USER MOD reduce.3.24.130724 H: found=0, std=0, add=1327, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1324 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 151 GLN : amide:sc= 0.528 K(o=1.5,f=0.63) USER MOD Set 1.2: A 155 GLN : amide:sc= 0.952 K(o=1.5,f=0.63) USER MOD Set 2.1: A 120 THR OG1 : rot 180:sc= 0.981 USER MOD Set 2.2: A 134 SER OG : rot 89:sc= 0.819 USER MOD Set 3.1: A 121 GLN : amide:sc= -2.37 X(o=-4,f=-4.3) USER MOD Set 3.2: A 154 MET CE :methyl -121:sc= -1.6 (180deg=-1.07) USER MOD Set 4.1: A 92 HIS : no HE2:sc= -0.97 K(o=-1.4,f=-3.3) USER MOD Set 4.2: A 94 MET CE :methyl -162:sc= -0.437 (180deg=-1.23) USER MOD Set 5.1: A 84 ASN : amide:sc= 0.868 K(o=1.6,f=0) USER MOD Set 5.2: A 87 ASN : amide:sc= 0.772 K(o=1.6,f=-0.74) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -169:sc= -0.0973 (180deg=-0.249) USER MOD Single : A 18 GLN : amide:sc= 0.519 K(o=0.52,f=0) USER MOD Single : A 20 MET CE :methyl -173:sc= -0.214 (180deg=-0.398) USER MOD Single : A 22 THR OG1 : rot -86:sc= 0.969 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.014) USER MOD Single : A 33 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 35 GLN : amide:sc= 1.16 K(o=1.2,f=-0.086) USER MOD Single : A 36 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.047) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -171:sc=0.000672 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.0496 USER MOD Single : A 48 HIS : no HE2:sc= -1.16! C(o=-1.2!,f=-4.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -157:sc= 2.27 USER MOD Single : A 62 ASN : amide:sc= 0.503 K(o=0.5,f=-0.012) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -162:sc= 0.327 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.49) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 113 HIS : no HE2:sc= 0.194 K(o=0.19,f=-3.9!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -174:sc= -0.122 (180deg=-0.172) USER MOD Single : A 136 SER OG : rot -115:sc= 0.888 USER MOD Single : A 138 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot -160:sc= 0.384 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -127:sc= 1.27 (180deg=0.281) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 163 MET CE :methyl -144:sc=-0.00581 (180deg=-1.74) USER MOD Single : A 166 MET CE :methyl 167:sc= 0 (180deg=-0.103) USER MOD Single : A 169 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N TRP A 9 -2.720 18.924 9.958 1.00 0.88 N ATOM 129 CA TRP A 9 -2.883 17.955 8.870 1.00 0.82 C ATOM 130 C TRP A 9 -3.139 16.559 9.446 1.00 0.69 C ATOM 131 O TRP A 9 -4.095 15.887 9.054 1.00 0.64 O ATOM 132 CB TRP A 9 -1.639 17.980 7.962 1.00 0.91 C ATOM 133 CG TRP A 9 -1.768 17.271 6.643 1.00 0.91 C ATOM 134 CD1 TRP A 9 -2.077 15.965 6.463 1.00 1.56 C ATOM 135 CD2 TRP A 9 -1.593 17.818 5.297 1.00 1.62 C ATOM 136 NE1 TRP A 9 -2.155 15.683 5.114 1.00 1.23 N ATOM 137 CE2 TRP A 9 -1.865 16.788 4.346 1.00 1.29 C ATOM 138 CE3 TRP A 9 -1.229 19.081 4.779 1.00 3.07 C ATOM 139 CZ2 TRP A 9 -1.796 17.001 2.961 1.00 2.15 C ATOM 140 CZ3 TRP A 9 -1.144 19.304 3.391 1.00 4.09 C ATOM 141 CH2 TRP A 9 -1.429 18.270 2.482 1.00 3.61 C ATOM 0 HA TRP A 9 -3.747 18.224 8.262 1.00 0.82 H new ATOM 0 HB2 TRP A 9 -1.377 19.020 7.768 1.00 0.91 H new ATOM 0 HB3 TRP A 9 -0.806 17.538 8.509 1.00 0.91 H new ATOM 0 HD1 TRP A 9 -2.238 15.250 7.257 1.00 1.56 H new ATOM 0 HE1 TRP A 9 -2.398 14.768 4.733 1.00 1.23 H new ATOM 0 HE3 TRP A 9 -1.012 19.891 5.460 1.00 3.07 H new ATOM 0 HZ2 TRP A 9 -2.022 16.200 2.272 1.00 2.15 H new ATOM 0 HZ3 TRP A 9 -0.857 20.278 3.022 1.00 4.09 H new ATOM 0 HH2 TRP A 9 -1.366 18.450 1.419 1.00 3.61 H new ATOM 152 N ARG A 10 -2.334 16.156 10.439 1.00 0.70 N ATOM 153 CA ARG A 10 -2.458 14.860 11.113 1.00 0.68 C ATOM 154 C ARG A 10 -3.793 14.755 11.858 1.00 0.64 C ATOM 155 O ARG A 10 -4.486 13.749 11.736 1.00 0.61 O ATOM 156 CB ARG A 10 -1.245 14.639 12.039 1.00 0.79 C ATOM 157 CG ARG A 10 -1.209 13.204 12.582 1.00 1.00 C ATOM 158 CD ARG A 10 0.140 12.818 13.206 1.00 1.43 C ATOM 159 NE ARG A 10 0.325 13.398 14.548 1.00 2.26 N ATOM 160 CZ ARG A 10 1.320 13.118 15.384 1.00 2.74 C ATOM 161 NH1 ARG A 10 2.298 12.296 15.059 1.00 2.99 N ATOM 162 NH2 ARG A 10 1.342 13.662 16.581 1.00 3.88 N ATOM 0 H ARG A 10 -1.571 16.729 10.799 1.00 0.70 H new ATOM 0 HA ARG A 10 -2.458 14.063 10.370 1.00 0.68 H new ATOM 0 HB2 ARG A 10 -0.325 14.846 11.492 1.00 0.79 H new ATOM 0 HB3 ARG A 10 -1.287 15.343 12.870 1.00 0.79 H new ATOM 0 HG2 ARG A 10 -1.993 13.088 13.330 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -1.437 12.512 11.772 1.00 1.00 H new ATOM 0 HD2 ARG A 10 0.210 11.732 13.270 1.00 1.43 H new ATOM 0 HD3 ARG A 10 0.947 13.152 12.554 1.00 1.43 H new ATOM 0 HE ARG A 10 -0.371 14.073 14.863 1.00 2.26 H new ATOM 0 HH11 ARG A 10 2.307 11.852 14.141 1.00 2.99 H new ATOM 0 HH12 ARG A 10 3.046 12.104 15.726 1.00 2.99 H new ATOM 0 HH21 ARG A 10 0.597 14.297 16.866 1.00 3.88 H new ATOM 0 HH22 ARG A 10 2.104 13.449 17.224 1.00 3.88 H new ATOM 176 N ARG A 11 -4.208 15.823 12.546 1.00 0.69 N ATOM 177 CA ARG A 11 -5.495 15.932 13.245 1.00 0.73 C ATOM 178 C ARG A 11 -6.682 15.831 12.276 1.00 0.66 C ATOM 179 O ARG A 11 -7.622 15.076 12.532 1.00 0.67 O ATOM 180 CB ARG A 11 -5.522 17.247 14.049 1.00 0.88 C ATOM 181 CG ARG A 11 -6.894 17.482 14.687 1.00 1.33 C ATOM 182 CD ARG A 11 -6.877 18.524 15.809 1.00 1.71 C ATOM 183 NE ARG A 11 -8.238 18.750 16.340 1.00 2.01 N ATOM 184 CZ ARG A 11 -8.950 17.937 17.117 1.00 2.65 C ATOM 185 NH1 ARG A 11 -8.470 16.801 17.584 1.00 3.77 N ATOM 186 NH2 ARG A 11 -10.184 18.258 17.439 1.00 3.05 N ATOM 0 H ARG A 11 -3.639 16.665 12.635 1.00 0.69 H new ATOM 0 HA ARG A 11 -5.596 15.093 13.934 1.00 0.73 H new ATOM 0 HB2 ARG A 11 -4.758 17.216 14.826 1.00 0.88 H new ATOM 0 HB3 ARG A 11 -5.276 18.082 13.393 1.00 0.88 H new ATOM 0 HG2 ARG A 11 -7.594 17.802 13.916 1.00 1.33 H new ATOM 0 HG3 ARG A 11 -7.267 16.538 15.084 1.00 1.33 H new ATOM 0 HD2 ARG A 11 -6.220 18.189 16.612 1.00 1.71 H new ATOM 0 HD3 ARG A 11 -6.468 19.462 15.433 1.00 1.71 H new ATOM 0 HE ARG A 11 -8.683 19.631 16.081 1.00 2.01 H new ATOM 0 HH11 ARG A 11 -7.518 16.516 17.353 1.00 3.77 H new ATOM 0 HH12 ARG A 11 -9.050 16.207 18.177 1.00 3.77 H new ATOM 0 HH21 ARG A 11 -10.592 19.127 17.094 1.00 3.05 H new ATOM 0 HH22 ARG A 11 -10.733 17.638 18.034 1.00 3.05 H new ATOM 200 N THR A 12 -6.618 16.560 11.155 1.00 0.67 N ATOM 201 CA THR A 12 -7.648 16.563 10.102 1.00 0.69 C ATOM 202 C THR A 12 -7.797 15.178 9.500 1.00 0.60 C ATOM 203 O THR A 12 -8.917 14.695 9.364 1.00 0.63 O ATOM 204 CB THR A 12 -7.327 17.616 9.033 1.00 0.77 C ATOM 205 OG1 THR A 12 -7.368 18.887 9.641 1.00 0.87 O ATOM 206 CG2 THR A 12 -8.337 17.627 7.884 1.00 0.85 C ATOM 0 H THR A 12 -5.833 17.178 10.948 1.00 0.67 H new ATOM 0 HA THR A 12 -8.605 16.833 10.549 1.00 0.69 H new ATOM 0 HB THR A 12 -6.347 17.373 8.622 1.00 0.77 H new ATOM 0 HG1 THR A 12 -7.164 19.575 8.974 1.00 0.87 H new ATOM 0 HG21 THR A 12 -8.056 18.392 7.160 1.00 0.85 H new ATOM 0 HG22 THR A 12 -8.344 16.652 7.397 1.00 0.85 H new ATOM 0 HG23 THR A 12 -9.331 17.845 8.275 1.00 0.85 H new ATOM 214 N MET A 13 -6.690 14.499 9.201 1.00 0.53 N ATOM 215 CA MET A 13 -6.730 13.130 8.683 1.00 0.48 C ATOM 216 C MET A 13 -7.270 12.162 9.745 1.00 0.46 C ATOM 217 O MET A 13 -8.167 11.391 9.422 1.00 0.47 O ATOM 218 CB MET A 13 -5.348 12.696 8.153 1.00 0.50 C ATOM 219 CG MET A 13 -5.354 12.362 6.652 1.00 0.87 C ATOM 220 SD MET A 13 -4.802 13.655 5.504 1.00 1.61 S ATOM 221 CE MET A 13 -5.987 14.978 5.836 1.00 1.08 C ATOM 0 H MET A 13 -5.749 14.877 9.309 1.00 0.53 H new ATOM 0 HA MET A 13 -7.418 13.102 7.838 1.00 0.48 H new ATOM 0 HB2 MET A 13 -4.628 13.493 8.339 1.00 0.50 H new ATOM 0 HB3 MET A 13 -5.009 11.824 8.712 1.00 0.50 H new ATOM 0 HG2 MET A 13 -4.724 11.486 6.500 1.00 0.87 H new ATOM 0 HG3 MET A 13 -6.369 12.077 6.375 1.00 0.87 H new ATOM 0 HE1 MET A 13 -5.892 15.751 5.074 1.00 1.08 H new ATOM 0 HE2 MET A 13 -6.999 14.573 5.818 1.00 1.08 H new ATOM 0 HE3 MET A 13 -5.786 15.409 6.817 1.00 1.08 H new ATOM 231 N LEU A 14 -6.839 12.258 11.009 1.00 0.50 N ATOM 232 CA LEU A 14 -7.301 11.400 12.118 1.00 0.58 C ATOM 233 C LEU A 14 -8.820 11.479 12.280 1.00 0.56 C ATOM 234 O LEU A 14 -9.487 10.453 12.429 1.00 0.60 O ATOM 235 CB LEU A 14 -6.597 11.819 13.435 1.00 0.74 C ATOM 236 CG LEU A 14 -5.402 10.919 13.812 1.00 1.03 C ATOM 237 CD1 LEU A 14 -4.434 11.613 14.781 1.00 2.36 C ATOM 238 CD2 LEU A 14 -5.896 9.620 14.466 1.00 1.56 C ATOM 0 H LEU A 14 -6.145 12.947 11.300 1.00 0.50 H new ATOM 0 HA LEU A 14 -7.042 10.367 11.885 1.00 0.58 H new ATOM 0 HB2 LEU A 14 -6.250 12.848 13.340 1.00 0.74 H new ATOM 0 HB3 LEU A 14 -7.324 11.802 14.247 1.00 0.74 H new ATOM 0 HG LEU A 14 -4.871 10.703 12.885 1.00 1.03 H new ATOM 0 HD11 LEU A 14 -3.610 10.940 15.016 1.00 2.36 H new ATOM 0 HD12 LEU A 14 -4.042 12.518 14.317 1.00 2.36 H new ATOM 0 HD13 LEU A 14 -4.962 11.874 15.698 1.00 2.36 H new ATOM 0 HD21 LEU A 14 -5.041 8.996 14.726 1.00 1.56 H new ATOM 0 HD22 LEU A 14 -6.459 9.858 15.368 1.00 1.56 H new ATOM 0 HD23 LEU A 14 -6.539 9.083 13.768 1.00 1.56 H new ATOM 250 N LEU A 15 -9.373 12.692 12.193 1.00 0.56 N ATOM 251 CA LEU A 15 -10.812 12.945 12.249 1.00 0.58 C ATOM 252 C LEU A 15 -11.507 12.308 11.039 1.00 0.54 C ATOM 253 O LEU A 15 -12.483 11.581 11.211 1.00 0.57 O ATOM 254 CB LEU A 15 -11.006 14.474 12.365 1.00 0.66 C ATOM 255 CG LEU A 15 -12.372 14.989 12.863 1.00 0.78 C ATOM 256 CD1 LEU A 15 -13.501 14.737 11.861 1.00 0.81 C ATOM 257 CD2 LEU A 15 -12.753 14.405 14.231 1.00 0.87 C ATOM 0 H LEU A 15 -8.820 13.542 12.079 1.00 0.56 H new ATOM 0 HA LEU A 15 -11.280 12.482 13.118 1.00 0.58 H new ATOM 0 HB2 LEU A 15 -10.238 14.859 13.036 1.00 0.66 H new ATOM 0 HB3 LEU A 15 -10.821 14.911 11.384 1.00 0.66 H new ATOM 0 HG LEU A 15 -12.249 16.067 12.969 1.00 0.78 H new ATOM 0 HD11 LEU A 15 -14.438 15.120 12.265 1.00 0.81 H new ATOM 0 HD12 LEU A 15 -13.275 15.245 10.923 1.00 0.81 H new ATOM 0 HD13 LEU A 15 -13.595 13.666 11.680 1.00 0.81 H new ATOM 0 HD21 LEU A 15 -13.722 14.798 14.537 1.00 0.87 H new ATOM 0 HD22 LEU A 15 -12.808 13.319 14.160 1.00 0.87 H new ATOM 0 HD23 LEU A 15 -11.999 14.683 14.968 1.00 0.87 H new ATOM 269 N ARG A 16 -10.966 12.488 9.830 1.00 0.51 N ATOM 270 CA ARG A 16 -11.510 11.902 8.595 1.00 0.54 C ATOM 271 C ARG A 16 -11.488 10.366 8.621 1.00 0.55 C ATOM 272 O ARG A 16 -12.492 9.737 8.286 1.00 0.61 O ATOM 273 CB ARG A 16 -10.757 12.468 7.382 1.00 0.57 C ATOM 274 CG ARG A 16 -11.110 13.953 7.187 1.00 0.64 C ATOM 275 CD ARG A 16 -10.157 14.657 6.222 1.00 0.78 C ATOM 276 NE ARG A 16 -10.555 14.438 4.825 1.00 1.03 N ATOM 277 CZ ARG A 16 -11.116 15.309 3.998 1.00 1.55 C ATOM 278 NH1 ARG A 16 -11.341 16.569 4.318 1.00 2.70 N ATOM 279 NH2 ARG A 16 -11.466 14.877 2.811 1.00 2.01 N ATOM 0 H ARG A 16 -10.129 13.050 9.677 1.00 0.51 H new ATOM 0 HA ARG A 16 -12.560 12.182 8.515 1.00 0.54 H new ATOM 0 HB2 ARG A 16 -9.682 12.358 7.527 1.00 0.57 H new ATOM 0 HB3 ARG A 16 -11.017 11.904 6.487 1.00 0.57 H new ATOM 0 HG2 ARG A 16 -12.130 14.035 6.811 1.00 0.64 H new ATOM 0 HG3 ARG A 16 -11.085 14.459 8.152 1.00 0.64 H new ATOM 0 HD2 ARG A 16 -10.144 15.726 6.435 1.00 0.78 H new ATOM 0 HD3 ARG A 16 -9.143 14.289 6.376 1.00 0.78 H new ATOM 0 HE ARG A 16 -10.379 13.507 4.447 1.00 1.03 H new ATOM 0 HH11 ARG A 16 -11.080 16.915 5.241 1.00 2.70 H new ATOM 0 HH12 ARG A 16 -11.776 17.197 3.642 1.00 2.70 H new ATOM 0 HH21 ARG A 16 -11.304 13.903 2.554 1.00 2.01 H new ATOM 0 HH22 ARG A 16 -11.901 15.515 2.144 1.00 2.01 H new ATOM 293 N PHE A 17 -10.401 9.750 9.092 1.00 0.52 N ATOM 294 CA PHE A 17 -10.265 8.299 9.256 1.00 0.55 C ATOM 295 C PHE A 17 -11.202 7.742 10.341 1.00 0.62 C ATOM 296 O PHE A 17 -11.751 6.654 10.171 1.00 0.68 O ATOM 297 CB PHE A 17 -8.792 7.953 9.525 1.00 0.54 C ATOM 298 CG PHE A 17 -7.895 7.962 8.294 1.00 0.52 C ATOM 299 CD1 PHE A 17 -8.051 6.995 7.281 1.00 1.60 C ATOM 300 CD2 PHE A 17 -6.829 8.876 8.204 1.00 1.73 C ATOM 301 CE1 PHE A 17 -7.155 6.953 6.196 1.00 1.64 C ATOM 302 CE2 PHE A 17 -5.904 8.812 7.149 1.00 1.76 C ATOM 303 CZ PHE A 17 -6.076 7.856 6.133 1.00 0.69 C ATOM 0 H PHE A 17 -9.566 10.261 9.378 1.00 0.52 H new ATOM 0 HA PHE A 17 -10.574 7.815 8.330 1.00 0.55 H new ATOM 0 HB2 PHE A 17 -8.394 8.662 10.251 1.00 0.54 H new ATOM 0 HB3 PHE A 17 -8.744 6.966 9.984 1.00 0.54 H new ATOM 0 HD1 PHE A 17 -8.861 6.283 7.337 1.00 1.60 H new ATOM 0 HD2 PHE A 17 -6.720 9.640 8.959 1.00 1.73 H new ATOM 0 HE1 PHE A 17 -7.295 6.226 5.410 1.00 1.64 H new ATOM 0 HE2 PHE A 17 -5.066 9.493 7.119 1.00 1.76 H new ATOM 0 HZ PHE A 17 -5.383 7.814 5.306 1.00 0.69 H new ATOM 313 N GLN A 18 -11.453 8.501 11.415 1.00 0.64 N ATOM 314 CA GLN A 18 -12.499 8.197 12.400 1.00 0.73 C ATOM 315 C GLN A 18 -13.917 8.333 11.804 1.00 0.74 C ATOM 316 O GLN A 18 -14.842 7.666 12.273 1.00 0.86 O ATOM 317 CB GLN A 18 -12.283 9.112 13.624 1.00 0.79 C ATOM 318 CG GLN A 18 -13.158 8.788 14.851 1.00 1.26 C ATOM 319 CD GLN A 18 -14.334 9.756 15.032 1.00 2.45 C ATOM 320 OE1 GLN A 18 -14.298 10.677 15.839 1.00 2.54 O ATOM 321 NE2 GLN A 18 -15.415 9.600 14.296 1.00 4.09 N ATOM 0 H GLN A 18 -10.931 9.351 11.627 1.00 0.64 H new ATOM 0 HA GLN A 18 -12.421 7.155 12.709 1.00 0.73 H new ATOM 0 HB2 GLN A 18 -11.236 9.054 13.920 1.00 0.79 H new ATOM 0 HB3 GLN A 18 -12.473 10.143 13.325 1.00 0.79 H new ATOM 0 HG2 GLN A 18 -13.544 7.773 14.755 1.00 1.26 H new ATOM 0 HG3 GLN A 18 -12.537 8.810 15.747 1.00 1.26 H new ATOM 0 HE21 GLN A 18 -15.465 8.839 13.618 1.00 4.09 H new ATOM 0 HE22 GLN A 18 -16.202 10.240 14.404 1.00 4.09 H new ATOM 330 N ARG A 19 -14.106 9.177 10.779 1.00 0.69 N ATOM 331 CA ARG A 19 -15.402 9.446 10.137 1.00 0.75 C ATOM 332 C ARG A 19 -15.882 8.319 9.208 1.00 0.77 C ATOM 333 O ARG A 19 -17.091 8.111 9.083 1.00 0.88 O ATOM 334 CB ARG A 19 -15.316 10.765 9.337 1.00 0.82 C ATOM 335 CG ARG A 19 -16.549 11.658 9.524 1.00 1.17 C ATOM 336 CD ARG A 19 -16.538 12.326 10.907 1.00 0.98 C ATOM 337 NE ARG A 19 -17.737 13.153 11.126 1.00 1.61 N ATOM 338 CZ ARG A 19 -18.939 12.727 11.501 1.00 2.09 C ATOM 339 NH1 ARG A 19 -19.210 11.449 11.677 1.00 2.61 N ATOM 340 NH2 ARG A 19 -19.900 13.600 11.708 1.00 2.79 N ATOM 0 H ARG A 19 -13.340 9.706 10.362 1.00 0.69 H new ATOM 0 HA ARG A 19 -16.134 9.519 10.941 1.00 0.75 H new ATOM 0 HB2 ARG A 19 -14.426 11.314 9.645 1.00 0.82 H new ATOM 0 HB3 ARG A 19 -15.198 10.535 8.278 1.00 0.82 H new ATOM 0 HG2 ARG A 19 -16.571 12.422 8.747 1.00 1.17 H new ATOM 0 HG3 ARG A 19 -17.455 11.062 9.411 1.00 1.17 H new ATOM 0 HD2 ARG A 19 -16.479 11.560 11.680 1.00 0.98 H new ATOM 0 HD3 ARG A 19 -15.647 12.946 11.004 1.00 0.98 H new ATOM 0 HE ARG A 19 -17.634 14.156 10.974 1.00 1.61 H new ATOM 0 HH11 ARG A 19 -18.485 10.748 11.525 1.00 2.61 H new ATOM 0 HH12 ARG A 19 -20.145 11.161 11.965 1.00 2.61 H new ATOM 0 HH21 ARG A 19 -19.720 14.596 11.581 1.00 2.79 H new ATOM 0 HH22 ARG A 19 -20.825 13.281 11.996 1.00 2.79 H new ATOM 354 N MET A 20 -14.960 7.622 8.533 1.00 0.76 N ATOM 355 CA MET A 20 -15.242 6.588 7.523 1.00 0.78 C ATOM 356 C MET A 20 -16.095 5.440 8.086 1.00 0.97 C ATOM 357 O MET A 20 -15.779 4.877 9.136 1.00 2.11 O ATOM 358 CB MET A 20 -13.913 6.065 6.957 1.00 0.82 C ATOM 359 CG MET A 20 -13.191 7.160 6.160 1.00 1.05 C ATOM 360 SD MET A 20 -11.421 6.884 5.979 1.00 2.15 S ATOM 361 CE MET A 20 -10.950 8.515 5.372 1.00 0.91 C ATOM 0 H MET A 20 -13.961 7.766 8.678 1.00 0.76 H new ATOM 0 HA MET A 20 -15.829 7.039 6.723 1.00 0.78 H new ATOM 0 HB2 MET A 20 -13.276 5.722 7.772 1.00 0.82 H new ATOM 0 HB3 MET A 20 -14.100 5.205 6.314 1.00 0.82 H new ATOM 0 HG2 MET A 20 -13.641 7.231 5.170 1.00 1.05 H new ATOM 0 HG3 MET A 20 -13.351 8.119 6.652 1.00 1.05 H new ATOM 0 HE1 MET A 20 -9.900 8.505 5.081 1.00 0.91 H new ATOM 0 HE2 MET A 20 -11.564 8.773 4.509 1.00 0.91 H new ATOM 0 HE3 MET A 20 -11.102 9.254 6.159 1.00 0.91 H new ATOM 371 N GLU A 21 -17.178 5.099 7.383 1.00 0.88 N ATOM 372 CA GLU A 21 -18.201 4.143 7.833 1.00 0.89 C ATOM 373 C GLU A 21 -18.092 2.750 7.182 1.00 0.88 C ATOM 374 O GLU A 21 -18.741 1.811 7.653 1.00 0.90 O ATOM 375 CB GLU A 21 -19.607 4.723 7.592 1.00 0.97 C ATOM 376 CG GLU A 21 -19.883 5.957 8.465 1.00 1.94 C ATOM 377 CD GLU A 21 -21.364 6.381 8.489 1.00 2.12 C ATOM 378 OE1 GLU A 21 -22.141 6.039 7.566 1.00 2.37 O ATOM 379 OE2 GLU A 21 -21.768 7.082 9.448 1.00 3.25 O ATOM 0 H GLU A 21 -17.376 5.488 6.461 1.00 0.88 H new ATOM 0 HA GLU A 21 -18.024 3.995 8.898 1.00 0.89 H new ATOM 0 HB2 GLU A 21 -19.712 4.993 6.541 1.00 0.97 H new ATOM 0 HB3 GLU A 21 -20.355 3.958 7.801 1.00 0.97 H new ATOM 0 HG2 GLU A 21 -19.557 5.750 