1.00 3.49 H new ATOM 0 HG SER A 96 -9.159 -4.486 13.873 1.00 4.05 H new ATOM 1569 N GLU A 97 -9.473 0.198 14.534 1.00 2.52 N ATOM 1570 CA GLU A 97 -9.308 1.642 14.461 1.00 2.71 C ATOM 1571 C GLU A 97 -7.870 2.048 14.741 1.00 2.41 C ATOM 1572 O GLU A 97 -7.299 2.863 14.030 1.00 2.64 O ATOM 1573 CB GLU A 97 -10.238 2.321 15.465 1.00 3.26 C ATOM 1574 CG GLU A 97 -10.108 3.834 15.498 1.00 3.93 C ATOM 1575 CD GLU A 97 -10.896 4.460 16.628 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -10.652 4.096 17.799 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -11.746 5.328 16.354 1.00 4.86 O ATOM 0 H GLU A 97 -10.217 -0.102 15.163 1.00 2.52 H new ATOM 0 HA GLU A 97 -9.562 1.960 13.450 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -11.269 2.060 15.225 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -10.033 1.927 16.460 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -9.057 4.103 15.600 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -10.451 4.245 14.549 1.00 3.93 H new ATOM 1584 N TYR A 98 -7.303 1.473 15.781 1.00 2.15 N ATOM 1585 CA TYR A 98 -5.927 1.775 16.185 1.00 1.95 C ATOM 1586 C TYR A 98 -4.933 1.579 15.036 1.00 1.56 C ATOM 1587 O TYR A 98 -4.146 2.472 14.725 1.00 1.45 O ATOM 1588 CB TYR A 98 -5.541 0.899 17.373 1.00 2.16 C ATOM 1589 CG TYR A 98 -6.486 1.047 18.542 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -6.466 2.182 19.344 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -7.415 0.056 18.830 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -7.345 2.320 20.403 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -8.294 0.187 19.885 1.00 4.46 C ATOM 1594 CZ TYR A 98 -8.257 1.317 20.669 1.00 4.66 C ATOM 1595 OH TYR A 98 -9.136 1.445 21.722 1.00 5.65 O ATOM 0 H TYR A 98 -7.771 0.786 16.373 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.884 2.826 16.471 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -5.521 -0.144 17.058 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -4.531 1.154 17.694 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -5.754 2.967 19.137 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -7.450 -0.833 18.217 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -7.319 3.207 21.019 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -9.009 -0.595 20.095 1.00 4.46 H new ATOM 0 HH TYR A 98 -9.709 0.651 21.768 1.00 5.65 H new ATOM 1605 N VAL A 99 -4.972 0.408 14.422 1.00 1.54 N ATOM 1606 CA VAL A 99 -4.073 0.088 13.321 1.00 1.34 C ATOM 1607 C VAL A 99 -4.450 0.830 12.034 1.00 1.17 C ATOM 1608 O VAL A 99 -3.584 1.364 11.340 1.00 1.04 O ATOM 1609 CB VAL A 99 -4.063 -1.431 13.046 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -3.160 -1.772 11.870 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -3.623 -2.195 14.284 1.00 1.91 C ATOM 0 H VAL A 99 -5.619 -0.341 14.667 1.00 1.54 H new ATOM 0 HA VAL A 99 -3.078 0.413 13.625 1.00 1.34 H new ATOM 0 HB VAL A 99 -5.080 -1.729 12.791 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -3.174 -2.849 11.701 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -3.517 -1.260 10.977 1.00 1.76 H new ATOM 0 HG13 VAL A 99 -2.141 -1.452 12.089 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -3.622 -3.264 14.071 1.00 1.91 H new ATOM 0 HG22 VAL A 99 -2.619 -1.881 14.568 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -4.312 -1.989 15.103 1.00 1.91 H new ATOM 1621 N ARG A 100 -5.733 0.832 11.703 1.00 1.36 N ATOM 1622 CA ARG A 100 -6.209 1.466 10.475 1.00 1.42 C ATOM 1623 C ARG A 100 -6.085 2.987 10.487 1.00 1.31 C ATOM 1624 O ARG A 100 -5.668 3.577 9.491 1.00 1.31 O ATOM 1625 CB ARG A 100 -7.652 1.050 10.178 1.00 1.78 C ATOM 1626 CG ARG A 100 -7.748 -0.213 9.333 1.00 2.37 C ATOM 1627 CD ARG A 100 -7.053 -1.393 9.996 1.00 3.01 C ATOM 1628 NE ARG A 100 -6.693 -2.431 9.032 1.00 3.48 N ATOM 1629 CZ ARG A 100 -6.204 -3.624 9.363 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -6.406 -4.105 10.586 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -5.845 -4.456 8.396 1.00 4.93 N ATOM 0 H ARG A 100 -6.467 0.402 12.266 1.00 1.36 H new ATOM 0 HA ARG A 100 -5.556 1.111 9.678 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -8.179 