USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=17 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 36 LYS NZ :NH3+ 178:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 56 SER OG : rot 180:sc= 1.04 USER MOD Single : A 13 HIS : no HD1:sc=-0.00652 X(o=-0.0065,f=-0.0065) USER MOD Single : A 17 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.00031) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 2.4 (180deg=2.31) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.5) USER MOD Single : A 38 MET CE :methyl -118:sc= -0.0477 (180deg=-2.95!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 54 TYR OH : rot -120:sc= 0.679 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -130:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0195 K(o=-0.02,f=-0.85) USER MOD Single : A 66 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.033) USER MOD Single : A 67 HIS : no HD1:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 68 THR OG1 : rot -73:sc= 1.32 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.956 X(o=-0.96,f=-0.96) USER MOD Single : A 79 GLN : amide:sc= -4.32! C(o=-4.3!,f=-9.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -145:sc= 1.15 (180deg=0.847) USER MOD Single : A 95 THR OG1 : rot -24:sc= 0.48 USER MOD Single : A 96 SER OG : rot 170:sc= -0.405 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= -1.09 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 10.748 -3.428 5.136 1.00 3.85 N ATOM 109 CA ARG A 9 9.735 -2.452 4.766 1.00 3.14 C ATOM 110 C ARG A 9 9.851 -1.224 5.662 1.00 2.98 C ATOM 111 O ARG A 9 9.008 -0.993 6.531 1.00 3.23 O ATOM 112 CB ARG A 9 8.336 -3.062 4.874 1.00 2.97 C ATOM 113 CG ARG A 9 8.069 -4.235 3.930 1.00 3.11 C ATOM 114 CD ARG A 9 8.588 -5.564 4.472 1.00 3.35 C ATOM 115 NE ARG A 9 8.582 -6.611 3.450 1.00 3.78 N ATOM 116 CZ ARG A 9 8.994 -7.865 3.656 1.00 4.27 C ATOM 117 NH1 ARG A 9 9.194 -8.297 4.887 1.00 4.46 N ATOM 118 NH2 ARG A 9 8.988 -8.726 2.658 1.00 4.95 N ATOM 0 HA ARG A 9 9.896 -2.152 3.730 1.00 3.14 H new ATOM 0 HB2 ARG A 9 8.180 -3.397 5.899 1.00 2.97 H new ATOM 0 HB3 ARG A 9 7.600 -2.282 4.678 1.00 2.97 H new ATOM 0 HG2 ARG A 9 6.997 -4.315 3.752 1.00 3.11 H new ATOM 0 HG3 ARG A 9 8.538 -4.033 2.967 1.00 3.11 H new ATOM 0 HD2 ARG A 9 9.602 -5.431 4.849 1.00 3.35 H new ATOM 0 HD3 ARG A 9 7.973 -5.877 5.316 1.00 3.35 H new ATOM 0 HE ARG A 9 8.241 -6.368 2.520 1.00 3.78 H new ATOM 0 HH11 ARG A 9 9.034 -7.674 5.678 1.00 4.46 H new ATOM 0 HH12 ARG A 9 9.509 -9.254 5.047 1.00 4.46 H new ATOM 0 HH21 ARG A 9 8.670 -8.434 1.734 1.00 4.95 H new ATOM 0 HH22 ARG A 9 9.302 -9.685 2.810 1.00 4.95 H new ATOM 132 N ILE A 10 10.935 -0.475 5.438 1.00 2.78 N ATOM 133 CA ILE A 10 11.295 0.735 6.182 1.00 2.70 C ATOM 134 C ILE A 10 10.100 1.529 6.732 1.00 2.20 C ATOM 135 O ILE A 10 10.071 1.884 7.912 1.00 2.49 O ATOM 136 CB ILE A 10 12.186 1.647 5.297 1.00 2.80 C ATOM 137 CG1 ILE A 10 12.429 2.991 5.969 1.00 2.80 C ATOM 138 CG2 ILE A 10 11.575 1.831 3.909 1.00 2.55 C ATOM 139 CD1 ILE A 10 13.474 3.830 5.243 1.00 3.25 C ATOM 0 H ILE A 10 11.610 -0.703 4.708 1.00 2.78 H new ATOM 0 HA ILE A 10 11.843 0.395 7.061 1.00 2.70 H new ATOM 0 HB ILE A 10 13.151 1.154 5.175 1.00 2.80 H new ATOM 0 HG12 ILE A 10 11.491 3.545 6.014 1.00 2.80 H new ATOM 0 HG13 ILE A 10 12.752 2.826 6.997 1.00 2.80 H new ATOM 0 HG21 ILE A 10 12.220 2.474 3.310 1.00 2.55 H new ATOM 0 HG22 ILE A 10 11.478 0.860 3.423 1.00 2.55 H new ATOM 0 HG23 ILE A 10 10.591 2.290 4.003 1.00 2.55 H new ATOM 0 HD11 ILE A 10 13.607 4.777 5.766 1.00 3.25 H new ATOM 0 HD12 ILE A 10 14.421 3.292 5.221 1.00 3.25 H new ATOM 0 HD13 ILE A 10 13.142 4.022 4.223 1.00 3.25 H new ATOM 151 N ILE A 11 9.108 1.780 5.896 1.00 1.98 N ATOM 152 CA ILE A 11 7.929 2.500 6.330 1.00 1.56 C ATOM 153 C ILE A 11 6.993 1.546 7.053 1.00 1.31 C ATOM 154 O ILE A 11 7.003 1.491 8.279 1.00 1.71 O ATOM 155 CB ILE A 11 7.216 3.208 5.149 1.00 1.37 C ATOM 156 CG1 ILE A 11 8.064 4.381 4.670 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.816 3.682 5.524 1.00 1.05 C ATOM 158 CD1 ILE A 11 7.365 5.221 3.637 1.00 2.05 C ATOM 0 H ILE A 11 9.097 1.496 4.916 1.00 1.98 H new ATOM 0 HA ILE A 11 8.237 3.287 7.019 1.00 1.56 H new ATOM 0 HB ILE A 11 7.102 2.483 4.343 1.00 1.37 H new ATOM 0 HG12 ILE A 11 8.326 5.006 5.523 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.997 4.003 4.253 1.00 1.94 H new ATOM 0 HG21 ILE A 11 5.356 4.172 4.666 1.00 1.05 H new ATOM 0 HG22 ILE A 11 5.210 2.826 5.822 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.880 4.387 6.353 1.00 1.05 H new ATOM 0 HD11 ILE A 11 8.016 6.041 3.333 1.00 2.05 H new ATOM 0 HD12 ILE A 11 7.126 4.606 2.769 1.00 2.05 H new ATOM 0 HD13 ILE A 11 6.445 5.626 4.059 1.00 2.05 H new ATOM 170 N ARG A 12 6.196 0.796 6.306 1.00 0.96 N ATOM 171 CA ARG A 12 5.274 -0.148 6.904 1.00 1.02 C ATOM 172 C ARG A 12 4.809 -1.161 5.873 1.00 0.77 C ATOM 173 O ARG A 12 5.096 -1.033 4.685 1.00 0.91 O ATOM 174 CB ARG A 12 4.063 0.593 7.458 1.00 1.53 C ATOM 175 CG ARG A 12 3.632 0.135 8.850 1.00 2.10 C ATOM 176 CD ARG A 12 4.293 0.962 9.937 1.00 2.67 C ATOM 177 NE ARG A 12 3.751 2.313 9.967 1.00 3.29 N ATOM 178 CZ ARG A 12 4.166 3.279 10.780 1.00 3.98 C ATOM 179 NH1 ARG A 12 5.464 3.362 11.052 1.00 4.30 N ATOM 180 NH2 ARG A 12 3.461 4.400 10.832 1.00 4.72 N ATOM 0 H ARG A 12 6.172 0.825 5.287 1.00 0.96 H new ATOM 0 HA ARG A 12 5.789 -0.670 7.711 1.00 1.02 H new ATOM 0 HB2 ARG A 12 4.288 1.659 7.492 1.00 1.53 H new ATOM 0 HB3 ARG A 12 3.227 0.465 6.770 1.00 1.53 H new ATOM 0 HG2 ARG A 12 2.549 0.213 8.940 1.00 2.10 H new ATOM 0 HG3 ARG A 12 3.889 -0.916 8.984 1.00 2.10 H new ATOM 0 HD2 ARG A 12 4.142 0.484 10.905 1.00 2.67 H new ATOM 0 HD3 ARG A 12 5.369 1.002 9.765 1.00 2.67 H new ATOM 0 HE ARG A 12 2.997 2.534 9.316 1.00 3.29 H new ATOM 0 HH11 ARG A 12 6.115 2.694 10.640 1.00 4.30 H new ATOM 0 HH12 ARG A 12 5.809 4.094 11.673 1.00 4.30 H new ATOM 0 HH21 ARG A 12 2.625 4.504 10.257 1.00 4.72 H new ATOM 0 HH22 ARG A 12 3.755 5.159 11.447 1.00 4.72 H new ATOM 194 N HIS A 13 4.054 -2.137 6.325 1.00 0.70 N ATOM 195 CA HIS A 13 3.495 -3.140 5.448 1.00 0.68 C ATOM 196 C HIS A 13 2.299 -3.765 6.138 1.00 0.74 C ATOM 197 O HIS A 13 2.330 -3.999 7.342 1.00 1.04 O ATOM 198 CB HIS A 13 4.521 -4.211 5.059 1.00 0.93 C ATOM 199 CG HIS A 13 4.771 -5.266 6.094 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.378 -5.014 7.294 1.00 1.69 N ATOM 201 CD2 HIS A 13 4.454 -6.587 6.110 1.00 1.46 C ATOM 202 CE1 HIS A 13 5.431 -6.132 7.994 1.00 1.98 C ATOM 203 NE2 HIS A 13 4.874 -7.093 7.301 1.00 1.80 N ATOM 0 H HIS A 13 3.811 -2.257 7.308 1.00 0.70 H new ATOM 0 HA HIS A 13 3.188 -2.661 4.518 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.185 -4.697 4.143 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.466 -3.719 4.830 1.00 0.93 H new ATOM 0 HD2 HIS A 13 3.959 -7.135 5.322 1.00 1.46 H new ATOM 0 HE1 HIS A 13 5.863 -6.237 8.978 1.00 1.98 H new ATOM 0 HE2 HIS A 13 4.772 -8.062 7.604 1.00 1.80 H new ATOM 212 N ASP A 14 1.239 -4.003 5.388 1.00 0.60 N ATOM 213 CA ASP A 14 0.032 -4.580 5.968 1.00 0.69 C ATOM 214 C ASP A 14 -0.674 -5.495 4.964 1.00 0.61 C ATOM 215 O ASP A 14 -0.112 -5.835 3.926 1.00 0.86 O ATOM 216 CB ASP A 14 -0.900 -3.458 6.442 1.00 0.83 C ATOM 217 CG ASP A 14 -1.707 -3.850 7.657 1.00 1.31 C ATOM 218 OD1 ASP A 14 -2.559 -4.750 7.547 1.00 2.03 O ATOM 219 OD2 ASP A 14 -1.482 -3.260 8.737 1.00 1.78 O ATOM 0 H ASP A 14 1.185 -3.810 4.388 1.00 0.60 H new ATOM 0 HA ASP A 14 0.310 -5.191 6.827 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -0.308 -2.572 6.673 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.577 -3.186 5.632 1.00 0.83 H new ATOM 224 N ALA A 15 -1.895 -5.903 5.279 1.00 0.75 N ATOM 225 CA ALA A 15 -2.676 -6.777 4.407 1.00 0.71 C ATOM 226 C ALA A 15 -4.158 -6.518 4.618 1.00 0.68 C ATOM 227 O ALA A 15 -4.611 -6.368 5.753 1.00 0.88 O ATOM 228 CB ALA A 15 -2.328 -8.238 4.670 1.00 0.84 C ATOM 0 H ALA A 15 -2.373 -5.641 6.141 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.432 -6.560 3.367 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -2.918 -8.877 4.013 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.268 -8.400 4.477 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -2.549 -8.483 5.709 1.00 0.84 H new ATOM 234 N PHE A 16 -4.903 -6.452 3.530 1.00 0.60 N ATOM 235 CA PHE A 16 -6.327 -6.187 3.589 1.00 0.67 C ATOM 236 C PHE A 16 -7.079 -7.058 2.588 1.00 0.68 C ATOM 237 O PHE A 16 -6.473 -7.802 1.820 1.00 1.00 O ATOM 238 CB PHE A 16 -6.592 -4.706 3.301 1.00 0.77 C ATOM 239 CG PHE A 16 -5.994 -3.768 4.316 1.00 1.09 C ATOM 240 CD1 PHE A 16 -6.414 -3.772 5.645 1.00 1.83 C ATOM 241 CD2 PHE A 16 -4.997 -2.884 3.934 1.00 1.74 C ATOM 242 CE1 PHE A 16 -5.859 -2.897 6.565 1.00 2.36 C ATOM 243 CE2 PHE A 16 -4.443 -2.016 4.846 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.869 -2.019 6.162 1.00 2.35 C ATOM 0 H PHE A 16 -4.540 -6.580 2.586 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.685 -6.428 4.590 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -6.194 -4.461 2.316 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.669 -4.542 3.259 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -7.180 -4.464 5.961 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -4.652 -2.877 2.911 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -6.197 -2.901 7.591 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -3.671 -1.328 4.533 1.00 2.26 H new ATOM 0 HZ PHE A 16 -4.429 -1.337 6.874 1.00 2.35 H new ATOM 254 N GLN A 17 -8.401 -6.930 2.571 1.00 0.59 N ATOM 255 CA GLN A 17 -9.249 -7.679 1.651 1.00 0.60 C ATOM 256 C GLN A 17 -10.459 -6.822 1.368 1.00 0.64 C ATOM 257 O GLN A 17 -11.587 -7.119 1.757 1.00 0.95 O ATOM 258 CB GLN A 17 -9.666 -9.024 2.248 1.00 0.74 C ATOM 259 CG GLN A 17 -10.294 -9.984 1.248 1.00 1.07 C ATOM 260 CD GLN A 17 -10.760 -11.281 1.898 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.054 -12.269 1.221 1.00 1.81 O ATOM 262 NE2 GLN A 17 -10.876 -11.273 3.225 1.00 1.63 N ATOM 0 H GLN A 17 -8.914 -6.306 3.193 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.706 -7.902 0.732 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.790 -9.499 2.690 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -10.374 -8.845 3.057 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.142 -9.498 0.766 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -9.571 -10.213 0.465 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.624 -10.438 3.754 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -11.217 -12.102 3.712 1.00 1.63 H new ATOM 271 N VAL A 18 -10.177 -5.711 0.727 1.00 0.51 N ATOM 272 CA VAL A 18 -11.157 -4.708 0.389 1.00 0.59 C ATOM 273 C VAL A 18 -11.598 -4.900 -1.074 1.00 0.60 C ATOM 274 O VAL A 18 -11.943 -6.014 -1.448 1.00 1.04 O ATOM 275 CB VAL A 18 -10.536 -3.325 0.700 1.00 0.83 C ATOM 276 CG1 VAL A 18 -9.188 -3.206 0.017 1.00 0.84 C ATOM 277 CG2 VAL A 18 -11.461 -2.140 0.404 1.00 1.24 C ATOM 0 H VAL A 18 -9.234 -5.475 0.419 1.00 0.51 H new ATOM 0 HA VAL A 18 -12.069 -4.793 0.980 1.00 0.59 H new ATOM 0 HB VAL A 18 -10.388 -3.272 1.779 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -8.753 -2.231 0.238 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -8.525 -3.990 0.382 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -9.316 -3.311 -1.060 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -10.950 -1.209 0.649 1.00 1.24 H new ATOM 0 HG22 VAL A 18 -11.726 -2.141 -0.653 1.00 1.24 H new ATOM 0 HG23 VAL A 18 -12.366 -2.226 1.005 1.00 1.24 H new ATOM 287 N TRP A 19 -11.609 -3.855 -1.887 1.00 0.63 N ATOM 288 CA TRP A 19 -12.065 -3.971 -3.263 1.00 0.65 C ATOM 289 C TRP A 19 -11.147 -3.232 -4.235 1.00 0.68 C ATOM 290 O TRP A 19 -10.458 -2.292 -3.859 1.00 1.04 O ATOM 291 CB TRP A 19 -13.479 -3.401 -3.351 1.00 0.72 C ATOM 292 CG TRP A 19 -14.469 -4.058 -2.408 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.146 -5.225 -2.616 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.890 -3.584 -1.113 1.00 0.78 C ATOM 295 NE1 TRP A 19 -15.953 -5.503 -1.543 1.00 0.90 N ATOM 296 CE2 TRP A 19 -15.828 -4.508 -0.619 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.577 -2.466 -0.321 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.446 -4.353 0.615 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -15.197 -2.315 0.900 1.00 0.89 C ATOM 300 CH2 TRP A 19 -16.129 -3.243 1.353 1.00 0.96 C ATOM 0 H TRP A 19 -11.308 -2.918 -1.618 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.052 -5.023 -3.546 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.443 -2.333 -3.137 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -13.840 -3.509 -4.374 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.059 -5.841 -3.499 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -16.552 -6.324 -1.451 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.860 -1.735 -0.665 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.153 -5.083 0.981 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.955 -1.461 1.516 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.613 -3.085 2.306 1.00 0.96 H new ATOM 311 N GLU A 20 -11.185 -3.676 -5.480 1.00 0.69 N ATOM 312 CA GLU A 20 -10.389 -3.100 -6.570 1.00 0.77 C ATOM 313 C GLU A 20 -11.264 -3.033 -7.803 1.00 1.18 C ATOM 314 O GLU A 20 -11.950 -4.000 -8.132 1.00 1.81 O ATOM 315 CB GLU A 20 -9.117 -3.929 -6.838 1.00 1.04 C ATOM 316 CG GLU A 20 -8.264 -3.454 -8.009 1.00 1.26 C ATOM 317 CD GLU A 20 -8.640 -4.137 -9.310 1.00 1.90 C ATOM 318 OE1 GLU A 20 -8.411 -5.354 -9.448 1.00 2.42 O ATOM 319 OE2 GLU A 20 -9.189 -3.464 -10.201 1.00 2.62 O ATOM 0 H GLU A 20 -11.774 -4.455 -5.774 1.00 0.69 H new ATOM 0 HA GLU A 20 -10.055 -2.100 -6.293 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -8.503 -3.924 -5.937 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -9.409 -4.964 -7.019 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -8.375 -2.376 -8.122 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -7.213 -3.645 -7.791 1.00 1.26 H new ATOM 326 N GLY A 21 -11.260 -1.885 -8.457 1.00 1.49 N ATOM 327 CA GLY A 21 -12.082 -1.690 -9.639 1.00 1.95 C ATOM 328 C GLY A 21 -13.553 -1.746 -9.297 1.00 2.05 C ATOM 329 O GLY A 21 -14.399 -1.924 -10.174 1.00 2.48 O ATOM 0 H GLY A 21 -10.699 -1.076 -8.191 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -11.848 -0.727 -10.093 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -11.848 -2.456 -10.378 1.00 1.95 H new ATOM 333 N ASP A 22 -13.829 -1.636 -8.005 1.00 2.34 N ATOM 334 CA ASP A 22 -15.190 -1.725 -7.461 1.00 2.75 C ATOM 335 C ASP A 22 -15.747 -3.115 -7.739 1.00 2.43 C ATOM 336 O ASP A 22 -16.961 -3.328 -7.806 1.00 2.85 O ATOM 337 CB ASP A 22 -16.131 -0.666 -8.035 1.00 3.62 C ATOM 338 CG ASP A 22 -17.138 -0.160 -7.004 1.00 4.19 C ATOM 339 OD1 ASP A 22 -16.883 -0.304 -5.784 1.00 4.60 O ATOM 340 OD2 ASP A 22 -18.158 0.438 -7.408 1.00 4.65 O ATOM 0 H ASP A 22 -13.114 -1.481 -7.294 1.00 2.34 H new ATOM 0 HA ASP A 22 -15.127 -1.541 -6.388 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -15.544 0.174 -8.408 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -16.667 -1.084 -8.887 1.00 3.62 H new ATOM 345 N GLU A 23 -14.828 -4.069 -7.872 1.00 2.07 N ATOM 346 CA GLU A 23 -15.157 -5.456 -8.136 1.00 2.37 C ATOM 347 C GLU A 23 -15.240 -6.200 -6.800 1.00 1.70 C ATOM 348 O GLU A 23 -14.999 -5.592 -5.751 1.00 1.86 O ATOM 349 CB GLU A 23 -14.070 -6.092 -9.009 1.00 3.34 C ATOM 350 CG GLU A 23 -13.784 -5.351 -10.304 1.00 4.22 C ATOM 351 CD GLU A 23 -12.573 -5.913 -11.013 1.00 5.12 C ATOM 352 OE1 GLU A 23 -11.898 -6.800 -10.443 1.00 5.52 O ATOM 353 OE2 GLU A 23 -12.275 -5.472 -12.148 1.00 5.78 O ATOM 0 H GLU A 23 -13.826 -3.893 -7.798 1.00 2.07 H new ATOM 0 HA GLU A 23 -16.111 -5.516 -8.660 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -13.148 -6.154 -8.430 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -14.366 -7.113 -9.248 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -14.652 -5.415 -10.960 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -13.623 -4.294 -10.091 1.00 4.22 H new ATOM 360 N PRO A 24 -15.572 -7.511 -6.798 1.00 1.42 N ATOM 361 CA PRO A 24 -15.662 -8.302 -5.560 1.00 1.17 C ATOM 362 C PRO A 24 -14.408 -8.187 -4.694 1.00 0.97 C ATOM 363 O PRO A 24 -13.317 -7.920 -5.206 1.00 1.08 O ATOM 364 CB PRO A 24 -15.817 -9.748 -6.048 1.00 1.65 C ATOM 365 CG PRO A 24 -15.518 -9.720 -7.514 1.00 2.09 C ATOM 366 CD PRO A 24 -15.877 -8.341 -7.980 1.00 2.00 C ATOM 0 HA PRO A 24 -16.485 -7.954 -4.935 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -15.132 -10.413 -5.522 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -16.826 -10.117 -5.862 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -14.466 -9.934 -7.702 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -16.097 -10.475 -8.045 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -15.290 -8.041 -8.848 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -16.927 -8.270 -8.265 1.00 2.00 H new ATOM 374 N PRO A 25 -14.554 -8.382 -3.361 1.00 0.88 N ATOM 375 CA PRO A 25 -13.441 -8.297 -2.418 1.00 0.77 C ATOM 376 C PRO A 25 -12.258 -9.162 -2.833 1.00 0.74 C ATOM 377 O PRO A 25 -12.402 -10.354 -3.142 1.00 0.92 O ATOM 378 CB PRO A 25 -14.043 -8.758 -1.081 1.00 0.92 C ATOM 379 CG PRO A 25 -15.353 -9.379 -1.425 1.00 1.08 C ATOM 380 CD PRO A 25 -15.810 -8.699 -2.679 1.00 1.09 C ATOM 0 HA PRO A 25 -13.031 -7.288 -2.366 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.389 -9.473 -0.582 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.174 -7.917 -0.400 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -15.248 -10.453 -1.578 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.075 -9.241 -0.620 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -16.443 -9.349 -3.282 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -16.389 -7.801 -2.463 1.00 1.09 H new ATOM 388 N LYS A 26 -11.099 -8.532 -2.912 1.00 0.65 N ATOM 389 CA LYS A 26 -9.894 -9.196 -3.355 1.00 0.73 C ATOM 390 C LYS A 26 -8.791 -9.050 -2.316 1.00 0.66 C ATOM 391 O LYS A 26 -8.489 -7.935 -1.891 1.00 0.88 O ATOM 392 CB LYS A 26 -9.478 -8.554 -4.692 1.00 0.95 C ATOM 393 CG LYS A 26 -8.929 -9.521 -5.730 1.00 1.34 C ATOM 394 CD LYS A 26 -8.647 -8.815 -7.059 1.00 1.42 C ATOM 395 CE LYS A 26 -9.915 -8.244 -7.675 1.00 1.61 C ATOM 396 NZ LYS A 26 -9.662 -7.594 -8.987 1.00 2.20 N ATOM 0 H LYS A 26 -10.971 -7.549 -2.671 1.00 0.65 H new ATOM 0 HA LYS A 26 -10.071 -10.263 -3.488 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -10.342 -8.043 -5.116 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.724 -7.793 -4.492 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -8.012 -9.976 -5.356 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -9.643 -10.329 -5.890 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -7.927 -8.012 -6.899 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -8.190 -9.519 -7.755 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -10.646 -9.043 -7.803 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -10.353 -7.518 -6.991 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -10.569 -7.372 -9.445 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -9.124 -6.716 -8.841 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -9.116 -8.238 -9.594 1.00 2.20 H new ATOM 410 N LEU A 27 -8.227 -10.164 -1.867 1.00 0.67 N ATOM 411 CA LEU A 27 -7.169 -10.123 -0.852 1.00 0.65 C ATOM 412 C LEU A 27 -5.958 -9.402 -1.420 1.00 0.67 C ATOM 413 O LEU A 27 -5.608 -9.606 -2.576 1.00 1.02 O ATOM 414 CB LEU A 27 -6.788 -11.547 -0.414 1.00 0.76 C ATOM 415 CG LEU A 27 -5.769 -11.658 0.735 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.319 -11.038 2.002 1.00 1.31 C ATOM 417 CD2 LEU A 27 -5.426 -13.118 0.981 1.00 1.23 C ATOM 0 H LEU A 27 -8.478 -11.101 -2.183 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.532 -9.585 0.024 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.698 -12.068 -0.116 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.387 -12.075 -1.279 1.00 0.76 H new ATOM 0 HG LEU A 27 -4.867 -11.117 0.450 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -5.582 -11.128 2.800 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -6.537 -9.985 1.827 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -7.234 -11.555 2.292 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -4.705 -13.190 1.795 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -6.331 -13.664 1.248 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -4.996 -13.548 0.076 1.00 1.23 H new ATOM 429 N ARG A 28 -5.325 -8.550 -0.625 1.00 0.57 N ATOM 430 CA ARG A 28 -4.162 -7.810 -1.097 1.00 0.59 C ATOM 431 C ARG A 28 -3.193 -7.491 0.035 1.00 0.55 C ATOM 432 O ARG A 28 -3.592 -7.073 1.118 1.00 0.64 O ATOM 433 CB ARG A 28 -4.572 -6.514 -1.789 1.00 0.71 C ATOM 434 CG ARG A 28 -5.397 -5.577 -0.914 1.00 1.41 C ATOM 435 CD ARG A 28 -5.763 -4.300 -1.649 1.00 1.72 C ATOM 436 NE ARG A 28 -6.364 -4.577 -2.951 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.609 -4.988 -3.165 1.00 2.42 C ATOM 438 NH1 ARG A 28 -8.410 -5.322 -2.164 1.00 2.77 N ATOM 439 NH2 ARG A 28 -7.964 -5.297 -4.395 1.00 3.18 N ATOM 0 H ARG A 28 -5.593 -8.355 0.340 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.657 -8.456 -1.815 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -3.674 -5.990 -2.118 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -5.145 -6.758 -2.684 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -6.306 -6.085 -0.593 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -4.834 -5.330 -0.014 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -6.459 -3.719 -1.044 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -4.870 -3.689 -1.783 1.00 1.72 H new ATOM 0 HE ARG A 28 -5.773 -4.442 -3.772 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -8.075 -5.267 -1.202 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -9.362 -5.635 -2.355 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -7.289 -5.218 -5.156 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -8.914 -5.615 -4.587 1.00 3.18 H new ATOM 453 N TYR A 29 -1.907 -7.681 -0.234 1.00 0.55 N ATOM 454 CA TYR A 29 -0.866 -7.398 0.745 1.00 0.59 C ATOM 455 C TYR A 29 -0.162 -6.091 0.389 1.00 0.55 C ATOM 456 O TYR A 29 0.712 -6.050 -0.478 1.00 0.70 O ATOM 457 CB TYR A 29 0.134 -8.555 0.819 1.00 0.71 C ATOM 458 CG TYR A 29 -0.409 -9.787 1.519 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.600 -10.375 1.103 1.00 1.38 C ATOM 460 CD2 TYR A 29 0.257 -10.351 2.613 1.00 1.46 C ATOM 461 CE1 TYR A 29 -2.105 -11.491 1.743 1.00 1.55 C ATOM 462 CE2 TYR A 29 -0.244 -11.465 3.253 1.00 1.63 C ATOM 463 CZ TYR A 29 -1.428 -12.031 2.815 1.00 1.26 C ATOM 464 OH TYR A 29 -1.930 -13.143 3.446 1.00 1.58 O ATOM 0 H TYR A 29 -1.559 -8.032 -1.127 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.325 -7.290 1.728 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.437 -8.827 -0.192 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.029 -8.217 1.340 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.138 -9.953 0.267 1.00 1.38 H new ATOM 0 HD2 TYR A 29 1.178 -9.907 2.961 1.00 1.46 H new ATOM 0 HE1 TYR A 29 -3.028 -11.939 1.404 1.00 1.55 H new ATOM 0 HE2 TYR A 29 0.285 -11.893 4.092 1.00 1.63 H new ATOM 0 HH TYR A 29 -1.334 -13.399 4.181 1.00 1.58 H new ATOM 474 N VAL A 30 -0.587 -5.020 1.046 1.00 0.48 N ATOM 475 CA VAL A 30 -0.057 -3.692 0.802 1.00 0.48 C ATOM 476 C VAL A 30 1.239 -3.420 1.562 1.00 0.49 C ATOM 477 O VAL A 30 1.244 -3.262 2.782 1.00 0.59 O ATOM 478 CB VAL A 30 -1.093 -2.616 1.177 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.548 -1.223 0.894 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.398 -2.858 0.422 1.00 0.65 C ATOM 0 H VAL A 30 -1.311 -5.051 1.764 1.00 0.48 H new ATOM 0 HA VAL A 30 0.165 -3.647 -0.264 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.297 -2.683 2.246 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.295 -0.478 1.166 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.357 -1.060 1.480 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.314 -1.132 -0.167 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.124 -2.092 0.695 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.211 -2.815 -0.651 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.792 -3.840 0.683 1.00 0.65 H new ATOM 490 N PHE A 31 2.331 -3.322 0.815 1.00 0.49 N ATOM 491 CA PHE A 31 3.637 -3.022 1.384 1.00 0.54 C ATOM 492 C PHE A 31 4.000 -1.600 0.980 1.00 0.52 C ATOM 493 O PHE A 31 3.769 -1.214 -0.159 1.00 0.56 O ATOM 494 CB PHE A 31 4.701 -4.001 0.869 1.00 0.61 C ATOM 495 CG PHE A 31 4.308 -5.442 0.984 1.00 0.61 C ATOM 