9.484 1.00 1.94 H new ATOM 0 HG3 GLU A 21 -19.282 6.790 8.101 1.00 1.94 H new ATOM 386 N THR A 22 -17.262 2.594 6.139 1.00 0.88 N ATOM 387 CA THR A 22 -16.941 1.304 5.498 1.00 0.90 C ATOM 388 C THR A 22 -15.439 1.132 5.320 1.00 0.82 C ATOM 389 O THR A 22 -14.700 2.098 5.127 1.00 0.77 O ATOM 390 CB THR A 22 -17.642 1.137 4.140 1.00 1.04 C ATOM 391 OG1 THR A 22 -17.230 2.150 3.258 1.00 0.98 O ATOM 392 CG2 THR A 22 -19.165 1.154 4.252 1.00 1.23 C ATOM 0 H THR A 22 -16.781 3.382 5.704 1.00 0.88 H new ATOM 0 HA THR A 22 -17.313 0.530 6.169 1.00 0.90 H new ATOM 0 HB THR A 22 -17.353 0.158 3.757 1.00 1.04 H new ATOM 0 HG1 THR A 22 -17.789 2.944 3.388 1.00 0.98 H new ATOM 0 HG21 THR A 22 -19.604 1.032 3.262 1.00 1.23 H new ATOM 0 HG22 THR A 22 -19.492 0.338 4.897 1.00 1.23 H new ATOM 0 HG23 THR A 22 -19.488 2.104 4.678 1.00 1.23 H new ATOM 400 N ALA A 23 -14.978 -0.122 5.320 1.00 0.85 N ATOM 401 CA ALA A 23 -13.592 -0.475 4.991 1.00 0.83 C ATOM 402 C ALA A 23 -13.214 0.000 3.575 1.00 0.85 C ATOM 403 O ALA A 23 -12.066 0.358 3.317 1.00 0.83 O ATOM 404 CB ALA A 23 -13.424 -1.990 5.165 1.00 0.94 C ATOM 0 H ALA A 23 -15.560 -0.928 5.550 1.00 0.85 H new ATOM 0 HA ALA A 23 -12.906 0.035 5.667 1.00 0.83 H new ATOM 0 HB1 ALA A 23 -12.399 -2.272 4.925 1.00 0.94 H new ATOM 0 HB2 ALA A 23 -13.644 -2.264 6.197 1.00 0.94 H new ATOM 0 HB3 ALA A 23 -14.110 -2.511 4.497 1.00 0.94 H new ATOM 410 N GLU A 24 -14.204 0.051 2.679 1.00 0.91 N ATOM 411 CA GLU A 24 -14.075 0.601 1.333 1.00 0.95 C ATOM 412 C GLU A 24 -13.718 2.092 1.378 1.00 0.86 C ATOM 413 O GLU A 24 -12.752 2.493 0.736 1.00 0.87 O ATOM 414 CB GLU A 24 -15.353 0.358 0.510 1.00 1.08 C ATOM 415 CG GLU A 24 -15.755 -1.122 0.458 1.00 1.32 C ATOM 416 CD GLU A 24 -16.867 -1.378 -0.572 1.00 1.46 C ATOM 417 OE1 GLU A 24 -17.950 -0.754 -0.478 1.00 1.67 O ATOM 418 OE2 GLU A 24 -16.676 -2.223 -1.478 1.00 2.56 O ATOM 0 H GLU A 24 -15.141 -0.299 2.878 1.00 0.91 H new ATOM 0 HA GLU A 24 -13.257 0.079 0.836 1.00 0.95 H new ATOM 0 HB2 GLU A 24 -16.171 0.937 0.939 1.00 1.08 H new ATOM 0 HB3 GLU A 24 -15.201 0.724 -0.505 1.00 1.08 H new ATOM 0 HG2 GLU A 24 -14.883 -1.727 0.209 1.00 1.32 H new ATOM 0 HG3 GLU A 24 -16.093 -1.441 1.444 1.00 1.32 H new ATOM 425 N GLU A 25 -14.413 2.907 2.186 1.00 0.79 N ATOM 426 CA GLU A 25 -14.094 4.332 2.374 1.00 0.74 C ATOM 427 C GLU A 25 -12.658 4.544 2.883 1.00 0.68 C ATOM 428 O GLU A 25 -11.989 5.476 2.428 1.00 0.65 O ATOM 429 CB GLU A 25 -15.085 4.994 3.343 1.00 0.83 C ATOM 430 CG GLU A 25 -16.451 5.287 2.712 1.00 1.71 C ATOM 431 CD GLU A 25 -17.532 5.377 3.799 1.00 2.50 C ATOM 432 OE1 GLU A 25 -17.370 6.158 4.766 1.00 3.25 O ATOM 433 OE2 GLU A 25 -18.524 4.620 3.713 1.00 3.39 O ATOM 0 H GLU A 25 -15.217 2.595 2.731 1.00 0.79 H new ATOM 0 HA GLU A 25 -14.178 4.801 1.394 1.00 0.74 H new ATOM 0 HB2 GLU A 25 -15.224 4.345 4.208 1.00 0.83 H new ATOM 0 HB3 GLU A 25 -14.655 5.926 3.710 1.00 0.83 H new ATOM 0 HG2 GLU A 25 -16.408 6.222 2.154 1.00 1.71 H new ATOM 0 HG3 GLU A 25 -16.706 4.502 2.000 1.00 1.71 H new ATOM 440 N VAL A 26 -12.163 3.671 3.770 1.00 0.67 N ATOM 441 CA VAL A 26 -10.785 3.753 4.304 1.00 0.62 C ATOM 442 C VAL A 26 -9.737 3.602 3.199 1.00 0.65 C ATOM 443 O VAL A 26 -8.799 4.399 3.144 1.00 0.64 O ATOM 444 CB VAL A 26 -10.516 2.734 5.440 1.00 0.61 C ATOM 445 CG1 VAL A 26 -9.069 2.800 5.964 1.00 0.58 C ATOM 446 CG2 VAL A 26 -11.461 2.950 6.636 1.00 0.62 C ATOM 0 H VAL A 26 -12.700 2.887 4.141 1.00 0.67 H new ATOM 0 HA VAL A 26 -10.696 4.751 4.734 1.00 0.62 H new ATOM 0 HB VAL A 26 -10.693 1.756 4.993 1.00 0.61 H new ATOM 0 HG11 VAL A 26 -8.936 2.065 6.758 1.00 0.58 H new ATOM 0 HG12 VAL A 26 -8.377 2.584 5.150 1.00 0.58 H new ATOM 0 HG13 VAL A 26 -8.869 3.798 6.355 1.00 0.58 H new ATOM 0 HG21 VAL A 26 -11.241 2.216 7.411 1.00 0.62 H new ATOM 0 HG22 VAL A 26 -11.318 3.954 7.036 1.00 0.62 H new ATOM 0 HG23 VAL A 26 -12.494 2.833 6.309 1.00 0.62 H new ATOM 456 N TYR A 27 -9.893 2.625 2.296 1.00 0.72 N ATOM 457 CA TYR A 27 -8.944 2.464 1.187 1.00 0.77 C ATOM 458 C TYR A 27 -9.204 3.502 0.071 1.00 0.76 C ATOM 459 O TYR A 27 -8.289 3.976 -0.602 1.00 0.75 O ATOM 460 CB TYR A 27 -8.918 1.007 0.685 1.00 0.88 C ATOM 461 CG TYR A 27 -9.804 0.671 -0.498 1.00 0.95 C ATOM 462 CD1 TYR A 27 -9.468 1.153 -1.777 1.00 2.35 C ATOM 463 CD2 TYR A 27 -10.947 -0.127 -0.326 1.00 2.26 C ATOM 464 CE1 TYR A 27 -10.331 0.928 -2.862 1.00 2.35 C ATOM 465 CE2 TYR A 27 -11.795 -0.394 -1.419 1.00 2.36 C ATOM 466 CZ TYR A 27 -11.497 0.150 -2.689 1.00 1.13 C ATOM 467 OH TYR A 27 -12.327 -0.083 -3.745 1.00 1.24 O ATOM 0 H TYR A 27 -10.653 1.945 2.310 1.00 0.72 H new ATOM 0 HA TYR A 27 -7.939 2.671 1.555 1.00 0.77 H new ATOM 0 HB2 TYR A 27 -7.890 0.758 0.420 1.00 0.88 H new ATOM 0 HB3 TYR A 27 -9.199 0.358 1.514 1.00 0.88 H new ATOM 0 HD1 TYR A 27 -8.546 1.696 -1.924 1.00 2.35 H new ATOM 0 HD2 TYR A 27 -11.176 -0.537 0.646 1.00 2.26 H new ATOM 0 HE1 TYR A 27 -10.103 1.350 -3.829 1.00 2.35 H new ATOM 0 HE2 TYR A 27 -12.670 -1.013 -1.287 1.00 2.36 H new ATOM 0 HH TYR A 27 -13.081 -0.637 -3.453 1.00 1.24 H new ATOM 477 N HIS A 28 -10.463 3.873 -0.138 1.00 0.78 N ATOM 478 CA HIS A 28 -10.885 4.859 -1.124 1.00 0.80 C ATOM 479 C HIS A 28 -10.335 6.267 -0.841 1.00 0.67 C ATOM 480 O HIS A 28 -9.869 6.922 -1.769 1.00 0.67 O ATOM 481 CB HIS A 28 -12.415 4.819 -1.188 1.00 0.92 C ATOM 482 CG HIS A 28 -13.086 5.806 -2.106 1.00 0.96 C ATOM 483 ND1 HIS A 28 -14.057 6.704 -1.727 1.00 1.01 N ATOM 484 CD2 HIS A 28 -12.977 5.877 -3.469 1.00 1.06 C ATOM 485 CE1 HIS A 28 -14.532 7.293 -2.835 1.00 1.11 C ATOM 486 NE2 HIS A 28 -13.902 6.826 -3.930 1.00 1.15 N ATOM 0 H HIS A 28 -11.242 3.482 0.392 1.00 0.78 H new ATOM 0 HA HIS A 28 -10.467 4.606 -2.098 1.00 0.80 H new ATOM 0 HB2 HIS A 28 -12.715 3.816 -1.491 1.00 0.92 H new ATOM 0 HB3 HIS A 28 -12.801 4.977 -0.181 1.00 0.92 H new ATOM 0 HD2 HIS A 28 -12.298 5.303 -4.082 1.00 1.06 H new ATOM 0 HE1 HIS A 28 -15.313 8.039 -2.847 1.00 1.11 H new ATOM 0 HE2 HIS A 28 -14.064 7.105 -4.897 1.00 1.15 H new ATOM 494 N GLU A 29 -10.343 6.765 0.402 1.00 0.59 N ATOM 495 CA GLU A 29 -9.779 8.103 0.646 1.00 0.53 C ATOM 496 C GLU A 29 -8.259 8.168 0.392 1.00 0.48 C ATOM 497 O GLU A 29 -7.756 9.170 -0.124 1.00 0.49 O ATOM 498 CB GLU A 29 -10.181 8.669 2.014 1.00 0.61 C ATOM 499 CG GLU A 29 -10.062 10.212 1.982 1.00 1.22 C ATOM 500 CD GLU A 29 -11.120 10.985 2.786 1.00 1.73 C ATOM 501 OE1 GLU A 29 -12.317 10.618 2.764 1.00 3.05 O ATOM 502 OE2 GLU A 29 -10.767 12.039 3.366 1.00 2.26 O ATOM 0 H GLU A 29 -10.716 6.289 1.223 1.00 0.59 H new ATOM 0 HA GLU A 29 -10.229 8.761 -0.097 1.00 0.53 H new ATOM 0 HB2 GLU A 29 -11.203 8.376 2.256 1.00 0.61 H new ATOM 0 HB3 GLU A 29 -9.539 8.259 2.793 1.00 0.61 H new ATOM 0 HG2 GLU A 29 -9.076 10.489 2.356 1.00 1.22 H new ATOM 0 HG3 GLU A 29 -10.112 10.539 0.944 1.00 1.22 H new ATOM 509 N ILE A 30 -7.517 7.095 0.696 1.00 0.47 N ATOM 510 CA ILE A 30 -6.072 7.027 0.392 1.00 0.49 C ATOM 511 C ILE A 30 -5.785 6.847 -1.107 1.00 0.54 C ATOM 512 O ILE A 30 -4.810 7.414 -1.596 1.00 0.55 O ATOM 513 CB ILE A 30 -5.328 5.988 1.263 1.00 0.54 C ATOM 514 CG1 ILE A 30 -5.822 4.555 1.017 1.00 0.61 C ATOM 515 CG2 ILE A 30 -5.454 6.380 2.746 1.00 0.59 C ATOM 516 CD1 ILE A 30 -5.043 3.463 1.741 1.00 0.74 C ATOM 0 H ILE A 30 -7.888 6.261 1.151 1.00 0.47 H new ATOM 0 HA ILE A 30 -5.666 8.002 0.663 1.00 0.49 H new ATOM 0 HB ILE A 30 -4.276 5.996 0.977 1.00 0.54 H new ATOM 0 HG12 ILE A 30 -6.868 4.492 1.318 1.00 0.61 H new ATOM 0 HG13 ILE A 30 -5.786 4.355 -0.054 1.00 0.61 H new ATOM 0 HG21 ILE A 30 -4.930 5.649 3.361 1.00 0.59 H new ATOM 0 HG22 ILE A 30 -5.015 7.366 2.900 1.00 0.59 H new ATOM 0 HG23 ILE A 30 -6.507 6.404 3.028 1.00 0.59 H new ATOM 0 HD11 ILE A 30 -5.472 2.490 1.501 1.00 0.74 H new ATOM 0 HD12 ILE A 30 -4.000 3.489 1.424 1.00 0.74 H new ATOM 0 HD13 ILE A 30 -5.099 3.628 2.817 1.00 0.74 H new ATOM 528 N GLU A 31 -6.629 6.126 -1.858 1.00 0.60 N ATOM 529 CA GLU A 31 -6.457 5.994 -3.311 1.00 0.72 C ATOM 530 C GLU A 31 -6.828 7.286 -4.053 1.00 0.68 C ATOM 531 O GLU A 31 -6.097 7.707 -4.953 1.00 0.70 O ATOM 532 CB GLU A 31 -7.150 4.738 -3.869 1.00 0.93 C ATOM 533 CG GLU A 31 -8.677 4.713 -4.007 1.00 1.48 C ATOM 534 CD GLU A 31 -9.232 4.784 -5.439 1.00 1.82 C ATOM 535 OE1 GLU A 31 -8.666 5.501 -6.293 1.00 2.66 O ATOM 536 OE2 GLU A 31 -10.291 4.165 -5.696 1.00 2.93 O ATOM 0 H GLU A 31 -7.436 5.626 -1.484 1.00 0.60 H new ATOM 0 HA GLU A 31 -5.394 5.842 -3.499 1.00 0.72 H new ATOM 0 HB2 GLU A 31 -6.730 4.546 -4.856 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -6.866 3.899 -3.233 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -9.048 3.800 -3.541 1.00 1.48 H new ATOM 0 HG3 GLU A 31 -9.086 5.549 -3.440 1.00 1.48 H new ATOM 543 N LEU A 32 -7.880 7.987 -3.604 1.00 0.67 N ATOM 544 CA LEU A 32 -8.233 9.326 -4.082 1.00 0.69 C ATOM 545 C LEU A 32 -7.087 10.328 -3.905 1.00 0.59 C ATOM 546 O LEU A 32 -6.913 11.187 -4.766 1.00 0.60 O ATOM 547 CB LEU A 32 -9.498 9.825 -3.354 1.00 0.76 C ATOM 548 CG LEU A 32 -10.839 9.261 -3.868 1.00 0.92 C ATOM 549 CD1 LEU A 32 -11.962 9.809 -2.976 1.00 0.98 C ATOM 550 CD2 LEU A 32 -11.115 9.649 -5.328 1.00 1.08 C ATOM 0 H LEU A 32 -8.516 7.632 -2.889 1.00 0.67 H new ATOM 0 HA LEU A 32 -8.430 9.252 -5.151 1.00 0.69 H new ATOM 0 HB2 LEU A 32 -9.405 9.580 -2.296 1.00 0.76 H new ATOM 0 HB3 LEU A 32 -9.531 10.912 -3.428 1.00 0.76 H new ATOM 0 HG LEU A 32 -10.792 8.173 -3.827 1.00 0.92 H new ATOM 0 HD11 LEU A 32 -12.921 9.423 -3.321 1.00 0.98 H new ATOM 0 HD12 LEU A 32 -11.794 9.496 -1.946 1.00 0.98 H new ATOM 0 HD13 LEU A 32 -11.969 10.898 -3.027 1.00 0.98 H new ATOM 0 HD21 LEU A 32 -12.070 9.228 -5.642 1.00 1.08 H new ATOM 0 HD22 LEU A 32 -11.151 10.735 -5.415 1.00 1.08 H new ATOM 0 HD23 LEU A 32 -10.320 9.260 -5.964 1.00 1.08 H new ATOM 562 N GLN A 33 -6.279 10.216 -2.846 1.00 0.54 N ATOM 563 CA GLN A 33 -5.110 11.076 -2.646 1.00 0.53 C ATOM 564 C GLN A 33 -4.079 10.889 -3.773 1.00 0.57 C ATOM 565 O GLN A 33 -3.627 11.863 -4.364 1.00 0.82 O ATOM 566 CB GLN A 33 -4.502 10.780 -1.259 1.00 0.58 C ATOM 567 CG GLN A 33 -3.510 11.851 -0.777 1.00 0.68 C ATOM 568 CD GLN A 33 -4.154 13.227 -0.584 1.00 2.01 C ATOM 569 OE1 GLN A 33 -3.767 14.218 -1.188 1.00 3.08 O ATOM 570 NE2 GLN A 33 -5.175 13.345 0.243 1.00 3.52 N ATOM 0 H GLN A 33 -6.417 9.528 -2.105 1.00 0.54 H new ATOM 0 HA GLN A 33 -5.419 12.121 -2.681 1.00 0.53 H new ATOM 0 HB2 GLN A 33 -5.308 10.690 -0.531 1.00 0.58 H new ATOM 0 HB3 GLN A 33 -3.994 9.816 -1.293 1.00 0.58 H new ATOM 0 HG2 GLN A 33 -3.067 11.529 0.165 1.00 0.68 H new ATOM 0 HG3 GLN A 33 -2.697 11.935 -1.499 1.00 0.68 H new ATOM 0 HE21 GLN A 33 -5.513 12.531 0.756 1.00 3.52 H new ATOM 0 HE22 GLN A 33 -5.627 14.251 0.370 1.00 3.52 H new ATOM 579 N ALA A 34 -3.753 9.651 -4.145 1.00 0.59 N ATOM 580 CA ALA A 34 -2.838 9.359 -5.253 1.00 0.70 C ATOM 581 C ALA A 34 -3.442 9.721 -6.622 1.00 0.57 C ATOM 582 O ALA A 34 -2.730 10.212 -7.499 1.00 0.55 O ATOM 583 CB ALA A 34 -2.474 7.870 -5.167 1.00 0.94 C ATOM 0 H ALA A 34 -4.117 8.817 -3.685 1.00 0.59 H new ATOM 0 HA ALA A 34 -1.943 9.974 -5.164 1.00 0.70 H new ATOM 0 HB1 ALA A 34 -1.792 7.615 -5.978 1.00 0.94 H new ATOM 0 HB2 ALA A 34 -1.992 7.668 -4.211 1.00 0.94 H new ATOM 0 HB3 ALA A 34 -3.379 7.269 -5.251 1.00 0.94 H new ATOM 589 N GLN A 35 -4.746 9.502 -6.820 1.00 0.56 N ATOM 590 CA GLN A 35 -5.454 9.958 -8.024 1.00 0.59 C ATOM 591 C GLN A 35 -5.430 11.493 -8.147 1.00 0.56 C ATOM 592 O GLN A 35 -5.267 12.012 -9.251 1.00 0.59 O ATOM 593 CB GLN A 35 -6.906 9.453 -8.020 1.00 0.73 C ATOM 594 CG GLN A 35 -7.022 7.916 -7.985 1.00 0.97 C ATOM 595 CD GLN A 35 -7.756 7.305 -9.183 1.00 1.56 C ATOM 596 OE1 GLN A 35 -7.593 7.699 -10.332 1.00 2.16 O ATOM 597 NE2 GLN A 35 -8.584 6.308 -8.960 1.00 1.92 N ATOM 0 H GLN A 35 -5.339 9.006 -6.155 1.00 0.56 H new ATOM 0 HA GLN A 35 -4.934 9.542 -8.887 1.00 0.59 H new ATOM 0 HB2 GLN A 35 -7.424 9.868 -7.156 1.00 0.73 H new ATOM 0 HB3 GLN A 35 -7.415 9.828 -8.908 1.00 0.73 H new ATOM 0 HG2 GLN A 35 -6.020 7.490 -7.934 1.00 0.97 H new ATOM 0 HG3 GLN A 35 -7.540 7.624 -7.071 1.00 0.97 H new ATOM 0 HE21 GLN A 35 -8.730 5.969 -8.009 1.00 1.92 H new ATOM 0 HE22 GLN A 35 -9.080 5.873 -9.738 1.00 1.92 H new ATOM 606 N GLN A 36 -5.521 12.224 -7.027 1.00 0.57 N ATOM 607 CA GLN A 36 -5.388 13.689 -6.994 1.00 0.64 C ATOM 608 C GLN A 36 -3.973 14.152 -7.380 1.00 0.61 C ATOM 609 O GLN A 36 -3.813 15.254 -7.911 1.00 0.68 O ATOM 610 CB GLN A 36 -5.750 14.224 -5.593 1.00 0.74 C ATOM 611 CG GLN A 36 -7.254 14.465 -5.381 1.00 1.09 C ATOM 612 CD GLN A 36 -7.880 15.586 -6.224 1.00 1.51 C ATOM 613 OE1 GLN A 36 -9.086 15.628 -6.435 1.00 2.32 O ATOM 614 NE2 GLN A 36 -7.126 16.540 -6.739 1.00 2.15 N ATOM 0 H GLN A 36 -5.691 11.812 -6.110 1.00 0.57 H new ATOM 0 HA GLN A 36 -6.080 14.094 -7.732 1.00 0.64 H new ATOM 0 HB2 GLN A 36 -5.397 13.516 -4.843 1.00 0.74 H new ATOM 0 HB3 GLN A 36 -5.216 15.159 -5.424 1.00 0.74 H new ATOM 0 HG2 GLN A 36 -7.784 13.537 -5.595 1.00 1.09 H new ATOM 0 HG3 GLN A 36 -7.421 14.692 -4.328 1.00 1.09 H new ATOM 0 HE21 GLN A 36 -6.118 16.534 -6.582 1.00 2.15 H new ATOM 0 HE22 GLN A 36 -7.551 17.283 -7.294 1.00 2.15 H new ATOM 623 N LEU A 37 -2.958 13.315 -7.135 1.00 0.60 N ATOM 624 CA LEU A 37 -1.557 13.561 -7.483 1.00 0.70 C ATOM 625 C LEU A 37 -1.161 13.001 -8.870 1.00 0.74 C ATOM 626 O LEU A 37 -0.005 13.154 -9.276 1.00 0.87 O ATOM 627 CB LEU A 37 -0.678 12.977 -6.354 1.00 0.75 C ATOM 628 CG LEU A 37 -0.403 13.943 -5.185 1.00 0.87 C ATOM 629 CD1 LEU A 37 -1.590 14.243 -4.259 1.00 2.30 C ATOM 630 CD2 LEU A 37 0.771 13.459 -4.320 1.00 2.41 C ATOM 0 H LEU A 37 -3.096 12.416 -6.673 1.00 0.60 H new ATOM 0 HA LEU A 37 -1.401 14.636 -7.568 1.00 0.70 H new ATOM 0 HB2 LEU A 37 -1.162 12.082 -5.962 1.00 0.75 H new ATOM 0 HB3 LEU A 37 0.275 12.663 -6.780 1.00 0.75 H new ATOM 0 HG LEU A 37 -0.168 14.877 -5.695 1.00 0.87 H new ATOM 0 HD11 LEU A 37 -1.275 14.933 -3.476 1.00 2.30 H new ATOM 0 HD12 LEU A 37 -2.397 14.693 -4.837 1.00 2.30 H new ATOM 0 HD13 LEU A 37 -1.941 13.316 -3.806 1.00 2.30 H new ATOM 0 HD21 LEU A 37 0.937 14.164 -3.505 1.00 2.41 H new ATOM 0 HD22 LEU A 37 0.539 12.477 -3.909 1.00 2.41 H new ATOM 0 HD23 LEU A 37 1.671 13.393 -4.932 1.00 2.41 H new ATOM 642 N GLU A 38 -2.096 12.380 -9.601 1.00 0.68 N ATOM 643 CA GLU A 38 -1.940 11.881 -10.978 1.00 0.76 C ATOM 644 C GLU A 38 -0.883 10.756 -11.077 1.00 0.77 C ATOM 645 O GLU A 38 0.004 10.771 -11.933 1.00 1.03 O ATOM 646 CB GLU A 38 -1.712 13.050 -11.958 1.00 0.97 C ATOM 647 CG GLU A 38 -2.047 12.701 -13.415 1.00 1.67 C ATOM 648 CD GLU A 38 -1.852 13.910 -14.341 1.00 1.90 C ATOM 649 OE1 GLU A 38 -0.693 14.325 -14.574 1.00 2.77 O ATOM 650 OE2 GLU A 38 -2.858 14.450 -14.857 1.00 1.90 O ATOM 0 H GLU A 38 -3.030 12.202 -9.231 1.00 0.68 H new ATOM 0 HA GLU A 38 -2.873 11.406 -11.281 1.00 0.76 H new ATOM 0 HB2 GLU A 38 -2.321 13.899 -11.647 1.00 0.97 H new ATOM 0 HB3 GLU A 38 -0.670 13.366 -11.898 1.00 0.97 H new ATOM 0 HG2 GLU A 38 -1.413 11.880 -13.749 1.00 1.67 H new ATOM 0 HG3 GLU A 38 -3.078 12.354 -13.480 1.00 1.67 H new ATOM 657 N TYR A 39 -0.931 9.773 -10.164 1.00 0.57 N ATOM 658 CA TYR A 39 0.022 8.649 -10.147 1.00 0.53 C ATOM 659 C TYR A 39 -0.166 7.676 -11.341 1.00 0.47 C ATOM 660 O TYR A 39 0.702 7.614 -12.216 1.00 0.49 O ATOM 661 CB TYR A 39 -0.149 7.866 -8.842 1.00 0.55 C ATOM 662 CG TYR A 39 0.532 8.354 -7.577 1.00 0.85 C ATOM 663 CD1 TYR A 39 0.438 9.685 -7.139 1.00 1.91 C ATOM 664 CD2 TYR A 39 1.285 7.432 -6.821 1.00 2.02 C ATOM 665 CE1 TYR A 39 1.076 10.075 -5.946 1.00 2.20 C ATOM 666 CE2 TYR A 39 1.941 7.824 -5.643 1.00 2.28 C ATOM 667 CZ TYR A 39 1.812 9.148 -5.187 1.00 1.74 C ATOM 668 OH TYR A 39 2.397 9.541 -4.028 1.00 2.25 O ATOM 0 H TYR A 39 -1.627 9.734 -9.420 1.00 0.57 H new ATOM 0 HA TYR A 39 1.022 9.076 -10.228 1.00 0.53 H new ATOM 0 HB2 TYR A 39 -1.218 7.808 -8.635 1.00 0.55 H new ATOM 0 HB3 TYR A 39 0.196 6.848 -9.025 1.00 0.55 H new ATOM 0 HD1 TYR A 39 -0.122 10.407 -7.715 1.00 1.91 H new ATOM 0 HD2 TYR A 39 1.358 6.407 -7.154 1.00 2.02 H new ATOM 0 HE1 TYR A 39 0.999 11.098 -5.610 1.00 2.20 H new ATOM 0 HE2 TYR A 39 2.540 7.114 -5.092 1.00 2.28 H new ATOM 0 HH TYR A 39 2.867 8.781 -3.625 1.00 2.25 H new ATOM 678 N ASP A 40 -1.306 6.960 -11.376 1.00 0.46 N ATOM 679 CA ASP A 40 -1.635 5.744 -12.161 1.00 0.46 C ATOM 680 C ASP A 40 -2.687 4.897 -11.409 1.00 0.42 C ATOM 681 O ASP A 40 -3.880 5.044 -11.670 1.00 0.52 O ATOM 682 CB ASP A 40 -0.389 4.916 -12.544 1.00 0.53 C ATOM 683 CG ASP A 40 -0.676 3.527 -13.131 1.00 0.77 C ATOM 684 OD1 ASP A 40 -1.373 3.457 -14.172 1.00 2.15 O