0.891 11.119 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -8.160 1.865 9.662 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -8.797 -0.458 9.164 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -7.301 -0.031 8.356 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -6.155 -1.045 10.505 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -7.707 -1.817 10.758 1.00 3.01 H new ATOM 0 HE ARG A 100 -6.825 -2.228 8.041 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -6.934 -3.560 11.267 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -6.033 -5.019 10.843 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -5.946 -4.177 7.420 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -5.468 -5.375 8.628 1.00 4.93 H new ATOM 1645 N LYS A 101 -6.437 3.628 11.594 1.00 1.34 N ATOM 1646 CA LYS A 101 -6.353 5.085 11.677 1.00 1.43 C ATOM 1647 C LYS A 101 -4.902 5.529 11.570 1.00 1.27 C ATOM 1648 O LYS A 101 -4.603 6.609 11.062 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.980 5.586 12.978 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.563 6.983 12.879 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.468 7.309 14.063 1.00 2.61 C ATOM 1652 CE LYS A 101 -7.714 7.305 15.381 1.00 2.79 C ATOM 1653 NZ LYS A 101 -8.608 7.594 16.536 1.00 3.24 N ATOM 0 H LYS A 101 -6.780 3.171 12.439 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.911 5.518 10.846 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -7.767 4.895 13.281 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -6.224 5.573 13.763 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -6.753 7.711 12.830 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -8.130 7.074 11.953 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -8.924 8.287 13.911 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -9.279 6.582 14.109 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -7.239 6.334 15.524 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -6.917 8.048 15.345 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -8.054 7.582 17.416 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -9.042 8.531 16.413 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -9.354 6.871 16.587 1.00 3.24 H new ATOM 1667 N ALA A 102 -4.003 4.664 12.016 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.575 4.940 11.940 1.00 1.11 C ATOM 1669 C ALA A 102 -2.124 4.992 10.480 1.00 0.99 C ATOM 1670 O ALA A 102 -1.217 5.746 10.125 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.790 3.891 12.714 1.00 1.22 C ATOM 0 H ALA A 102 -4.237 3.764 12.435 1.00 1.11 H new ATOM 0 HA ALA A 102 -2.380 5.912 12.393 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.725 4.111 12.647 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -2.099 3.904 13.759 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.984 2.906 12.290 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.804 4.225 9.625 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.505 4.218 8.197 1.00 1.01 C ATOM 1679 C TRP A 103 -3.031 5.485 7.538 1.00 0.93 C ATOM 1680 O TRP A 103 -2.432 5.994 6.599 1.00 1.00 O ATOM 1681 CB TRP A 103 -3.115 2.999 7.502 1.00 1.40 C ATOM 1682 CG TRP A 103 -2.218 1.802 7.468 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.892 0.983 8.509 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.518 1.299 6.324 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -1.049 -0.013 8.076 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.803 0.161 6.736 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.432 1.697 4.987 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 -0.017 -0.579 5.854 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.652 0.964 4.117 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.046 -0.163 4.552 1.00 0.98 C ATOM 0 H TRP A 103 -3.564 3.602 9.899 1.00 0.97 H new ATOM 0 HA TRP A 103 -1.421 4.172 8.092 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -4.042 2.731 8.010 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.379 3.271 6.480 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.244 1.100 9.523 