496 CD1 PHE A 31 4.120 -6.017 2.224 1.00 1.22 C ATOM 497 CD2 PHE A 31 4.138 -6.214 -0.149 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.772 -7.345 2.341 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.789 -7.541 -0.042 1.00 1.49 C ATOM 500 CZ PHE A 31 3.605 -8.110 1.205 1.00 0.85 C ATOM 0 H PHE A 31 2.336 -3.448 -0.197 1.00 0.49 H new ATOM 0 HA PHE A 31 3.599 -3.121 2.469 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.913 -3.775 -0.176 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.626 -3.842 1.424 1.00 0.61 H new ATOM 0 HD1 PHE A 31 4.247 -5.419 3.114 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.280 -5.773 -1.125 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.631 -7.785 3.317 1.00 1.30 H new ATOM 0 HE2 PHE A 31 3.659 -8.138 -0.932 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.331 -9.151 1.289 1.00 0.85 H new ATOM 510 N LEU A 32 4.546 -0.820 1.901 1.00 0.57 N ATOM 511 CA LEU A 32 4.897 0.557 1.604 1.00 0.59 C ATOM 512 C LEU A 32 6.311 0.865 2.058 1.00 0.67 C ATOM 513 O LEU A 32 6.714 0.575 3.181 1.00 0.84 O ATOM 514 CB LEU A 32 3.837 1.481 2.210 1.00 0.74 C ATOM 515 CG LEU A 32 4.251 2.854 2.739 1.00 0.98 C ATOM 516 CD1 LEU A 32 4.885 3.712 1.654 1.00 1.43 C ATOM 517 CD2 LEU A 32 3.051 3.590 3.319 1.00 1.10 C ATOM 0 H LEU A 32 4.754 -1.117 2.855 1.00 0.57 H new ATOM 0 HA LEU A 32 4.899 0.727 0.527 1.00 0.59 H new ATOM 0 HB2 LEU A 32 3.070 1.640 1.452 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.365 0.943 3.032 1.00 0.74 H new ATOM 0 HG LEU A 32 4.991 2.682 3.520 1.00 0.98 H new ATOM 0 HD11 LEU A 32 5.165 4.679 2.072 1.00 1.43 H new ATOM 0 HD12 LEU A 32 5.774 3.213 1.268 1.00 1.43 H new ATOM 0 HD13 LEU A 32 4.171 3.860 0.843 1.00 1.43 H new ATOM 0 HD21 LEU A 32 3.367 4.565 3.690 1.00 1.10 H new ATOM 0 HD22 LEU A 32 2.297 3.724 2.544 1.00 1.10 H new ATOM 0 HD23 LEU A 32 2.629 3.009 4.139 1.00 1.10 H new ATOM 529 N PHE A 33 7.059 1.437 1.136 1.00 0.75 N ATOM 530 CA PHE A 33 8.463 1.790 1.368 1.00 0.96 C ATOM 531 C PHE A 33 8.690 3.282 1.114 1.00 1.08 C ATOM 532 O PHE A 33 7.798 3.983 0.643 1.00 1.56 O ATOM 533 CB PHE A 33 9.378 1.003 0.424 1.00 1.17 C ATOM 534 CG PHE A 33 9.031 -0.449 0.256 1.00 1.36 C ATOM 535 CD1 PHE A 33 9.038 -1.328 1.335 1.00 1.79 C ATOM 536 CD2 PHE A 33 8.696 -0.942 -0.997 1.00 2.01 C ATOM 537 CE1 PHE A 33 8.726 -2.661 1.155 1.00 2.06 C ATOM 538 CE2 PHE A 33 8.376 -2.266 -1.161 1.00 2.28 C ATOM 539 CZ PHE A 33 8.375 -3.118 -0.086 1.00 2.01 C ATOM 0 H PHE A 33 6.720 1.674 0.203 1.00 0.75 H new ATOM 0 HA PHE A 33 8.697 1.547 2.405 1.00 0.96 H new ATOM 0 HB2 PHE A 33 9.358 1.480 -0.556 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.401 1.075 0.793 1.00 1.17 H new ATOM 0 HD1 PHE A 33 9.289 -0.965 2.321 1.00 1.79 H new ATOM 0 HD2 PHE A 33 8.687 -0.279 -1.849 1.00 2.01 H new ATOM 0 HE1 PHE A 33 8.759 -3.342 1.993 1.00 2.06 H new ATOM 0 HE2 PHE A 33 8.123 -2.640 -2.142 1.00 2.28 H new ATOM 0 HZ PHE A 33 8.096 -4.153 -0.220 1.00 2.01 H new ATOM 549 N ARG A 34 9.892 3.778 1.398 1.00 1.04 N ATOM 550 CA ARG A 34 10.198 5.185 1.144 1.00 1.17 C ATOM 551 C ARG A 34 10.714 5.345 -0.289 1.00 1.03 C ATOM 552 O ARG A 34 11.872 5.707 -0.521 1.00 1.87 O ATOM 553 CB ARG A 34 11.220 5.730 2.154 1.00 1.83 C ATOM 554 CG ARG A 34 11.357 7.240 2.110 1.00 2.51 C ATOM 555 CD ARG A 34 12.596 7.732 2.851 1.00 3.05 C ATOM 556 NE ARG A 34 12.977 9.065 2.397 1.00 3.66 N ATOM 557 CZ ARG A 34 13.987 9.771 2.905 1.00 4.29 C ATOM 558 NH1 ARG A 34 14.716 9.285 3.896 1.00 4.48 N ATOM 559 NH2 ARG A 34 14.303 10.928 2.363 1.00 5.12 N ATOM 0 H ARG A 34 10.659 3.238 1.798 1.00 1.04 H new ATOM 0 HA ARG A 34 9.283 5.766 1.265 1.00 1.17 H new ATOM 0 HB2 ARG A 34 10.925 5.428 3.159 1.00 1.83 H new ATOM 0 HB3 ARG A 34 12.192 5.278 1.958 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.404 7.568 1.072 1.00 2.51 H new ATOM 0 HG3 ARG A 34 10.469 7.696 2.549 1.00 2.51 H new ATOM 0 HD2 ARG A 34 12.400 7.750 3.923 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.421 7.038 2.689 1.00 3.05 H new ATOM 0 HE ARG A 34 12.435 9.484 1.641 1.00 3.66 H new ATOM 0 HH11 ARG A 34 14.507 8.363 4.278 1.00 4.48 H new ATOM 0 HH12 ARG A 34 15.487 9.833 4.278 1.00 4.48 H new ATOM 0 HH21 ARG A 34 13.777 11.277 1.562 1.00 5.12 H new ATOM 0 HH22 ARG A 34 15.074 11.476 2.744 1.00 5.12 H new ATOM 573 N ASN A 35 9.833 5.056 -1.236 1.00 0.98 N ATOM 574 CA ASN A 35 10.143 5.129 -2.657 1.00 1.38 C ATOM 575 C ASN A 35 8.873 4.949 -3.456 1.00 1.09 C ATOM 576 O ASN A 35 8.614 5.670 -4.428 1.00 1.24 O ATOM 577 CB ASN A 35 11.154 4.046 -3.050 1.00 2.08 C ATOM 578 CG ASN A 35 11.335 3.921 -4.554 1.00 2.84 C ATOM 579 OD1 ASN A 35 11.626 4.900 -5.228 1.00 3.26 O ATOM 580 ND2 ASN A 35 11.170 2.717 -5.083 1.00 3.64 N ATOM 0 H ASN A 35 8.876 4.762 -1.039 1.00 0.98 H new ATOM 0 HA ASN A 35 10.581 6.104 -2.869 1.00 1.38 H new ATOM 0 HB2 ASN A 35 12.117 4.272 -2.591 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.826 3.087 -2.648 1.00 2.08 H new ATOM 0 HD21 ASN A 35 11.286 2.581 -6.087 1.00 3.64 H new ATOM 0 HD22 ASN A 35 10.928 1.926 -4.486 1.00 3.64 H new ATOM 587 N LYS A 36 8.080 3.981 -3.030 1.00 0.89 N ATOM 588 CA LYS A 36 6.826 3.680 -3.685 1.00 0.69 C ATOM 589 C LYS A 36 6.050 2.644 -2.879 1.00 0.66 C ATOM 590 O LYS A 36 6.527 2.156 -1.847 1.00 0.77 O ATOM 591 CB LYS A 36 7.077 3.153 -5.099 1.00 0.80 C ATOM 592 CG LYS A 36 7.871 1.864 -5.148 1.00 1.05 C ATOM 593 CD LYS A 36 7.694 1.161 -6.488 1.00 1.32 C ATOM 594 CE LYS A 36 8.165 2.010 -7.656 1.00 1.84 C ATOM 595 NZ LYS A 36 7.985 1.287 -8.947 1.00 2.23 N ATOM 0 H LYS A 36 8.288 3.388 -2.227 1.00 0.89 H new ATOM 0 HA LYS A 36 6.239 4.596 -3.749 1.00 0.69 H new ATOM 0 HB2 LYS A 36 6.118 2.995 -5.592 1.00 0.80 H new ATOM 0 HB3 LYS A 36 7.607 3.915 -5.670 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.927 2.077 -4.983 1.00 1.05 H new ATOM 0 HG3 LYS A 36 7.549 1.204 -4.342 1.00 1.05 H new ATOM 0 HD2 LYS A 36 8.248 0.222 -6.478 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.643 0.909 -6.627 1.00 1.32 H new ATOM 0 HE2 LYS A 36 7.607 2.946 -7.678 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.216 2.268 -7.523 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 8.282 1.900 -9.733 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 8.563 0.423 -8.944 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 6.984 1.033 -9.066 1.00 2.23 H new ATOM 609 N ILE A 37 4.867 2.309 -3.356 1.00 0.61 N ATOM 610 CA ILE A 37 4.039 1.327 -2.693 1.00 0.60 C ATOM 611 C ILE A 37 3.973 0.052 -3.533 1.00 0.54 C ATOM 612 O ILE A 37 3.914 0.116 -4.760 1.00 0.75 O ATOM 613 CB ILE A 37 2.608 1.861 -2.455 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.654 3.075 -1.537 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.728 0.766 -1.869 1.00 0.79 C ATOM 616 CD1 ILE A 37 1.293 3.723 -1.338 1.00 1.01 C ATOM 0 H ILE A 37 4.459 2.705 -4.203 1.00 0.61 H new ATOM 0 HA ILE A 37 4.488 1.111 -1.724 1.00 0.60 H new ATOM 0 HB ILE A 37 2.176 2.167 -3.408 1.00 0.73 H new ATOM 0 HG12 ILE A 37 3.053 2.775 -0.568 1.00 0.85 H new ATOM 0 HG13 ILE A 37 3.343 3.811 -1.951 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.723 1.155 -1.706 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.684 -0.075 -2.561 1.00 0.79 H new ATOM 0 HG23 ILE A 37 2.146 0.432 -0.919 1.00 0.79 H new ATOM 0 HD11 ILE A 37 1.393 4.582 -0.674 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.902 4.052 -2.301 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.607 3.000 -0.896 1.00 1.01 H new ATOM 628 N MET A 38 3.979 -1.101 -2.868 1.00 0.51 N ATOM 629 CA MET A 38 3.905 -2.399 -3.534 1.00 0.59 C ATOM 630 C MET A 38 2.835 -3.272 -2.903 1.00 0.60 C ATOM 631 O MET A 38 2.988 -3.749 -1.784 1.00 0.98 O ATOM 632 CB MET A 38 5.251 -3.134 -3.464 1.00 0.75 C ATOM 633 CG MET A 38 6.327 -2.562 -4.378 1.00 1.40 C ATOM 634 SD MET A 38 6.036 -3.007 -6.103 1.00 1.72 S ATOM 635 CE MET A 38 7.572 -2.472 -6.835 1.00 2.53 C ATOM 0 H MET A 38 4.035 -1.162 -1.851 1.00 0.51 H new ATOM 0 HA MET A 38 3.652 -2.211 -4.577 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.613 -3.108 -2.436 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.093 -4.182 -3.720 1.00 0.75 H new ATOM 0 HG2 MET A 38 6.350 -1.477 -4.280 1.00 1.40 H new ATOM 0 HG3 MET A 38 7.304 -2.931 -4.066 1.00 1.40 H new ATOM 0 HE1 MET A 38 7.373 -1.690 -7.568 1.00 2.53 H new ATOM 0 HE2 MET A 38 8.229 -2.082 -6.058 1.00 2.53 H new ATOM 0 HE3 MET A 38 8.054 -3.317 -7.327 1.00 2.53 H new ATOM 645 N PHE A 39 1.746 -3.471 -3.619 1.00 0.61 N ATOM 646 CA PHE A 39 0.658 -4.297 -3.118 1.00 0.71 C ATOM 647 C PHE A 39 0.369 -5.470 -4.052 1.00 0.72 C ATOM 648 O PHE A 39 0.167 -5.299 -5.262 1.00 1.08 O ATOM 649 CB PHE A 39 -0.589 -3.436 -2.891 1.00 1.11 C ATOM 650 CG PHE A 39 -1.296 -2.982 -4.143 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.683 -2.118 -5.048 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.580 -3.418 -4.414 1.00 1.32 C ATOM 653 CE1 PHE A 39 -1.345 -1.711 -6.192 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.240 -3.007 -5.560 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.618 -2.153 -6.445 1.00 1.57 C ATOM 0 H PHE A 39 1.588 -3.075 -4.546 1.00 0.61 H new ATOM 0 HA PHE A 39 0.960 -4.725 -2.162 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.294 -4.000 -2.280 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.303 -2.556 -2.316 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.318 -1.763 -4.854 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -3.074 -4.087 -3.724 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -0.858 -1.044 -6.888 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.242 -3.356 -5.760 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.133 -1.832 -7.338 1.00 1.57 H new ATOM 665 N THR A 40 0.383 -6.672 -3.486 1.00 0.63 N ATOM 666 CA THR A 40 0.149 -7.884 -4.249 1.00 0.74 C ATOM 667 C THR A 40 -1.300 -8.369 -4.130 1.00 0.84 C ATOM 668 O THR A 40 -1.802 -8.620 -3.029 1.00 1.16 O ATOM 669 CB THR A 40 1.119 -8.973 -3.790 1.00 0.98 C ATOM 670 OG1 THR A 40 1.206 -9.015 -2.373 1.00 1.45 O ATOM 671 CG2 THR A 40 2.516 -8.791 -4.334 1.00 1.35 C ATOM 0 H THR A 40 0.556 -6.829 -2.493 1.00 0.63 H new ATOM 0 HA THR A 40 0.323 -7.659 -5.301 1.00 0.74 H new ATOM 0 HB THR A 40 0.711 -9.905 -4.181 1.00 0.98 H new ATOM 0 HG1 THR A 40 1.831 -9.720 -2.104 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.155 -9.596 -3.971 1.00 1.35 H new ATOM 0 HG22 THR A 40 2.488 -8.813 -5.423 1.00 1.35 H new ATOM 0 HG23 THR A 40 2.914 -7.833 -4.000 1.00 1.35 H new ATOM 679 N GLU A 41 -1.962 -8.492 -5.274 1.00 1.04 N ATOM 680 CA GLU A 41 -3.344 -8.937 -5.332 1.00 1.27 C ATOM 681 C GLU A 41 -3.456 -10.469 -5.271 1.00 1.20 C ATOM 682 O GLU A 41 -2.679 -11.195 -5.895 1.00 1.66 O ATOM 683 CB GLU A 41 -3.982 -8.437 -6.627 1.00 1.89 C ATOM 684 CG GLU A 41 -4.142 -6.924 -6.703 1.00 2.55 C ATOM 685 CD GLU A 41 -5.178 -6.389 -5.733 1.00 3.05 C ATOM 686 OE1 GLU A 41 -6.357 -6.801 -5.823 1.00 3.56 O ATOM 687 OE2 GLU A 41 -4.828 -5.538 -4.895 1.00 3.46 O ATOM 0 H GLU A 41 -1.554 -8.286 -6.186 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.864 -8.528 -4.466 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -3.375 -8.769 -7.469 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -4.962 -8.900 -6.738 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -3.181 -6.452 -6.497 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -4.424 -6.644 -7.718 1.00 2.55 H new ATOM 694 N GLN A 42 -4.458 -10.938 -4.541 1.00 1.08 N ATOM 695 CA GLN A 42 -4.753 -12.358 -4.400 1.00 1.24 C ATOM 696 C GLN A 42 -6.250 -12.554 -4.569 1.00 1.37 C ATOM 697 O GLN A 42 -7.043 -12.019 -3.802 1.00 1.84 O ATOM 698 CB GLN A 42 -4.306 -12.915 -3.040 1.00 1.58 C ATOM 699 CG GLN A 42 -2.807 -13.199 -2.952 1.00 2.34 C ATOM 700 CD GLN A 42 -2.415 -13.950 -1.692 1.00 2.87 C ATOM 701 OE1 GLN A 42 -3.018 -14.966 -1.339 1.00 3.26 O ATOM 702 NE2 GLN A 42 -1.380 -13.479 -1.028 1.00 3.46 N ATOM 0 H GLN A 42 -5.098 -10.336 -4.023 1.00 1.08 H new ATOM 0 HA GLN A 42 -4.198 -12.903 -5.164 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -4.578 -12.204 -2.260 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -4.853 -13.836 -2.837 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -2.502 -13.779 -3.823 