ATOM 685 OD2 ASP A 40 -0.147 2.537 -12.568 1.00 2.07 O ATOM 0 H ASP A 40 -2.100 7.242 -10.801 1.00 0.46 H new ATOM 0 HA ASP A 40 -2.064 6.071 -13.108 1.00 0.46 H new ATOM 0 HB2 ASP A 40 0.195 5.484 -13.268 1.00 0.53 H new ATOM 0 HB3 ASP A 40 0.233 4.795 -11.657 1.00 0.53 H new ATOM 690 N TYR A 41 -2.257 4.047 -10.465 1.00 0.38 N ATOM 691 CA TYR A 41 -3.083 3.050 -9.757 1.00 0.39 C ATOM 692 C TYR A 41 -2.566 2.752 -8.328 1.00 0.41 C ATOM 693 O TYR A 41 -1.456 3.122 -7.945 1.00 0.36 O ATOM 694 CB TYR A 41 -3.168 1.731 -10.557 1.00 0.45 C ATOM 695 CG TYR A 41 -3.888 1.725 -11.899 1.00 0.51 C ATOM 696 CD1 TYR A 41 -5.181 2.274 -12.030 1.00 2.32 C ATOM 697 CD2 TYR A 41 -3.306 1.059 -12.999 1.00 1.98 C ATOM 698 CE1 TYR A 41 -5.865 2.205 -13.260 1.00 2.45 C ATOM 699 CE2 TYR A 41 -3.988 0.972 -14.227 1.00 1.91 C ATOM 700 CZ TYR A 41 -5.269 1.551 -14.363 1.00 0.75 C ATOM 701 OH TYR A 41 -5.929 1.464 -15.554 1.00 0.88 O ATOM 0 H TYR A 41 -1.284 4.033 -10.159 1.00 0.38 H new ATOM 0 HA TYR A 41 -4.077 3.489 -9.668 1.00 0.39 H new ATOM 0 HB2 TYR A 41 -2.149 1.385 -10.729 1.00 0.45 H new ATOM 0 HB3 TYR A 41 -3.653 0.991 -9.920 1.00 0.45 H new ATOM 0 HD1 TYR A 41 -5.650 2.750 -11.182 1.00 2.32 H new ATOM 0 HD2 TYR A 41 -2.328 0.612 -12.897 1.00 1.98 H new ATOM 0 HE1 TYR A 41 -6.843 2.651 -13.360 1.00 2.45 H new ATOM 0 HE2 TYR A 41 -3.533 0.463 -15.064 1.00 1.91 H new ATOM 0 HH TYR A 41 -5.373 0.983 -16.202 1.00 0.88 H new ATOM 711 N TYR A 42 -3.385 2.071 -7.523 1.00 0.54 N ATOM 712 CA TYR A 42 -3.164 1.764 -6.101 1.00 0.54 C ATOM 713 C TYR A 42 -3.408 0.276 -5.789 1.00 0.51 C ATOM 714 O TYR A 42 -4.117 -0.403 -6.529 1.00 0.58 O ATOM 715 CB TYR A 42 -4.137 2.606 -5.262 1.00 0.62 C ATOM 716 CG TYR A 42 -5.585 2.192 -5.463 1.00 1.46 C ATOM 717 CD1 TYR A 42 -6.313 2.704 -6.553 1.00 2.96 C ATOM 718 CD2 TYR A 42 -6.182 1.245 -4.605 1.00 2.59 C ATOM 719 CE1 TYR A 42 -7.632 2.280 -6.784 1.00 3.89 C ATOM 720 CE2 TYR A 42 -7.486 0.783 -4.859 1.00 3.39 C ATOM 721 CZ TYR A 42 -8.216 1.297 -5.954 1.00 3.65 C ATOM 722 OH TYR A 42 -9.474 0.838 -6.204 1.00 4.75 O ATOM 0 H TYR A 42 -4.271 1.696 -7.862 1.00 0.54 H new ATOM 0 HA TYR A 42 -2.126 1.995 -5.861 1.00 0.54 H new ATOM 0 HB2 TYR A 42 -3.878 2.512 -4.207 1.00 0.62 H new ATOM 0 HB3 TYR A 42 -4.023 3.658 -5.525 1.00 0.62 H new ATOM 0 HD1 TYR A 42 -5.856 3.425 -7.214 1.00 2.96 H new ATOM 0 HD2 TYR A 42 -5.636 0.873 -3.750 1.00 2.59 H new ATOM 0 HE1 TYR A 42 -8.201 2.706 -7.597 1.00 3.89 H new ATOM 0 HE2 TYR A 42 -7.929 0.036 -4.217 1.00 3.39 H new ATOM 0 HH TYR A 42 -9.771 0.275 -5.459 1.00 4.75 H new ATOM 732 N SER A 43 -2.921 -0.215 -4.654 1.00 0.47 N ATOM 733 CA SER A 43 -3.392 -1.469 -4.050 1.00 0.46 C ATOM 734 C SER A 43 -3.453 -1.360 -2.517 1.00 0.48 C ATOM 735 O SER A 43 -2.574 -0.754 -1.899 1.00 0.46 O ATOM 736 CB SER A 43 -2.466 -2.624 -4.455 1.00 0.59 C ATOM 737 OG SER A 43 -2.911 -3.872 -3.939 1.00 2.07 O ATOM 0 H SER A 43 -2.184 0.244 -4.119 1.00 0.47 H new ATOM 0 HA SER A 43 -4.400 -1.665 -4.417 1.00 0.46 H new ATOM 0 HB2 SER A 43 -2.412 -2.680 -5.542 1.00 0.59 H new ATOM 0 HB3 SER A 43 -1.457 -2.422 -4.095 1.00 0.59 H new ATOM 0 HG SER A 43 -2.296 -4.581 -4.221 1.00 2.07 H new ATOM 743 N LEU A 44 -4.472 -1.972 -1.901 1.00 0.62 N ATOM 744 CA LEU A 44 -4.557 -2.250 -0.463 1.00 0.64 C ATOM 745 C LEU A 44 -4.692 -3.767 -0.285 1.00 0.71 C ATOM 746 O LEU A 44 -5.483 -4.402 -0.981 1.00 0.83 O ATOM 747 CB LEU A 44 -5.774 -1.512 0.135 1.00 0.71 C ATOM 748 CG LEU A 44 -5.936 -1.706 1.667 1.00 0.70 C ATOM 749 CD1 LEU A 44 -5.734 -0.394 2.428 1.00 1.60 C ATOM 750 CD2 LEU A 44 -7.305 -2.297 2.020 1.00 1.43 C ATOM 0 H LEU A 44 -5.292 -2.300 -2.411 1.00 0.62 H new ATOM 0 HA LEU A 44 -3.665 -1.899 0.056 1.00 0.64 H new ATOM 0 HB2 LEU A 44 -5.682 -0.447 -0.079 1.00 0.71 H new ATOM 0 HB3 LEU A 44 -6.679 -1.860 -0.363 1.00 0.71 H new ATOM 0 HG LEU A 44 -5.161 -2.409 1.972 1.00 0.70 H new ATOM 0 HD11 LEU A 44 -5.855 -0.571 3.497 1.00 1.60 H new ATOM 0 HD12 LEU A 44 -4.732 -0.012 2.235 1.00 1.60 H new ATOM 0 HD13 LEU A 44 -6.471 0.337 2.095 1.00 1.60 H new ATOM 0 HD21 LEU A 44 -7.381 -2.418 3.101 1.00 1.43 H new ATOM 0 HD22 LEU A 44 -8.091 -1.626 1.674 1.00 1.43 H new ATOM 0 HD23 LEU A 44 -7.418 -3.268 1.537 1.00 1.43 H new ATOM 762 N CYS A 45 -3.952 -4.347 0.659 1.00 0.70 N ATOM 763 CA CYS A 45 -3.980 -5.776 0.969 1.00 0.71 C ATOM 764 C CYS A 45 -3.958 -5.991 2.493 1.00 0.58 C ATOM 765 O CYS A 45 -3.272 -5.270 3.217 1.00 0.60 O ATOM 766 CB CYS A 45 -2.815 -6.422 0.214 1.00 0.97 C ATOM 767 SG CYS A 45 -2.616 -8.169 0.655 1.00 1.26 S ATOM 0 H CYS A 45 -3.300 -3.824 1.244 1.00 0.70 H new ATOM 0 HA CYS A 45 -4.900 -6.258 0.639 1.00 0.71 H new ATOM 0 HB2 CYS A 45 -2.984 -6.335 -0.859 1.00 0.97 H new ATOM 0 HB3 CYS A 45 -1.894 -5.883 0.437 1.00 0.97 H new ATOM 0 HG CYS A 45 -1.620 -8.674 -0.010 1.00 1.26 H new ATOM 773 N VAL A 46 -4.755 -6.942 2.979 1.00 0.56 N ATOM 774 CA VAL A 46 -5.159 -7.090 4.391 1.00 0.58 C ATOM 775 C VAL A 46 -5.162 -8.574 4.769 1.00 0.75 C ATOM 776 O VAL A 46 -5.527 -9.409 3.942 1.00 0.84 O ATOM 777 CB VAL A 46 -6.576 -6.500 4.622 1.00 0.60 C ATOM 778 CG1 VAL A 46 -6.999 -6.536 6.103 1.00 1.32 C ATOM 779 CG2 VAL A 46 -6.688 -5.045 4.134 1.00 1.58 C ATOM 0 H VAL A 46 -5.157 -7.664 2.381 1.00 0.56 H new ATOM 0 HA VAL A 46 -4.447 -6.548 5.014 1.00 0.58 H new ATOM 0 HB VAL A 46 -7.241 -7.138 4.039 1.00 0.60 H new ATOM 0 HG11 VAL A 46 -7.998 -6.111 6.207 1.00 1.32 H new ATOM 0 HG12 VAL A 46 -7.005 -7.568 6.455 1.00 1.32 H new ATOM 0 HG13 VAL A 46 -6.294 -5.954 6.697 1.00 1.32 H new ATOM 0 HG21 VAL A 46 -7.697 -4.676 4.317 1.00 1.58 H new ATOM 0 HG22 VAL A 46 -5.972 -4.424 4.673 1.00 1.58 H new ATOM 0 HG23 VAL A 46 -6.474 -5.002 3.066 1.00 1.58 H new ATOM 789 N ARG A 47 -4.778 -8.903 6.011 1.00 0.86 N ATOM 790 CA ARG A 47 -4.722 -10.287 6.502 1.00 1.10 C ATOM 791 C ARG A 47 -4.999 -10.410 8.007 1.00 1.11 C ATOM 792 O ARG A 47 -4.518 -9.621 8.823 1.00 1.14 O ATOM 793 CB ARG A 47 -3.379 -10.929 6.091 1.00 1.36 C ATOM 794 CG ARG A 47 -2.153 -10.355 6.825 1.00 1.64 C ATOM 795 CD ARG A 47 -0.828 -10.721 6.139 1.00 1.38 C ATOM 796 NE ARG A 47 -0.556 -9.839 4.988 1.00 3.11 N ATOM 797 CZ ARG A 47 0.610 -9.691 4.367 1.00 3.80 C ATOM 798 NH1 ARG A 47 1.662 -10.435 4.635 1.00 2.94 N ATOM 799 NH2 ARG A 47 0.759 -8.769 3.445 1.00 5.78 N ATOM 0 H ARG A 47 -4.496 -8.212 6.707 1.00 0.86 H new ATOM 0 HA ARG A 47 -5.532 -10.842 6.029 1.00 1.10 H new ATOM 0 HB2 ARG A 47 -3.430 -12.002 6.277 1.00 1.36 H new ATOM 0 HB3 ARG A 47 -3.240 -10.798 5.018 1.00 1.36 H new ATOM 0 HG2 ARG A 47 -2.242 -9.270 6.879 1.00 1.64 H new ATOM 0 HG3 ARG A 47 -2.142 -10.726 7.850 1.00 1.64 H new ATOM 0 HD2 ARG A 47 -0.012 -10.646 6.858 1.00 1.38 H new ATOM 0 HD3 ARG A 47 -0.864 -11.758 5.804 1.00 1.38 H new ATOM 0 HE ARG A 47 -1.339 -9.289 4.634 1.00 3.11 H new ATOM 0 HH11 ARG A 47 1.604 -11.163 5.347 1.00 2.94 H new ATOM 0 HH12 ARG A 47 2.536 -10.283 4.131 1.00 2.94 H new ATOM 0 HH21 ARG A 47 -0.023 -8.161 3.201 1.00 5.78 H new ATOM 0 HH22 ARG A 47 1.656 -8.661 2.972 1.00 5.78 H new ATOM 813 N HIS A 48 -5.748 -11.446 8.382 1.00 1.13 N ATOM 814 CA HIS A 48 -5.959 -11.866 9.772 1.00 1.12 C ATOM 815 C HIS A 48 -5.383 -13.291 9.951 1.00 1.05 C ATOM 816 O HIS A 48 -5.985 -14.253 9.454 1.00 1.09 O ATOM 817 CB HIS A 48 -7.464 -11.797 10.111 1.00 1.35 C ATOM 818 CG HIS A 48 -7.813 -12.196 11.533 1.00 2.47 C ATOM 819 ND1 HIS A 48 -7.088 -11.927 12.675 1.00 3.60 N ATOM 820 CD2 HIS A 48 -8.935 -12.874 11.936 1.00 3.95 C ATOM 821 CE1 HIS A 48 -7.743 -12.446 13.726 1.00 4.99 C ATOM 822 NE2 HIS A 48 -8.875 -13.047 13.326 1.00 5.14 N ATOM 0 H HIS A 48 -6.240 -12.035 7.710 1.00 1.13 H new ATOM 0 HA HIS A 48 -5.442 -11.200 10.463 1.00 1.12 H new ATOM 0 HB2 HIS A 48 -7.815 -10.780 9.937 1.00 1.35 H new ATOM 0 HB3 HIS A 48 -8.008 -12.444 9.423 1.00 1.35 H new ATOM 0 HD1 HIS A 48 -6.204 -11.420 12.715 1.00 3.60 H new ATOM 0 HD2 HIS A 48 -9.731 -13.217 11.291 1.00 3.95 H new ATOM 0 HE1 HIS A 48 -7.406 -12.388 14.750 1.00 4.99 H new ATOM 830 N PRO A 49 -4.231 -13.468 10.631 1.00 1.13 N ATOM 831 CA PRO A 49 -3.700 -14.787 10.981 1.00 1.26 C ATOM 832 C PRO A 49 -4.578 -15.451 12.057 1.00 1.30 C ATOM 833 O PRO A 49 -4.252 -15.445 13.245 1.00 1.47 O ATOM 834 CB PRO A 49 -2.244 -14.545 11.407 1.00 1.43 C ATOM 835 CG PRO A 49 -2.246 -13.099 11.897 1.00 1.45 C ATOM 836 CD PRO A 49 -3.245 -12.439 10.951 1.00 1.33 C ATOM 0 HA PRO A 49 -3.717 -15.493 10.151 1.00 1.26 H new ATOM 0 HB2 PRO A 49 -1.937 -15.234 12.194 1.00 1.43 H new ATOM 0 HB3 PRO A 49 -1.555 -14.685 10.574 1.00 1.43 H new ATOM 0 HG2 PRO A 49 -2.560 -13.022 12.938 1.00 1.45 H new ATOM 0 HG3 PRO A 49 -1.258 -12.644 11.827 1.00 1.45 H new ATOM 0 HD2 PRO A 49 -3.718 -11.577 11.422 1.00 1.33 H new ATOM 0 HD3 PRO A 49 -2.750 -12.078 10.049 1.00 1.33 H new ATOM 844 N VAL A 50 -5.720 -16.005 11.630 1.00 1.34 N ATOM 845 CA VAL A 50 -6.753 -16.555 12.531 1.00 1.36 C ATOM 846 C VAL A 50 -6.244 -17.803 13.269 1.00 1.35 C ATOM 847 O VAL A 50 -5.695 -18.699 12.622 1.00 1.42 O ATOM 848 CB VAL A 50 -8.092 -16.922 11.836 1.00 1.47 C ATOM 849 CG1 VAL A 50 -9.262 -16.845 12.834 1.00 1.31 C ATOM 850 CG2 VAL A 50 -8.389 -16.013 10.646 1.00 1.90 C ATOM 0 H VAL A 50 -5.959 -16.087 10.642 1.00 1.34 H new ATOM 0 HA VAL A 50 -6.956 -15.741 13.226 1.00 1.36 H new ATOM 0 HB VAL A 50 -7.985 -17.943 11.470 1.00 1.47 H new ATOM 0 HG11 VAL A 50 -10.191 -17.106 12.327 1.00 1.31 H new ATOM 0 HG12 VAL A 50 -9.088 -17.542 13.653 1.00 1.31 H new ATOM 0 HG13 VAL A 50 -9.337 -15.832 13.230 1.00 1.31 H new ATOM 0 HG21 VAL A 50 -9.335 -16.307 10.191 1.00 1.90 H new ATOM 0 HG22 VAL A 50 -8.455 -14.979 10.985 1.00 1.90 H new ATOM 0 HG23 VAL A 50 -7.589 -16.103 9.911 1.00 1.90 H new ATOM 860 N PRO A 51 -6.446 -17.897 14.597 1.00 1.36 N ATOM 861 CA PRO A 51 -6.133 -19.099 15.359 1.00 1.42 C ATOM 862 C PRO A 51 -7.276 -20.126 15.319 1.00 1.43 C ATOM 863 O PRO A 51 -7.036 -21.331 15.381 1.00 1.52 O ATOM 864 CB PRO A 51 -5.884 -18.591 16.784 1.00 1.49 C ATOM 865 CG PRO A 51 -6.696 -17.297 16.900 1.00 1.49 C ATOM 866 CD PRO A 51 -6.913 -16.823 15.462 1.00 1.38 C ATOM 0 HA PRO A 51 -5.272 -19.627 14.948 1.00 1.42 H new ATOM 0 HB2 PRO A 51 -6.204 -19.324 17.524 1.00 1.49 H new ATOM 0 HB3 PRO A 51 -4.824 -18.407 16.956 1.00 1.49 H new ATOM 0 HG2 PRO A 51 -7.647 -17.474 17.403 1.00 1.49 H new ATOM 0 HG3 PRO A 51 -6.161 -16.548 17.484 1.00 1.49 H new ATOM 0 HD2 PRO A 51 -7.966 -16.608 15.279 1.00 1.38 H new ATOM 0 HD3 PRO A 51 -6.362 -15.903 15.270 1.00 1.38 H new ATOM 874 N PHE A 52 -8.516 -19.643 15.208 1.00 1.39 N ATOM 875 CA PHE A 52 -9.757 -20.423 15.248 1.00 1.46 C ATOM 876 C PHE A 52 -10.181 -21.041 13.899 1.00 1.48 C ATOM 877 O PHE A 52 -11.058 -21.908 13.877 1.00 1.69 O ATOM 878 CB PHE A 52 -10.859 -19.516 15.825 1.00 1.51 C ATOM 879 CG PHE A 52 -10.492 -18.767 17.102 1.00 1.78 C ATOM 880 CD1 PHE A 52 -9.785 -19.408 18.142 1.00 2.71 C ATOM 881 CD2 PHE A 52 -10.849 -17.411 17.245 1.00 2.49 C ATOM 882 CE1 PHE A 52 -9.452 -18.706 19.313 1.00 3.07 C ATOM 883 CE2 PHE A 52 -10.514 -16.708 18.418 1.00 3.07 C ATOM 884 CZ PHE A 52 -9.819 -17.356 19.454 1.00 2.91 C ATOM 0 H PHE A 52 -8.691 -18.646 15.081 1.00 1.39 H new ATOM 0 HA PHE A 52 -9.583 -21.292 15.883 1.00 1.46 H new ATOM 0 HB2 PHE A 52 -11.140 -18.787 15.065 1.00 1.51 H new ATOM 0 HB3 PHE A 52 -11.740 -20.126 16.023 1.00 1.51 H new ATOM 0 HD1 PHE A 52 -9.498 -20.444 18.037 1.00 2.71 H new ATOM 0 HD2 PHE A 52 -11.382 -16.909 16.451 1.00 2.49 H new ATOM 0 HE1 PHE A 52 -8.913 -19.204 20.106 1.00 3.07 H new ATOM 0 HE2 PHE A 52 -10.791 -15.669 18.522 1.00 3.07 H new ATOM 0 HZ PHE A 52 -9.568 -16.818 20.356 1.00 2.91 H new ATOM 894 N THR A 53 -9.594 -20.584 12.780 1.00 1.35 N ATOM 895 CA THR A 53 -9.924 -20.997 11.400 1.00 1.40 C ATOM 896 C THR A 53 -8.706 -20.901 10.481 1.00 1.31 C ATOM 897 O THR A 53 -7.644 -20.448 10.911 1.00 1.29 O ATOM 898 CB THR A 53 -11.163 -20.235 10.892 1.00 1.56 C ATOM 899 OG1 THR A 53 -11.904 -21.132 10.097 1.00 2.03 O ATOM 900 CG2 THR A 53 -10.908 -18.979 10.059 1.00 1.45 C ATOM 0 H THR A 53 -8.847 -19.890 12.810 1.00 1.35 H new ATOM 0 HA THR A 53 -10.196 -22.052 11.396 1.00 1.40 H new ATOM 0 HB THR A 53 -11.674 -19.880 11.787 1.00 1.56 H new ATOM 0 HG1 THR A 53 -12.705 -20.682 9.756 1.00 2.03 H new ATOM 0 HG21 THR A 53 -11.860 -18.538 9.765 1.00 1.45 H new ATOM 0 HG22 THR A 53 -10.342 -18.259 10.650 1.00 1.45 H new ATOM 0 HG23 THR A 53 -10.339 -19.243 9.167 1.00 1.45 H new ATOM 908 N ARG A 54 -8.836 -21.311 9.216 1.00 1.41 N ATOM 909 CA ARG A 54 -7.762 -21.155 8.222 1.00 1.46 C ATOM 910 C ARG A 54 -7.474 -19.660 7.946 1.00 1.23 C ATOM 911 O ARG A 54 -8.423 -18.881 7.800 1.00 1.19 O ATOM 912 CB ARG A 54 -8.126 -21.866 6.907 1.00 1.78 C ATOM 913 CG ARG A 54 -8.183 -23.400 6.999 1.00 2.17 C ATOM 914 CD ARG A 54 -6.812 -24.012 7.322 1.00 2.48 C ATOM 915 NE ARG A 54 -6.825 -25.478 7.178 1.00 2.90 N ATOM 916 CZ ARG A 54 -5.760 -26.271 7.140 1.00 3.41 C ATOM 917 NH1 ARG A 54 -4.533 -25.803 7.259 1.00 3.86 N ATOM 918 NH2 ARG A 54 -5.916 -27.567 6.978 1.00 3.77 N ATOM 0 H ARG A 54 -9.678 -21.756 8.851 1.00 1.41 H new ATOM 0 HA ARG A 54 -6.863 -21.614 8.634 1.00 1.46 H new ATOM 0 HB2 ARG A 54 -9.095 -21.500 6.568 1.00 1.78 H new ATOM 0 HB3 ARG A 54 -7.397 -21.588 6.146 1.00 1.78 H new ATOM 0 HG2 ARG A 54 -8.899 -23.690 7.768 1.00 2.17 H new ATOM 0 HG3 ARG A 54 -8.547 -23.806 6.055 1.00 2.17 H new ATOM 0 HD2 ARG A 54 -6.058 -23.587 6.659 1.00 2.48 H new ATOM 0 HD3 ARG A 54 -6.526 -23.748 8.340 1.00 2.48 H new ATOM 0 HE ARG A 54 -7.738 -25.926 7.100 1.00 2.90 H new ATOM 0 HH11 ARG A 54 -4.379 -24.803 7.385 1.00 3.86 H new ATOM 0 HH12 ARG A 54 -3.738 -26.441 7.225 1.00 3.86 H new ATOM 0 HH21 ARG A 54 -6.852 -27.960 6.882 1.00 3.77 H new ATOM 0 HH22 ARG A 54 -5.101 -28.179 6.948 1.00 3.77 H new ATOM 932 N PRO A 55 -6.194 -19.246 7.858 1.00 1.24 N ATOM 933 CA PRO A 55 -5.811 -17.853 7.657 1.00 1.11 C ATOM 934 C PRO A 55 -6.091 -17.408 6.217 1.00 1.12 C ATOM 935 O PRO A 55 -6.110 -18.220 5.292 1.00 1.34 O ATOM 936 CB PRO A 55 -4.327 -17.783 8.028 1.00 1.34 C ATOM 937 CG PRO A 55 -3.811 -19.178 7.679 1.00 1.61 C ATOM 938 CD PRO A 55 -5.009 -20.086 7.965 1.00 1.53 C ATOM 0 HA PRO A 55 -6.391 -17.168 8.276 1.00 1.11 H new ATOM 0 HB2 PRO A 55 -3.807 -17.009 7.463 1.00 1.34 H new ATOM 0 HB3 PRO A 55 -4.187 -17.555 9.085 1.00 1.34 H new ATOM 0 HG2 PRO A 55 -3.500 -19.241 6.636 1.00 1.61 H new ATOM 0 HG3 PRO A 55 -2.948 -19.450 8.286 1.00 1.61 H new ATOM 0 HD2 PRO A 55 -5.051 -20.910 7.253 1.00 1.53 H new ATOM 0 HD3 PRO A 55 -4.934 -20.527 8.959 1.00 1.53 H new ATOM 946 N LYS A 56 -6.319 -16.104 6.037 1.00 0.97 N ATOM 947 CA LYS A 56 -6.738 -15.496 4.764 1.00 0.96 C ATOM 948 C LYS A 56 -5.961 -14.208 4.436 1.00 0.83 C ATOM 949 O LYS A 56 -5.554 -13.468 5.336 1.00 0.86 O ATOM 950 CB LYS A 56 -8.251 -15.183 4.832 1.00 1.08 C ATOM 951 CG LYS A 56 -9.181 -16.399 4.678 1.00 1.67 C ATOM 952 CD LYS A 56 -9.220 -16.932 3.237 1.00 2.48 C ATOM 953 CE LYS A 56 -10.315 -17.998 3.098 1.00 3.60 C ATOM 954 NZ LYS A 56 -10.443 -18.476 1.695 1.00 4.84 N ATOM 0 H LYS A 56 -6.216 -15.422 6.789 1.00 0.97 H new ATOM 0 HA LYS A 56 -6.522 -16.210 3.970 1.00 0.96 H new ATOM 0 HB2 LYS A 56 -8.463 -14.702 5.787 1.00 1.08 H new ATOM 0 HB3 LYS A 56 -8.491 -14.461 4.051 1.00 1.08 H new ATOM 0 HG2 LYS A 56 -8.849 -17.193 5.347 1.00 1.67 H new ATOM 0 HG3 LYS A 56 -10.189 -16.123 4.987 1.00 1.67 H new ATOM 0 HD2 LYS A 56 -9.409 -16.113 2.543 1.00 2.48 H new ATOM 0 HD3 LYS A 56 -8.252 -17.357 2.972 1.00 2.48 H new ATOM 0 HE2 LYS A 56 -10.087 -18.841 3.750 1.00 3.60 H new ATOM 0 HE3 LYS A 56 -11.268 -17.586 3.431 1.00 3.60 H new ATOM 0 HZ1 LYS A 56 -11.192 -19.195 1.640 1.00 4.84 H new ATOM 0 HZ2 LYS A 56 -10.685 -17.676 1.076 1.00 4.84 H new ATOM 0 HZ3 LYS A 56 -9.541 -18.892 1.386 1.00 4.84 H new ATOM 968 N VAL A 57 -5.827 -13.917 3.138 1.00 0.75 N ATOM 969 CA VAL A 57 -5.357 -12.636 2.585 1.00 0.67 C ATOM 970 C VAL A 57 -6.417 -12.123 1.602 1.00 0.66 C ATOM 971 O VAL A 57 -6.868 -12.868 0.732 1.00 0.73 O ATOM 972 CB VAL A 57 -3.991 -12.778 1.864 1.00 0.70 C ATOM 973 CG1 VAL A 57 -3.494 -11.421 1.339 1.00 1.64 C ATOM 974 CG2 VAL A 57 -2.910 -13.366 2.787 1.00 1.77 C ATOM 0 H VAL A 57 -6.052 -14.595 2.410 1.00 0.75 H new ATOM 0 HA VAL A 57 -5.212 -11.932 3.404 1.00 0.67 H new ATOM 0 HB VAL A 57 -4.158 -13.460 1.030 1.00 0.70 H new ATOM 0 HG11 VAL A 57 -2.535 -11.554 0.839 1.00 1.64 H new ATOM 0 HG12 VAL A 57 -4.219 -11.017 0.632 1.00 1.64 H new ATOM 0 HG13 VAL A 57 -3.376 -10.729 2.173 1.00 1.64 H new ATOM 0 HG21 VAL A 57 -1.970 -13.448 2.241 1.00 1.77 H new ATOM 0 HG22 VAL A 57 -2.773 -12.713 3.649 1.00 1.77 H new ATOM 0 HG23 VAL A 57 -3.220 -14.355 3.126 1.00 1.77 H new ATOM 984 N ALA A 58 -6.802 -10.852 1.740 1.00 0.65 N ATOM 985 CA ALA A 58 -7.689 -10.129 0.826 1.00 0.65 C ATOM 986 C ALA A 58 -6.975 -8.897 0.252 1.00 0.61 C ATOM 987 O ALA A 58 -6.184 -8.255 0.950 1.00 0.61 O ATOM 988 CB ALA A 58 -8.960 -9.718 1.583 1.00 0.69 C ATOM 0 H ALA A 58 -6.492 -10.276 2.522 1.00 0.65 H new ATOM 0 HA ALA A 58 -7.962 -10.776 -0.008 1.00 0.65 H new ATOM 0 HB1 ALA A 58 -9.626 -9.179 0.910 1.00 0.69 H new ATOM 0 HB2 ALA A 58 -9.465 -10.609 1.957 1.00 0.69 H new ATOM 0 HB3 ALA A 58 -8.692 -9.074 2.421 1.00 0.69 H new ATOM 994 N PHE A 59 -7.276 -8.560 -1.004 1.00 0.64 N ATOM 995 CA PHE A 59 -6.646 -7.470 -1.749 1.00 0.59 C ATOM 996 C PHE A 59 -7.649 -6.736 -2.654 1.00 0.58 C ATOM 997 O PHE A 59 -8.549 -7.343 -3.238 1.00 0.62 O ATOM 998 CB PHE A 59 -5.415 -7.998 -2.518 1.00 0.51 C ATOM 999 CG PHE A 59 -5.578 -9.336 -3.231 1.00 0.49 C ATOM 1000 CD1 PHE A 59 -6.396 -9.446 -4.374 1.00 1.99 C ATOM 1001 CD2 PHE A 59 -4.890 -10.476 -2.766 1.00 1.67 C ATOM 1002 CE1 PHE A 59 -6.543 -10.684 -5.027 1.00 1.97 C ATOM 1003 CE2 PHE A 59 -5.041 -11.714 -3.417 1.00 1.75 C ATOM 1004 CZ PHE A 59 -5.870 -11.819 -4.546 1.00 0.67 C ATOM 0 H PHE A 59 -7.986 -9.053 -1.546 1.00 0.64 H new ATOM 0 HA PHE A 59 -6.294 -6.721 -1.040 1.00 0.59 H new ATOM 0 HB2 PHE A 59 -5.129 -7.250 -3.258 1.00 0.51 H new ATOM 0 HB3 PHE A 59 -4.586 -8.085 -1.816 1.00 0.51 H new ATOM 0 HD1 PHE A 59 -6.913 -8.576 -4.751 1.00 1.99 H new ATOM 0 HD2 PHE A 59 -4.243 -10.398 -1.905 1.00 1.67 H new ATOM 0 HE1 PHE A 59 -7.175 -10.761 -5.900 1.00 1.97 H new ATOM 0 HE2 PHE A 59 -4.519 -12.585 -3.048 1.00 1.75 H new ATOM 0 HZ PHE A 59 -5.990 -12.770 -5.043 1.00 0.67 H new ATOM 1014 N TYR A 60 -7.480 -5.415 -2.763 1.00 0.58 N ATOM 1015 CA TYR A 60 -8.350 -4.483 -3.493 1.00 0.60 C ATOM 1016 C TYR A 60 -7.504 -3.506 -4.334 1.00 0.57 C ATOM 1017 O TYR A 60 -6.493 -2.984 -3.851 1.00 0.57 O ATOM 1018 CB TYR A 60 -9.222 -3.696 -2.496 1.00 0.66 C ATOM 1019 CG TYR A 60 -9.946 -4.551 -1.470 1.00 0.62 C ATOM 1020 CD1 TYR A 60 -10.799 -5.591 -1.890 1.00 2.24 C ATOM 1021 CD2 TYR A 60 -9.729 -4.343 -0.095 1.00 1.80 C ATOM 1022 CE1 TYR A 60 -11.405 -6.436 -0.946 1.00 2.21 C ATOM 1023 CE2 TYR A 60 -10.343 -5.178 0.859 1.00 1.84 C ATOM 1024 CZ TYR A 60 -11.181 -6.235 0.435 1.00 0.59 C ATOM 1025 OH TYR A 60 -11.769 -7.059 1.345 1.00 0.62 O ATOM 0 H TYR A 60 -6.692 -4.940 -2.322 1.00 0.58 H new ATOM 0 HA TYR A 60 -8.993 -5.054 -4.163 1.00 0.60 H new ATOM 0 HB2 TYR A 60 -8.591 -2.979 -1.971 1.00 0.66 H new ATOM 0 HB3 TYR A 60 -9.960 -3.121 -3.055 1.00 0.66 H new ATOM 0 HD1 TYR A 60 -10.988 -5.739 -2.943 1.00 2.24 H new ATOM 0 HD2 TYR A 60 -9.087 -3.538 0.231 1.00 1.80 H new ATOM 0 HE1 TYR A 60 -12.044 -7.242 -1.276 1.00 2.21 H new ATOM 0 HE2 TYR A 60 -10.174 -5.011 1.913 1.00 1.84 H new ATOM 0 HH TYR A 60 -11.511 -6.784 2.250 1.00 0.62 H new ATOM 1035 N THR A 61 -7.912 -3.252 -5.586 1.00 0.57 N ATOM 1036 CA THR A 61 -7.145 -2.475 -6.577 1.00 0.54 C ATOM 1037 C THR A 61 -7.969 -2.153 -7.825 1.00 0.61 C ATOM 1038 O THR A 61 -8.877 -2.902 -8.187 1.00 0.69 O ATOM 1039 CB THR A 61 -5.815 -3.173 -6.914 1.00 0.45 C ATOM 1040 OG1 THR A 61 -5.156 -2.401 -7.873 1.00 0.74 O ATOM 1041 CG2 THR A 61 -5.918 -4.585 -7.490 1.00 0.60 C ATOM 0 H THR A 61 -8.804 -3.588 -5.948 1.00 0.57 H new ATOM 0 HA THR A 61 -6.902 -1.514 -6.124 1.00 0.54 H new ATOM 0 HB THR A 61 -5.296 -3.266 -5.960 1.00 0.45 H new ATOM 0 HG1 THR A 61 -4.518 -2.961 -8.362 1.00 0.74 H new ATOM 0 HG21 THR A 61 -4.918 -4.972 -7.687 1.00 0.60 H new ATOM 0 HG22 THR A 61 -6.424 -5.234 -6.775 1.00 0.60 H new ATOM 0 HG23 THR A 61 -6.486 -4.558 -8.420 1.00 0.60 H new ATOM 1049 N ASN A 62 -7.623 -1.043 -8.485 1.00 0.63 N ATOM 1050 CA ASN A 62 -8.114 -0.664 -9.822 1.00 0.75 C ATOM 1051 C ASN A 62 -7.099 -1.025 -10.934 1.00 0.62 C ATOM 1052 O ASN A 62 -7.198 -0.542 -12.064 1.00 0.72 O ATOM 1053 CB ASN A 62 -8.504 0.826 -9.821 1.00 0.93 C ATOM 1054 CG ASN A 62 -9.606 1.195 -10.819 1.00 1.75 C ATOM 1055 OD1 ASN A 62 -10.734 1.484 -10.436 1.00 2.12 O ATOM 1056 ND2 ASN A 62 -9.336 1.211 -12.110 1.00 3.37 N ATOM 0 H ASN A 62 -6.974 -0.360 -8.095 1.00 0.63 H new ATOM 0 HA ASN A 62 -9.008 -1.244 -10.052 1.00 0.75 H new ATOM 0 HB2 ASN A 62 -8.832 1.102 -8.819 1.00 0.93 H new ATOM 0 HB3 ASN A 62 -7.618 1.421 -10.042 1.00 0.93 H new ATOM 0 HD21 ASN A 62 -10.063 1.462 -12.780 1.00 3.37 H new ATOM 0 HD22 ASN A 62 -8.400 0.972 -12.438 1.00 3.37 H new ATOM 1063 N TYR A 63 -6.116 -1.887 -10.648 1.00 0.51 N ATOM 1064 CA TYR A 63 -5.245 -2.474 -11.670 1.00 0.50 C ATOM 1065 C TYR A 63 -6.064 -3.139 -12.800 1.00 0.56 C ATOM 1066 O TYR A 63 -7.151 -3.672 -12.535 1.00 0.61 O ATOM 1067 CB TYR A 63 -4.334 -3.528 -11.023 1.00 0.45 C ATOM 1068 CG TYR A 63 -3.242 -3.051 -10.086 1.00 0.38 C ATOM 1069 CD1 TYR A 63 -2.713 -1.746 -10.159 1.00 1.75 C ATOM 1070 CD2 TYR A 63 -2.787 -3.935 -9.089 1.00 1.68 C ATOM 1071 CE1 TYR A 63 -1.788 -1.304 -9.199 1.00 1.82 C ATOM 1072 CE2 TYR A 63 -1.878 -3.491 -8.113 1.00 1.66 C ATOM 1073 CZ TYR A 63 -1.369 -2.169 -8.166 1.00 0.51 C ATOM 1074 OH TYR A 63 -0.480 -1.700 -7.247 1.00 0.69 O ATOM 0 H TYR A 63 -5.903 -2.197 -9.700 1.00 0.51 H new ATOM 0 HA TYR A 63 -4.649 -1.671 -12.105 1.00 0.50 H new ATOM 0 HB2 TYR A 63 -4.967 -4.222 -10.471 1.00 0.45 H new ATOM 0 HB3 TYR A 63 -3.861 -4.096 -11.824 1.00 0.45 H new ATOM 0 HD1 TYR A 63 -3.020 -1.084 -10.955 1.00 1.75 H new ATOM 0 HD2 TYR A 63 -3.137 -4.957 -9.074 1.00 1.68 H new ATOM 0 HE1 TYR A 63 -1.396 -0.299 -9.252 1.00 1.82 H new ATOM 0 HE2 TYR A 63 -1.567 -4.158 -7.322 1.00 1.66 H new ATOM 0 HH TYR A 63 -0.282 -2.404 -6.594 1.00 0.69 H new ATOM 1084 N PRO A 64 -5.556 -3.127 -14.048 1.00 0.55 N ATOM 1085 CA PRO A 64 -6.260 -3.694 -15.187 1.00 0.57 C ATOM 1086 C PRO A 64 -6.413 -5.202 -14.990 1.00 0.56 C ATOM 1087 O PRO A 64 -5.504 -5.861 -14.483 1.00 0.54 O ATOM 1088 CB PRO A 64 -5.442 -3.322 -16.430 1.00 0.59 C ATOM 1089 CG PRO A 64 -4.044 -3.008 -15.897 1.00 0.56 C ATOM 1090 CD PRO A 64 -4.280 -2.562 -14.459 1.00 0.55 C ATOM 0 HA PRO A 64 -7.271 -3.304 -15.299 1.00 0.57 H new ATOM 0 HB2 PRO A 64 -5.417 -4.142 -17.147 1.00 0.59 H new ATOM 0 HB3 PRO A 64 -5.872 -2.462 -16.944 1.00 0.59 H new ATOM 0 HG2 PRO A 64 -3.396 -3.883 -15.941 1.00 0.56 H new ATOM 0 HG3 PRO A 64 -3.562 -2.225 -16.482 1.00 0.56 H new ATOM 0 HD2 PRO A 64 -3.476 -2.909 -13.810 1.00 0.55 H new ATOM 0 HD3 PRO A 64 -4.298 -1.474 -14.390 1.00 0.55 H new ATOM 1098 N GLU A 65 -7.561 -5.760 -15.384 1.00 0.57 N ATOM 1099 CA GLU A 65 -7.872 -7.175 -15.160 1.00 0.58 C ATOM 1100 C GLU A 65 -6.856 -8.113 -15.838 1.00 0.58 C ATOM 1101 O GLU A 65 -6.627 -9.220 -15.361 1.00 0.59 O ATOM 1102 CB GLU A 65 -9.312 -7.467 -15.610 1.00 0.62 C ATOM 1103 CG GLU A 65 -9.475 -7.558 -17.132 1.00 0.62 C ATOM 1104 CD GLU A 65 -10.953 -7.707 -17.523 1.00 0.82 C ATOM 1105 OE1 GLU A 65 -11.454 -8.855 -17.589 1.00 2.24 O ATOM 1106 OE2 GLU A 65 -11.624 -6.678 -17.772 1.00 1.68 O ATOM 0 H GLU A 65 -8.299 -5.246 -15.866 1.00 0.57 H new ATOM 0 HA GLU A 65 -7.793 -7.375 -14.091 1.00 0.58 H new ATOM 0 HB2 GLU A 65 -9.640 -8.405 -15.161 1.00 0.62 H new ATOM 0 HB3 GLU A 65 -9.968 -6.684 -15.229 1.00 0.62 H new ATOM 0 HG2 GLU A 65 -9.061 -6.665 -17.599 1.00 0.62 H new ATOM 0 HG3 GLU A 65 -8.908 -8.408 -17.511 1.00 0.62 H new ATOM 1113 N ALA A 66 -6.193 -7.655 -16.906 1.00 0.58 N ATOM 1114 CA ALA A 66 -5.116 -8.378 -17.577 1.00 0.60 C ATOM 1115 C ALA A 66 -3.840 -8.475 -16.717 1.00 0.58 C ATOM 1116 O ALA A 66 -3.164 -9.501 -16.763 1.00 0.67 O ATOM 1117 CB ALA A 66 -4.858 -7.694 -18.924 1.00 0.60 C ATOM 0 H ALA A 66 -6.397 -6.752 -17.334 1.00 0.58 H new ATOM 0 HA ALA A 66 -5.420 -9.412 -17.740 1.00 0.60 H new ATOM 0 HB1 ALA A 66 -4.056 -8.214 -19.448 1.00 0.60 H new ATOM 0 HB2 ALA A 66 -5.765 -7.724 -19.527 1.00 0.60 H new ATOM 0 HB3 ALA A 66 -4.568 -6.657 -18.756 1.00 0.60 H new ATOM 1123 N TRP A 67 -3.550 -7.470 -15.877 1.00 0.52 N ATOM 1124 CA TRP A 67 -2.476 -7.536 -14.875 1.00 0.49 C ATOM 1125 C TRP A 67 -2.916 -8.374 -13.670 1.00 0.48 C ATOM 1126 O TRP A 67 -2.173 -9.238 -13.208 1.00 0.50 O ATOM 1127 CB TRP A 67 -2.051 -6.121 -14.429 1.00 0.48 C ATOM 1128 CG TRP A 67 -1.028 -6.027 -13.325 1.00 0.48 C ATOM 1129 CD1 TRP A 67 -1.054 -5.112 -12.327 1.00 0.56 C ATOM 1130 CD2 TRP A 67 0.168 -6.839 -13.068 1.00 0.52 C ATOM 1131 NE1 TRP A 67 -0.019 -5.338 -11.446 1.00 0.62 N ATOM 1132 CE2 TRP A 67 0.765 -6.391 -11.847 1.00 0.61 C ATOM 1133 CE3 TRP A 67 0.818 -7.909 -13.726 1.00 0.56 C ATOM 1134 CZ2 TRP A 67 1.903 -6.991 -11.291 1.00 0.76 C ATOM 1135 CZ3 TRP A 67 1.956 -8.523 -13.169 1.00 0.69 C ATOM 1136 CH2 TRP A 67 2.493 -8.073 -11.957 1.00 0.80 C ATOM 0 H TRP A 67 -4.056 -6.585 -15.874 1.00 0.52 H new ATOM 0 HA TRP A 67 -1.613 -8.019 -15.333 1.00 0.49 H new ATOM 0 HB2 TRP A 67 -1.658 -5.596 -15.300 1.00 0.48 H new ATOM 0 HB3 TRP A 67 -2.944 -5.585 -14.109 1.00 0.48 H new ATOM 0 HD1 TRP A 67 -1.781 -4.319 -12.235 1.00 0.56 H new ATOM 0 HE1 TRP A 67 0.144 -4.791 -10.601 1.00 0.62 H new ATOM 0 HE3 TRP A 67 0.435 -8.261 -14.672 1.00 0.56 H new ATOM 0 HZ2 TRP A 67 2.319 -6.625 -10.364 1.00 0.76 H new ATOM 0 HZ3 TRP A 67 2.420 -9.351 -13.683 1.00 0.69 H new ATOM 0 HH2 TRP A 67 3.361 -8.559 -11.536 1.00 0.80 H new ATOM 1147 N VAL A 68 -4.142 -8.146 -13.196 1.00 0.48 N ATOM 1148 CA VAL A 68 -4.693 -8.794 -11.994 1.00 0.50 C ATOM 1149 C VAL A 68 -4.876 -10.302 -12.208 1.00 0.55 C ATOM 1150 O VAL A 68 -4.527 -11.093 -11.329 1.00 0.57 O ATOM 1151 CB VAL A 68 -6.021 -8.121 -11.573 1.00 0.51 C ATOM 1152 CG1 VAL A 68 -6.727 -8.806 -10.399 1.00 0.54 C ATOM 1153 CG2 VAL A 68 -5.780 -6.664 -11.151 1.00 0.49 C ATOM 0 H VAL A 68 -4.793 -7.498 -13.639 1.00 0.48 H new ATOM 0 HA VAL A 68 -3.977 -8.666 -11.182 1.00 0.50 H new ATOM 0 HB VAL A 68 -6.657 -8.197 -12.455 1.00 0.51 H new ATOM 0 HG11 VAL A 68 -7.649 -8.272 -10.167 1.00 0.54 H new ATOM 0 HG12 VAL A 68 -6.962 -9.836 -10.667 1.00 0.54 H new ATOM 0 HG13 VAL A 68 -6.074 -8.797 -9.526 1.00 0.54 H new ATOM 0 HG21 VAL A 68 -6.726 -6.209 -10.859 1.00 0.49 H new ATOM 0 HG22 VAL A 68 -5.089 -6.639 -10.308 1.00 0.49 H new ATOM 0 HG23 VAL A 68 -5.353 -6.109 -11.986 1.00 0.49 H new ATOM 1163 N SER A 69 -5.379 -10.721 -13.373 1.00 0.58 N ATOM 1164 CA SER A 69 -5.468 -12.149 -13.717 1.00 0.64 C ATOM 1165 C SER A 69 -4.084 -12.772 -13.904 1.00 0.65 C ATOM 1166 O SER A 69 -3.813 -13.819 -13.329 1.00 0.69 O ATOM 1167 CB SER A 69 -6.312 -12.371 -14.978 1.00 0.68 C ATOM 1168 OG SER A 69 -6.743 -13.724 -15.064 1.00 0.71 O ATOM 0 H SER A 69 -5.732 -10.094 -14.096 1.00 0.58 H new ATOM 0 HA SER A 69 -5.958 -12.643 -12.878 1.00 0.64 H new ATOM 0 HB2 SER A 69 -7.178 -11.709 -14.963 1.00 0.68 H new ATOM 0 HB3 SER A 69 -5.729 -12.113 -15.862 1.00 0.68 H new ATOM 0 HG SER A 69 -7.281 -13.845 -15.874 1.00 0.71 H new ATOM 1174 N TYR A 70 -3.174 -12.126 -14.645 1.00 0.61 N ATOM 1175 CA TYR A 70 -1.827 -12.650 -14.908 1.00 0.62 C ATOM 1176 C TYR A 70 -1.026 -12.865 -13.612 1.00 0.63 C ATOM 1177 O TYR A 70 -0.416 -13.917 -13.430 1.00 0.67 O ATOM 1178 CB TYR A 70 -1.123 -11.692 -15.868 1.00 0.61 C ATOM 1179 CG TYR A 70 0.320 -12.043 -16.141 1.00 0.63 C ATOM 1180 CD1 TYR A 70 0.654 -13.037 -17.077 1.00 2.03 C ATOM 1181 CD2 TYR A 70 1.330 -11.361 -15.447 1.00 1.97 C ATOM 1182 CE1 TYR A 70 2.007 -13.340 -17.323 1.00 2.02 C ATOM 1183 CE2 TYR A 70 2.683 -11.641 -15.704 1.00 2.03 C ATOM 1184 CZ TYR A 70 3.028 -12.636 -16.644 1.00 0.73 C ATOM 1185 OH TYR A 70 4.338 -12.907 -16.903 1.00 0.80 O ATOM 0 H TYR A 70 -3.352 -11.221 -15.081 1.00 0.61 H new ATOM 0 HA TYR A 70 -1.902 -13.636 -15.367 1.00 0.62 H new ATOM 0 HB2 TYR A 70 -1.667 -11.676 -16.812 1.00 0.61 H new ATOM 0 HB3 TYR A 70 -1.169 -10.684 -15.457 1.00 0.61 H new ATOM 0 HD1 TYR A 70 -0.125 -13.567 -17.606 1.00 2.03 H new ATOM 0 HD2 TYR A 70 1.066 -10.616 -14.711 1.00 1.97 H new ATOM 0 HE1 TYR A 70 2.266 -14.112 -18.032 1.00 2.02 H new ATOM 0 HE2 TYR A 70 3.457 -11.096 -15.184 1.00 2.03 H new ATOM 0 HH TYR A 70 4.907 -12.332 -16.350 1.00 0.80 H new ATOM 1195 N TYR A 71 -1.095 -11.917 -12.672 1.00 0.61 N ATOM 1196 CA TYR A 71 -0.485 -12.027 -11.346 1.00 0.63 C ATOM 1197 C TYR A 71 -1.017 -13.246 -10.564 1.00 0.68 C ATOM 1198 O TYR A 71 -0.240 -13.978 -9.952 1.00 0.72 O ATOM 1199 CB TYR A 71 -0.772 -10.717 -10.596 1.00 0.58 C ATOM 1200 CG TYR A 71 -0.146 -10.607 -9.221 1.00 0.88 C ATOM 1201 CD1 TYR A 71 -0.775 -11.182 -8.099 1.00 1.43 C ATOM 1202 CD2 TYR A 71 1.050 -9.884 -9.053 1.00 2.31 C ATOM 1203 CE1 TYR A 71 -0.206 -11.037 -6.820 1.00 1.68 C ATOM 1204 CE2 TYR A 71 1.616 -9.731 -7.776 1.00 2.72 C ATOM 1205 CZ TYR A 71 0.993 -10.313 -6.653 1.00 1.90 C ATOM 1206 OH TYR A 71 1.530 -10.146 -5.417 1.00 2.45 O ATOM 0 H TYR A 71 -1.586 -11.035 -12.816 1.00 0.61 H new ATOM 0 HA TYR A 71 0.589 -12.183 -11.447 1.00 0.63 H new ATOM 0 HB2 TYR A 71 -0.420 -9.884 -11.205 1.00 0.58 H new ATOM 0 HB3 TYR A 71 -1.851 -10.604 -10.496 1.00 0.58 H new ATOM 0 HD1 TYR A 71 -1.695 -11.735 -8.221 1.00 1.43 H new ATOM 0 HD2 TYR A 71 1.536 -9.444 -9.911 1.00 2.31 H new ATOM 0 HE1 TYR A 71 -0.689 -11.482 -5.963 1.00 1.68 H new ATOM 0 HE2 TYR A 71 2.529 -9.167 -7.655 1.00 2.72 H new ATOM 0 HH TYR A 71 2.171 -9.405 -5.436 1.00 2.45 H new ATOM 1216 N GLN A 72 -2.332 -13.493 -10.601 1.00 0.71 N ATOM 1217 CA GLN A 72 -2.958 -14.661 -9.970 1.00 0.79 C ATOM 1218 C GLN A 72 -2.674 -15.975 -10.718 1.00 0.84 C ATOM 1219 O GLN A 72 -2.492 -17.008 -10.078 1.00 0.87 O ATOM 1220 CB GLN A 72 -4.475 -14.429 -9.842 1.00 0.82 C ATOM 1221 CG GLN A 72 -4.828 -13.554 -8.626 1.00 0.84 C ATOM 1222 CD GLN A 72 -6.299 -13.698 -8.231 1.00 1.11 C ATOM 1223 OE1 GLN A 72 -6.649 -14.360 -7.261 1.00 1.63 O ATOM 1224 NE2 GLN A 72 -7.224 -13.120 -8.971 1.00 2.12 N ATOM 0 H GLN A 72 -2.998 -12.882 -11.074 1.00 0.71 H new ATOM 0 HA GLN A 72 -2.514 -14.771 -8.981 1.00 0.79 H new ATOM 0 HB2 GLN A 72 -4.846 -13.953 -10.750 1.00 0.82 H new ATOM 0 HB3 GLN A 72 -4.982 -15.390 -9.756 1.00 0.82 H new ATOM 0 HG2 GLN A 72 -4.196 -13.832 -7.782 1.00 0.84 H new ATOM 0 HG3 GLN A 72 -4.613 -12.510 -8.855 1.00 0.84 H new ATOM 0 HE21 GLN A 72 -6.954 -12.565 -9.783 1.00 2.12 H new ATOM 0 HE22 GLN A 72 -8.210 -13.228 -8.732 1.00 2.12 H new ATOM 1233 N ALA A 73 -2.609 -15.954 -12.052 1.00 0.89 N ATOM 1234 CA ALA A 73 -2.498 -17.139 -12.907 1.00 1.00 C ATOM 1235 C ALA A 73 -1.188 -17.919 -12.693 1.00 0.98 C ATOM 1236 O ALA A 73 -1.190 -19.151 -12.737 1.00 1.00 O ATOM 1237 CB ALA A 73 -2.657 -16.675 -14.363 1.00 1.18 C ATOM 0 H ALA A 73 -2.633 -15.084 -12.584 1.00 0.89 H new ATOM 0 HA ALA A 73 -3.284 -17.846 -12.643 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -2.579 -17.534 -15.029 1.00 1.18 H new ATOM 0 HB2 ALA A 73 -3.632 -16.204 -14.490 1.00 1.18 H new ATOM 0 HB3 ALA A 73 -1.873 -15.957 -14.604 1.00 1.18 H new ATOM 1243 N LYS A 74 -0.081 -17.213 -12.425 1.00 1.00 N ATOM 1244 CA LYS A 74 1.215 -17.797 -12.027 1.00 1.09 C ATOM 1245 C LYS A 74 1.482 -17.668 -10.503 1.00 0.95 C ATOM 1246 O LYS A 74 2.549 -18.055 -10.022 1.00 1.05 O ATOM 1247 CB LYS A 74 2.389 -17.287 -12.910 1.00 1.39 C ATOM 1248 CG LYS A 74 2.167 -16.020 -13.754 1.00 1.61 C ATOM 1249 CD LYS A 74 1.353 -16.296 -15.032 1.00 1.77 C ATOM 1250 CE LYS A 74 2.276 -16.553 -16.233 1.00 2.58 C ATOM 1251 NZ LYS A 74 1.508 -16.943 -17.446 1.00 2.97 N ATOM 0 H LYS A 74 -0.057 -16.195 -12.479 1.00 1.00 H new ATOM 0 HA LYS A 74 1.150 -18.868 -12.218 1.00 1.09 H new ATOM 0 HB2 LYS A 74 3.243 -17.107 -12.257 1.00 1.39 H new ATOM 0 HB3 LYS A 74 2.671 -18.093 -13.587 1.00 1.39 H new ATOM 0 HG2 LYS A 74 1.650 -15.273 -13.152 1.00 1.61 H new ATOM 0 HG3 LYS A 74 3.133 -15.596 -14.027 1.00 1.61 H new ATOM 0 HD2 LYS A 74 0.707 -17.159 -14.875 1.00 1.77 H new ATOM 0 HD3 LYS A 74 0.704 -15.446 -15.244 1.00 1.77 H new ATOM 0 HE2 LYS A 74 2.857 -15.655 -16.444 1.00 2.58 H new ATOM 0 HE3 LYS A 74 2.986 -17.341 -15.983 1.00 2.58 H new ATOM 0 HZ1 LYS A 74 2.165 -17.108 -18.235 1.00 2.97 H new ATOM 0 HZ2 LYS A 74 0.973 -17.814 -17.253 1.00 2.97 H new ATOM 0 HZ3 LYS A 74 0.848 -16.180 -17.699 1.00 2.97 H new ATOM 1265 N ASN A 75 0.520 -17.135 -9.737 1.00 0.78 N ATOM 1266 CA ASN A 75 0.532 -17.008 -8.270 1.00 0.69 C ATOM 1267 C ASN A 75 1.712 -16.167 -7.736 1.00 0.66 C ATOM 1268 O ASN A 75 2.465 -16.581 -6.850 1.00 0.70 O ATOM 1269 CB ASN A 75 0.366 -18.379 -7.590 1.00 0.88 C ATOM 1270 CG ASN A 75 -1.055 -18.917 -7.727 1.00 1.26 C ATOM 1271 OD1 ASN A 75 -1.957 -18.513 -7.002 1.00 2.90 O ATOM 1272 ND2 