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -0.668 -0.760 8.656 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.969 2.567 4.640 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.524 -1.452 6.187 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.580 1.267 3.083 1.00 0.73 H new ATOM 0 HH2 TRP A 103 0.648 -0.718 3.847 1.00 0.98 H new ATOM 1701 N LEU A 104 -4.150 5.999 8.047 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.745 7.218 7.508 1.00 1.12 C ATOM 1703 C LEU A 104 -3.801 8.393 7.716 1.00 1.10 C ATOM 1704 O LEU A 104 -3.660 9.248 6.849 1.00 1.40 O ATOM 1705 CB LEU A 104 -6.095 7.515 8.175 1.00 1.35 C ATOM 1706 CG LEU A 104 -7.328 6.923 7.485 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -7.339 5.411 7.618 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -8.601 7.518 8.068 1.00 2.27 C ATOM 0 H LEU A 104 -4.661 5.590 8.830 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.913 7.070 6.441 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -6.062 7.143 9.199 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -6.219 8.596 8.233 1.00 1.35 H new ATOM 0 HG LEU A 104 -7.283 7.174 6.425 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -8.222 5.009 7.122 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -6.443 4.998 7.155 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -7.360 5.139 8.673 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -9.467 7.086 7.566 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -8.651 7.296 9.134 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -8.598 8.598 7.922 1.00 2.27 H new ATOM 1720 N ARG A 105 -3.142 8.414 8.867 1.00 1.01 N ATOM 1721 CA ARG A 105 -2.194 9.475 9.178 1.00 1.18 C ATOM 1722 C ARG A 105 -0.942 9.315 8.327 1.00 1.08 C ATOM 1723 O ARG A 105 -0.450 10.271 7.731 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.792 9.439 10.655 1.00 1.38 C ATOM 1725 CG ARG A 105 -2.947 9.269 11.626 1.00 2.01 C ATOM 1726 CD ARG A 105 -2.438 9.072 13.043 1.00 2.29 C ATOM 1727 NE ARG A 105 -1.203 8.285 13.069 1.00 2.86 N ATOM 1728 CZ ARG A 105 -0.557 7.944 14.181 1.00 3.68 C ATOM 1729 NH1 ARG A 105 -1.119 8.135 15.366 1.00 4.09 N ATOM 1730 NH2 ARG A 105 0.569 7.248 14.099 1.00 4.52 N ATOM 0 H ARG A 105 -3.246 7.711 9.598 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.677 10.429 8.964 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -1.086 8.622 10.805 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -1.266 10.363 10.896 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -3.593 10.146 11.586 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -3.553 8.413 11.330 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -2.261 10.043 13.505 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -3.202 8.571 13.638 1.00 2.29 H new ATOM 0 HE ARG A 105 -0.813 7.979 12.178 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.051 8.545 15.428 1.00 4.09 H new ATOM 0 HH12 ARG A 105 -0.620 7.872 16.216 1.00 4.09 H new ATOM 0 HH21 ARG A 105 0.936 6.977 13.187 1.00 4.52 H new ATOM 0 HH22 ARG A 105 1.068 6.984 14.948 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.423 8.094 8.301 1.00 0.95 N ATOM 1745 CA ASP A 106 0.795 7.783 7.557 1.00 0.99 C ATOM 1746 C ASP A 106 0.619 7.976 6.050 1.00 0.96 C ATOM 1747 O ASP A 106 1.496 8.527 5.400 1.00 1.17 O ATOM 1748 CB ASP A 106 1.255 6.358 7.874 1.00 1.09 C ATOM 1749 CG ASP A 106 2.764 6.250 7.933 1.00 1.46 C ATOM 1750 OD1 ASP A 106 3.385 7.031 8.688 1.00 2.18 O ATOM 1751 OD2 ASP A 106 3.337 5.383 7.250 1.00 1.76 O ATOM 0 H ASP A 106 -0.829 7.296 8.790 1.00 0.95 H new ATOM 0 HA ASP A 106 1.565 8.486 7.876 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.831 6.044 8.828 1.00 1.09 H new ATOM 0 HB3 ASP A 106 0.872 5.676 7.115 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.508 7.529 5.497 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.762 7.667 4.059 1.00 1.04 C ATOM 1758 C ILE A 107 -0.954 9.141 3.677 1.00 1.23 C ATOM 1759 O ILE A 107 -0.647 9.553 2.559 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.007 6.848 3.618 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -1.916 6.480 2.134 