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -2.262 -12.256 -2.990 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -0.907 -12.635 -1.352 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -1.051 -13.958 -0.190 1.00 3.46 H new ATOM 711 N ASP A 43 -6.640 -13.299 -5.585 1.00 1.32 N ATOM 712 CA ASP A 43 -8.041 -13.532 -5.852 1.00 1.60 C ATOM 713 C ASP A 43 -8.431 -14.920 -5.412 1.00 1.62 C ATOM 714 O ASP A 43 -8.081 -15.910 -6.070 1.00 1.97 O ATOM 715 CB ASP A 43 -8.338 -13.353 -7.348 1.00 2.08 C ATOM 716 CG ASP A 43 -9.821 -13.206 -7.654 1.00 2.50 C ATOM 717 OD1 ASP A 43 -10.632 -13.131 -6.706 1.00 2.87 O ATOM 718 OD2 ASP A 43 -10.173 -13.163 -8.848 1.00 2.96 O ATOM 0 H ASP A 43 -6.003 -13.753 -6.239 1.00 1.32 H new ATOM 0 HA ASP A 43 -8.626 -12.805 -5.289 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -7.810 -12.472 -7.713 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -7.945 -14.210 -7.894 1.00 2.08 H new ATOM 723 N ALA A 44 -9.152 -14.964 -4.290 1.00 1.87 N ATOM 724 CA ALA A 44 -9.659 -16.191 -3.695 1.00 2.28 C ATOM 725 C ALA A 44 -8.574 -17.026 -3.006 1.00 2.75 C ATOM 726 O ALA A 44 -8.869 -18.104 -2.491 1.00 3.39 O ATOM 727 CB ALA A 44 -10.403 -17.034 -4.725 1.00 2.82 C ATOM 0 H ALA A 44 -9.402 -14.127 -3.763 1.00 1.87 H new ATOM 0 HA ALA A 44 -10.356 -15.879 -2.917 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -10.771 -17.945 -4.253 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -11.244 -16.465 -5.121 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -9.726 -17.295 -5.539 1.00 2.82 H new ATOM 861 N TYR A 54 -0.241 -5.284 -11.374 1.00 2.10 N ATOM 862 CA TYR A 54 -0.435 -4.297 -10.307 1.00 2.00 C ATOM 863 C TYR A 54 0.873 -4.102 -9.533 1.00 1.62 C ATOM 864 O TYR A 54 1.932 -3.926 -10.137 1.00 1.96 O ATOM 865 CB TYR A 54 -1.546 -4.726 -9.340 1.00 2.78 C ATOM 866 CG TYR A 54 -2.911 -4.831 -9.974 1.00 3.45 C ATOM 867 CD1 TYR A 54 -3.501 -3.752 -10.632 1.00 3.89 C ATOM 868 CD2 TYR A 54 -3.628 -6.012 -9.893 1.00 4.24 C ATOM 869 CE1 TYR A 54 -4.758 -3.858 -11.196 1.00 4.87 C ATOM 870 CE2 TYR A 54 -4.877 -6.130 -10.455 1.00 5.15 C ATOM 871 CZ TYR A 54 -5.442 -5.051 -11.101 1.00 5.40 C ATOM 872 OH TYR A 54 -6.685 -5.168 -11.657 1.00 6.50 O ATOM 0 HA TYR A 54 -0.733 -3.357 -10.771 1.00 2.00 H new ATOM 0 HB2 TYR A 54 -1.283 -5.692 -8.908 1.00 2.78 H new ATOM 0 HB3 TYR A 54 -1.593 -4.011 -8.518 1.00 2.78 H new ATOM 0 HD1 TYR A 54 -2.966 -2.817 -10.702 1.00 3.89 H new ATOM 0 HD2 TYR A 54 -3.198 -6.858 -9.378 1.00 4.24 H new ATOM 0 HE1 TYR A 54 -5.200 -3.015 -11.706 1.00 4.87 H new ATOM 0 HE2 TYR A 54 -5.414 -7.065 -10.391 1.00 5.15 H new ATOM 0 HH TYR A 54 -7.337 -5.383 -10.958 1.00 6.50 H new ATOM 882 N SER A 55 0.781 -4.175 -8.210 1.00 1.34 N ATOM 883 CA SER A 55 1.930 -4.060 -7.313 1.00 1.50 C ATOM 884 C SER A 55 2.587 -2.676 -7.319 1.00 1.20 C ATOM 885 O SER A 55 2.562 -1.973 -6.307 1.00 1.33 O ATOM 886 CB SER A 55 2.962 -5.137 -7.653 1.00 2.13 C ATOM 887 OG SER A 55 2.331 -6.402 -7.806 1.00 2.61 O ATOM 0 H SER A 55 -0.103 -4.317 -7.722 1.00 1.34 H new ATOM 0 HA SER A 55 1.548 -4.205 -6.303 1.00 1.50 H new ATOM 0 HB2 SER A 55 3.484 -4.871 -8.572 1.00 2.13 H new ATOM 0 HB3 SER A 55 3.712 -5.192 -6.864 1.00 2.13 H new ATOM 0 HG SER A 55 3.005 -7.079 -8.025 1.00 2.61 H new ATOM 893 N SER A 56 3.223 -2.319 -8.425 1.00 1.07 N ATOM 894 CA SER A 56 3.936 -1.059 -8.528 1.00 0.91 C ATOM 895 C SER A 56 3.026 0.175 -8.492 1.00 0.80 C ATOM 896 O SER A 56 2.256 0.440 -9.417 1.00 0.93 O ATOM 897 CB SER A 56 4.778 -1.034 -9.802 1.00 1.09 C ATOM 898 OG SER A 56 5.667 0.069 -9.794 1.00 1.73 O ATOM 0 H SER A 56 3.258 -2.891 -9.269 1.00 1.07 H new ATOM 0 HA SER A 56 4.573 -1.003 -7.645 1.00 0.91 H new ATOM 0 HB2 SER A 56 5.343 -1.962 -9.888 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.126 -0.975 -10.674 1.00 1.09 H new ATOM 0 HG SER A 56 6.199 0.067 -10.617 1.00 1.73 H new ATOM 904 N ILE A 57 3.178 0.952 -7.439 1.00 0.68 N ATOM 905 CA ILE A 57 2.448 2.187 -7.269 1.00 0.67 C ATOM 906 C ILE A 57 3.467 3.310 -7.182 1.00 0.63 C ATOM 907 O ILE A 57 4.471 3.169 -6.496 1.00 0.81 O ATOM 908 CB ILE A 57 1.574 2.164 -5.989 1.00 0.76 C ATOM 909 CG1 ILE A 57 0.421 1.166 -6.140 1.00 0.92 C ATOM 910 CG2 ILE A 57 1.024 3.548 -5.663 1.00 0.82 C ATOM 911 CD1 ILE A 57 -0.603 1.566 -7.184 1.00 0.81 C ATOM 0 H ILE A 57 3.817 0.741 -6.673 1.00 0.68 H new ATOM 0 HA ILE A 57 1.773 2.331 -8.113 1.00 0.67 H new ATOM 0 HB ILE A 57 2.212 1.849 -5.164 1.00 0.76 H new ATOM 0 HG12 ILE A 57 0.830 0.190 -6.401 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -0.079 1.055 -5.178 1.00 0.92 H new ATOM 0 HG21 ILE A 57 0.416 3.494 -4.760 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.851 4.240 -5.503 1.00 0.82 H new ATOM 0 HG23 ILE A 57 0.411 3.901 -6.493 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -1.387 0.811 -7.233 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.041 2.527 -6.915 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -0.118 1.648 -8.157 1.00 0.81 H new ATOM 923 N ARG A 58 3.223 4.425 -7.845 1.00 0.66 N ATOM 924 CA ARG A 58 4.159 5.521 -7.780 1.00 0.73 C ATOM 925 C ARG A 58 3.445 6.742 -7.225 1.00 0.75 C ATOM 926 O ARG A 58 2.415 7.177 -7.743 1.00 0.91 O ATOM 927 CB ARG A 58 4.810 5.774 -9.146 1.00 0.96 C ATOM 928 CG ARG A 58 4.061 6.740 -10.045 1.00 1.24 C ATOM 929 CD ARG A 58 4.001 6.225 -11.465 1.00 1.86 C ATOM 930 NE ARG A 58 3.906 7.307 -12.451 1.00 2.47 N ATOM 931 CZ ARG A 58 3.702 7.117 -13.751 1.00 2.95 C ATOM 932 NH1 ARG A 58 3.938 5.927 -14.280 1.00 3.22 N ATOM 933 NH2 ARG A 58 3.596 8.165 -14.547 1.00 3.70 N ATOM 0 H ARG A 58 2.399 4.591 -8.423 1.00 0.66 H new ATOM 0 HA ARG A 58 4.980 5.274 -7.106 1.00 0.73 H new ATOM 0 HB2 ARG A 58 5.818 6.157 -8.986 1.00 0.96 H new ATOM 0 HB3 ARG A 58 4.910 4.821 -9.666 1.00 0.96 H new ATOM 0 HG2 ARG A 58 3.050 6.886 -9.665 1.00 1.24 H new ATOM 0 HG3 ARG A 58 4.552 7.713 -10.028 1.00 1.24 H new ATOM 0 HD2 ARG A 58 4.890 5.628 -11.670 1.00 1.86 H new ATOM 0 HD3 ARG A 58 3.141 5.563 -11.572 1.00 1.86 H new ATOM 0 HE ARG A 58 4.003 8.266 -12.118 1.00 2.47 H new ATOM 0 HH11 ARG A 58 4.274 5.165 -13.691 1.00 3.22 H new ATOM 0 HH12 ARG A 58 3.784 5.772 -15.276 1.00 3.22 H new ATOM 0 HH21 ARG A 58 3.671 9.107 -14.163 1.00 3.70 H new ATOM 0 HH22 ARG A 58 3.439 8.033 -15.546 1.00 3.70 H new ATOM 947 N LEU A 59 3.970 7.240 -6.123 1.00 0.85 N ATOM 948 CA LEU A 59 3.384 8.367 -5.410 1.00 1.02 C ATOM 949 C LEU A 59 3.501 9.697 -6.149 1.00 1.15 C ATOM 950 O LEU A 59 3.030 10.720 -5.656 1.00 1.59 O ATOM 951 CB LEU A 59 4.044 8.496 -4.038 1.00 1.28 C ATOM 952 CG LEU A 59 3.455 7.625 -2.925 1.00 1.35 C ATOM 953 CD1 LEU A 59 3.673 6.142 -3.205 1.00 1.35 C ATOM 954 CD2 LEU A 59 4.080 8.002 -1.589 1.00 1.79 C ATOM 0 H LEU A 59 4.819 6.875 -5.692 1.00 0.85 H new ATOM 0 HA LEU A 59 2.319 8.154 -5.321 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.101 8.253 -4.141 1.00 1.28 H new ATOM 0 HB3 LEU A 59 3.986 9.539 -3.725 1.00 1.28 H new ATOM 0 HG LEU A 59 2.380 7.804 -2.887 1.00 1.35 H new ATOM 0 HD11 LEU A 59 3.243 5.552 -2.396 1.00 1.35 H new ATOM 0 HD12 LEU A 59 3.191 5.874 -4.145 1.00 1.35 H new ATOM 0 HD13 LEU A 59 4.741 5.938 -3.275 1.00 1.35 H new ATOM 0 HD21 LEU A 59 3.657 7.379 -0.801 1.00 1.79 H new ATOM 0 HD22 LEU A 59 5.158 7.847 -1.635 1.00 1.79 H new ATOM 0 HD23 LEU A 59 3.873 9.050 -1.373 1.00 1.79 H new ATOM 966 N ASP A 60 4.146 9.710 -7.303 1.00 1.13 N ATOM 967 CA ASP A 60 4.329 10.952 -8.032 1.00 1.33 C ATOM 968 C ASP A 60 3.114 11.343 -8.889 1.00 1.33 C ATOM 969 O ASP A 60 2.876 12.530 -9.102 1.00 1.56 O ATOM 970 CB ASP A 60 5.566 10.840 -8.921 1.00 1.46 C ATOM 971 CG ASP A 60 5.827 12.095 -9.717 1.00 1.90 C ATOM 972 OD1 ASP A 60 6.086 13.156 -9.116 1.00 2.52 O ATOM 973 OD2 ASP A 60 5.772 12.018 -10.959 1.00 2.27 O ATOM 0 H ASP A 60 4.547 8.886 -7.750 1.00 1.13 H new ATOM 0 HA ASP A 60 4.453 11.739 -7.288 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.435 10.621 -8.301 1.00 1.46 H new ATOM 0 HB3 ASP A 60 5.442 10.000 -9.605 1.00 1.46 H new ATOM 978 N LYS A 61 2.368 10.379 -9.418 1.00 1.22 N ATOM 979 CA LYS A 61 1.238 10.734 -10.282 1.00 1.28 C ATOM 980 C LYS A 61 -0.126 10.184 -9.834 1.00 1.06 C ATOM 981 O LYS A 61 -1.146 10.545 -10.425 1.00 1.27 O ATOM 982 CB LYS A 61 1.526 10.346 -11.731 1.00 1.60 C ATOM 983 CG LYS A 61 2.256 11.451 -12.487 1.00 1.93 C ATOM 984 CD LYS A 61 1.454 12.754 -12.486 1.00 2.55 C ATOM 985 CE LYS A 61 2.241 13.911 -13.083 1.00 3.16 C ATOM 986 NZ LYS A 61 2.508 13.729 -14.535 1.00 3.92 N ATOM 0 H LYS A 61 2.513 9.380 -9.274 1.00 1.22 H new ATOM 0 HA LYS A 61 1.147 11.817 -10.196 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.127 9.437 -11.750 1.00 1.60 H new ATOM 0 HB3 LYS A 61 0.588 10.119 -12.238 1.00 1.60 H new ATOM 0 HG2 LYS A 61 3.231 11.622 -12.031 1.00 1.93 H new ATOM 0 HG3 LYS A 61 2.435 11.134 -13.514 1.00 1.93 H new ATOM 0 HD2 LYS A 61 0.533 12.613 -13.052 1.00 2.55 H new ATOM 0 HD3 LYS A 61 1.166 13.001 -11.464 1.00 2.55 H new ATOM 0 HE2 LYS A 61 1.688 14.838 -12.932 1.00 3.16 H new ATOM 0 HE3 LYS A 61 3.188 14.014 -12.553 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 3.046 14.543 -14.894 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 3.059 12.859 -14.680 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 1.606 13.658 -15.048 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.185 9.350 -8.793 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.476 8.837 -8.339 1.00 0.69 C ATOM 1002 C TYR A 62 -2.009 9.763 -7.257 1.00 0.67 C ATOM 1003 O TYR A 62 -1.262 10.195 -6.381 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.382 7.388 -7.813 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.054 7.263 -6.344 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.232 7.412 -5.886 1.00 1.49 C ATOM 1007 CD2 TYR A 62 -2.057 7.028 -5.415 1.00 1.46 C ATOM 1008 CE1 TYR A 62 0.532 7.323 -4.535 1.00 1.84 C ATOM 1009 CE2 TYR A 62 -1.767 6.925 -4.068 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.474 7.072 -3.631 1.00 1.66 C ATOM 1011 OH TYR A 62 -0.189 6.993 -2.283 1.00 2.21 O ATOM 0 H TYR A 62 0.623 9.024 -8.262 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.157 8.812 -9.190 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.331 6.886 -8.002 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.621 6.858 -8.386 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.026 7.602 -6.593 1.00 1.49 H new ATOM 0 HD2 TYR A 62 -3.079 6.924 -5.749 1.00 1.46 H new ATOM 0 HE1 TYR A 62 1.549 7.450 -4.195 1.00 1.84 H new ATOM 0 HE2 TYR A 62 -2.558 6.729 -3.359 1.00 1.79 H new ATOM 0 HH TYR A 62 -0.580 6.174 -1.913 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.294 10.066 -7.329 1.00 0.64 N ATOM 1022 CA ASN A 63 -3.926 10.936 -6.362 1.00 0.73 C ATOM 1023 C ASN A 63 -4.549 10.055 -5.306 1.00 0.64 C ATOM 1024 O ASN A 63 -5.081 8.997 -5.619 1.00 0.73 O ATOM 1025 CB ASN A 63 -4.982 11.839 -7.026 1.00 0.89 C ATOM 1026 CG ASN A 63 -4.370 12.829 -7.997 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -3.701 12.437 -8.949 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -4.603 14.111 -7.773 1.00 2.13 N ATOM 0 H ASN A 63 -3.921 9.717 -8.054 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.189 11.603 -5.916 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -5.707 11.218 -7.553 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -5.528 12.382 -6.255 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -4.221 14.816 -8.403 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -5.164 14.395 -6.970 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.458 10.454 -4.064 1.00 0.74 N ATOM 1036 CA ILE A 64 -5.011 9.641 -3.000 1.00 0.70 C ATOM 1037 C ILE A 64 -5.933 10.453 -2.093 1.00 0.79 C ATOM 1038 O ILE A 64 -5.716 11.649 -1.872 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.897 8.938 -2.179 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -4.481 7.734 -1.447 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -3.240 9.889 -1.189 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -3.435 6.891 -0.774 1.00 1.18 C ATOM 0 H ILE A 64 -4.015 11.322 -3.762 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.613 8.864 -3.472 1.00 0.70 H new ATOM 0 HB ILE A 64 -3.125 8.605 -2.873 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -5.195 8.081 -0.700 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -5.035 7.118 -2.156 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -2.466 9.359 -0.634 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.792 10.724 -1.729 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.990 10.267 -0.494 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -3.913 6.051 -0.271 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -2.734 6.516 -1.520 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -2.897 7.494 -0.042 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.965 9.784 -1.599 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.968 10.389 -0.725 1.00 0.80 C ATOM 1056 C ARG A 65 -8.479 9.340 0.260 1.00 0.68 C ATOM 1057 O ARG A 65 -7.975 8.224 0.303 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.161 10.917 -1.546 1.00 0.97 C ATOM 1059 CG ARG A 65 -8.849 12.100 -2.439 1.00 1.24 C ATOM 1060 CD ARG A 65 -8.756 13.401 -1.647 1.00 1.78 C ATOM 1061 NE ARG A 65 -8.580 14.554 -2.519 1.00 2.20 N ATOM 1062 CZ ARG A 65 -8.525 15.802 -2.081 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -9.080 16.101 -0.920 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -8.287 16.774 -2.939 1.00 3.57 N ATOM 0 H ARG A 65 -7.134 8.797 -1.793 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.505 11.220 -0.193 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.545 10.105 -2.164 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.959 11.200 -0.859 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -7.908 11.924 -2.960 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -9.622 12.193 -3.201 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -9.660 13.530 -1.052 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -7.921 13.343 -0.949 1.00 1.78 H new ATOM 0 HE ARG A 65 -8.494 14.391 -3.522 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -9.543 15.374 -0.374 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -9.045 17.058 -0.570 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -8.148 16.560 -3.927 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -8.242 17.740 -2.615 1.00 3.57 H new ATOM 1078 N GLN A 66 -9.504 9.685 1.014 1.00 0.82 N ATOM 1079 CA GLN A 66 -10.112 8.759 1.962 1.00 0.83 C ATOM 1080 C GLN A 66 -11.562 9.167 2.180 1.00 0.99 C ATOM 1081 O GLN A 66 -11.916 10.336 2.026 1.00 1.30 O ATOM 1082 CB GLN A 66 -9.376 8.749 3.304 1.00 0.97 C ATOM 1083 CG GLN A 66 -9.257 10.118 3.931 1.00 1.30 C ATOM 1084 CD GLN A 66 -8.754 10.075 5.358 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -8.365 11.105 5.919 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -8.788 8.903 5.980 1.00 2.45 N ATOM 0 H GLN A 66 -9.940 10.607 0.991 1.00 0.82 H new ATOM 0 HA GLN A 66 -10.050 7.753 1.547 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -9.900 8.086 3.993 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -8.378 8.335 3.160 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -8.581 10.728 3.332 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -10.231 10.607 3.910 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -9.115 8.073 5.486 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -8.487 8.833 6.952 1.00 2.45 H new ATOM 1095 N HIS A 67 -12.395 8.202 2.533 1.00 0.94 N ATOM 1096 CA HIS A 67 -13.808 8.456 2.780 1.00 1.14 C ATOM 1097 C HIS A 67 -14.234 7.771 4.062 1.00 1.30 C ATOM 1098 O HIS A 67 -14.121 6.549 4.188 1.00 1.32 O ATOM 1099 CB HIS A 67 -14.667 7.982 1.606 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.409 8.744 0.340 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -14.654 10.093 0.209 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.902 8.344 -0.844 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -14.304 10.482 -0.997 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -13.845 9.443 -1.652 1.00 1.61 N ATOM 0 H HIS A 67 -12.116 7.229 2.656 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.954 9.531 2.884 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.478 6.923 1.430 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -15.720 8.078 1.872 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.598 7.341 -1.104 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -14.381 11.488 -1.383 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -13.500 9.454 -2.612 1.00 1.61 H new ATOM 1113 N THR A 68 -14.684 8.567 5.017 1.00 1.74 N ATOM 1114 CA THR A 68 -15.090 8.052 6.323 1.00 2.04 C ATOM 1115 C THR A 68 -16.503 7.442 6.284 1.00 1.92 C ATOM 1116 O THR A 68 -16.733 6.499 5.529 1.00 2.16 O ATOM 1117 CB THR A 68 -14.974 9.169 7.355 1.00 2.74 C ATOM 1118 OG1 THR A 68 -13.823 9.950 7.084 1.00 3.12 O ATOM 1119 CG2 THR A 68 -14.851 8.677 8.783 1.00 3.23 C ATOM 0 H THR A 68 -14.779 9.578 4.916 1.00 1.74 H new ATOM 0 HA THR A 68 -14.424 7.238 6.609 1.00 2.04 H new ATOM 0 HB THR A 68 -15.898 9.741 7.271 1.00 2.74 H new ATOM 0 HG1 THR A 68 -13.020 9.445 7.329 1.00 3.12 H new ATOM 0 HG21 THR A 68 -14.773 9.531 9.456 1.00 3.23 H new ATOM 0 HG22 THR A 68 -15.732 8.089 9.042 1.00 3.23 H new ATOM 0 HG23 THR A 68 -13.960 8.057 8.879 1.00 3.23 H new ATOM 1127 N THR A 69 -17.420 7.951 7.130 1.00 2.34 N ATOM 1128 CA THR A 69 -18.778 7.413 7.219 1.00 2.58 C ATOM 1129 C THR A 69 -18.712 6.053 7.903 1.00 2.35 C ATOM 1130 O THR A 69 -18.802 5.015 7.247 1.00 2.76 O ATOM 1131 CB THR A 69 -19.434 7.304 5.844 1.00 3.11 C ATOM 1132 OG1 THR A 69 -19.293 8.528 5.136 1.00 3.61 O ATOM 1133 CG2 THR A 69 -20.908 6.981 5.911 1.00 3.69 C ATOM 0 H THR A 69 -17.238 8.734 7.758 1.00 2.34 H new ATOM 0 HA THR A 69 -19.397 8.094 7.804 1.00 2.58 H new ATOM 0 HB THR A 69 -18.925 6.485 5.336 1.00 3.11 H new ATOM 0 HG1 THR A 69 -19.715 8.447 4.255 1.00 3.61 H new ATOM 0 HG21 THR A 69 -21.313 6.918 4.901 1.00 3.69 H new ATOM 0 HG22 THR A 69 -21.049 6.027 6.419 1.00 3.69 H new ATOM 0 HG23 THR A 69 -21.428 7.765 6.462 1.00 3.69 H new ATOM 1141 N ASP A 70 -18.505 6.080 9.226 1.00 2.34 N ATOM 1142 CA ASP A 70 -18.369 4.880 10.049 1.00 2.43 C ATOM 1143 C ASP A 70 -16.981 4.268 9.860 1.00 2.17 C ATOM 1144 O ASP A 70 -16.073 4.501 10.656 1.00 2.45 O ATOM 1145 CB ASP A 70 -19.457 3.847 9.717 1.00 3.01 C ATOM 1146 CG ASP A 70 -19.394 2.590 10.573 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -18.659 2.573 11.578 1.00 3.96 O ATOM 1148 OD2 ASP A 70 -20.109 1.616 10.250 1.00 4.26 O ATOM 0 H ASP A 70 -18.427 6.947 9.757 1.00 2.34 H new ATOM 0 HA ASP A 70 -18.492 5.171 11.092 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -20.435 4.311 9.842 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -19.369 3.565 8.668 1.00 3.01 H new ATOM 1153 N GLU A 71 -16.814 3.535 8.776 1.00 2.04 N ATOM 1154 CA GLU A 71 -15.540 2.915 8.445 1.00 2.00 C ATOM 1155 C GLU A 71 -14.844 3.809 7.427 1.00 1.55 C ATOM 1156 O GLU A 71 -15.453 4.222 6.451 1.00 1.90 O ATOM 1157 CB GLU A 71 -15.772 1.511 7.876 1.00 2.69 C ATOM 1158 CG GLU A 71 -14.568 0.586 7.943 1.00 3.30 C ATOM 1159 CD GLU A 71 -14.933 -0.842 7.608 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -15.639 -1.484 8.415 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -14.554 -1.324 6.523 1.00 4.50 O ATOM 0 H GLU A 71 -17.555 3.351 8.099 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.917 2.809 9.333 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -16.598 1.048 8.416 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -16.083 1.603 6.836 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -13.802 0.937 7.251 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -14.136 0.625 8.943 1.00 3.30 H new ATOM 1168 N ASP A 72 -13.584 4.123 7.677 1.00 1.31 N ATOM 1169 CA ASP A 72 -12.828 5.001 6.787 1.00 1.10 C ATOM 1170 C ASP A 72 -12.059 4.192 5.763 1.00 0.90 C ATOM 1171 O ASP A 72 -11.268 3.309 6.104 1.00 1.26 O ATOM 1172 CB ASP A 72 -11.873 5.888 7.582 1.00 1.58 C ATOM 1173 CG ASP A 72 -11.479 7.137 6.827 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -10.879 7.016 5.740 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -11.749 8.253 7.337 1.00 2.64 O ATOM 0 H ASP A 72 -13.060 3.786 8.485 1.00 1.31 H new ATOM 0 HA ASP A 72 -13.539 5.640 6.263 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -12.343 6.170 8.524 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -10.977 5.320 7.831 1.00 1.58 H new ATOM 1180 N THR A 73 -12.314 4.489 4.518 1.00 0.74 N ATOM 1181 CA THR A 73 -11.681 3.796 3.414 1.00 0.65 C ATOM 1182 C THR A 73 -10.742 4.721 2.642 1.00 0.60 C ATOM 1183 O THR A 73 -11.127 5.826 2.258 1.00 0.79 O ATOM 1184 CB THR A 73 -12.765 3.280 2.492 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.637 2.409 3.199 1.00 0.89 O ATOM 1186 CG2 THR A 73 -12.231 2.557 1.270 1.00 0.94 C ATOM 0 H THR A 73 -12.967 5.219 4.233 1.00 0.74 H new ATOM 0 HA THR A 73 -11.084 2.972 3.805 1.00 0.65 H new ATOM 0 HB THR A 73 -13.300 4.161 2.138 1.00 0.79 H new ATOM 0 HG1 THR A 73 -14.335 2.083 2.593 1.00 0.89 H new ATOM 0 HG21 THR A 73 -13.064 2.216 0.656 1.00 0.94 H new ATOM 0 HG22 THR A 73 -11.607 3.236 0.689 1.00 0.94 H new ATOM 0 HG23 THR A 73 -11.637 1.699 1.585 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.521 4.249 2.392 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.529 5.014 1.650 1.00 0.52 C ATOM 1196 C ILE A 74 -8.668 4.706 0.166 1.00 0.50 C ATOM 1197 O ILE A 74 -8.676 3.542 -0.222 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.094 4.666 2.096 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.946 4.868 3.601 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.083 5.505 1.340 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.074 6.314 4.060 1.00 0.99 C ATOM 0 H ILE A 74 -9.197 3.331 2.697 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.704 6.072 1.846 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.903 3.618 1.868 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.701 4.270 4.111 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.974 4.486 3.912 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.077 5.245 1.668 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.177 5.313 0.271 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.267 6.561 1.536 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.956 6.364 5.142 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.302 6.917 3.582 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -8.056 6.698 3.784 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.798 5.732 -0.669 1.00 0.42 N ATOM 1214 CA VAL A 75 -8.954 5.514 -2.091 1.00 0.45 C ATOM 1215 C VAL A 75 -7.761 6.016 -2.873 1.00 0.46 C ATOM 1216 O VAL A 75 -7.187 7.054 -2.554 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.232 6.190 -2.644 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.427 5.880 -1.759 1.00 0.61 C ATOM 1219 CG2 VAL A 75 -10.054 7.692 -2.843 1.00 1.19 C ATOM 0 H VAL A 75 -8.798 6.711 -0.383 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.037 4.435 -2.218 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.422 5.770 -3.632 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -12.315 6.364 -2.165 1.00 0.61 H new ATOM 0 HG12 VAL A 75 -11.585 4.802 -1.725 1.00 0.61 H new ATOM 0 HG13 VAL A 75 -11.240 6.251 -0.751 1.00 0.61 H new ATOM 0 HG21 VAL A 75 -10.978 8.119 -3.232 1.00 1.19 H new ATOM 0 HG22 VAL A 75 -9.812 8.159 -1.888 1.00 1.19 H new ATOM 0 HG23 VAL A 75 -9.245 7.872 -3.551 1.00 1.19 H new ATOM 1229 N LEU A 76 -7.410 5.287 -3.911 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.321 5.666 -4.772 1.00 0.58 C ATOM 1231 C LEU A 76 -6.881 5.949 -6.166 1.00 0.59 C ATOM 1232 O LEU A 76 -7.739 5.203 -6.659 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.240 4.570 -4.839 1.00 0.74 C ATOM 1234 CG LEU A 76 -4.442 4.282 -3.555 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -5.257 3.474 -2.544 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.164 3.542 -3.900 1.00 1.04 C ATOM 0 H LEU A 76 -7.873 4.418 -4.177 1.00 0.51 H new ATOM 0 HA LEU A 76 -5.844 6.559 -4.368 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -5.720 3.643 -5.152 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.532 4.843 -5.621 1.00 0.74 H new ATOM 0 HG LEU A 76 -4.201 5.239 -3.092 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -4.656 3.293 -1.653 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -6.153 4.031 -2.270 