ASN A 75 -1.301 -19.837 -8.644 1.00 1.54 N ATOM 0 H ASN A 75 -0.336 -16.759 -10.146 1.00 0.78 H new ATOM 0 HA ASN A 75 -0.344 -16.424 -7.988 1.00 0.69 H new ATOM 0 HB2 ASN A 75 1.066 -19.089 -8.030 1.00 0.88 H new ATOM 0 HB3 ASN A 75 0.621 -18.293 -6.534 1.00 0.88 H new ATOM 0 HD21 ASN A 75 -2.243 -20.213 -8.750 1.00 1.54 H new ATOM 0 HD22 ASN A 75 -0.548 -20.171 -9.246 1.00 1.54 H new ATOM 1279 N PHE A 76 1.869 -14.951 -8.267 1.00 0.63 N ATOM 1280 CA PHE A 76 2.958 -14.025 -7.936 1.00 0.64 C ATOM 1281 C PHE A 76 2.921 -13.458 -6.506 1.00 0.58 C ATOM 1282 O PHE A 76 3.899 -12.829 -6.102 1.00 0.63 O ATOM 1283 CB PHE A 76 3.055 -12.933 -9.021 1.00 0.64 C ATOM 1284 CG PHE A 76 3.682 -13.332 -10.355 1.00 0.76 C ATOM 1285 CD1 PHE A 76 4.196 -14.629 -10.588 1.00 2.21 C ATOM 1286 CD2 PHE A 76 3.811 -12.354 -11.365 1.00 1.64 C ATOM 1287 CE1 PHE A 76 4.835 -14.932 -11.800 1.00 2.39 C ATOM 1288 CE2 PHE A 76 4.442 -12.667 -12.584 1.00 1.59 C ATOM 1289 CZ PHE A 76 4.937 -13.962 -12.803 1.00 1.11 C ATOM 0 H PHE A 76 1.223 -14.572 -8.960 1.00 0.63 H new ATOM 0 HA PHE A 76 3.879 -14.608 -7.936 1.00 0.64 H new ATOM 0 HB2 PHE A 76 2.049 -12.561 -9.218 1.00 0.64 H new ATOM 0 HB3 PHE A 76 3.629 -12.101 -8.613 1.00 0.64 H new ATOM 0 HD1 PHE A 76 4.096 -15.391 -9.829 1.00 2.21 H new ATOM 0 HD2 PHE A 76 3.423 -11.359 -11.201 1.00 1.64 H new ATOM 0 HE1 PHE A 76 5.249 -15.917 -11.959 1.00 2.39 H new ATOM 0 HE2 PHE A 76 4.545 -11.912 -13.349 1.00 1.59 H new ATOM 0 HZ PHE A 76 5.398 -14.210 -13.748 1.00 1.11 H new ATOM 1299 N LEU A 77 1.916 -13.786 -5.678 1.00 0.58 N ATOM 1300 CA LEU A 77 2.024 -13.589 -4.223 1.00 0.61 C ATOM 1301 C LEU A 77 3.249 -14.308 -3.612 1.00 0.68 C ATOM 1302 O LEU A 77 3.747 -13.883 -2.572 1.00 0.75 O ATOM 1303 CB LEU A 77 0.732 -14.007 -3.486 1.00 0.71 C ATOM 1304 CG LEU A 77 -0.470 -13.069 -3.727 1.00 0.64 C ATOM 1305 CD1 LEU A 77 -1.434 -13.631 -4.785 1.00 1.31 C ATOM 1306 CD2 LEU A 77 -1.281 -12.819 -2.452 1.00 1.06 C ATOM 0 H LEU A 77 1.029 -14.184 -5.986 1.00 0.58 H new ATOM 0 HA LEU A 77 2.169 -12.518 -4.080 1.00 0.61 H new ATOM 0 HB2 LEU A 77 0.459 -15.015 -3.799 1.00 0.71 H new ATOM 0 HB3 LEU A 77 0.936 -14.049 -2.416 1.00 0.71 H new ATOM 0 HG LEU A 77 -0.033 -12.133 -4.074 1.00 0.64 H new ATOM 0 HD11 LEU A 77 -2.265 -12.940 -4.924 1.00 1.31 H new ATOM 0 HD12 LEU A 77 -0.905 -13.756 -5.730 1.00 1.31 H new ATOM 0 HD13 LEU A 77 -1.816 -14.596 -4.453 1.00 1.31 H new ATOM 0 HD21 LEU A 77 -2.115 -12.153 -2.676 1.00 1.06 H new ATOM 0 HD22 LEU A 77 -1.665 -13.766 -2.073 1.00 1.06 H new ATOM 0 HD23 LEU A 77 -0.642 -12.359 -1.698 1.00 1.06 H new ATOM 1318 N ALA A 78 3.767 -15.359 -4.263 1.00 0.72 N ATOM 1319 CA ALA A 78 4.973 -16.074 -3.842 1.00 0.80 C ATOM 1320 C ALA A 78 6.294 -15.352 -4.186 1.00 0.68 C ATOM 1321 O ALA A 78 7.323 -15.659 -3.579 1.00 0.74 O ATOM 1322 CB ALA A 78 4.931 -17.462 -4.494 1.00 0.91 C ATOM 0 H ALA A 78 3.350 -15.740 -5.112 1.00 0.72 H new ATOM 0 HA ALA A 78 4.968 -16.134 -2.754 1.00 0.80 H new ATOM 0 HB1 ALA A 78 5.816 -18.027 -4.203 1.00 0.91 H new ATOM 0 HB2 ALA A 78 4.037 -17.992 -4.164 1.00 0.91 H new ATOM 0 HB3 ALA A 78 4.909 -17.354 -5.578 1.00 0.91 H new ATOM 1328 N ILE A 79 6.294 -14.424 -5.155 1.00 0.56 N ATOM 1329 CA ILE A 79 7.519 -13.790 -5.700 1.00 0.48 C ATOM 1330 C ILE A 79 7.558 -12.267 -5.541 1.00 0.45 C ATOM 1331 O ILE A 79 8.631 -11.673 -5.653 1.00 0.45 O ATOM 1332 CB ILE A 79 7.772 -14.219 -7.170 1.00 0.47 C ATOM 1333 CG1 ILE A 79 6.756 -13.674 -8.201 1.00 0.57 C ATOM 1334 CG2 ILE A 79 7.815 -15.756 -7.258 1.00 0.55 C ATOM 1335 CD1 ILE A 79 7.234 -12.412 -8.925 1.00 0.67 C ATOM 0 H ILE A 79 5.437 -14.084 -5.592 1.00 0.56 H new ATOM 0 HA ILE A 79 8.340 -14.164 -5.088 1.00 0.48 H new ATOM 0 HB ILE A 79 8.729 -13.773 -7.440 1.00 0.47 H new ATOM 0 HG12 ILE A 79 6.548 -14.449 -8.939 1.00 0.57 H new ATOM 0 HG13 ILE A 79 5.816 -13.457 -7.693 1.00 0.57 H new ATOM 0 HG21 ILE A 79 7.993 -16.056 -8.291 1.00 0.55 H new ATOM 0 HG22 ILE A 79 8.619 -16.134 -6.627 1.00 0.55 H new ATOM 0 HG23 ILE A 79 6.864 -16.167 -6.919 1.00 0.55 H new ATOM 0 HD11 ILE A 79 6.471 -12.087 -9.632 1.00 0.67 H new ATOM 0 HD12 ILE A 79 7.414 -11.621 -8.197 1.00 0.67 H new ATOM 0 HD13 ILE A 79 8.158 -12.628 -9.462 1.00 0.67 H new ATOM 1347 N ASP A 80 6.425 -11.627 -5.250 1.00 0.46 N ATOM 1348 CA ASP A 80 6.323 -10.186 -5.050 1.00 0.50 C ATOM 1349 C ASP A 80 6.784 -9.802 -3.627 1.00 0.55 C ATOM 1350 O ASP A 80 6.189 -10.277 -2.652 1.00 0.69 O ATOM 1351 CB ASP A 80 4.866 -9.769 -5.294 1.00 0.64 C ATOM 1352 CG ASP A 80 4.646 -8.253 -5.271 1.00 1.11 C ATOM 1353 OD1 ASP A 80 5.561 -7.512 -4.838 1.00 2.22 O ATOM 1354 OD2 ASP A 80 3.532 -7.838 -5.668 1.00 1.81 O ATOM 0 H ASP A 80 5.533 -12.110 -5.145 1.00 0.46 H new ATOM 0 HA ASP A 80 6.973 -9.662 -5.750 1.00 0.50 H new ATOM 0 HB2 ASP A 80 4.543 -10.159 -6.259 1.00 0.64 H new ATOM 0 HB3 ASP A 80 4.234 -10.230 -4.535 1.00 0.64 H new ATOM 1359 N PRO A 81 7.804 -8.932 -3.470 1.00 0.54 N ATOM 1360 CA PRO A 81 8.279 -8.520 -2.158 1.00 0.60 C ATOM 1361 C PRO A 81 7.358 -7.511 -1.454 1.00 0.66 C ATOM 1362 O PRO A 81 7.511 -7.349 -0.245 1.00 0.73 O ATOM 1363 CB PRO A 81 9.676 -7.946 -2.404 1.00 0.63 C ATOM 1364 CG PRO A 81 9.576 -7.373 -3.815 1.00 0.63 C ATOM 1365 CD PRO A 81 8.651 -8.366 -4.515 1.00 0.61 C ATOM 0 HA PRO A 81 8.294 -9.368 -1.473 1.00 0.60 H new ATOM 0 HB2 PRO A 81 9.929 -7.177 -1.674 1.00 0.63 H new ATOM 0 HB3 PRO A 81 10.445 -8.716 -2.336 1.00 0.63 H new ATOM 0 HG2 PRO A 81 9.162 -6.365 -3.814 1.00 0.63 H new ATOM 0 HG3 PRO A 81 10.551 -7.317 -4.299 1.00 0.63 H new ATOM 0 HD2 PRO A 81 8.051 -7.869 -5.277 1.00 0.61 H new ATOM 0 HD3 PRO A 81 9.224 -9.145 -5.018 1.00 0.61 H new ATOM 1373 N VAL A 82 6.401 -6.848 -2.134 1.00 0.67 N ATOM 1374 CA VAL A 82 5.626 -5.748 -1.506 1.00 0.77 C ATOM 1375 C VAL A 82 4.647 -6.205 -0.410 1.00 0.86 C ATOM 1376 O VAL A 82 4.113 -5.373 0.315 1.00 1.02 O ATOM 1377 CB VAL A 82 4.865 -4.854 -2.515 1.00 0.85 C ATOM 1378 CG1 VAL A 82 5.787 -4.304 -3.619 1.00 2.25 C ATOM 1379 CG2 VAL A 82 3.611 -5.531 -3.082 1.00 1.62 C ATOM 0 H VAL A 82 6.146 -7.047 -3.101 1.00 0.67 H new ATOM 0 HA VAL A 82 6.410 -5.153 -1.037 1.00 0.77 H new ATOM 0 HB VAL A 82 4.510 -3.993 -1.949 1.00 0.85 H new ATOM 0 HG11 VAL A 82 5.207 -3.683 -4.302 1.00 2.25 H new ATOM 0 HG12 VAL A 82 6.578 -3.705 -3.168 1.00 2.25 H new ATOM 0 HG13 VAL A 82 6.230 -5.134 -4.170 1.00 2.25 H new ATOM 0 HG21 VAL A 82 3.119 -4.857 -3.783 1.00 1.62 H new ATOM 0 HG22 VAL A 82 3.895 -6.448 -3.598 1.00 1.62 H new ATOM 0 HG23 VAL A 82 2.927 -5.770 -2.268 1.00 1.62 H new ATOM 1389 N LEU A 83 4.400 -7.513 -0.279 1.00 0.84 N ATOM 1390 CA LEU A 83 3.524 -8.086 0.753 1.00 0.99 C ATOM 1391 C LEU A 83 4.283 -8.857 1.844 1.00 1.02 C ATOM 1392 O LEU A 83 3.665 -9.310 2.809 1.00 1.20 O ATOM 1393 CB LEU A 83 2.444 -8.926 0.042 1.00 1.04 C ATOM 1394 CG LEU A 83 2.927 -10.178 -0.729 1.00 0.88 C ATOM 1395 CD1 LEU A 83 3.107 -11.406 0.181 1.00 1.08 C ATOM 1396 CD2 LEU A 83 1.886 -10.511 -1.800 1.00 1.02 C ATOM 0 H LEU A 83 4.809 -8.215 -0.896 1.00 0.84 H new ATOM 0 HA LEU A 83 3.046 -7.280 1.309 1.00 0.99 H new ATOM 0 HB2 LEU A 83 1.717 -9.247 0.788 1.00 1.04 H new ATOM 0 HB3 LEU A 83 1.917 -8.278 -0.659 1.00 1.04 H new ATOM 0 HG LEU A 83 3.900 -9.948 -1.162 1.00 0.88 H new ATOM 0 HD11 LEU A 83 3.447 -12.253 -0.414 1.00 1.08 H new ATOM 0 HD12 LEU A 83 3.846 -11.183 0.950 1.00 1.08 H new ATOM 0 HD13 LEU A 83 2.156 -11.652 0.652 1.00 1.08 H new ATOM 0 HD21 LEU A 83 2.206 -11.392 -2.357 1.00 1.02 H new ATOM 0 HD22 LEU A 83 0.926 -10.711 -1.324 1.00 1.02 H new ATOM 0 HD23 LEU A 83 1.784 -9.667 -2.483 1.00 1.02 H new ATOM 1408 N ASN A 84 5.597 -9.037 1.679 1.00 0.90 N ATOM 1409 CA ASN A 84 6.406 -9.994 2.434 1.00 0.87 C ATOM 1410 C ASN A 84 7.237 -9.301 3.535 1.00 0.72 C ATOM 1411 O ASN A 84 8.165 -8.563 3.197 1.00 0.65 O ATOM 1412 CB ASN A 84 7.312 -10.715 1.430 1.00 0.93 C ATOM 1413 CG ASN A 84 8.031 -11.893 2.080 1.00 1.22 C ATOM 1414 OD1 ASN A 84 7.411 -12.834 2.557 1.00 1.76 O ATOM 1415 ND2 ASN A 84 9.347 -11.853 2.168 1.00 1.84 N ATOM 0 H ASN A 84 6.140 -8.506 0.998 1.00 0.90 H new ATOM 0 HA ASN A 84 5.759 -10.704 2.948 1.00 0.87 H new ATOM 0 HB2 ASN A 84 6.717 -11.069 0.588 1.00 0.93 H new ATOM 0 HB3 ASN A 84 8.045 -10.015 1.030 1.00 0.93 H new ATOM 0 HD21 ASN A 84 9.850 -12.608 2.635 1.00 1.84 H new ATOM 0 HD22 ASN A 84 9.861 -11.067 1.769 1.00 1.84 H new ATOM 1422 N PRO A 85 6.963 -9.538 4.836 1.00 0.71 N ATOM 1423 CA PRO A 85 7.435 -8.684 5.931 1.00 0.67 C ATOM 1424 C PRO A 85 8.959 -8.686 6.133 1.00 0.67 C ATOM 1425 O PRO A 85 9.493 -7.720 6.674 1.00 0.70 O ATOM 1426 CB PRO A 85 6.699 -9.186 7.181 1.00 0.71 C ATOM 1427 CG PRO A 85 6.379 -10.642 6.858 1.00 0.77 C ATOM 1428 CD PRO A 85 6.097 -10.586 5.358 1.00 0.79 C ATOM 0 HA PRO A 85 7.217 -7.641 5.703 1.00 0.67 H new ATOM 0 HB2 PRO A 85 7.321 -9.102 8.072 1.00 0.71 H new ATOM 0 HB3 PRO A 85 5.793 -8.610 7.370 1.00 0.71 H new ATOM 0 HG2 PRO A 85 7.213 -11.303 7.091 1.00 0.77 H new ATOM 0 HG3 PRO A 85 5.519 -11.004 7.421 1.00 0.77 H new ATOM 0 HD2 PRO A 85 6.310 -11.544 4.883 1.00 0.79 H new ATOM 0 HD3 PRO A 85 5.048 -10.361 5.164 1.00 0.79 H new ATOM 1436 N GLU A 86 9.671 -9.725 5.683 1.00 0.71 N ATOM 1437 CA GLU A 86 11.134 -9.823 5.811 1.00 0.79 C ATOM 1438 C GLU A 86 11.896 -8.867 4.872 1.00 0.75 C ATOM 1439 O GLU A 86 13.057 -8.546 5.137 1.00 0.82 O ATOM 1440 CB GLU A 86 11.592 -11.273 5.585 1.00 0.90 C ATOM 1441 CG GLU A 86 11.119 -12.211 6.708 1.00 1.15 C ATOM 1442 CD GLU A 86 11.606 -13.664 6.550 1.00 1.86 C ATOM 1443 OE1 GLU A 86 12.590 -13.932 5.820 1.00 2.66 O ATOM 1444 OE2 GLU A 86 11.006 -14.563 7.186 1.00 2.93 O ATOM 0 H GLU A 86 9.248 -10.528 5.217 1.00 0.71 H new ATOM 0 HA GLU A 86 11.377 -9.514 6.828 1.00 0.79 H new ATOM 0 HB2 GLU A 86 11.207 -11.629 4.629 1.00 0.90 H new ATOM 0 HB3 GLU A 86 12.680 -11.303 5.522 1.00 0.90 H new ATOM 0 HG2 GLU A 86 11.468 -11.822 7.665 1.00 1.15 H new ATOM 0 HG3 GLU A 86 10.029 -12.204 6.740 1.00 1.15 H new ATOM 1451 N ASN A 87 11.263 -8.372 3.798 1.00 0.68 N ATOM 1452 CA ASN A 87 11.852 -7.362 2.905 1.00 0.69 C ATOM 1453 C ASN A 87 11.821 -5.942 3.509 1.00 0.65 C ATOM 1454 O ASN A 87 12.613 -5.082 3.116 1.00 0.69 O ATOM 1455 CB ASN A 87 11.118 -7.394 1.554 1.00 0.76 C ATOM 1456 CG ASN A 87 11.413 -8.670 0.776 1.00 1.57 C ATOM 1457 OD1 ASN A 87 10.682 -9.649 0.841 1.00 3.25 O ATOM 1458 ND2 ASN A 87 12.509 -8.709 0.037 1.00 1.60 N ATOM 0 H ASN A 87 10.325 -8.662 3.523 1.00 0.68 H new ATOM 0 HA ASN A 87 12.904 -7.611 2.765 1.00 0.69 H new ATOM 0 HB2 ASN A 87 10.044 -7.312 1.722 1.00 0.76 H new ATOM 0 HB3 ASN A 87 11.414 -6.530 0.959 1.00 0.76 H new ATOM 0 HD21 ASN A 87 12.746 -9.556 -0.480 1.00 1.60 H new ATOM 0 HD22 ASN A 87 13.117 -7.892 -0.016 1.00 1.60 H new ATOM 1465 N PHE A 88 10.922 -5.689 4.467 1.00 0.63 N ATOM 1466 CA PHE A 88 10.697 -4.386 5.097 1.00 0.64 C ATOM 1467 C PHE A 88 11.703 -4.150 6.237 1.00 0.70 C ATOM 1468 O PHE A 88 11.345 -4.100 7.413 1.00 0.74 O ATOM 1469 CB PHE A 88 9.236 -4.300 5.564 1.00 0.62 C ATOM 1470 CG PHE A 88 8.248 -4.263 4.421 1.00 0.58 C ATOM 1471 CD1 PHE A 88 7.829 -5.453 3.802 1.00 1.54 C ATOM 1472 CD2 PHE A 88 7.771 -3.030 3.952 1.00 1.97 C ATOM 1473 CE1 PHE A 88 6.945 -5.415 2.709 1.00 1.48 C ATOM 1474 CE2 PHE A 88 6.854 -2.984 2.898 1.00 2.03 C ATOM 1475 CZ PHE A 88 6.455 -4.173 2.265 1.00 0.62 C ATOM 0 H PHE A 88 10.309 -6.415 4.838 1.00 0.63 H new ATOM 0 HA PHE A 88 10.866 -3.587 4.375 1.00 0.64 H new ATOM 0 HB2 PHE A 88 9.014 -5.156 6.201 1.00 0.62 H new ATOM 0 HB3 PHE A 88 9.108 -3.407 6.175 1.00 0.62 H new ATOM 0 HD1 PHE A 88 8.188 -6.403 4.168 1.00 1.54 H new ATOM 0 HD2 PHE A 88 8.114 -2.112 4.407 1.00 1.97 H new ATOM 0 HE1 PHE A 88 6.646 -6.328 2.216 1.00 1.48 H new ATOM 0 HE2 PHE A 88 6.453 -2.036 2.571 1.00 2.03 H new ATOM 0 HZ PHE A 88 5.768 -4.134 1.433 1.00 0.62 H new ATOM 1485 N SER A 89 12.981 -3.991 5.895 1.00 0.72 N ATOM 1486 CA SER A 89 14.090 -3.996 6.871 1.00 0.79 C ATOM 1487 C SER A 89 14.126 -2.737 7.759 1.00 0.83 C ATOM 1488 O SER A 89 14.693 -2.759 8.853 1.00 0.91 O ATOM 1489 CB SER A 89 15.428 -4.121 6.123 1.00 0.83 C ATOM 1490 OG SER A 89 15.473 -5.277 5.292 1.00 0.84 O ATOM 0 H SER A 89 13.286 -3.854 4.931 1.00 0.72 H new ATOM 0 HA SER A 89 13.925 -4.849 7.530 1.00 0.79 H new ATOM 0 HB2 SER A 89 15.586 -3.231 5.514 1.00 0.83 H new ATOM 0 HB3 SER A 89 16.244 -4.162 6.845 1.00 0.83 H new ATOM 0 HG SER A 89 16.339 -5.317 4.834 1.00 0.84 H new ATOM 1496 N GLN A 90 13.488 -1.649 7.312 1.00 0.80 N ATOM 1497 CA GLN A 90 13.231 -0.424 8.082 1.00 0.85 C ATOM 1498 C GLN A 90 11.712 -0.140 8.197 1.00 0.82 C ATOM 1499 O GLN A 90 11.298 1.003 8.391 1.00 0.86 O ATOM 1500 CB GLN A 90 14.006 0.743 7.431 1.00 0.92 C ATOM 1501 CG GLN A 90 15.535 0.621 7.583 1.00 0.99 C ATOM 1502 CD GLN A 90 16.051 0.785 9.020 1.00 1.97 C ATOM 1503 OE1 GLN A 90 15.349 1.184 9.944 1.00 3.02 O ATOM 1504 NE2 GLN A 90 17.312 0.495 9.272 1.00 2.71 N ATOM 0 H GLN A 90 13.120 -1.595 6.362 1.00 0.80 H new ATOM 0 HA GLN A 90 13.587 -0.547 9.105 1.00 0.85 H new ATOM 0 HB2 GLN A 90 13.756 0.789 6.371 1.00 0.92 H new ATOM 0 HB3 GLN A 90 13.677 1.682 7.877 1.00 0.92 H new ATOM 0 HG2 GLN A 90 15.847 -0.354 7.208 1.00 0.99 H new ATOM 0 HG3 GLN A 90 16.010 1.372 6.953 1.00 0.99 H new ATOM 0 HE21 GLN A 90 17.918 0.161 8.523 1.00 2.71 H new ATOM 0 HE22 GLN A 90 17.682 0.604 10.216 1.00 2.71 H new ATOM 1513 N GLY A 91 10.863 -1.169 8.035 1.00 0.76 N ATOM 1514 CA GLY A 91 9.394 -1.045 8.041 1.00 0.76 C ATOM 1515 C GLY A 91 8.815 -0.459 6.747 1.00 0.70 C ATOM 1516 O GLY A 91 7.654 -0.060 6.712 1.00 0.74 O ATOM 0 H GLY A 91 11.183 -2.127 7.894 1.00 0.76 H new ATOM 0 HA2 GLY A 91 8.957 -2.029 8.210 1.00 0.76 H new ATOM 0 HA3 GLY A 91 9.096 -0.415 8.879 1.00 0.76 H new ATOM 1520 N HIS A 92 9.613 -0.381 5.683 1.00 0.66 N ATOM 1521 CA HIS A 92 9.304 0.342 4.446 1.00 0.65 C ATOM 1522 C HIS A 92 10.016 -0.299 3.228 1.00 0.62 C ATOM 1523 O HIS A 92 11.020 -1.000 3.402 1.00 0.69 O ATOM 1524 CB HIS A 92 9.704 1.811 4.670 1.00 0.86 C ATOM 1525 CG HIS A 92 9.648 2.639 3.419 1.00 0.79 C ATOM 1526 ND1 HIS A 92 8.538 2.882 2.641 1.00 0.63 N ATOM 1527 CD2 HIS A 92 10.738 3.088 2.726 1.00 0.91 C ATOM 1528 CE1 HIS A 92 8.956 3.439 1.497 1.00 0.61 C ATOM 1529 NE2 HIS A 92 10.291 3.605 1.510 1.00 0.77 N ATOM 0 H HIS A 92 10.526 -0.835 5.656 1.00 0.66 H new ATOM 0 HA HIS A 92 8.241 0.287 4.213 1.00 0.65 H new ATOM 0 HB2 HIS A 92 9.044 2.250 5.418 1.00 0.86 H new ATOM 0 HB3 HIS A 92 10.715 1.847 5.076 1.00 0.86 H new ATOM 0 HD1 HIS A 92 7.571 2.675 2.891 1.00 0.63 H new ATOM 0 HD2 HIS A 92 11.764 3.049 3.061 1.00 0.91 H new ATOM 0 HE1 HIS A 92 8.310 3.717 0.677 1.00 0.61 H new ATOM 1537 N LEU A 93 9.493 -0.082 2.008 1.00 0.58 N ATOM 1538 CA LEU A 93 9.997 -0.667 0.761 1.00 0.60 C ATOM 1539 C LEU A 93 9.806 0.276 -0.448 1.00 0.57 C ATOM 1540 O LEU A 93 8.800 0.978 -0.547 1.00 0.55 O ATOM 1541 CB LEU A 93 9.276 -2.009 0.529 1.00 0.60 C ATOM 1542 CG LEU A 93 10.018 -3.029 -0.351 1.00 0.67 C ATOM 1543 CD1 LEU A 93 11.210 -3.615 0.410 1.00 1.16 C ATOM 1544 CD2 LEU A 93 9.066 -4.174 -0.710 1.00 1.46 C ATOM 0 H LEU A 93 8.685 0.523 1.863 1.00 0.58 H new ATOM 0 HA LEU A 93 11.071 -0.826 0.856 1.00 0.60 H new ATOM 0 HB2 LEU A 93 9.083 -2.468 1.499 1.00 0.60 H new ATOM 0 HB3 LEU A 93 8.306 -1.804 0.075 1.00 0.60 H new ATOM 0 HG LEU A 93 10.369 -2.525 -1.252 1.00 0.67 H new ATOM 0 HD11 LEU A 93 11.727 -4.336 -0.223 1.00 1.16 H new ATOM 0 HD12 LEU A 93 11.897 -2.814 0.684 1.00 1.16 H new ATOM 0 HD13 LEU A 93 10.856 -4.113 1.312 1.00 1.16 H new ATOM 0 HD21 LEU A 93 9.588 -4.899 -1.334 1.00 1.46 H new ATOM 0 HD22 LEU A 93 8.722 -4.661 0.203 1.00 1.46 H new ATOM 0 HD23 LEU A 93 8.209 -3.777 -1.254 1.00 1.46 H new ATOM 1556 N MET A 94 10.749 0.265 -1.393 1.00 0.60 N ATOM 1557 CA MET A 94 10.692 1.025 -2.657 1.00 0.59 C ATOM 1558 C MET A 94 10.801 0.093 -3.871 1.00 0.63 C ATOM 1559 O MET A 94 11.405 -0.977 -3.784 1.00 0.78 O ATOM 1560 CB MET A 94 11.841 2.042 -2.689 1.00 0.69 C ATOM 1561 CG MET A 94 11.607 3.197 -1.713 1.00 0.87 C ATOM 1562 SD MET A 94 13.121 4.130 -1.389 1.00 0.89 S ATOM 1563 CE MET A 94 12.338 5.644 -0.811 1.00 0.79 C ATOM 0 H MET A 94 11.602 -0.288 -1.303 1.00 0.60 H new ATOM 0 HA MET A 94 9.732 1.539 -2.707 1.00 0.59 H new ATOM 0 HB2 MET A 94 12.777 1.541 -2.441 1.00 0.69 H new ATOM 0 HB3 MET A 94 11.949 2.436 -3.699 1.00 0.69 H new ATOM 0 HG2 MET A 94 10.849 3.867 -2.119 1.00 0.87 H new ATOM 0 HG3 MET A 94 11.216 2.804 -0.774 1.00 0.87 H new ATOM 0 HE1 MET A 94 13.055 6.464 -0.855 1.00 0.79 H new ATOM 0 HE2 