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.300 7.607 3.894 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.011 5.297 1.856 1.00 1.45 C ATOM 0 H ILE A 107 -1.257 7.071 6.017 1.00 0.92 H new ATOM 0 HA ILE A 107 0.112 7.273 3.540 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.021 5.931 4.207 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -2.916 6.257 1.762 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.553 7.343 1.576 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.151 7.005 3.573 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.381 7.811 4.962 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.294 8.548 3.344 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -0.996 5.094 0.785 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.001 5.524 2.197 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.385 4.421 2.386 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.466 9.923 4.620 1.00 1.25 N ATOM 1776 CA ALA A 108 -1.712 11.342 4.401 1.00 1.52 C ATOM 1777 C ALA A 108 -0.409 12.125 4.284 1.00 1.59 C ATOM 1778 O ALA A 108 -0.398 13.258 3.799 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.564 11.894 5.531 1.00 1.62 C ATOM 0 H ALA A 108 -1.721 9.594 5.551 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.246 11.454 3.457 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -2.746 12.956 5.364 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.515 11.363 5.562 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -2.043 11.760 6.479 1.00 1.62 H new ATOM 1785 N GLU A 109 0.685 11.522 4.735 1.00 1.39 N ATOM 1786 CA GLU A 109 1.991 12.166 4.695 1.00 1.50 C ATOM 1787 C GLU A 109 3.110 11.137 4.889 1.00 1.43 C ATOM 1788 O GLU A 109 3.831 11.152 5.888 1.00 1.70 O ATOM 1789 CB GLU A 109 2.059 13.255 5.777 1.00 1.69 C ATOM 1790 CG GLU A 109 1.716 12.747 7.171 1.00 1.73 C ATOM 1791 CD GLU A 109 1.674 13.837 8.224 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.872 15.022 7.880 1.00 2.56 O ATOM 1793 OE2 GLU A 109 1.441 13.503 9.407 1.00 2.40 O ATOM 0 H GLU A 109 0.692 10.583 5.134 1.00 1.39 H new ATOM 0 HA GLU A 109 2.130 12.627 3.717 1.00 1.50 H new ATOM 0 HB2 GLU A 109 3.062 13.681 5.791 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.374 14.061 5.514 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.747 12.248 7.138 1.00 1.73 H new ATOM 0 HG3 GLU A 109 2.450 11.997 7.466 1.00 1.73 H new ATOM 1800 N GLU A 110 3.244 10.238 3.919 1.00 1.49 N ATOM 1801 CA GLU A 110 4.262 9.192 3.973 1.00 1.63 C ATOM 1802 C GLU A 110 5.658 9.798 3.992 1.00 1.78 C ATOM 1803 O GLU A 110 6.130 10.308 2.971 1.00 2.20 O ATOM 1804 CB GLU A 110 4.137 8.262 2.768 1.00 2.09 C ATOM 1805 CG GLU A 110 2.737 7.727 2.547 1.00 2.83 C ATOM 1806 CD GLU A 110 2.581 7.099 1.183 1.00 3.38 C ATOM 1807 OE1 GLU A 110 3.110 5.994 0.969 1.00 3.86 O ATOM 1808 OE2 GLU A 110 1.961 7.740 0.305 1.00 3.86 O ATOM 0 H GLU A 110 2.659 10.212 3.084 1.00 1.49 H new ATOM 0 HA GLU A 110 4.106 8.623 4.889 1.00 1.63 H new ATOM 0 HB2 GLU A 110 4.456 8.797 1.874 1.00 2.09 H new ATOM 0 HB3 GLU A 110 4.820 7.422 2.897 1.00 2.09 H new ATOM 0 HG2 GLU A 110 2.506 6.989 3.315 1.00 2.83 H new ATOM 0 HG3 GLU A 110 2.017 8.538 2.657 1.00 2.83 H new ATOM 1815 N GLN A 111 6.304 9.727 5.156 1.00 1.93 N ATOM 1816 CA GLN A 111 7.649 10.252 5.356 1.00 2.44 C ATOM 1817 C GLN A 111 7.809 11.640 4.721 1.00 2.84 C ATOM 1818 O GLN A 111 8.820 11.941 4.086 1.00 3.22 O ATOM 1819 CB GLN A 111 8.651 9.250 4.784 1.00 2.97 C ATOM 1820 CG GLN A 111 10.052 9.407 5.329 1.00 3.66 C ATOM 1821 CD GLN A 111 10.917 8.193 5.056 1.00 4.54 C ATOM 1822 OE1 GLN A 111 10.863 7.201 5.779 1.00 5.12 O ATOM 1823 NE2 GLN A 111 11.690 8.249 3.987 1.00 5.02 N ATOM 0 H GLN A 111 5.903 9.300 5.991 1.00 1.93 H new ATOM 0 HA GLN A 111 7.837 10.380 6.422 1.00 2.44 H new ATOM 0 HB2 GLN A 111 8.301 8.240 4.995 1.00 2.97 H new ATOM 0 HB3 GLN A 111 8.679 9.358 3.700 1.00 2.97 H new ATOM 0 HG2 GLN A 111 10.516 10.288 4.884 1.00 3.66 H new ATOM 0 HG3 GLN A 111 10.004 9.581 6.404 1.00 3.66 H new ATOM 0 HE21 GLN A 111 11.706 9.092 3.413 1.00 5.02 H new ATOM 0 HE22 GLN A 111 12.271 7.449 3.735 1.00 5.02 H new