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -5.544 2.521 -2.987 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -2.603 3.340 -2.988 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.410 2.600 -4.390 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -2.560 4.153 -4.570 1.00 1.04 H new ATOM 1248 N GLN A 77 -6.425 7.026 -6.784 1.00 0.62 N ATOM 1249 CA GLN A 77 -6.896 7.411 -8.104 1.00 0.74 C ATOM 1250 C GLN A 77 -6.034 6.802 -9.196 1.00 0.78 C ATOM 1251 O GLN A 77 -4.843 6.559 -9.008 1.00 1.06 O ATOM 1252 CB GLN A 77 -6.935 8.926 -8.232 1.00 0.93 C ATOM 1253 CG GLN A 77 -8.207 9.529 -7.655 1.00 1.36 C ATOM 1254 CD GLN A 77 -8.243 11.044 -7.763 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -8.075 11.602 -8.846 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -8.472 11.723 -6.645 1.00 2.03 N ATOM 0 H GLN A 77 -5.724 7.653 -6.389 1.00 0.62 H new ATOM 0 HA GLN A 77 -7.908 7.025 -8.227 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -6.071 9.352 -7.722 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -6.852 9.200 -9.284 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -9.069 9.112 -8.175 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -8.297 9.242 -6.607 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -8.607 11.226 -5.765 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -8.513 12.742 -6.667 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.692 6.495 -10.323 1.00 0.85 N ATOM 1266 CA PRO A 78 -6.095 5.818 -11.484 1.00 0.99 C ATOM 1267 C PRO A 78 -5.150 6.661 -12.329 1.00 1.02 C ATOM 1268 O PRO A 78 -5.504 7.077 -13.436 1.00 1.34 O ATOM 1269 CB PRO A 78 -7.320 5.443 -12.335 1.00 1.43 C ATOM 1270 CG PRO A 78 -8.498 5.595 -11.433 1.00 1.60 C ATOM 1271 CD PRO A 78 -8.135 6.703 -10.512 1.00 1.20 C ATOM 0 HA PRO A 78 -5.471 4.992 -11.142 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -7.406 6.094 -13.205 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -7.241 4.422 -12.707 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -9.400 5.830 -11.998 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -8.697 4.674 -10.884 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -8.352 7.679 -10.946 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -8.681 6.644 -9.570 1.00 1.20 H new ATOM 1279 N GLN A 79 -3.956 6.900 -11.825 1.00 1.17 N ATOM 1280 CA GLN A 79 -2.953 7.692 -12.537 1.00 1.56 C ATOM 1281 C GLN A 79 -2.519 7.105 -13.890 1.00 1.66 C ATOM 1282 O GLN A 79 -2.099 7.840 -14.779 1.00 2.02 O ATOM 1283 CB GLN A 79 -1.711 7.786 -11.658 1.00 2.04 C ATOM 1284 CG GLN A 79 -1.259 6.441 -11.115 1.00 2.20 C ATOM 1285 CD GLN A 79 0.243 6.336 -10.985 1.00 2.84 C ATOM 1286 OE1 GLN A 79 0.910 7.245 -10.489 1.00 3.22 O ATOM 1287 NE2 GLN A 79 0.789 5.216 -11.431 1.00 3.46 N ATOM 0 H GLN A 79 -3.647 6.556 -10.916 1.00 1.17 H new ATOM 0 HA GLN A 79 -3.414 8.658 -12.742 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -0.899 8.230 -12.234 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -1.914 8.458 -10.824 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -1.716 6.276 -10.139 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -1.618 5.650 -11.773 1.00 2.20 H new ATOM 0 HE21 GLN A 79 0.201 4.487 -11.835 1.00 3.46 H new ATOM 0 HE22 GLN A 79 1.798 5.081 -11.371 1.00 3.46 H new ATOM 1296 N GLU A 80 -2.575 5.792 -14.019 1.00 1.50 N ATOM 1297 CA GLU A 80 -2.113 5.141 -15.231 1.00 1.81 C ATOM 1298 C GLU A 80 -3.085 4.071 -15.722 1.00 1.62 C ATOM 1299 O GLU A 80 -3.850 3.505 -14.946 1.00 1.78 O ATOM 1300 CB GLU A 80 -0.752 4.485 -14.977 1.00 2.37 C ATOM 1301 CG GLU A 80 0.427 5.456 -14.990 1.00 3.06 C ATOM 1302 CD GLU A 80 0.942 5.742 -16.388 1.00 3.86 C ATOM 1303 OE1 GLU A 80 1.379 4.792 -17.075 1.00 4.42 O ATOM 1304 OE2 GLU A 80 0.926 6.921 -16.796 1.00 4.35 O ATOM 0 H GLU A 80 -2.933 5.159 -13.304 1.00 1.50 H new ATOM 0 HA GLU A 80 -2.038 5.911 -15.999 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -0.780 3.979 -14.012 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -0.585 3.719 -15.734 1.00 2.37 H new ATOM 0 HG2 GLU A 80 0.125 6.392 -14.521 1.00 3.06 H new ATOM 0 HG3 GLU A 80 1.237 5.044 -14.387 1.00 3.06 H new ATOM 1311 N PRO A 81 -3.033 3.763 -17.030 1.00 1.93 N ATOM 1312 CA PRO A 81 -3.861 2.731 -17.640 1.00 2.28 C ATOM 1313 C PRO A 81 -3.492 1.358 -17.085 1.00 2.24 C ATOM 1314 O PRO A 81 -2.309 1.018 -16.958 1.00 2.80 O ATOM 1315 CB PRO A 81 -3.531 2.825 -19.136 1.00 2.89 C ATOM 1316 CG PRO A 81 -2.852 4.137 -19.301 1.00 3.10 C ATOM 1317 CD PRO A 81 -2.127 4.364 -18.015 1.00 2.53 C ATOM 0 HA PRO A 81 -4.924 2.866 -17.441 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -2.885 2.005 -19.450 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -4.434 2.770 -19.743 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -2.162 4.121 -20.145 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -3.572 4.932 -19.493 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -1.148 3.885 -18.011 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -1.964 5.424 -17.823 1.00 2.53 H new ATOM 1325 N GLY A 82 -4.492 0.585 -16.701 1.00 1.99 N ATOM 1326 CA GLY A 82 -4.227 -0.712 -16.111 1.00 2.10 C ATOM 1327 C GLY A 82 -4.362 -0.596 -14.607 1.00 1.96 C ATOM 1328 O GLY A 82 -4.260 -1.573 -13.864 1.00 2.51 O ATOM 0 H GLY A 82 -5.479 0.828 -16.785 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -4.926 -1.453 -16.497 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -3.225 -1.050 -16.376 1.00 2.10 H new ATOM 1332 N LEU A 83 -4.636 0.625 -14.193 1.00 1.57 N ATOM 1333 CA LEU A 83 -4.831 0.966 -12.798 1.00 1.40 C ATOM 1334 C LEU A 83 -6.169 1.674 -12.670 1.00 1.22 C ATOM 1335 O LEU A 83 -6.252 2.877 -12.862 1.00 1.13 O ATOM 1336 CB LEU A 83 -3.700 1.867 -12.283 1.00 1.31 C ATOM 1337 CG LEU A 83 -3.876 2.394 -10.849 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -4.018 1.244 -9.860 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -2.687 3.275 -10.452 1.00 1.26 C ATOM 0 H LEU A 83 -4.731 1.420 -14.825 1.00 1.57 H new ATOM 0 HA LEU A 83 -4.821 0.058 -12.195 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -2.764 1.311 -12.335 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.603 2.719 -12.956 1.00 1.31 H new ATOM 0 HG LEU A 83 -4.787 2.991 -10.821 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -4.141 1.643 -8.853 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -4.890 0.644 -10.122 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -3.125 0.620 -9.896 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -2.828 3.639 -9.434 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -1.768 2.691 -10.504 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -2.618 4.122 -11.134 1.00 1.26 H new ATOM 1351 N PRO A 84 -7.228 0.932 -12.362 1.00 1.33 N ATOM 1352 CA PRO A 84 -8.573 1.484 -12.218 1.00 1.29 C ATOM 1353 C PRO A 84 -8.765 2.133 -10.853 1.00 1.09 C ATOM 1354 O PRO A 84 -7.814 2.657 -10.265 1.00 1.15 O ATOM 1355 CB PRO A 84 -9.453 0.246 -12.402 1.00 1.58 C ATOM 1356 CG PRO A 84 -8.630 -0.881 -11.877 1.00 1.75 C ATOM 1357 CD PRO A 84 -7.198 -0.522 -12.139 1.00 1.64 C ATOM 0 HA PRO A 84 -8.803 2.280 -12.926 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -10.391 0.341 -11.854 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -9.710 0.095 -13.450 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -8.805 -1.025 -10.811 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -8.892 -1.816 -12.372 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -6.561 -0.783 -11.294 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -6.807 -1.051 -13.008 1.00 1.64 H new ATOM 1365 N SER A 85 -9.969 2.081 -10.334 1.00 0.99 N ATOM 1366 CA SER A 85 -10.225 2.663 -9.040 1.00 0.88 C ATOM 1367 C SER A 85 -9.754 1.657 -8.005 1.00 0.63 C ATOM 1368 O SER A 85 -9.863 0.452 -8.226 1.00 0.82 O ATOM 1369 CB SER A 85 -11.710 2.982 -8.878 1.00 1.23 C ATOM 1370 OG SER A 85 -12.173 3.763 -9.972 1.00 1.43 O ATOM 0 H SER A 85 -10.777 1.647 -10.782 1.00 0.99 H new ATOM 0 HA SER A 85 -9.692 3.606 -8.919 1.00 0.88 H new ATOM 0 HB2 SER A 85 -12.282 2.056 -8.816 1.00 1.23 H new ATOM 0 HB3 SER A 85 -11.873 3.520 -7.944 1.00 1.23 H new ATOM 0 HG SER A 85 -13.126 3.958 -9.855 1.00 1.43 H new ATOM 1376 N PHE A 86 -9.195 2.135 -6.913 1.00 0.53 N ATOM 1377 CA PHE A 86 -8.669 1.254 -5.893 1.00 0.64 C ATOM 1378 C PHE A 86 -8.956 1.832 -4.516 1.00 0.57 C ATOM 1379 O PHE A 86 -8.686 2.997 -4.255 1.00 0.63 O ATOM 1380 CB PHE A 86 -7.169 1.062 -6.159 1.00 1.04 C ATOM 1381 CG PHE A 86 -6.407 0.352 -5.086 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.900 -0.795 -4.491 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -5.177 0.832 -4.687 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -6.168 -1.452 -3.513 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -4.443 0.185 -3.709 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.936 -0.952 -3.117 1.00 0.75 C ATOM 0 H PHE A 86 -9.093 3.129 -6.709 1.00 0.53 H new ATOM 0 HA PHE A 86 -9.150 0.276 -5.924 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -7.052 0.508 -7.090 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -6.717 2.042 -6.312 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -7.863 -1.182 -4.790 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -4.781 1.726 -5.145 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -6.557 -2.352 -3.060 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -3.481 0.575 -3.411 1.00 1.36 H new ATOM 0 HZ PHE A 86 -4.368 -1.454 -2.348 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.541 1.022 -3.667 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.910 1.436 -2.325 1.00 0.57 C ATOM 1398 C ARG A 87 -9.506 0.388 -1.313 1.00 0.57 C ATOM 1399 O ARG A 87 -9.632 -0.794 -1.590 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.422 1.624 -2.260 1.00 0.68 C ATOM 1401 CG ARG A 87 -11.939 2.744 -3.132 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.279 2.376 -3.747 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.231 1.914 -2.730 1.00 1.36 N ATOM 1404 CZ ARG A 87 -15.513 1.646 -2.973 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -16.002 1.789 -4.198 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -16.312 1.257 -1.986 1.00 2.41 N ATOM 0 H ARG A 87 -9.777 0.054 -3.883 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.397 2.369 -2.093 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.907 0.694 -2.556 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.710 1.819 -1.227 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.043 3.653 -2.540 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -11.218 2.958 -3.921 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -13.692 3.241 -4.266 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -13.135 1.595 -4.493 1.00 1.24 H new ATOM 0 HE ARG A 87 -13.889 1.790 -1.777 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -15.396 2.105 -4.955 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -16.984 1.583 -4.382 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -15.944 1.163 -1.039 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -17.293 1.052 -2.175 1.00 2.41 H new ATOM 1420 N ILE A 88 -9.016 0.825 -0.164 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.604 -0.093 0.899 1.00 0.54 C ATOM 1422 C ILE A 88 -9.259 0.260 2.210 1.00 0.59 C ATOM 1423 O ILE A 88 -9.237 1.420 2.630 1.00 0.68 O ATOM 1424 CB ILE A 88 -7.066 -0.149 1.095 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.440 1.241 0.952 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.435 -1.152 0.122 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.942 1.236 1.187 1.00 0.74 C ATOM 0 H ILE A 88 -8.892 1.812 0.062 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.933 -1.081 0.576 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.863 -0.493 2.109 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.646 1.626 -0.047 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.912 1.922 1.660 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -5.356 -1.177 0.274 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.850 -2.144 0.302 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.650 -0.849 -0.903 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.552 2.248 1.073 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.733 