MET A 94 11.482 5.876 -1.445 1.00 0.79 H new ATOM 0 HE3 MET A 94 12.003 5.510 0.218 1.00 0.79 H new ATOM 1573 N TRP A 95 10.240 0.500 -5.015 1.00 0.56 N ATOM 1574 CA TRP A 95 10.362 -0.247 -6.271 1.00 0.53 C ATOM 1575 C TRP A 95 11.677 0.138 -6.969 1.00 0.56 C ATOM 1576 O TRP A 95 11.857 1.292 -7.365 1.00 0.59 O ATOM 1577 CB TRP A 95 9.155 0.016 -7.190 1.00 0.46 C ATOM 1578 CG TRP A 95 7.766 -0.355 -6.733 1.00 0.50 C ATOM 1579 CD1 TRP A 95 7.316 -0.466 -5.460 1.00 0.62 C ATOM 1580 CD2 TRP A 95 6.586 -0.578 -7.573 1.00 0.51 C ATOM 1581 NE1 TRP A 95 5.955 -0.688 -5.454 1.00 0.69 N ATOM 1582 CE2 TRP A 95 5.447 -0.754 -6.729 1.00 0.63 C ATOM 1583 CE3 TRP A 95 6.354 -0.591 -8.967 1.00 0.50 C ATOM 1584 CZ2 TRP A 95 4.147 -0.903 -7.234 1.00 0.74 C ATOM 1585 CZ3 TRP A 95 5.055 -0.749 -9.486 1.00 0.63 C ATOM 1586 CH2 TRP A 95 3.953 -0.900 -8.625 1.00 0.74 C ATOM 0 H TRP A 95 9.690 1.355 -5.096 1.00 0.56 H new ATOM 0 HA TRP A 95 10.376 -1.314 -6.048 1.00 0.53 H new ATOM 0 HB2 TRP A 95 9.147 1.082 -7.419 1.00 0.46 H new ATOM 0 HB3 TRP A 95 9.340 -0.510 -8.127 1.00 0.46 H new ATOM 0 HD1 TRP A 95 7.934 -0.391 -4.577 1.00 0.62 H new ATOM 0 HE1 TRP A 95 5.395 -0.791 -4.608 1.00 0.69 H new ATOM 0 HE3 TRP A 95 7.187 -0.478 -9.645 1.00 0.50 H new ATOM 0 HZ2 TRP A 95 3.308 -1.018 -6.564 1.00 0.74 H new ATOM 0 HZ3 TRP A 95 4.903 -0.754 -10.555 1.00 0.63 H new ATOM 0 HH2 TRP A 95 2.959 -1.013 -9.033 1.00 0.74 H new ATOM 1597 N ASN A 96 12.585 -0.827 -7.138 1.00 0.61 N ATOM 1598 CA ASN A 96 13.909 -0.661 -7.751 1.00 0.69 C ATOM 1599 C ASN A 96 14.229 -1.854 -8.664 1.00 0.62 C ATOM 1600 O ASN A 96 13.840 -2.978 -8.358 1.00 0.59 O ATOM 1601 CB ASN A 96 14.976 -0.503 -6.653 1.00 0.93 C ATOM 1602 CG ASN A 96 14.841 0.818 -5.899 1.00 1.78 C ATOM 1603 OD1 ASN A 96 14.264 0.887 -4.821 1.00 3.18 O ATOM 1604 ND2 ASN A 96 15.357 1.905 -6.446 1.00 2.02 N ATOM 0 H ASN A 96 12.412 -1.787 -6.839 1.00 0.61 H new ATOM 0 HA ASN A 96 13.909 0.240 -8.365 1.00 0.69 H new ATOM 0 HB2 ASN A 96 14.894 -1.331 -5.949 1.00 0.93 H new ATOM 0 HB3 ASN A 96 15.968 -0.563 -7.102 1.00 0.93 H new ATOM 0 HD21 ASN A 96 15.275 2.803 -5.970 1.00 2.02 H new ATOM 0 HD22 ASN A 96 15.837 1.845 -7.344 1.00 2.02 H new ATOM 1611 N ASP A 97 14.950 -1.623 -9.766 1.00 0.64 N ATOM 1612 CA ASP A 97 15.247 -2.646 -10.785 1.00 0.60 C ATOM 1613 C ASP A 97 16.030 -3.852 -10.224 1.00 0.50 C ATOM 1614 O ASP A 97 15.819 -4.981 -10.656 1.00 0.54 O ATOM 1615 CB ASP A 97 16.015 -1.971 -11.931 1.00 0.69 C ATOM 1616 CG ASP A 97 16.308 -2.935 -13.090 1.00 1.95 C ATOM 1617 OD1 ASP A 97 15.370 -3.238 -13.866 1.00 3.05 O ATOM 1618 OD2 ASP A 97 17.480 -3.355 -13.243 1.00 3.53 O ATOM 0 H ASP A 97 15.351 -0.710 -9.982 1.00 0.64 H new ATOM 0 HA ASP A 97 14.304 -3.058 -11.146 1.00 0.60 H new ATOM 0 HB2 ASP A 97 15.437 -1.125 -12.303 1.00 0.69 H new ATOM 0 HB3 ASP A 97 16.954 -1.571 -11.549 1.00 0.69 H new ATOM 1623 N ASP A 98 16.886 -3.617 -9.224 1.00 0.48 N ATOM 1624 CA ASP A 98 17.612 -4.643 -8.465 1.00 0.54 C ATOM 1625 C ASP A 98 16.700 -5.433 -7.511 1.00 0.52 C ATOM 1626 O ASP A 98 16.746 -6.663 -7.471 1.00 0.63 O ATOM 1627 CB ASP A 98 18.705 -3.932 -7.662 1.00 0.67 C ATOM 1628 CG ASP A 98 19.483 -4.895 -6.750 1.00 2.43 C ATOM 1629 OD1 ASP A 98 20.273 -5.716 -7.275 1.00 3.59 O ATOM 1630 OD2 ASP A 98 19.311 -4.820 -5.511 1.00 3.80 O ATOM 0 H ASP A 98 17.101 -2.671 -8.908 1.00 0.48 H new ATOM 0 HA ASP A 98 18.029 -5.367 -9.165 1.00 0.54 H new ATOM 0 HB2 ASP A 98 19.398 -3.446 -8.348 1.00 0.67 H new ATOM 0 HB3 ASP A 98 18.254 -3.147 -7.056 1.00 0.67 H new ATOM 1635 N LEU A 99 15.838 -4.731 -6.770 1.00 0.49 N ATOM 1636 CA LEU A 99 14.862 -5.323 -5.850 1.00 0.52 C ATOM 1637 C LEU A 99 13.831 -6.183 -6.609 1.00 0.47 C ATOM 1638 O LEU A 99 13.356 -7.197 -6.096 1.00 0.62 O ATOM 1639 CB LEU A 99 14.255 -4.156 -5.043 1.00 0.72 C ATOM 1640 CG LEU A 99 13.456 -4.570 -3.791 1.00 0.74 C ATOM 1641 CD1 LEU A 99 13.685 -3.540 -2.675 1.00 2.44 C ATOM 1642 CD2 LEU A 99 11.951 -4.673 -4.078 1.00 1.93 C ATOM 0 H LEU A 99 15.798 -3.712 -6.793 1.00 0.49 H new ATOM 0 HA LEU A 99 15.323 -6.025 -5.155 1.00 0.52 H new ATOM 0 HB2 LEU A 99 15.061 -3.489 -4.736 1.00 0.72 H new ATOM 0 HB3 LEU A 99 13.600 -3.583 -5.699 1.00 0.72 H new ATOM 0 HG LEU A 99 13.809 -5.554 -3.484 1.00 0.74 H new ATOM 0 HD11 LEU A 99 13.121 -3.832 -1.789 1.00 2.44 H new ATOM 0 HD12 LEU A 99 14.747 -3.498 -2.431 1.00 2.44 H new ATOM 0 HD13 LEU A 99 13.351 -2.559 -3.011 1.00 2.44 H new ATOM 0 HD21 LEU A 99 11.427 -4.967 -3.169 1.00 1.93 H new ATOM 0 HD22 LEU A 99 11.578 -3.706 -4.415 1.00 1.93 H new ATOM 0 HD23 LEU A 99 11.779 -5.419 -4.854 1.00 1.93 H new ATOM 1654 N PHE A 100 13.558 -5.813 -7.864 1.00 0.45 N ATOM 1655 CA PHE A 100 12.701 -6.506 -8.825 1.00 0.55 C ATOM 1656 C PHE A 100 13.490 -7.447 -9.767 1.00 0.58 C ATOM 1657 O PHE A 100 12.911 -8.015 -10.691 1.00 0.69 O ATOM 1658 CB PHE A 100 11.905 -5.439 -9.605 1.00 0.70 C ATOM 1659 CG PHE A 100 10.677 -4.882 -8.893 1.00 0.70 C ATOM 1660 CD1 PHE A 100 10.749 -4.324 -7.599 1.00 1.52 C ATOM 1661 CD2 PHE A 100 9.428 -4.937 -9.538 1.00 1.29 C ATOM 1662 CE1 PHE A 100 9.585 -3.871 -6.951 1.00 1.49 C ATOM 1663 CE2 PHE A 100 8.272 -4.459 -8.902 1.00 1.32 C ATOM 1664 CZ PHE A 100 8.344 -3.931 -7.604 1.00 0.73 C ATOM 0 H PHE A 100 13.959 -4.963 -8.260 1.00 0.45 H new ATOM 0 HA PHE A 100 12.018 -7.163 -8.287 1.00 0.55 H new ATOM 0 HB2 PHE A 100 12.574 -4.611 -9.839 1.00 0.70 H new ATOM 0 HB3 PHE A 100 11.588 -5.870 -10.555 1.00 0.70 H new ATOM 0 HD1 PHE A 100 11.705 -4.244 -7.102 1.00 1.52 H new ATOM 0 HD2 PHE A 100 9.358 -5.351 -10.533 1.00 1.29 H new ATOM 0 HE1 PHE A 100 9.647 -3.476 -5.948 1.00 1.49 H new ATOM 0 HE2 PHE A 100 7.322 -4.498 -9.414 1.00 1.32 H new ATOM 0 HZ PHE A 100 7.452 -3.574 -7.111 1.00 0.73 H new ATOM 1674 N SER A 101 14.797 -7.646 -9.560 1.00 0.59 N ATOM 1675 CA SER A 101 15.647 -8.453 -10.458 1.00 0.73 C ATOM 1676 C SER A 101 15.337 -9.966 -10.387 1.00 0.72 C ATOM 1677 O SER A 101 15.433 -10.664 -11.400 1.00 0.95 O ATOM 1678 CB SER A 101 17.131 -8.146 -10.186 1.00 0.85 C ATOM 1679 OG SER A 101 17.996 -8.863 -11.055 1.00 1.00 O ATOM 0 H SER A 101 15.301 -7.253 -8.765 1.00 0.59 H new ATOM 0 HA SER A 101 15.415 -8.166 -11.484 1.00 0.73 H new ATOM 0 HB2 SER A 101 17.306 -7.077 -10.303 1.00 0.85 H new ATOM 0 HB3 SER A 101 17.368 -8.397 -9.152 1.00 0.85 H new ATOM 0 HG SER A 101 18.927 -8.637 -10.849 1.00 1.00 H new ATOM 1685 N GLU A 102 14.872 -10.482 -9.242 1.00 0.57 N ATOM 1686 CA GLU A 102 14.252 -11.817 -9.175 1.00 0.57 C ATOM 1687 C GLU A 102 12.793 -11.786 -9.664 1.00 0.56 C ATOM 1688 O GLU A 102 12.344 -12.707 -10.349 1.00 0.72 O ATOM 1689 CB GLU A 102 14.327 -12.387 -7.749 1.00 0.63 C ATOM 1690 CG GLU A 102 15.756 -12.802 -7.380 1.00 1.85 C ATOM 1691 CD GLU A 102 15.791 -13.524 -6.024 1.00 2.05 C ATOM 1692 OE1 GLU A 102 15.602 -14.763 -5.988 1.00 2.31 O ATOM 1693 OE2 GLU A 102 16.018 -12.859 -4.986 1.00 2.94 O ATOM 0 H GLU A 102 14.912 -9.996 -8.346 1.00 0.57 H new ATOM 0 HA GLU A 102 14.816 -12.471 -9.840 1.00 0.57 H new ATOM 0 HB2 GLU A 102 13.970 -11.641 -7.039 1.00 0.63 H new ATOM 0 HB3 GLU A 102 13.665 -13.249 -7.666 1.00 0.63 H new ATOM 0 HG2 GLU A 102 16.159 -13.455 -8.154 1.00 1.85 H new ATOM 0 HG3 GLU A 102 16.396 -11.920 -7.342 1.00 1.85 H new ATOM 1700 N ALA A 103 12.057 -10.705 -9.378 1.00 0.47 N ATOM 1701 CA ALA A 103 10.662 -10.501 -9.782 1.00 0.46 C ATOM 1702 C ALA A 103 10.513 -9.995 -11.236 1.00 0.46 C ATOM 1703 O ALA A 103 9.613 -9.215 -11.537 1.00 0.52 O ATOM 1704 CB ALA A 103 9.981 -9.596 -8.741 1.00 0.46 C ATOM 0 H ALA A 103 12.430 -9.922 -8.841 1.00 0.47 H new ATOM 0 HA ALA A 103 10.151 -11.464 -9.797 1.00 0.46 H new ATOM 0 HB1 ALA A 103 8.941 -9.433 -9.025 1.00 0.46 H new ATOM 0 HB2 ALA A 103 10.019 -10.075 -7.762 1.00 0.46 H new ATOM 0 HB3 ALA A 103 10.500 -8.638 -8.697 1.00 0.46 H new ATOM 1710 N GLN A 104 11.382 -10.424 -12.157 1.00 0.47 N ATOM 1711 CA GLN A 104 11.400 -9.968 -13.554 1.00 0.47 C ATOM 1712 C GLN A 104 10.094 -10.188 -14.349 1.00 0.45 C ATOM 1713 O GLN A 104 9.733 -9.264 -15.085 1.00 0.43 O ATOM 1714 CB GLN A 104 12.603 -10.573 -14.300 1.00 0.52 C ATOM 1715 CG GLN A 104 13.832 -9.654 -14.216 1.00 0.79 C ATOM 1716 CD GLN A 104 15.051 -10.270 -14.906 1.00 0.82 C ATOM 1717 OE1 GLN A 104 15.234 -10.172 -16.114 1.00 1.02 O ATOM 1718 NE2 GLN A 104 15.920 -10.942 -14.181 1.00 1.09 N ATOM 0 H GLN A 104 12.107 -11.111 -11.950 1.00 0.47 H new ATOM 0 HA GLN A 104 11.498 -8.884 -13.492 1.00 0.47 H new ATOM 0 HB2 GLN A 104 12.845 -11.547 -13.875 1.00 0.52 H new ATOM 0 HB3 GLN A 104 12.340 -10.738 -15.345 1.00 0.52 H new ATOM 0 HG2 GLN A 104 13.600 -8.694 -14.677 1.00 0.79 H new ATOM 0 HG3 GLN A 104 14.067 -9.457 -13.170 1.00 0.79 H new ATOM 0 HE21 GLN A 104 15.782 -11.033 -13.174 1.00 1.09 H new ATOM 0 HE22 GLN A 104 16.731 -11.372 -14.626 1.00 1.09 H new ATOM 1727 N PRO A 105 9.349 -11.313 -14.236 1.00 0.48 N ATOM 1728 CA PRO A 105 8.086 -11.464 -14.962 1.00 0.48 C ATOM 1729 C PRO A 105 6.963 -10.614 -14.361 1.00 0.43 C ATOM 1730 O PRO A 105 6.013 -10.285 -15.069 1.00 0.43 O ATOM 1731 CB PRO A 105 7.775 -12.957 -14.921 1.00 0.58 C ATOM 1732 CG PRO A 105 8.371 -13.395 -13.585 1.00 0.67 C ATOM 1733 CD PRO A 105 9.626 -12.529 -13.474 1.00 0.55 C ATOM 0 HA PRO A 105 8.170 -11.105 -15.988 1.00 0.48 H new ATOM 0 HB2 PRO A 105 6.703 -13.147 -14.966 1.00 0.58 H new ATOM 0 HB3 PRO A 105 8.229 -13.487 -15.759 1.00 0.58 H new ATOM 0 HG2 PRO A 105 7.683 -13.218 -12.758 1.00 0.67 H new ATOM 0 HG3 PRO A 105 8.611 -14.458 -13.578 1.00 0.67 H new ATOM 0 HD2 PRO A 105 9.847 -12.294 -12.433 1.00 0.55 H new ATOM 0 HD3 PRO A 105 10.496 -13.050 -13.874 1.00 0.55 H new ATOM 1741 N LEU A 106 7.087 -10.210 -13.091 1.00 0.45 N ATOM 1742 CA LEU A 106 6.222 -9.213 -12.465 1.00 0.42 C ATOM 1743 C LEU A 106 6.591 -7.808 -12.947 1.00 0.35 C ATOM 1744 O LEU A 106 5.711 -7.056 -13.352 1.00 0.34 O ATOM 1745 CB LEU A 106 6.291 -9.423 -10.941 1.00 0.52 C ATOM 1746 CG LEU A 106 5.745 -8.281 -10.060 1.00 0.43 C ATOM 1747 CD1 LEU A 106 4.947 -8.877 -8.898 1.00 1.51 C ATOM 1748 CD2 LEU A 106 6.871 -7.419 -9.483 1.00 1.33 C ATOM 0 H LEU A 106 7.803 -10.575 -12.463 1.00 0.45 H new ATOM 0 HA LEU A 106 5.179 -9.331 -12.758 1.00 0.42 H new ATOM 0 HB2 LEU A 106 5.742 -10.333 -10.698 1.00 0.52 H new ATOM 0 HB3 LEU A 106 7.332 -9.596 -10.668 1.00 0.52 H new ATOM 0 HG LEU A 106 5.114 -7.651 -10.687 1.00 0.43 H new ATOM 0 HD11 LEU A 106 4.559 -8.073 -8.273 1.00 1.51 H new ATOM 0 HD12 LEU A 106 4.117 -9.464 -9.290 1.00 1.51 H new ATOM 0 HD13 LEU A 106 5.596 -9.519 -8.302 1.00 1.51 H new ATOM 0 HD21 LEU A 106 6.444 -6.626 -8.869 1.00 1.33 H new ATOM 0 HD22 LEU A 106 7.527 -8.039 -8.871 1.00 1.33 H new ATOM 0 HD23 LEU A 106 7.445 -6.977 -10.298 1.00 1.33 H new ATOM 1760 N TRP A 107 7.881 -7.480 -12.990 1.00 0.37 N ATOM 1761 CA TRP A 107 8.406 -6.196 -13.449 1.00 0.37 C ATOM 1762 C TRP A 107 8.040 -5.923 -14.918 1.00 0.36 C ATOM 1763 O TRP A 107 7.531 -4.851 -15.246 1.00 0.36 O ATOM 1764 CB TRP A 107 9.928 -6.230 -13.237 1.00 0.47 C ATOM 1765 CG TRP A 107 10.736 -4.988 -13.488 1.00 0.57 C ATOM 1766 CD1 TRP A 107 12.078 -5.006 -13.646 1.00 0.74 C ATOM 1767 CD2 TRP A 107 10.345 -3.577 -13.618 1.00 0.92 C ATOM 1768 NE1 TRP A 107 12.545 -3.734 -13.892 1.00 1.03 N ATOM 1769 CE2 TRP A 107 11.519 -2.817 -13.924 1.00 1.13 C ATOM 1770 CE3 TRP A 107 9.137 -2.846 -13.523 1.00 1.29 C ATOM 1771 CZ2 TRP A 107 11.488 -1.437 -14.173 1.00 1.54 C ATOM 1772 CZ3 TRP A 107 9.093 -1.463 -13.776 1.00 1.70 C ATOM 1773 CH2 TRP A 107 10.262 -0.760 -14.115 1.00 1.79 C ATOM 0 H TRP A 107 8.615 -8.124 -12.696 1.00 0.37 H new ATOM 0 HA TRP A 107 7.962 -5.379 -12.881 1.00 0.37 H new ATOM 0 HB2 TRP A 107 10.108 -6.534 -12.206 1.00 0.47 H new ATOM 0 HB3 TRP A 107 10.330 -7.016 -13.876 1.00 0.47 H new ATOM 0 HD1 TRP A 107 12.695 -5.890 -13.588 1.00 0.74 H new ATOM 0 HE1 TRP A 107 13.528 -3.501 -14.033 1.00 1.03 H new ATOM 0 HE3 TRP A 107 8.228 -3.362 -13.250 1.00 1.29 H new ATOM 0 HZ2 TRP A 107 12.397 -0.903 -14.406 1.00 1.54 H new ATOM 0 HZ3 TRP A 107 8.152 -0.936 -13.709 1.00 1.70 H new ATOM 0 HH2 TRP A 107 10.216 0.297 -14.330 1.00 1.79 H new ATOM 1784 N GLU A 108 8.243 -6.906 -15.799 1.00 0.39 N ATOM 1785 CA GLU A 108 7.995 -6.768 -17.237 1.00 0.42 C ATOM 1786 C GLU A 108 6.497 -6.640 -17.552 1.00 0.39 C ATOM 1787 O GLU A 108 6.098 -5.809 -18.370 1.00 0.42 O ATOM 1788 CB GLU A 108 8.649 -7.945 -17.972 1.00 0.50 C ATOM 1789 CG GLU A 108 8.746 -7.714 -19.487 1.00 0.69 C ATOM 1790 CD GLU A 108 7.500 -8.160 -20.272 1.00 2.30 C ATOM 1791 OE1 GLU A 108 7.094 -9.341 -20.162 1.00 3.41 O ATOM 1792 OE2 GLU A 108 6.963 -7.340 -21.052 1.00 3.57 O ATOM 0 H GLU A 108 8.587 -7.828 -15.532 1.00 0.39 H new ATOM 0 HA GLU A 108 8.447 -5.841 -17.591 1.00 0.42 H new ATOM 0 HB2 GLU A 108 9.648 -8.111 -17.569 1.00 0.50 H new ATOM 0 HB3 GLU A 108 8.074 -8.852 -17.782 1.00 0.50 H new ATOM 0 HG2 GLU A 108 8.918 -6.654 -19.672 1.00 0.69 H new ATOM 0 HG3 GLU A 108 9.615 -8.249 -19.870 1.00 0.69 H new ATOM 1799 N ALA A 109 5.658 -7.421 -16.869 1.00 0.37 N ATOM 1800 CA ALA A 109 4.205 -7.295 -16.934 1.00 0.38 C ATOM 1801 C ALA A 109 3.708 -5.950 -16.399 1.00 0.34 C ATOM 1802 O ALA A 109 2.905 -5.279 -17.048 1.00 0.38 O ATOM 1803 CB ALA A 109 3.588 -8.470 -16.193 1.00 0.44 C ATOM 0 H ALA A 109 5.974 -8.167 -16.249 1.00 0.37 H new ATOM 0 HA ALA A 109 3.892 -7.318 -17.978 1.00 0.38 H new ATOM 0 HB1 ALA A 109 2.501 -8.394 -16.230 1.00 0.44 H new ATOM 0 HB2 ALA A 109 3.903 -9.402 -16.663 1.00 0.44 H new ATOM 0 HB3 ALA A 109 3.917 -8.458 -15.154 1.00 0.44 H new ATOM 1809 N ALA A 110 4.186 -5.535 -15.228 1.00 0.31 N ATOM 1810 CA ALA A 110 3.778 -4.290 -14.591 1.00 0.31 C ATOM 1811 C ALA A 110 4.114 -3.086 -15.478 1.00 0.34 C ATOM 1812 O ALA A 110 3.228 -2.275 -15.759 1.00 0.37 O ATOM 1813 CB ALA A 110 4.454 -4.237 -13.212 1.00 0.32 C ATOM 0 H ALA A 110 4.875 -6.061 -14.691 1.00 0.31 H new ATOM 0 HA ALA A 110 2.697 -4.250 -14.455 1.00 0.31 H new ATOM 0 HB1 ALA A 110 4.171 -3.315 -12.703 1.00 0.32 H new ATOM 0 HB2 ALA A 110 4.135 -5.093 -12.617 1.00 0.32 H new ATOM 0 HB3 ALA A 110 5.537 -4.265 -13.336 1.00 0.32 H new ATOM 1819 N ARG A 111 5.340 -3.019 -16.015 1.00 0.37 N ATOM 1820 CA ARG A 111 5.738 -1.918 -16.906 1.00 0.48 C ATOM 1821 C ARG A 111 4.905 -1.892 -18.197 1.00 0.46 C ATOM 1822 O ARG A 111 4.580 -0.806 -18.681 1.00 0.51 O ATOM 1823 CB ARG A 111 7.269 -1.863 -17.118 1.00 0.80 C ATOM 1824 CG ARG A 111 7.875 -2.919 -18.054 1.00 1.43 C ATOM 1825 CD ARG A 111 7.746 -2.584 -19.550 1.00 1.99 C ATOM 1826 NE ARG A 111 7.318 -3.748 -20.351 1.00 3.63 N ATOM 1827 CZ ARG A 111 7.037 -3.733 -21.649 1.00 4.63 C ATOM 1828 NH1 ARG A 111 7.072 -2.625 -22.361 1.00 4.84 N ATOM 1829 NH2 ARG A 111 6.706 -4.846 -22.260 1.00 6.21 N ATOM 0 H ARG A 111 6.071 -3.711 -15.850 1.00 0.37 H new ATOM 0 HA ARG A 111 5.499 -0.980 -16.405 1.00 0.48 H new ATOM 0 HB2 ARG A 111 7.523 -0.877 -17.508 1.00 0.80 H new ATOM 0 HB3 ARG A 111 7.751 -1.955 -16.145 1.00 0.80 H new ATOM 0 HG2 ARG A 111 8.930 -3.042 -17.810 1.00 1.43 H new ATOM 0 HG3 ARG A 111 7.391 -3.877 -17.865 1.00 1.43 H new ATOM 0 HD2 ARG A 111 7.028 -1.774 -19.678 1.00 1.99 H new ATOM 0 HD3 ARG A 111 8.704 -2.222 -19.923 1.00 1.99 H new ATOM 0 HE ARG A 111 7.231 -4.641 -19.866 1.00 3.63 H new ATOM 0 HH11 ARG A 111 7.321 -1.741 -21.917 1.00 4.84 H new ATOM 0 HH12 ARG A 111 6.850 -2.651 -23.356 1.00 4.84 H new ATOM 0 HH21 ARG A 111 6.665 -5.721 -21.738 1.00 6.21 H new ATOM 0 HH22 ARG A 111 6.490 -4.836 -23.257 1.00 6.21 H new ATOM 1843 N ALA A 112 4.528 -3.061 -18.734 1.00 0.43 N ATOM 1844 CA ALA A 112 3.660 -3.181 -19.912 1.00 0.46 C ATOM 1845 C ALA A 112 2.240 -2.651 -19.648 1.00 0.45 C ATOM 1846 O ALA A 112 1.671 -1.932 -20.468 1.00 0.49 O ATOM 1847 CB ALA A 112 3.608 -4.657 -20.326 1.00 0.47 C ATOM 0 H ALA A 112 4.822 -3.962 -18.356 1.00 0.43 H new ATOM 0 HA ALA A 112 4.076 -2.571 -20.713 1.00 0.46 H new ATOM 0 HB1 ALA A 112 2.967 -4.767 -21.201 1.00 0.47 H new ATOM 0 HB2 ALA A 112 4.613 -5.003 -20.567 1.00 0.47 H new ATOM 0 HB3 ALA A 112 3.207 -5.251 -19.505 1.00 0.47 H new ATOM 1853 N HIS A 113 1.682 -2.984 -18.483 1.00 0.41 N ATOM 1854 CA HIS A 113 0.367 -2.524 -18.027 1.00 0.42 C ATOM 1855 C HIS A 113 0.329 -1.035 -17.598 1.00 0.44 C ATOM 1856 O HIS A 113 -0.758 -0.482 -17.408 1.00 0.48 O ATOM 1857 CB HIS A 113 -0.123 -3.487 -16.937 1.00 0.39 C ATOM 1858 CG HIS A 113 -0.526 -4.828 -17.504 1.00 0.40 C ATOM 1859 ND1 HIS A 113 0.254 -5.959 -17.549 1.00 0.42 N ATOM 1860 CD2 HIS A 113 -1.721 -5.150 -18.089 1.00 0.42 C ATOM 1861 CE1 HIS A 113 -0.447 -6.934 -18.150 1.00 0.43 C ATOM 1862 NE2 HIS A 113 -1.663 -6.486 -18.507 1.00 0.44 N ATOM 0 H HIS A 113 2.144 -3.598 -17.812 1.00 0.41 H new ATOM 0 HA HIS A 113 -0.323 -2.548 -18.870 1.00 0.42 H new ATOM 0 HB2 HIS A 113 0.665 -3.628 -16.198 1.00 0.39 H new ATOM 0 HB3 HIS A 113 -0.972 -3.044 -16.417 1.00 0.39 H new ATOM 0 HD1 HIS A 113 1.204 -6.043 -17.187 1.00 0.42 H new ATOM 0 HD2 HIS A 113 -2.565 -4.487 -18.208 1.00 0.42 H new ATOM 0 HE1 HIS A 113 -0.085 -7.937 -18.322 1.00 0.43 H new ATOM 1870 N GLY A 114 1.493 -0.384 -17.459 1.00 0.44 N ATOM 1871 CA GLY A 114 1.646 1.055 -17.175 1.00 0.47 C ATOM 1872 C GLY A 114 2.163 1.375 -15.772 1.00 0.46 C ATOM 1873 O GLY A 114 2.332 2.547 -15.442 1.00 0.53 O ATOM 0 H GLY A 114 2.390 -0.862 -17.544 1.00 0.44 H new ATOM 0 HA2 GLY A 114 2.329 1.486 -17.907 1.00 0.47 H new ATOM 0 HA3 GLY A 114 0.682 1.544 -17.313 1.00 0.47 H new ATOM 1877 N LEU A 115 2.448 0.352 -14.963 1.00 0.44 N ATOM 1878 CA LEU A 115 2.960 0.463 -13.602 1.00 0.44 C ATOM 1879 C LEU A 115 4.494 0.609 -13.645 1.00 0.51 C ATOM 1880 O LEU A 115 5.226 -0.381 -13.568 1.00 0.97 O ATOM 1881 CB LEU A 115 2.515 -0.768 -12.779 1.00 0.45 C ATOM 1882 CG LEU A 115 1.003 -1.008 -12.549 1.00 0.49 C ATOM 1883 CD1 LEU A 115 0.243 -1.524 -13.782 1.00 0.89 C ATOM 1884 CD2 LEU A 115 0.869 -2.058 -11.438 1.00 0.94 C ATOM 0 H LEU A 115 2.321 -0.617 -15.255 1.00 0.44 H new ATOM 0 HA LEU A 115 2.554 1.349 -13.113 1.00 0.44 H new ATOM 0 HB2 LEU A 115 2.919 -1.655 -13.268 1.00 0.45 H new ATOM 0 HB3 LEU A 115 2.990 -0.699 -11.800 1.00 0.45 H new ATOM 0 HG LEU A 115 0.562 -0.044 -12.296 1.00 0.49 H new ATOM 0 HD11 LEU A 115 -0.808 -1.664 -13.529 1.00 0.89 H new ATOM 0 HD12 LEU A 115 0.328 -0.799 -14.592 1.00 0.89 H new ATOM 0 HD13 LEU A 115 0.669 -2.475 -14.100 1.00 0.89 H new ATOM 0 HD21 LEU A 115 -0.186 -2.254 -11.248 1.00 0.94 H new ATOM 0 HD22 LEU A 115 1.359 -2.981 -11.749 1.00 0.94 H new ATOM 0 HD23 LEU A 115 1.339 -1.686 -10.528 1.00 0.94 H new ATOM 1896 N ARG A 116 4.986 1.841 -13.840 1.00 0.54 N ATOM 1897 CA ARG A 116 6.394 2.105 -14.179 1.00 0.55 C ATOM 1898 C ARG A 116 7.320 2.201 -12.960 1.00 0.54 C ATOM 1899 O ARG A 116 8.361 1.553 -12.971 1.00 0.75 O ATOM 1900 CB ARG A 116 6.514 3.354 -15.073 1.00 0.63 C ATOM 1901 CG ARG A 116 5.839 3.223 -16.455 1.00 0.79 C ATOM 1902 CD ARG A 116 6.309 1.974 -17.207 1.00 1.33 C ATOM 1903 NE ARG A 116 5.872 1.944 -18.614 1.00 2.11 N ATOM 1904 CZ ARG A 116 6.534 2.414 -19.666 1.00 2.55 C ATOM 1905 NH1 ARG A 116 7.671 3.070 -19.550 1.00 3.26 N ATOM 1906 NH2 ARG A 116 6.056 2.214 -20.874 1.00 3.48 N ATOM 0 H ARG A 116 4.418 2.685 -13.767 1.00 0.54 H new ATOM 0 HA ARG A 116 6.739 1.234 -14.737 1.00 0.55 H new ATOM 0 HB2 ARG A 116 6.076 4.203 -14.549 1.00 0.63 H new ATOM 0 HB3 ARG A 116 7.570 3.580 -15.219 1.00 0.63 H new ATOM 0 HG2 ARG A 116 4.757 3.184 -16.328 1.00 0.79 H new ATOM 0 HG3 ARG A 116 6.058 4.109 -17.051 1.00 0.79 H new ATOM 0 HD2 ARG A 116 7.397 1.924 -17.170 1.00 1.33 H new ATOM 0 HD3 ARG A 116 5.932 1.088 -16.697 1.00 1.33 H new ATOM 0 HE ARG A 116 4.965 1.517 -18.800 1.00 2.11 H new ATOM 0 HH11 ARG A 116 8.074 3.233 -18.627 1.00 3.26 H new ATOM 0 HH12 ARG A 116 8.148 3.415 -20.383 1.00 3.26 H new ATOM 0 HH21 ARG A 116 5.183 1.701 -20.999 1.00 3.48 H new ATOM 0 HH22 ARG A 116 6.558 2.572 -21.687 1.00 3.48 H new ATOM 1920 N ARG A 117 6.972 2.965 -11.919 1.00 0.57 N ATOM 1921 CA ARG A 117 7.685 3.009 -10.623 1.00 0.55 C ATOM 1922 C ARG A 117 6.672 3.274 -9.503 1.00 0.77 C ATOM 1923 O ARG A 117 5.725 4.029 -9.705 1.00 1.39 O ATOM 1924 CB ARG A 117 8.782 4.101 -10.597 1.00 0.59 C ATOM 1925 CG ARG A 117 9.948 3.935 -11.592 1.00 0.63 C ATOM 1926 CD ARG A 117 10.820 2.688 -11.406 1.00 0.57 C ATOM 1927 NE ARG A 117 11.598 2.724 -10.154 1.00 1.16 N ATOM 1928 CZ ARG A 117 12.795 3.272 -9.978 1.00 1.72 C ATOM 1929 NH1 ARG A 117 13.466 3.859 -10.945 1.00 2.42 N ATOM 1930 NH2 ARG A 117 13.345 3.229 -8.792 1.00 2.41 N ATOM 0 H ARG A 117 6.166 3.589 -11.948 1.00 0.57 H new ATOM 0 HA ARG A 117 8.177 2.047 -10.477 1.00 0.55 H new ATOM 0 HB2 ARG A 117 8.308 5.064 -10.786 1.00 0.59 H new ATOM 0 HB3 ARG A 117 9.197 4.142 -9.590 1.00 0.59 H new ATOM 0 HG2 ARG A 117 9.538 3.920 -12.602 1.00 0.63 H new ATOM 0 HG3 ARG A 117 10.588 4.815 -11.521 1.00 0.63 H new ATOM 0 HD2 ARG A 117 10.186 1.801 -11.410 1.00 0.57 H new ATOM 0 HD3 ARG A 117 11.502 2.596 -12.251 1.00 0.57 H new ATOM 0 HE ARG A 117 11.173 2.282 -9.339 1.00 1.16 H new ATOM 0 HH11 ARG A 117 13.070 3.909 -11.884 1.00 2.42 H new ATOM 0 HH12 ARG A 117 14.383 4.265 -10.756 1.00 2.42 H new ATOM 0 HH21 ARG A 117 12.855 2.779 -8.019 1.00 2.41 H new ATOM 0 HH22 ARG A 117 14.264 3.645 -8.641 1.00 2.41 H new ATOM 1944 N GLY A 118 6.846 2.658 -8.332 1.00 0.43 N ATOM 1945 CA GLY A 118 5.885 2.731 -7.221 1.00 0.46 C ATOM 1946 C GLY A 118 6.514 2.810 -5.832 1.00 0.42 C ATOM 1947 O GLY A 118 7.735 2.858 -5.683 1.00 0.47 O ATOM 0 H GLY A 118 7.665 2.088 -8.123 1.00 0.43 H new ATOM 0 HA2 GLY A 118 5.249 3.604 -7.366 1.00 0.46 H new ATOM 0 HA3 GLY A 118 5.237 1.855 -7.262 1.00 0.46 H new ATOM 1951 N VAL A 119 5.645 2.880 -4.824 1.00 0.41 N ATOM 1952 CA VAL A 119 5.963 3.242 -3.429 1.00 0.44 C ATOM 1953 C VAL A 119 5.095 2.411 -2.471 1.00 0.46 C ATOM 1954 O VAL A 119 3.889 2.288 -2.682 1.00 0.56 O ATOM 1955 CB VAL A 119 5.801 4.774 -3.197 1.00 0.48 C ATOM 1956 CG1 VAL A 119 6.810 5.560 -4.058 1.00 0.65 C ATOM 1957 CG2 VAL A 119 4.394 5.309 -3.512 1.00 0.60 C ATOM 0 H VAL A 119 4.654 2.678 -4.956 1.00 0.41 H new ATOM 0 HA VAL A 119 7.008 3.009 -3.225 1.00 0.44 H new ATOM 0 HB VAL A 119 5.984 4.921 -2.132 1.00 0.48 H new ATOM 0 HG11 VAL A 119 6.683 6.628 -3.883 1.00 0.65 H new ATOM 0 HG12 VAL A 119 7.825 5.267 -3.788 1.00 0.65 H new ATOM 0 HG13 VAL A 119 6.637 5.341 -5.112 1.00 0.65 H new ATOM 0 HG21 VAL A 119 4.363 6.382 -3.325 1.00 0.60 H new ATOM 0 HG22 VAL A 119 4.157 5.116 -4.558 1.00 0.60 H new ATOM 0 HG23 VAL A 119 3.664 4.809 -2.876 1.00 0.60 H new ATOM 1967 N THR A 120 5.713 1.803 -1.449 1.00 0.41 N ATOM 1968 CA THR A 120 5.176 0.657 -0.690 1.00 0.34 C ATOM 1969 C THR A 120 5.437 0.816 0.812 1.00 0.38 C ATOM 1970 O THR A 120 6.447 1.383 1.224 1.00 0.45 O ATOM 1971 CB THR A 120 5.813 -0.621 -1.246 1.00 0.31 C ATOM 1972 OG1 THR A 120 5.224 -0.901 -2.496 1.00 0.41 O ATOM 1973 CG2 THR A 120 5.603 -1.847 -0.376 1.00 0.40 C ATOM 0 H THR A 120 6.629 2.102 -1.115 1.00 0.41 H new ATOM 0 HA THR A 120 4.094 0.604 -0.807 1.00 0.34 H new ATOM 0 HB THR A 120 6.885 -0.431 -1.300 1.00 0.31 H new ATOM 0 HG1 THR A 120 5.620 -1.716 -2.869 1.00 0.41 H new ATOM 0 HG21 THR A 120 6.084 -2.709 -0.839 1.00 0.40 H new ATOM 0 HG22 THR A 120 6.038 -1.674 0.608 1.00 0.40 H new ATOM 0 HG23 THR A 120 4.535 -2.040 -0.271 1.00 0.40 H new ATOM 1981 N GLN A 121 4.526 0.328 1.659 1.00 0.41 N ATOM 1982 CA GLN A 121 4.569 0.569 3.108 1.00 0.38 C ATOM 1983 C GLN A 121 3.921 -0.544 3.951 1.00 0.43 C ATOM 1984 O GLN A 121 3.032 -1.261 3.493 1.00 0.50 O ATOM 1985 CB GLN A 121 3.916 1.930 3.397 1.00 0.41 C ATOM 1986 CG GLN A 121 2.445 1.954 2.952 1.00 2.90 C ATOM 1987 CD GLN A 121 2.117 3.091 2.002 1.00 4.66 C ATOM 1988 OE1 GLN A 121 1.816 4.205 2.406 1.00 5.47 O ATOM 1989 NE2 GLN A 121 2.111 2.828 0.711 1.00 6.38 N ATOM 0 H GLN A 121 3.737 -0.246 1.361 1.00 0.41 H new ATOM 0 HA GLN A 121 5.617 0.571 3.408 1.00 0.38 H new ATOM 0 HB2 GLN A 121 3.978 2.146 4.464 1.00 0.41 H new ATOM 0 HB3 GLN A 121 4.467 2.716 2.880 1.00 0.41 H new ATOM 0 HG2 GLN A 121 2.205 1.007 2.469 1.00 2.90 H new ATOM 0 HG3 GLN A 121 1.809 2.033 3.833 1.00 2.90 H new ATOM 0 HE21 GLN A 121 2.363 1.897 0.379 1.00 6.38 H new ATOM 0 HE22 GLN A 121 1.854 3.555 0.044 1.00 6.38 H new ATOM 1998 N TYR A 122 4.357 -0.648 5.208 1.00 0.53 N ATOM 1999 CA TYR A 122 4.031 -1.716 6.163 1.00 0.54 C ATOM 2000 C TYR A 122 4.030 -1.175 7.611 1.00 0.57 C ATOM 2001 O TYR A 122 4.778 -0.246 7.928 1.00 0.66 O ATOM 2002 CB TYR A 122 5.085 -2.816 5.961 1.00 0.58 C ATOM 2003 CG TYR A 122 5.212 -3.873 7.037 1.00 0.60 C ATOM 2004 CD1 TYR A 122 4.464 -5.062 6.965 1.00 1.90 C ATOM 2005 CD2 TYR A 122 6.145 -3.689 8.078 1.00 1.53 C ATOM 2006 CE1 TYR A 122 4.663 -6.075 7.922 1.00 2.17 C ATOM 2007 CE2 TYR A 122 6.348 -4.697 9.037 1.00 1.45 C ATOM 2008 CZ TYR A 122 5.610 -5.900 8.956 1.00 1.10 C ATOM 2009 OH TYR A 122 5.818 -6.898 9.860 1.00 1.42 O ATOM 0 H TYR A 122 4.983 0.049 5.612 1.00 0.53 H new ATOM 0 HA TYR A 122 3.031 -2.114 5.992 1.00 0.54 H new ATOM 0 HB2 TYR A 122 4.868 -3.320 5.019 1.00 0.58 H new ATOM 0 HB3 TYR A 122 6.056 -2.334 5.848 1.00 0.58 H new ATOM 0 HD1 TYR A 122 3.738 -5.198 6.177 1.00 1.90 H new ATOM 0 HD2 TYR A 122 6.707 -2.769 8.139 1.00 1.53 H new ATOM 0 HE1 TYR A 122 4.090 -6.989 7.866 1.00 2.17 H new ATOM 0 HE2 TYR A 122 7.065 -4.553 9.832 1.00 1.45 H new ATOM 0 HH TYR A 122 6.501 -6.619 10.504 1.00 1.42 H new ATOM 2019 N LEU A 123 3.194 -1.738 8.496 1.00 0.57 N ATOM 2020 CA LEU A 123 3.037 -1.287 9.890 1.00 0.62 C ATOM 2021 C LEU A 123 2.526 -2.446 10.765 1.00 0.72 C ATOM 2022 O LEU A 123 1.563 -3.119 10.398 1.00 0.87 O ATOM 2023 CB LEU A 123 2.112 -0.044 9.886 1.00 0.61 C ATOM 2024 CG LEU A 123 2.151 0.937 11.076 1.00 0.91 C ATOM 2025 CD1 LEU A 123 1.575 0.360 12.372 1.00 2.42 C ATOM 2026 CD2 LEU A 123 3.559 1.502 11.313 1.00 1.94 C ATOM 0 H LEU A 123 2.598 -2.532 8.261 1.00 0.57 H new ATOM 0 HA LEU A 123 3.989 -0.990 10.330 1.00 0.62 H new ATOM 0 HB2 LEU A 123 2.336 0.527 8.985 1.00 0.61 H new ATOM 0 HB3 LEU A 123 1.086 -0.401 9.790 1.00 0.61 H new ATOM 0 HG LEU A 123 1.495 1.757 10.784 1.00 0.91 H new ATOM 0 HD11 LEU A 123 1.637 1.108 13.162 1.00 2.42 H new ATOM 0 HD12 LEU A 123 0.532 0.083 12.215 1.00 2.42 H new ATOM 0 HD13 LEU A 123 2.145 -0.523 12.662 1.00 2.42 H new ATOM 0 HD21 LEU A 123 3.538 2.188 12.160 1.00 1.94 H new ATOM 0 HD22 LEU A 123 4.248 0.685 11.525 1.00 1.94 H new ATOM 0 HD23 LEU A 123 3.892 2.036 10.423 1.00 1.94 H new ATOM 2038 N MET A 124 3.189 -2.702 11.898 1.00 0.74 N ATOM 2039 CA MET A 124 3.014 -3.914 12.721 1.00 0.79 C ATOM 2040 C MET A 124 2.393 -3.585 14.095 1.00 0.88 C ATOM 2041 O MET A 124 2.839 -2.655 14.771 1.00 0.96 O ATOM 2042 CB MET A 124 4.392 -4.595 12.864 1.00 0.89 C ATOM 2043 CG MET A 124 4.345 -6.125 12.775 1.00 1.11 C ATOM 2044 SD MET A 124 3.477 -6.985 14.109 1.00 1.40 S ATOM 2045 CE MET A 124 2.025 -7.578 13.203 1.00 1.16 C ATOM 0 H MET A 124 3.881 -2.058 12.282 1.00 0.74 H new ATOM 0 HA MET A 124 2.316 -4.595 12.234 1.00 0.79 H new ATOM 0 HB2 MET A 124 5.055 -4.216 12.086 1.00 0.89 H new ATOM 0 HB3 MET A 124 4.829 -4.310 13.821 1.00 0.89 H new ATOM 0 HG2 MET A 124 3.874 -6.397 11.830 1.00 1.11 H new ATOM 0 HG3 MET A 124 5.369 -6.496 12.739 1.00 1.11 H new ATOM 0 HE1 MET A 124 1.326 -8.041 13.899 1.00 1.16 H new ATOM 0 HE2 MET A 124 1.539 -6.739 12.705 1.00 1.16 H new ATOM 0 HE3 MET A 124 2.335 -8.311 12.459 1.00 1.16 H new ATOM 2055 N LEU A 125 1.368 -4.346 14.506 1.00 0.96 N ATOM 2056 CA LEU A 125 0.589 -4.178 15.748 1.00 1.12 C ATOM 2057 C LEU A 125 0.726 -5.402 16.687 1.00 1.19 C ATOM 2058 O LEU A 125 0.976 -6.509 16.201 1.00 1.45 O ATOM 2059 CB LEU A 125 -0.902 -3.982 15.380 1.00 1.40 C ATOM 2060 CG LEU A 125 -1.390 -2.520 15.342 1.00 1.31 C ATOM 2061 CD1 LEU A 125 -0.614 -1.661 14.333 1.00 2.18 C ATOM 2062 CD2 LEU A 125 -2.890 -2.502 15.011 1.00 2.14 C ATOM 0 H LEU A 125 1.040 -5.138 13.953 1.00 0.96 H new ATOM 0 HA LEU A 125 0.977 -3.308 16.277 1.00 1.12 H new ATOM 0 HB2 LEU A 125 -1.079 -4.431 14.403 1.00 1.40 H new ATOM 0 HB3 LEU A 125 -1.511 -4.531 16.098 1.00 1.40 H new ATOM 0 HG LEU A 125 -1.211 -2.083 16.324 1.00 1.31 H new ATOM 0 HD11 LEU A 125 -1.001 -0.642 14.350 1.00 2.18 H new ATOM 0 HD12 LEU A 125 0.443 -1.653 14.599 1.00 2.18 H new ATOM 0 HD13 LEU A 125 -0.733 -2.078 13.333 1.00 2.18 H new ATOM 0 HD21 LEU A 125 -3.244 -1.471 14.982 1.00 2.14 H new ATOM 0 HD22 LEU A 125 -3.054 -2.969 14.040 1.00 2.14 H new ATOM 0 HD23 LEU A 125 -3.438 -3.052 15.776 1.00 2.14 H new ATOM 2074 N PRO A 126 0.515 -5.244 18.013 1.00 1.23 N ATOM 2075 CA PRO A 126 0.436 -6.366 18.947 1.00 1.38 C ATOM 2076 C PRO A 126 -0.853 -7.196 18.777 1.00 1.57 C ATOM 2077 O PRO A 126 -0.843 -8.387 19.084 1.00 1.83 O ATOM 2078 CB PRO A 126 0.545 -5.744 20.343 1.00 1.64 C ATOM 2079 CG PRO A 126 -0.010 -4.333 20.160 1.00 1.66 C ATOM 2080 CD PRO A 126 0.380 -3.979 18.725 1.00 1.38 C ATOM 0 HA PRO A 126 1.237 -7.082 18.764 1.00 1.38 H new ATOM 0 HB2 PRO A 126 -0.030 -6.308 21.078 1.00 1.64 H new ATOM 0 HB3 PRO A 126 1.577 -5.725 20.693 1.00 1.64 H new ATOM 0 HG2 PRO A 126 -1.091 -4.305 20.301 1.00 1.66 H new ATOM 0 HG3 PRO A 126 0.423 -3.635 20.877 1.00 1.66 H new ATOM 0 HD2 PRO A 126 -0.379 -3.350 18.260 1.00 1.38 H new ATOM 0 HD3 PRO A 126 1.315 -3.419 18.703 1.00 1.38 H new ATOM 2088 N GLU A 127 -1.942 -6.611 18.258 1.00 1.62 N ATOM 2089 CA GLU A 127 -3.139 -7.335 17.809 1.00 2.11 C ATOM 2090 C GLU A 127 -2.838 -8.266 16.612 1.00 2.46 C ATOM 2091 O GLU A 127 -1.958 -7.987 15.795 1.00 3.96 O ATOM 2092 CB GLU A 127 -4.261 -6.354 17.409 1.00 2.47 C ATOM 2093 CG GLU A 127 -4.853 -5.526 18.563 1.00 2.29 C ATOM 2094 CD GLU A 127 -3.963 -4.379 19.079 1.00 2.47 C ATOM 2095 OE1 GLU A 127 -2.997 -3.978 18.390 1.00 3.35 O ATOM 2096 OE2 GLU A 127 -4.245 -3.865 20.188 1.00 2.90 O ATOM 0 H GLU A 127 -2.016 -5.601 18.136 1.00 1.62 H new ATOM 0 HA GLU A 127 -3.466 -7.944 18.652 1.00 2.11 H new ATOM 0 HB2 GLU A 127 -3.871 -5.670 16.655 1.00 2.47 H new ATOM 0 HB3 GLU A 127 -5.066 -6.920 16.940 1.00 2.47 H new ATOM 0 HG2 GLU A 127 -5.804 -5.106 18.235 1.00 2.29 H new ATOM 0 HG3 GLU A 127 -5.070 -6.197 19.394 1.00 2.29 H new ATOM 2103 N ARG A 128 -3.620 -9.348 16.468 1.00 2.45 N ATOM 2104 CA ARG A 128 -3.520 -10.351 15.385 1.00 2.67 C ATOM 2105 C ARG A 128 -4.018 -9.842 14.012 1.00 2.21 C ATOM 2106 O ARG A 128 -4.752 -10.532 13.304 1.00 3.28 O ATOM 2107 CB ARG A 128 -4.203 -11.669 15.834 1.00 3.76 C ATOM 2108 CG ARG A 128 -3.181 -12.686 16.360 1.00 4.68 C ATOM 2109 CD ARG A 128 -3.838 -14.038 16.676 1.00 5.68 C ATOM 2110 NE ARG A 128 -4.701 -13.972 17.872 1.00 6.04 N ATOM 2111 CZ ARG A 128 -4.307 -14.089 19.137 1.00 6.48 C ATOM 2112 NH1 ARG A 128 -3.040 -14.248 19.462 1.00 6.74 N ATOM 2113 NH2 ARG A 128 -5.195 -14.045 20.105 1.00 7.18 N ATOM 0 H ARG A 128 -4.370 -9.560 17.126 1.00 2.45 H new ATOM 0 HA ARG A 128 -2.462 -10.551 15.214 1.00 2.67 H new ATOM 0 HB2 ARG A 128 -4.935 -11.453 16.612 1.00 3.76 H new ATOM 0 HB3 ARG A 128 -4.748 -12.101 14.995 1.00 3.76 H new ATOM 0 HG2 ARG A 128 -2.394 -12.828 15.619 1.00 4.68 H new ATOM 0 HG3 ARG A 128 -2.706 -12.293 17.259 1.00 4.68 H new ATOM 0 HD2 ARG A 128 -4.430 -14.361 15.820 1.00 5.68 H new ATOM 0 HD3 ARG A 128 -3.064 -14.789 16.830 1.00 5.68 H new ATOM 0 HE ARG A 128 -5.697 -13.822 17.713 1.00 6.04 H new ATOM 0 HH11 ARG A 128 -2.327 -14.285 18.733 1.00 6.74 H new ATOM 0 HH12 ARG A 128 -2.772 -14.335 20.442 1.00 6.74 H new ATOM 0 HH21 ARG A 128 -6.183 -13.921 19.885 1.00 7.18 H new ATOM 0 HH22 ARG A 128 -4.896 -14.134 21.076 1.00 7.18 H new ATOM 2127 N ALA A 129 -3.617 -8.642 13.597 1.00 1.46 N ATOM 2128 CA ALA A 129 -3.943 -8.064 12.292 1.00 1.10 C ATOM 2129 C ALA A 129 -2.703 -7.497 11.592 1.00 1.00 C ATOM 2130 O ALA A 129 -1.759 -7.030 12.236 1.00 1.28 O ATOM 2131 CB ALA A 129 -5.003 -6.978 12.483 1.00 1.46 C ATOM 0 H ALA A 129 -3.041 -8.028 14.173 1.00 1.46 H new ATOM 0 HA ALA A 129 -4.333 -8.852 11.648 1.00 1.10 H new ATOM 0 HB1 ALA A 129 -5.254 -6.540 11.517 1.00 1.46 H new ATOM 0 HB2 ALA A 129 -5.897 -7.416 12.926 1.00 1.46 H new ATOM 0 HB3 ALA A 129 -4.614 -6.202 13.143 1.00 1.46 H new ATOM 2137 N LEU A 130 -2.744 -7.498 10.259 1.00 0.92 N ATOM 2138 CA LEU A 130 -1.740 -6.870 9.406 1.00 0.92 C ATOM 2139 C LEU A 130 -2.373 -6.367 8.107 1.00 0.85 C ATOM 2140 O LEU A 130 -3.413 -6.853 7.655 1.00 0.92 O ATOM 2141 CB LEU A 130 -0.564 -7.843 9.141 1.00 1.16 C ATOM 2142 CG LEU A 130 0.802 -7.297 9.602 1.00 1.08 C ATOM 2143 CD1 LEU A 130 1.868 -8.392 9.467 1.00 1.82 C ATOM 2144 CD2 LEU A 130 1.249 -6.058 8.812 1.00 2.59 C ATOM 0 H LEU A 130 -3.494 -7.946 9.733 1.00 0.92 H new ATOM 0 HA LEU A 130 -1.333 -6.002 9.924 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -0.761 -8.786 9.652 1.00 1.16 H new ATOM 0 HB3 LEU A 130 -0.518 -8.062 8.074 1.00 1.16 H new ATOM 0 HG LEU A 130 0.687 -6.995 10.643 1.00 1.08 H new ATOM 0 HD11 LEU A 130 2.832 -8.003 9.794 1.00 1.82 H new ATOM 0 HD12 LEU A 130 1.593 -9.246 10.086 1.00 1.82 H new ATOM 0 HD13 LEU A 130 1.937 -8.706 8.425 1.00 1.82 H new ATOM 0 HD21 LEU A 130 2.217 -5.720 9.182 1.00 2.59 H new ATOM 0 HD22 LEU A 130 1.333 -6.311 7.755 1.00 