0.879 2.195 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.462 0.578 0.462 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.842 -0.734 2.866 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.488 -0.517 4.144 1.00 0.74 C ATOM 1441 C LYS A 89 -9.742 -1.291 5.214 1.00 0.85 C ATOM 1442 O LYS A 89 -9.296 -2.423 4.984 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.952 -0.944 4.086 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.141 -2.401 3.703 1.00 1.31 C ATOM 1445 CD LYS A 89 -13.508 -2.884 4.078 1.00 1.68 C ATOM 1446 CE LYS A 89 -13.619 -4.384 3.922 1.00 1.89 C ATOM 1447 NZ LYS A 89 -14.891 -4.914 4.489 1.00 2.46 N ATOM 0 H LYS A 89 -9.879 -1.697 2.531 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.464 0.545 4.387 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.412 -0.769 5.058 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -12.478 -0.316 3.367 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -11.991 -2.521 2.630 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -11.387 -3.012 4.200 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -13.725 -2.606 5.109 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.254 -2.394 3.452 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -13.558 -4.644 2.865 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -12.774 -4.863 4.417 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -14.925 -5.945 4.360 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -14.939 -4.690 5.503 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -15.698 -4.477 3.999 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.592 -0.704 6.406 1.00 1.06 N ATOM 1462 CA PRO A 90 -8.877 -1.340 7.503 1.00 1.30 C ATOM 1463 C PRO A 90 -9.735 -2.412 8.174 1.00 1.47 C ATOM 1464 O PRO A 90 -10.113 -2.294 9.340 1.00 1.94 O ATOM 1465 CB PRO A 90 -8.567 -0.181 8.465 1.00 1.59 C ATOM 1466 CG PRO A 90 -9.077 1.067 7.804 1.00 1.77 C ATOM 1467 CD PRO A 90 -10.086 0.622 6.783 1.00 1.29 C ATOM 0 HA PRO A 90 -7.976 -1.858 7.174 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.052 -0.336 9.429 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -7.496 -0.110 8.655 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -9.532 1.736 8.535 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -8.263 1.617 7.332 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -11.092 0.577 7.200 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -10.125 1.298 5.929 1.00 1.29 H new ATOM 1475 N LYS A 91 -10.046 -3.450 7.409 1.00 1.40 N ATOM 1476 CA LYS A 91 -10.876 -4.534 7.905 1.00 1.72 C ATOM 1477 C LYS A 91 -10.233 -5.901 7.697 1.00 2.02 C ATOM 1478 O LYS A 91 -10.861 -6.856 7.227 1.00 2.48 O ATOM 1479 CB LYS A 91 -12.253 -4.496 7.260 1.00 1.95 C ATOM 1480 CG LYS A 91 -13.362 -4.781 8.245 1.00 2.50 C ATOM 1481 CD LYS A 91 -13.311 -3.810 9.415 1.00 2.94 C ATOM 1482 CE LYS A 91 -14.445 -4.047 10.386 1.00 3.58 C ATOM 1483 NZ LYS A 91 -15.746 -3.723 9.771 1.00 4.13 N ATOM 0 H LYS A 91 -9.735 -3.562 6.444 1.00 1.40 H new ATOM 0 HA LYS A 91 -10.981 -4.385 8.980 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -12.413 -3.516 6.811 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.292 -5.227 6.452 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -14.327 -4.703 7.745 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -13.274 -5.804 8.612 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -12.359 -3.915 9.935 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -13.359 -2.787 9.042 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -14.441 -5.088 10.708 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -14.298 -3.437 11.277 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -16.379 -3.320 10.491 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -15.606 -3.032 9.006 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -16.171 -4.589 9.382 1.00 4.13 H new ATOM 1497 N ASP A 92 -8.984 -5.986 8.081 1.00 2.34 N ATOM 1498 CA ASP A 92 -8.217 -7.211 8.007 1.00 2.92 C ATOM 1499 C ASP A 92 -6.984 -7.059 8.883 1.00 2.79 C ATOM 1500 O ASP A 92 -6.331 -6.014 8.835 1.00 3.27 O ATOM 1501 CB ASP A 92 -7.796 -7.493 6.573 1.00 3.81 C ATOM 1502 CG ASP A 92 -7.423 -8.949 6.347 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -8.319 -9.816 6.420 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -6.230 -9.232 6.104 1.00 5.11 O ATOM 0 H ASP A 92 -8.461 -5.196 8.460 1.00 2.34 H new ATOM 0 HA ASP A 92 -8.828 -8.045 8.353 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -8.609 -7.222 5.900 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -6.946 -6.860 6.317 1.00 3.81 H new ATOM 1509 N PHE A 93 -6.678 -8.070 9.693 1.00 2.71 N ATOM 1510 CA PHE A 93 -5.512 -8.004 10.578 1.00 2.95 C ATOM 1511 C PHE A 93 -5.308 -9.287 11.363 1.00 3.05 C ATOM 1512 O PHE A 93 -6.157 -10.183 11.370 1.00 3.30 O ATOM 1513 CB PHE A 93 -5.630 -6.846 11.588 1.00 3.27 C ATOM 1514 CG PHE A 93 -6.748 -6.963 12.608 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -7.930 -7.648 12.320 1.00 4.40 C ATOM 1516 CD2 PHE A 93 -6.628 -6.357 13.858 1.00 4.41 C ATOM 1517 CE1 PHE A 93 -8.951 -7.732 13.248 1.00 5.30 C ATOM 1518 CE2 PHE A 93 -7.653 -6.441 14.784 1.00 5.31 C ATOM 1519 CZ PHE A 93 -8.813 -7.126 14.478 1.00 5.69 C ATOM 0 H PHE A 93 -7.213 -8.936 9.757 1.00 2.71 H new ATOM 0 HA PHE A 93 -4.658 -7.843 9.920 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -4.684 -6.760 12.123 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -5.768 -5.918 11.032 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -8.049 -8.120 11.356 1.00 4.40 H new ATOM 0 HD2 PHE A 93 -5.726 -5.817 14.106 1.00 4.41 H new ATOM 0 HE1 PHE A 93 -9.856 -8.272 13.009 1.00 5.30 H new ATOM 0 HE2 PHE A 93 -7.546 -5.969 15.750 1.00 5.31 H new ATOM 0 HZ PHE A 93 -9.612 -7.187 15.203 1.00 5.69 H new ATOM 1529 N GLU A 94 -4.192 -9.322 12.063 1.00 3.44 N ATOM 1530 CA GLU A 94 -3.858 -10.427 12.930 1.00 3.96 C ATOM 1531 C GLU A 94 -4.333 -10.046 14.330 1.00 3.75 C ATOM 1532 O GLU A 94 -5.107 -10.757 14.965 1.00 4.15 O ATOM 1533 CB GLU A 94 -2.337 -10.655 12.922 1.00 4.82 C ATOM 1534 CG GLU A 94 -1.862 -11.701 13.916 1.00 5.73 C ATOM 1535 CD GLU A 94 -2.148 -13.119 13.485 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -3.332 -13.494 13.349 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -1.176 -13.879 13.279 1.00 7.20 O ATOM 0 H GLU A 94 -3.491 -8.581 12.044 1.00 3.44 H new ATOM 0 HA GLU A 94 -4.333 -11.350 12.598 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -2.031 -10.956 11.920 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -1.838 -9.711 13.138 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -0.789 -11.586 14.067 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -2.341 -11.519 14.878 1.00 5.73 H new ATOM 1544 N THR A 95 -3.844 -8.891 14.783 1.00 3.56 N ATOM 1545 CA THR A 95 -4.174 -8.337 16.093 1.00 3.57 C ATOM 1546 C THR A 95 -3.855 -6.842 16.090 1.00 3.11 C ATOM 1547 O THR A 95 -2.934 -6.422 15.389 1.00 3.46 O ATOM 1548 CB THR A 95 -3.361 -9.037 17.186 1.00 4.37 C ATOM 1549 OG1 THR A 95 -3.469 -10.453 17.080 1.00 4.92 O ATOM 1550 CG2 THR A 95 -3.817 -8.670 18.582 1.00 4.79 C ATOM 0 H THR A 95 -3.202 -8.310 14.244 1.00 3.56 H new ATOM 0 HA THR A 95 -5.234 -8.492 16.297 1.00 3.57 H new ATOM 0 HB THR A 95 -2.334 -8.704 17.034 1.00 4.37 H new ATOM 0 HG1 THR A 95 -4.296 -10.684 16.607 1.00 4.92 H new ATOM 0 HG21 THR A 95 -3.205 -9.196 19.315 1.00 4.79 H new ATOM 0 HG22 THR A 95 -3.714 -7.595 18.728 1.00 4.79 H new ATOM 0 HG23 THR A 95 -4.861 -8.955 18.710 1.00 4.79 H new ATOM 1558 N SER A 96 -4.600 -6.055 16.873 1.00 2.83 N ATOM 1559 CA SER A 96 -4.382 -4.622 16.982 1.00 2.92 C ATOM 1560 C SER A 96 -4.936 -3.826 15.820 1.00 2.63 C ATOM 1561 O SER A 96 -4.229 -3.468 14.873 1.00 2.95 O ATOM 1562 CB SER A 96 -2.899 -4.317 17.175 1.00 3.49 C ATOM 1563 OG SER A 96 -2.668 -2.934 17.398 1.00 4.05 O ATOM 0 H SER A 96 -5.370 -6.401 17.446 1.00 2.83 H new ATOM 0 HA SER A 96 -4.941 -4.303 17.861 1.00 2.92 H new ATOM 0 HB2 SER A 96 -2.517 -4.890 18.020 1.00 3.49 H new ATOM 0 HB3 SER A 96 -2.344 -4.640 16.294 1.00 3.49 H new ATOM 0 HG SER A 96 -1.738 -2.798 17.675 1.00 4.05 H new ATOM 1569 N GLU A 97 -6.225 -3.533 15.919 1.00 2.52 N ATOM 1570 CA GLU A 97 -6.914 -2.717 14.932 1.00 2.71 C ATOM 1571 C GLU A 97 -6.293 -1.321 14.935 1.00 2.41 C ATOM 1572 O GLU A 97 -6.421 -0.553 13.985 1.00 2.64 O ATOM 1573 CB GLU A 97 -8.398 -2.675 15.269 1.00 3.26 C ATOM 1574 CG GLU A 97 -9.218 -1.846 14.312 1.00 3.93 C ATOM 1575 CD GLU A 97 -10.644 -1.669 14.768 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -11.320 -2.683 15.026 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -11.090 -0.509 14.875 1.00 4.86 O ATOM 0 H GLU A 97 -6.820 -3.853 16.683 1.00 2.52 H new ATOM 0 HA GLU A 97 -6.809 -3.138 13.932 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -8.788 -3.693 15.278 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -8.521 -2.277 16.276 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -8.754 -0.867 14.197 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -9.211 -2.319 13.330 1.00 3.93 H new ATOM 1584 N TYR A 98 -5.590 -1.045 16.025 1.00 2.15 N ATOM 1585 CA TYR A 98 -4.875 0.209 16.216 1.00 1.95 C ATOM 1586 C TYR A 98 -3.944 0.445 15.027 1.00 1.56 C ATOM 1587 O TYR A 98 -3.866 1.552 14.485 1.00 1.45 O ATOM 1588 CB TYR A 98 -4.070 0.174 17.521 1.00 2.16 C ATOM 1589 CG TYR A 98 -4.892 -0.092 18.775 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -5.596 -1.285 18.956 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -4.960 0.863 19.785 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -6.340 -1.509 20.099 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -5.700 0.644 20.925 1.00 4.46 C ATOM 1594 CZ TYR A 98 -6.387 -0.542 21.078 1.00 4.66 C ATOM 1595 OH TYR A 98 -7.122 -0.758 22.217 1.00 5.65 O ATOM 0 H TYR A 98 -5.499 -1.692 16.809 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.594 1.025 16.281 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -3.303 -0.596 17.437 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -3.554 1.127 17.638 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -5.558 -2.045 18.190 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -4.422 1.793 19.672 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -6.881 -2.436 20.223 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -5.742 1.398 21.697 1.00 4.46 H new ATOM 0 HH TYR A 98 -7.049 0.022 22.806 1.00 5.65 H new ATOM 1605 N VAL A 99 -3.221 -0.612 14.648 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.272 -0.556 13.532 1.00 1.34 C ATOM 1607 C VAL A 99 -2.977 -0.228 12.205 1.00 1.17 C ATOM 1608 O VAL A 99 -2.411 0.452 11.351 1.00 1.04 O ATOM 1609 CB VAL A 99 -1.487 -1.893 13.416 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -0.603 -1.925 12.170 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -0.657 -2.120 14.679 1.00 1.91 C ATOM 0 H VAL A 99 -3.276 -1.524 15.102 1.00 1.54 H new ATOM 0 HA VAL A 99 -1.566 0.248 13.739 1.00 1.34 H new ATOM 0 HB VAL A 99 -2.210 -2.702 13.316 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -0.071 -2.875 12.125 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -1.223 -1.814 11.281 1.00 1.76 H new ATOM 0 HG13 VAL A 99 0.117 -1.108 12.214 1.00 1.76 H new ATOM 0 HG21 VAL A 99 -0.110 -3.058 14.591 1.00 1.91 H new ATOM 0 HG22 VAL A 99 0.049 -1.299 14.803 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -1.317 -2.165 15.545 1.00 1.91 H new ATOM 1621 N ARG A 100 -4.223 -0.667 12.055 1.00 1.36 N ATOM 1622 CA ARG A 100 -5.004 -0.379 10.844 1.00 1.42 C ATOM 1623 C ARG A 100 -5.259 1.128 10.717 1.00 1.31 C ATOM 1624 O ARG A 100 -5.166 1.709 9.634 1.00 1.31 O ATOM 1625 CB ARG A 100 -6.358 -1.097 10.891 1.00 1.78 C ATOM 1626 CG ARG A 100 -6.334 -2.544 10.419 1.00 2.37 C ATOM 1627 CD ARG A 100 -5.935 -3.513 11.537 1.00 3.01 C ATOM 1628 NE ARG A 100 -4.484 -3.669 11.663 1.00 3.48 N ATOM 1629 CZ ARG A 100 -3.707 -4.202 10.711 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -4.209 -4.512 9.525 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -2.409 -4.353 10.917 1.00 4.93 N ATOM 0 H ARG A 100 -4.718 -1.223 12.752 1.00 1.36 H new ATOM 0 HA ARG A 100 -4.430 -0.732 9.988 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -6.731 -1.070 11.915 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -7.068 -0.542 10.278 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -7.319 -2.816 10.039 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -5.634 -2.642 9.589 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -6.341 -3.155 12.483 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -6.385 -4.487 11.345 1.00 3.01 H new ATOM 0 HE ARG A 100 -4.040 -3.354 12.525 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -5.196 -4.345 9.330 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -3.608 -4.917 8.807 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -1.996 -4.063 11.804 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -1.821 -4.759 10.189 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.578 1.744 11.843 1.00 1.34 N ATOM 1646 CA LYS A 101 -5.854 3.174 11.905 1.00 1.43 C ATOM 1647 C LYS A 101 -4.565 3.950 11.663 1.00 1.27 C ATOM 1648 O LYS A 101 -4.577 5.036 11.084 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.394 3.529 13.277 1.00 1.68 C ATOM 1650 CG LYS A 101 -7.152 4.847 13.344 1.00 2.35 C ATOM 1651 CD LYS A 101 -7.544 5.189 14.780 1.00 2.61 C ATOM 1652 CE LYS A 101 -8.378 4.097 15.432 1.00 2.79 C ATOM 1653 NZ LYS A 101 -8.788 4.459 16.814 1.00 3.24 N ATOM 0 H LYS A 101 -5.654 1.268 12.742 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.590 3.431 11.143 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -7.055 2.729 13.610 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -5.562 3.568 13.980 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -6.534 5.646 12.933 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -8.047 4.786 12.725 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -6.642 5.354 15.370 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.105 6.123 14.787 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -9.266 3.910 14.828 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -7.806 3.169 15.455 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -9.354 3.688 17.221 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -7.941 4.613 17.398 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -9.356 5.330 16.791 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.453 3.379 12.126 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.147 3.999 11.982 1.00 1.11 C ATOM 1669 C ALA A 102 -1.628 3.967 10.535 1.00 0.99 C ATOM 1670 O ALA A 102 -0.530 4.442 10.269 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.147 3.355 12.935 1.00 1.22 C ATOM 0 H ALA A 102 -3.437 2.480 12.607 1.00 1.11 H new ATOM 0 HA ALA A 102 -2.262 5.051 12.244 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.173 3.830 12.816 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.489 3.482 13.962 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.062 2.292 12.710 1.00 1.22 H new ATOM 1677 N TRP A 103 -2.441 3.491 9.597 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.054 3.505 8.189 1.00 1.01 C ATOM 1679 C TRP A 103 -2.693 4.699 7.519 1.00 0.93 C ATOM 1680 O TRP A 103 -2.189 5.211 6.524 1.00 1.00 O ATOM 1681 CB TRP A 103 -2.427 2.211 7.471 1.00 1.40 C ATOM 1682 CG TRP A 103 -1.258 1.275 7.345 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -0.775 0.455 8.319 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.399 1.098 6.207 1.00 0.61 C ATOM 1685 NE1 TRP A 103 0.327 -0.232 7.857 1.00 1.16 N ATOM 1686 CE2 TRP A 103 0.584 0.150 6.567 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -0.346 1.648 4.925 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 1.583 -0.262 5.678 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.651 1.225 4.062 1.00 0.73 C ATOM 1690 CH2 TRP A 103 1.602 0.291 4.451 1.00 0.98 C ATOM 0 H TRP A 103 -3.362 3.095 9.782 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.968 3.583 8.130 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -3.231 1.715 8.014 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -2.811 2.446 6.478 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -1.194 0.357 9.309 1.00 0.69 H new ATOM 0 HE1 TRP A 103 0.865 -0.915 8.390 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.068 2.388 4.613 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 2.316 -1.001 5.967 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 0.690 1.631 3.062 1.00 0.73 H new ATOM 0 HH2 TRP A 103 2.374 0.002 3.753 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.783 5.181 8.106 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.450 6.364 7.586 1.00 1.12 C ATOM 1703 C LEU A 104 -3.524 7.567 7.768 1.00 1.10 C ATOM 1704 O LEU A 104 -3.455 8.468 6.932 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.797 6.598 8.278 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.967 5.768 7.720 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -6.769 4.286 7.981 1.00 1.69 C ATOM 1708 CD2 LEU A 104 -8.288 6.241 8.307 1.00 2.27 C ATOM 0 H LEU A 104 -4.218 4.774 8.934 1.00 0.95 H new ATOM 0 HA LEU A 104 -4.661 6.220 6.526 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.687 6.375 9.339 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -6.051 7.655 8.199 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.993 5.916 6.640 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -7.613 3.729 7.574 1.00 1.69 H new ATOM 0 HD12 LEU A 104 -5.849 3.952 7.502 1.00 1.69 H new ATOM 0 HD13 LEU A 104 -6.703 4.111 9.055 1.00 1.69 H new ATOM 0 HD21 LEU A 104 -9.102 5.642 7.900 1.00 2.27 H new ATOM 0 HD22 LEU A 104 -8.264 6.132 9.391 1.00 2.27 H new ATOM 0 HD23 LEU A 104 -8.446 7.289 8.051 1.00 2.27 H new ATOM 1720 N ARG A 105 -2.765 7.540 8.860 1.00 1.01 N ATOM 1721 CA ARG A 105 -1.792 8.588 9.133 1.00 1.18 C ATOM 1722 C ARG A 105 -0.627 8.462 8.170 1.00 1.08 C ATOM 1723 O ARG A 105 -0.045 9.462 7.742 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.284 8.524 10.578 1.00 1.38 C ATOM 1725 CG ARG A 105 -2.152 9.297 11.571 1.00 2.01 C ATOM 1726 CD ARG A 105 -1.310 9.968 12.655 1.00 2.29 C ATOM 1727 NE ARG A 105 -0.233 10.774 12.082 1.00 2.86 N ATOM 1728 CZ ARG A 105 0.627 11.502 12.790 1.00 3.68 C ATOM 1729 NH1 ARG A 105 0.593 11.507 14.116 1.00 4.09 N ATOM 1730 NH2 ARG A 105 1.593 12.149 12.167 1.00 4.52 N ATOM 0 H ARG A 105 -2.806 6.806 9.567 1.00 1.01 H new ATOM 0 HA ARG A 105 -2.284 9.551 8.996 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -1.233 7.481 10.890 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.268 8.918 10.614 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -2.729 10.053 11.038 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -2.868 8.618 12.034 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -1.948 10.600 13.273 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -0.886 9.207 13.310 1.00 2.29 H new ATOM 0 HE ARG A 105 -0.134 10.779 11.067 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -0.101 10.946 14.610 1.00 4.09 H new ATOM 0 HH12 ARG A 105 1.261 12.072 14.641 1.00 4.09 H new ATOM 0 HH21 ARG A 105 1.675 12.088 11.152 1.00 4.52 H new ATOM 0 HH22 ARG A 105 2.258 12.710 12.700 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.321 7.223 7.801 1.00 0.95 N ATOM 1745 CA ASP A 106 0.750 6.930 6.854 1.00 0.99 C ATOM 1746 C ASP A 106 0.379 7.481 5.482 1.00 0.96 C ATOM 1747 O ASP A 106 1.237 7.804 4.670 1.00 1.17 O ATOM 1748 CB ASP A 106 1.009 5.414 6.767 1.00 1.09 C ATOM 1749 CG ASP A 106 1.834 4.878 7.923 1.00 1.46 C ATOM 1750 OD1 ASP A 106 2.341 5.682 8.736 1.00 1.76 O ATOM 1751 OD2 ASP A 106 1.997 3.644 8.014 1.00 2.18 O ATOM 0 H ASP A 106 -0.806 6.396 8.148 1.00 0.95 H new ATOM 0 HA ASP A 106 1.666 7.408 7.202 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.053 4.890 6.738 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.522 5.193 5.831 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.926 7.599 5.249 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.451 8.128 3.991 1.00 1.04 C ATOM 1758 C ILE A 107 -1.683 9.635 4.107 1.00 1.23 C ATOM 1759 O ILE A 107 -1.612 10.359 3.121 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.758 7.388 3.564 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.435 6.197 2.663 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.738 8.301 2.848 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.554 5.163 3.315 1.00 1.45 C ATOM 0 H ILE A 107 -1.646 7.333 5.921 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.710 7.952 3.211 1.00 1.04 H new ATOM 0 HB ILE A 107 -3.229 7.043 4.484 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -3.367 5.724 2.354 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.946 6.559 1.759 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.628 7.735 2.574 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -4.019 9.122 3.508 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.271 8.702 1.948 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -1.369 4.349 2.614 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.606 5.620 3.599 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -2.049 4.771 4.204 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.921 10.108 5.333 1.00 1.25 N ATOM 1776 CA ALA A 108 -2.115 11.525 5.584 1.00 1.52 C ATOM 1777 C ALA A 108 -0.792 12.261 5.377 1.00 1.59 C ATOM 1778 O ALA A 108 -0.774 13.451 5.060 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.639 11.752 6.994 1.00 1.62 C ATOM 0 H ALA A 108 -1.983 9.522 6.166 1.00 1.25 H new ATOM 0 HA ALA A 108 -2.855 11.915 4.885 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -2.778 12.820 7.163 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.593 11.238 7.115 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -1.922 11.361 7.716 1.00 1.62 H new ATOM 1785 N GLU A 109 0.310 11.525 5.533 1.00 1.39 N ATOM 1786 CA GLU A 109 1.647 12.061 5.341 1.00 1.50 C ATOM 1787 C GLU A 109 2.594 10.890 5.140 1.00 1.43 C ATOM 1788 O GLU A 109 3.200 10.369 6.076 1.00 1.70 O ATOM 1789 CB GLU A 109 2.099 12.972 6.497 1.00 1.69 C ATOM 1790 CG GLU A 109 1.918 12.398 7.889 1.00 1.73 C ATOM 1791 CD GLU A 109 2.360 13.356 8.970 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.780 14.463 9.067 1.00 2.40 O ATOM 1793 OE2 GLU A 109 3.273 13.009 9.742 1.00 2.56 O ATOM 0 H GLU A 109 0.294 10.540 5.796 1.00 1.39 H new ATOM 0 HA GLU A 109 1.651 12.704 4.461 1.00 1.50 H new ATOM 0 HB2 GLU A 109 3.153 13.213 6.356 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.547 13.910 6.435 1.00 1.69 H new ATOM 0 HG2 GLU A 109 0.869 12.143 8.040 1.00 1.73 H new ATOM 0 HG3 GLU A 109 2.486 11.472 7.974 1.00 1.73 H new ATOM 1800 N GLU A 110 2.664 10.470 3.885 1.00 1.49 N ATOM 1801 CA GLU A 110 3.484 9.345 3.471 1.00 1.63 C ATOM 1802 C GLU A 110 4.970 9.603 3.698 1.00 1.78 C ATOM 1803 O GLU A 110 5.396 10.751 3.879 1.00 2.20 O ATOM 1804 CB GLU A 110 3.222 9.027 1.991 1.00 2.09 C ATOM 1805 CG GLU A 110 3.461 10.188 1.023 1.00 2.83 C ATOM 1806 CD GLU A 110 2.284 11.145 0.933 1.00 3.38 C ATOM 1807 OE1 GLU A 110 2.110 11.985 1.841 1.00 3.86 O ATOM 1808 OE2 GLU A 110 1.515 11.052 -0.038 1.00 3.86 O ATOM 0 H GLU A 110 2.148 10.905 3.120 1.00 1.49 H new ATOM 0 HA GLU A 110 3.206 8.489 4.086 1.00 1.63 H new ATOM 0 HB2 GLU A 110 3.859 8.193 1.697 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.190 8.693 1.885 1.00 2.09 H new ATOM 0 HG2 GLU A 110 4.346 10.740 1.339 1.00 2.83 H new ATOM 0 HG3 GLU A 110 3.672 9.788 0.031 1.00 2.83 H new ATOM 1815 N GLN A 111 5.735 8.506 3.665 1.00 1.93 N ATOM 1816 CA GLN A 111 7.171 8.513 3.836 1.00 2.44 C ATOM 1817 C GLN A 111 7.603 9.185 5.142 1.00 2.84 C ATOM 1818 O GLN A 111 8.047 10.326 5.152 1.00 3.22 O ATOM 1819 CB GLN A 111 7.806 9.170 2.623 1.00 2.97 C ATOM 1820 CG GLN A 111 7.988 8.224 1.450 1.00 3.66 C ATOM 1821 CD GLN A 111 8.595 8.886 0.223 1.00 4.54 C ATOM 1822 OE1 GLN A 111 9.152 8.212 -0.638 1.00 5.12 O ATOM 1823 NE2 GLN A 111 8.493 10.194 0.125 1.00 5.02 N ATOM 0 H GLN A 111 5.352 7.573 3.514 1.00 1.93 H new ATOM 0 HA GLN A 111 7.519 7.483 3.912 1.00 2.44 H new ATOM 0 HB2 GLN A 111 7.187 10.011 2.309 1.00 2.97 H new ATOM 0 HB3 GLN A 111 8.777 9.577 2.906 1.00 2.97 H new ATOM 0 HG2 GLN A 111 8.625 7.395 1.758 1.00 3.66 H new ATOM 0 HG3 GLN A 111 7.020 7.800 1.182 1.00 3.66 H new ATOM 0 HE21 GLN A 111 8.024 10.725 0.858 1.00 5.02 H new ATOM 0 HE22 GLN A 111 8.883 10.677 -0.684 1.00 5.02 H new