2.59 H new ATOM 0 HD23 LEU A 130 0.515 -5.262 8.937 1.00 2.59 H new ATOM 2156 N GLY A 131 -1.707 -5.388 7.506 1.00 0.82 N ATOM 2157 CA GLY A 131 -2.067 -4.767 6.243 1.00 0.72 C ATOM 2158 C GLY A 131 -0.870 -4.060 5.625 1.00 0.68 C ATOM 2159 O GLY A 131 0.081 -3.681 6.314 1.00 0.77 O ATOM 0 H GLY A 131 -0.860 -4.988 7.909 1.00 0.82 H new ATOM 0 HA2 GLY A 131 -2.442 -5.524 5.555 1.00 0.72 H new ATOM 0 HA3 GLY A 131 -2.875 -4.052 6.402 1.00 0.72 H new ATOM 2163 N PHE A 132 -0.940 -3.876 4.315 1.00 0.61 N ATOM 2164 CA PHE A 132 0.032 -3.149 3.513 1.00 0.55 C ATOM 2165 C PHE A 132 -0.728 -2.407 2.398 1.00 0.56 C ATOM 2166 O PHE A 132 -1.805 -2.836 1.968 1.00 0.64 O ATOM 2167 CB PHE A 132 1.130 -4.122 3.009 1.00 0.63 C ATOM 2168 CG PHE A 132 1.271 -4.178 1.504 1.00 2.23 C ATOM 2169 CD1 PHE A 132 2.018 -3.194 0.835 1.00 4.16 C ATOM 2170 CD2 PHE A 132 0.565 -5.141 0.763 1.00 3.26 C ATOM 2171 CE1 PHE A 132 1.986 -3.118 -0.562 1.00 6.28 C ATOM 2172 CE2 PHE A 132 0.521 -5.057 -0.640 1.00 5.38 C ATOM 2173 CZ PHE A 132 1.205 -4.020 -1.300 1.00 6.75 C ATOM 0 H PHE A 132 -1.710 -4.246 3.758 1.00 0.61 H new ATOM 0 HA PHE A 132 0.562 -2.395 4.095 1.00 0.55 H new ATOM 0 HB2 PHE A 132 2.086 -3.827 3.441 1.00 0.63 H new ATOM 0 HB3 PHE A 132 0.909 -5.123 3.379 1.00 0.63 H new ATOM 0 HD1 PHE A 132 2.618 -2.495 1.400 1.00 4.16 H new ATOM 0 HD2 PHE A 132 0.056 -5.946 1.272 1.00 3.26 H new ATOM 0 HE1 PHE A 132 2.564 -2.363 -1.074 1.00 6.28 H new ATOM 0 HE2 PHE A 132 -0.036 -5.786 -1.209 1.00 5.38 H new ATOM 0 HZ PHE A 132 1.129 -3.918 -2.373 1.00 6.75 H new ATOM 2183 N LEU A 133 -0.166 -1.295 1.920 1.00 0.56 N ATOM 2184 CA LEU A 133 -0.695 -0.571 0.764 1.00 0.55 C ATOM 2185 C LEU A 133 0.445 -0.137 -0.171 1.00 0.51 C ATOM 2186 O LEU A 133 1.587 0.068 0.251 1.00 0.54 O ATOM 2187 CB LEU A 133 -1.652 0.556 1.238 1.00 0.65 C ATOM 2188 CG LEU A 133 -0.955 1.807 1.817 1.00 0.70 C ATOM 2189 CD1 LEU A 133 -0.952 2.962 0.795 1.00 1.40 C ATOM 2190 CD2 LEU A 133 -1.511 2.281 3.172 1.00 1.52 C ATOM 0 H LEU A 133 0.669 -0.871 2.324 1.00 0.56 H new ATOM 0 HA LEU A 133 -1.313 -1.222 0.146 1.00 0.55 H new ATOM 0 HB2 LEU A 133 -2.273 0.862 0.396 1.00 0.65 H new ATOM 0 HB3 LEU A 133 -2.321 0.148 1.996 1.00 0.65 H new ATOM 0 HG LEU A 133 0.070 1.495 2.016 1.00 0.70 H new ATOM 0 HD11 LEU A 133 -0.455 3.830 1.228 1.00 1.40 H new ATOM 0 HD12 LEU A 133 -0.420 2.651 -0.104 1.00 1.40 H new ATOM 0 HD13 LEU A 133 -1.979 3.222 0.537 1.00 1.40 H new ATOM 0 HD21 LEU A 133 -0.963 3.163 3.502 1.00 1.52 H new ATOM 0 HD22 LEU A 133 -2.567 2.529 3.065 1.00 1.52 H new ATOM 0 HD23 LEU A 133 -1.398 1.487 3.910 1.00 1.52 H new ATOM 2202 N SER A 134 0.138 0.016 -1.450 1.00 0.48 N ATOM 2203 CA SER A 134 1.078 0.487 -2.470 1.00 0.47 C ATOM 2204 C SER A 134 0.398 1.494 -3.393 1.00 0.48 C ATOM 2205 O SER A 134 -0.801 1.392 -3.673 1.00 0.62 O ATOM 2206 CB SER A 134 1.604 -0.666 -3.343 1.00 0.59 C ATOM 2207 OG SER A 134 2.831 -0.316 -3.963 1.00 1.75 O ATOM 0 H SER A 134 -0.790 -0.187 -1.821 1.00 0.48 H new ATOM 0 HA SER A 134 1.911 0.946 -1.938 1.00 0.47 H new ATOM 0 HB2 SER A 134 1.743 -1.557 -2.730 1.00 0.59 H new ATOM 0 HB3 SER A 134 0.866 -0.916 -4.105 1.00 0.59 H new ATOM 0 HG SER A 134 3.576 -0.559 -3.374 1.00 1.75 H new ATOM 2213 N PHE A 135 1.189 2.432 -3.910 1.00 0.43 N ATOM 2214 CA PHE A 135 0.832 3.212 -5.083 1.00 0.42 C ATOM 2215 C PHE A 135 1.828 2.902 -6.202 1.00 0.37 C ATOM 2216 O PHE A 135 3.043 2.889 -5.997 1.00 0.36 O ATOM 2217 CB PHE A 135 0.817 4.710 -4.763 1.00 0.49 C ATOM 2218 CG PHE A 135 0.123 5.137 -3.482 1.00 0.55 C ATOM 2219 CD1 PHE A 135 -1.184 4.692 -3.206 1.00 1.88 C ATOM 2220 CD2 PHE A 135 0.776 6.003 -2.580 1.00 1.57 C ATOM 2221 CE1 PHE A 135 -1.829 5.087 -2.022 1.00 1.99 C ATOM 2222 CE2 PHE A 135 0.131 6.393 -1.393 1.00 1.61 C ATOM 2223 CZ PHE A 135 -1.167 5.932 -1.116 1.00 0.94 C ATOM 0 H PHE A 135 2.101 2.670 -3.521 1.00 0.43 H new ATOM 0 HA PHE A 135 -0.173 2.942 -5.406 1.00 0.42 H new ATOM 0 HB2 PHE A 135 1.849 5.057 -4.720 1.00 0.49 H new ATOM 0 HB3 PHE A 135 0.341 5.229 -5.595 1.00 0.49 H new ATOM 0 HD1 PHE A 135 -1.692 4.045 -3.906 1.00 1.88 H new ATOM 0 HD2 PHE A 135 1.769 6.366 -2.801 1.00 1.57 H new ATOM 0 HE1 PHE A 135 -2.830 4.742 -1.809 1.00 1.99 H new ATOM 0 HE2 PHE A 135 0.633 7.046 -0.695 1.00 1.61 H new ATOM 0 HZ PHE A 135 -1.659 6.229 -0.201 1.00 0.94 H new ATOM 2233 N SER A 136 1.298 2.700 -7.398 1.00 0.39 N ATOM 2234 CA SER A 136 2.028 2.668 -8.659 1.00 0.38 C ATOM 2235 C SER A 136 1.940 4.048 -9.323 1.00 0.48 C ATOM 2236 O SER A 136 0.893 4.685 -9.227 1.00 0.86 O ATOM 2237 CB SER A 136 1.348 1.641 -9.571 1.00 0.50 C ATOM 2238 OG SER A 136 1.870 1.720 -10.877 1.00 1.62 O ATOM 0 H SER A 136 0.298 2.546 -7.524 1.00 0.39 H new ATOM 0 HA SER A 136 3.072 2.406 -8.489 1.00 0.38 H new ATOM 0 HB2 SER A 136 1.497 0.637 -9.173 1.00 0.50 H new ATOM 0 HB3 SER A 136 0.273 1.819 -9.591 1.00 0.50 H new ATOM 0 HG SER A 136 1.165 2.008 -11.494 1.00 1.62 H new ATOM 2244 N ARG A 137 2.976 4.471 -10.058 1.00 0.47 N ATOM 2245 CA ARG A 137 2.931 5.614 -10.975 1.00 0.46 C ATOM 2246 C ARG A 137 3.391 5.190 -12.372 1.00 0.51 C ATOM 2247 O ARG A 137 4.324 4.398 -12.529 1.00 0.54 O ATOM 2248 CB ARG A 137 3.810 6.797 -10.529 1.00 0.56 C ATOM 2249 CG ARG A 137 3.502 7.400 -9.163 1.00 2.12 C ATOM 2250 CD ARG A 137 4.188 8.754 -8.912 1.00 2.25 C ATOM 2251 NE ARG A 137 3.611 9.818 -9.764 1.00 3.32 N ATOM 2252 CZ ARG A 137 3.009 10.934 -9.368 1.00 4.48 C ATOM 2253 NH1 ARG A 137 3.090 11.389 -8.136 1.00 4.79 N ATOM 2254 NH2 ARG A 137 2.285 11.622 -10.220 1.00 5.85 N ATOM 0 H ARG A 137 3.889 4.017 -10.030 1.00 0.47 H new ATOM 0 HA ARG A 137 1.893 5.946 -10.978 1.00 0.46 H new ATOM 0 HB2 ARG A 137 4.849 6.468 -10.530 1.00 0.56 H new ATOM 0 HB3 ARG A 137 3.725 7.586 -11.277 1.00 0.56 H new ATOM 0 HG2 ARG A 137 2.424 7.527 -9.067 1.00 2.12 H new ATOM 0 HG3 ARG A 137 3.811 6.698 -8.388 1.00 2.12 H new ATOM 0 HD2 ARG A 137 4.082 9.028 -7.863 1.00 2.25 H new ATOM 0 HD3 ARG A 137 5.256 8.665 -9.112 1.00 2.25 H new ATOM 0 HE ARG A 137 3.684 9.678 -10.772 1.00 3.32 H new ATOM 0 HH11 ARG A 137 3.633 10.879 -7.439 1.00 4.79 H new ATOM 0 HH12 ARG A 137 2.610 12.251 -7.878 1.00 4.79 H new ATOM 0 HH21 ARG A 137 2.186 11.299 -11.182 1.00 5.85 H new ATOM 0 HH22 ARG A 137 1.821 12.479 -9.919 1.00 5.85 H new ATOM 2268 N CYS A 138 2.779 5.784 -13.398 1.00 0.60 N ATOM 2269 CA CYS A 138 3.241 5.706 -14.790 1.00 0.68 C ATOM 2270 C CYS A 138 4.464 6.616 -15.038 1.00 0.69 C ATOM 2271 O CYS A 138 5.210 6.426 -15.997 1.00 0.74 O ATOM 2272 CB CYS A 138 2.039 6.025 -15.695 1.00 0.89 C ATOM 2273 SG CYS A 138 2.379 5.471 -17.390 1.00 2.94 S ATOM 0 H CYS A 138 1.933 6.343 -13.286 1.00 0.60 H new ATOM 0 HA CYS A 138 3.600 4.704 -15.024 1.00 0.68 H new ATOM 0 HB2 CYS A 138 1.145 5.532 -15.314 1.00 0.89 H new ATOM 0 HB3 CYS A 138 1.840 7.097 -15.686 1.00 0.89 H new ATOM 0 HG CYS A 138 1.358 5.742 -18.148 1.00 2.94 H new ATOM 2279 N SER A 139 4.734 7.558 -14.133 1.00 0.76 N ATOM 2280 CA SER A 139 6.017 8.256 -14.032 1.00 0.84 C ATOM 2281 C SER A 139 7.150 7.239 -13.762 1.00 0.76 C ATOM 2282 O SER A 139 7.210 6.632 -12.692 1.00 0.83 O ATOM 2283 CB SER A 139 5.967 9.337 -12.924 1.00 0.99 C ATOM 2284 OG SER A 139 4.638 9.763 -12.611 1.00 2.01 O ATOM 0 H SER A 139 4.054 7.863 -13.436 1.00 0.76 H new ATOM 0 HA SER A 139 6.220 8.759 -14.978 1.00 0.84 H new ATOM 0 HB2 SER A 139 6.438 8.946 -12.022 1.00 0.99 H new ATOM 0 HB3 SER A 139 6.553 10.200 -13.241 1.00 0.99 H new ATOM 0 HG SER A 139 4.671 10.634 -12.163 1.00 2.01 H new ATOM 2290 N ALA A 140 8.071 7.050 -14.717 1.00 0.72 N ATOM 2291 CA ALA A 140 9.210 6.119 -14.613 1.00 0.73 C ATOM 2292 C ALA A 140 10.399 6.692 -13.809 1.00 0.74 C ATOM 2293 O ALA A 140 11.500 6.134 -13.816 1.00 0.82 O ATOM 2294 CB ALA A 140 9.629 5.746 -16.040 1.00 0.78 C ATOM 0 H ALA A 140 8.047 7.551 -15.605 1.00 0.72 H new ATOM 0 HA ALA A 140 8.896 5.237 -14.054 1.00 0.73 H new ATOM 0 HB1 ALA A 140 10.472 5.056 -16.003 1.00 0.78 H new ATOM 0 HB2 ALA A 140 8.793 5.270 -16.552 1.00 0.78 H new ATOM 0 HB3 ALA A 140 9.920 6.646 -16.581 1.00 0.78 H new ATOM 2300 N ARG A 141 10.185 7.840 -13.160 1.00 0.76 N ATOM 2301 CA ARG A 141 11.189 8.661 -12.493 1.00 0.82 C ATOM 2302 C ARG A 141 11.798 7.949 -11.276 1.00 0.81 C ATOM 2303 O ARG A 141 11.115 7.222 -10.550 1.00 0.88 O ATOM 2304 CB ARG A 141 10.538 10.001 -12.096 1.00 0.93 C ATOM 2305 CG ARG A 141 10.619 11.093 -13.177 1.00 1.07 C ATOM 2306 CD ARG A 141 10.080 10.722 -14.567 1.00 1.38 C ATOM 2307 NE ARG A 141 10.308 11.825 -15.520 1.00 2.18 N ATOM 2308 CZ ARG A 141 9.524 12.217 -16.519 1.00 2.85 C ATOM 2309 NH1 ARG A 141 8.382 11.625 -16.800 1.00 3.49 N ATOM 2310 NH2 ARG A 141 9.890 13.235 -17.268 1.00 3.58 N ATOM 0 H ARG A 141 9.250 8.241 -13.084 1.00 0.76 H new ATOM 0 HA ARG A 141 12.016 8.843 -13.179 1.00 0.82 H new ATOM 0 HB2 ARG A 141 9.490 9.824 -11.854 1.00 0.93 H new ATOM 0 HB3 ARG A 141 11.017 10.369 -11.189 1.00 0.93 H new ATOM 0 HG2 ARG A 141 10.073 11.967 -12.821 1.00 1.07 H new ATOM 0 HG3 ARG A 141 11.662 11.391 -13.284 1.00 1.07 H new ATOM 0 HD2 ARG A 141 10.571 9.817 -14.925 1.00 1.38 H new ATOM 0 HD3 ARG A 141 9.014 10.502 -14.504 1.00 1.38 H new ATOM 0 HE ARG A 141 11.173 12.351 -15.397 1.00 2.18 H new ATOM 0 HH11 ARG A 141 8.068 10.832 -16.241 1.00 3.49 H new ATOM 0 HH12 ARG A 141 7.812 11.960 -17.577 1.00 3.49 H new ATOM 0 HH21 ARG A 141 10.769 13.717 -17.080 1.00 3.58 H new ATOM 0 HH22 ARG A 141 9.294 13.543 -18.037 1.00 3.58 H new ATOM 2324 N GLU A 142 13.093 8.176 -11.060 1.00 0.77 N ATOM 2325 CA GLU A 142 13.878 7.546 -9.995 1.00 0.73 C ATOM 2326 C GLU A 142 13.456 8.031 -8.595 1.00 0.63 C ATOM 2327 O GLU A 142 13.012 9.168 -8.422 1.00 0.63 O ATOM 2328 CB GLU A 142 15.380 7.769 -10.269 1.00 0.78 C ATOM 2329 CG GLU A 142 16.324 6.962 -9.364 1.00 1.30 C ATOM 2330 CD GLU A 142 15.937 5.480 -9.330 1.00 3.40 C ATOM 2331 OE1 GLU A 142 16.079 4.781 -10.357 1.00 4.63 O ATOM 2332 OE2 GLU A 142 15.365 5.034 -8.311 1.00 4.79 O ATOM 0 H GLU A 142 13.640 8.818 -11.633 1.00 0.77 H new ATOM 0 HA GLU A 142 13.681 6.474 -10.000 1.00 0.73 H new ATOM 0 HB2 GLU A 142 15.588 7.513 -11.308 1.00 0.78 H new ATOM 0 HB3 GLU A 142 15.604 8.829 -10.151 1.00 0.78 H new ATOM 0 HG2 GLU A 142 17.348 7.064 -9.722 1.00 1.30 H new ATOM 0 HG3 GLU A 142 16.298 7.369 -8.353 1.00 1.30 H new ATOM 2339 N ILE A 143 13.595 7.164 -7.590 1.00 0.68 N ATOM 2340 CA ILE A 143 13.205 7.431 -6.198 1.00 0.66 C ATOM 2341 C ILE A 143 14.420 7.949 -5.384 1.00 0.74 C ATOM 2342 O ILE A 143 15.456 7.272 -5.359 1.00 0.85 O ATOM 2343 CB ILE A 143 12.577 6.149 -5.595 1.00 0.67 C ATOM 2344 CG1 ILE A 143 11.152 5.877 -6.140 1.00 0.74 C ATOM 2345 CG2 ILE A 143 12.553 6.174 -4.065 1.00 0.98 C ATOM 2346 CD1 ILE A 143 10.049 6.792 -5.579 1.00 1.35 C ATOM 0 H ILE A 143 13.991 6.233 -7.721 1.00 0.68 H new ATOM 0 HA ILE A 143 12.454 8.220 -6.159 1.00 0.66 H new ATOM 0 HB ILE A 143 13.225 5.332 -5.912 1.00 0.67 H new ATOM 0 HG12 ILE A 143 11.170 5.980 -7.225 1.00 0.74 H new ATOM 0 HG13 ILE A 143 10.889 4.842 -5.922 1.00 0.74 H new ATOM 0 HG21 ILE A 143 12.103 5.253 -3.693 1.00 0.98 H new ATOM 0 HG22 ILE A 143 13.572 6.259 -3.686 1.00 0.98 H new ATOM 0 HG23 ILE A 143 11.967 7.027 -3.724 1.00 0.98 H new ATOM 0 HD11 ILE A 143 9.091 6.521 -6.022 1.00 1.35 H new ATOM 0 HD12 ILE A 143 9.994 6.674 -4.497 1.00 1.35 H new ATOM 0 HD13 ILE A 143 10.280 7.830 -5.820 1.00 1.35 H new ATOM 2358 N PRO A 144 14.308 9.115 -4.707 1.00 0.88 N ATOM 2359 CA PRO A 144 15.299 9.631 -3.759 1.00 1.01 C ATOM 2360 C PRO A 144 15.001 9.048 -2.362 1.00 0.92 C ATOM 2361 O PRO A 144 14.782 7.848 -2.224 1.00 1.73 O ATOM 2362 CB PRO A 144 15.144 11.155 -3.887 1.00 1.36 C ATOM 2363 CG PRO A 144 13.636 11.331 -4.056 1.00 1.42 C ATOM 2364 CD PRO A 144 13.240 10.100 -4.874 1.00 1.14 C ATOM 0 HA PRO A 144 16.336 9.352 -3.946 1.00 1.01 H new ATOM 0 HB2 PRO A 144 15.515 11.675 -3.003 1.00 1.36 H new ATOM 0 HB3 PRO A 144 15.695 11.547 -4.742 1.00 1.36 H new ATOM 0 HG2 PRO A 144 13.122 11.360 -3.095 1.00 1.42 H new ATOM 0 HG3 PRO A 144 13.393 12.258 -4.576 1.00 1.42 H new ATOM 0 HD2 PRO A 144 12.287 9.698 -4.529 1.00 1.14 H new ATOM 0 HD3 PRO A 144 13.115 10.359 -5.925 1.00 1.14 H new ATOM 2372 N ILE A 145 14.886 9.887 -1.328 1.00 0.87 N ATOM 2373 CA ILE A 145 14.223 9.584 -0.039 1.00 0.77 C ATOM 2374 C ILE A 145 12.689 9.534 -0.197 1.00 0.88 C ATOM 2375 O ILE A 145 11.934 9.967 0.668 1.00 1.58 O ATOM 2376 CB ILE A 145 14.749 10.600 1.011 1.00 0.79 C ATOM 2377 CG1 ILE A 145 14.586 10.223 2.510 1.00 0.81 C ATOM 2378 CG2 ILE A 145 14.312 12.048 0.706 1.00 0.99 C ATOM 2379 CD1 ILE A 145 13.229 10.416 3.216 1.00 0.99 C ATOM 0 H ILE A 145 15.264 10.834 -1.359 1.00 0.87 H new ATOM 0 HA ILE A 145 14.474 8.586 0.319 1.00 0.77 H new ATOM 0 HB ILE A 145 15.829 10.538 0.876 1.00 0.79 H new ATOM 0 HG12 ILE A 145 14.855 9.172 2.610 1.00 0.81 H new ATOM 0 HG13 ILE A 145 15.326 10.796 3.069 1.00 0.81 H new ATOM 0 HG21 ILE A 145 14.707 12.716 1.471 1.00 0.99 H new ATOM 0 HG22 ILE A 145 14.696 12.346 -0.270 1.00 0.99 H new ATOM 0 HG23 ILE A 145 13.224 12.106 0.701 1.00 0.99 H new ATOM 0 HD11 ILE A 145 13.311 10.098 4.255 1.00 0.99 H new ATOM 0 HD12 ILE A 145 12.946 11.468 3.180 1.00 0.99 H new ATOM 0 HD13 ILE A 145 12.469 9.818 2.713 1.00 0.99 H new ATOM 2391 N LEU A 146 12.211 9.104 -1.372 1.00 0.65 N ATOM 2392 CA LEU A 146 10.801 9.017 -1.798 1.00 0.66 C ATOM 2393 C LEU A 146 10.215 10.409 -2.123 1.00 0.65 C ATOM 2394 O LEU A 146 9.510 10.567 -3.117 1.00 0.85 O ATOM 2395 CB LEU A 146 10.015 8.235 -0.717 1.00 0.82 C ATOM 2396 CG LEU A 146 8.997 7.229 -1.277 1.00 0.95 C ATOM 2397 CD1 LEU A 146 8.672 6.164 -0.235 1.00 1.53 C ATOM 2398 CD2 LEU A 146 7.708 7.939 -1.636 1.00 2.16 C ATOM 0 H LEU A 146 12.843 8.784 -2.106 1.00 0.65 H new ATOM 0 HA LEU A 146 10.718 8.468 -2.736 1.00 0.66 H new ATOM 0 HB2 LEU A 146 10.724 7.702 -0.084 1.00 0.82 H new ATOM 0 HB3 LEU A 146 9.491 8.947 -0.079 1.00 0.82 H new ATOM 0 HG LEU A 146 9.435 6.766 -2.161 1.00 0.95 H new ATOM 0 HD11 LEU A 146 7.950 5.460 -0.648 1.00 1.53 H new ATOM 0 HD12 LEU A 146 9.583 5.632 0.037 1.00 1.53 H new ATOM 0 HD13 LEU A 146 8.250 6.639 0.651 1.00 1.53 H new ATOM 0 HD21 LEU A 146 6.993 7.218 -2.032 1.00 2.16 H new ATOM 0 HD22 LEU A 146 7.292 8.411 -0.746 1.00 2.16 H new ATOM 0 HD23 LEU A 146 7.910 8.701 -2.389 1.00 2.16 H new ATOM 2410 N SER A 147 10.590 11.396 -1.311 1.00 0.59 N ATOM 2411 CA SER A 147 10.324 12.845 -1.275 1.00 0.59 C ATOM 2412 C SER A 147 9.738 13.158 0.106 1.00 0.62 C ATOM 2413 O SER A 147 8.751 12.542 0.499 1.00 0.68 O ATOM 2414 CB SER A 147 9.424 13.371 -2.399 1.00 0.63 C ATOM 2415 OG SER A 147 9.288 14.783 -2.312 1.00 2.21 O ATOM 0 H SER A 147 11.194 11.157 -0.524 1.00 0.59 H new ATOM 0 HA SER A 147 11.266 13.366 -1.446 1.00 0.59 H new ATOM 0 HB2 SER A 147 9.846 13.100 -3.367 1.00 0.63 H new ATOM 0 HB3 SER A 147 8.442 12.901 -2.336 1.00 0.63 H new ATOM 0 HG SER A 147 8.712 15.101 -3.038 1.00 2.21 H new ATOM 2421 N ASP A 148 10.351 14.058 0.879 1.00 0.65 N ATOM 2422 CA ASP A 148 10.134 14.160 2.333 1.00 0.69 C ATOM 2423 C ASP A 148 8.669 14.406 2.734 1.00 0.68 C ATOM 2424 O ASP A 148 8.204 13.872 3.740 1.00 0.71 O ATOM 2425 CB ASP A 148 11.015 15.275 2.911 1.00 0.84 C ATOM 2426 CG ASP A 148 12.513 14.974 2.767 1.00 2.31 C ATOM 2427 OD1 ASP A 148 13.093 15.332 1.712 1.00 3.57 O ATOM 2428 OD2 ASP A 148 13.102 14.400 3.712 1.00 3.56 O ATOM 0 H ASP A 148 11.016 14.742 0.517 1.00 0.65 H new ATOM 0 HA ASP A 148 10.408 13.190 2.748 1.00 0.69 H new ATOM 0 HB2 ASP A 148 10.786 16.213 2.406 1.00 0.84 H new ATOM 0 HB3 ASP A 148 10.775 15.414 3.965 1.00 0.84 H new ATOM 2433 N GLU A 149 7.925 15.170 1.932 1.00 0.67 N ATOM 2434 CA GLU A 149 6.504 15.434 2.169 1.00 0.73 C ATOM 2435 C GLU A 149 5.659 14.164 1.965 1.00 0.74 C ATOM 2436 O GLU A 149 4.779 13.877 2.775 1.00 0.87 O ATOM 2437 CB GLU A 149 6.045 16.573 1.242 1.00 0.77 C ATOM 2438 CG GLU A 149 4.686 17.172 1.625 1.00 1.67 C ATOM 2439 CD GLU A 149 4.724 17.909 2.973 1.00 3.43 C ATOM 2440 OE1 GLU A 149 5.419 18.946 3.085 1.00 4.45 O ATOM 2441 OE2 GLU A 149 4.028 17.469 3.918 1.00 4.79 O ATOM 0 H GLU A 149 8.292 15.625 1.096 1.00 0.67 H new ATOM 0 HA GLU A 149 6.362 15.740 3.205 1.00 0.73 H new ATOM 0 HB2 GLU A 149 6.796 17.363 1.253 1.00 0.77 H new ATOM 0 HB3 GLU A 149 5.991 16.198 0.220 1.00 0.77 H new ATOM 0 HG2 GLU A 149 4.365 17.864 0.846 1.00 1.67 H new ATOM 0 HG3 GLU A 149 3.942 16.376 1.671 1.00 1.67 H new ATOM 2448 N LEU A 150 5.955 13.374 0.923 1.00 0.68 N ATOM 2449 CA LEU A 150 5.303 12.092 0.637 1.00 0.67 C ATOM 2450 C LEU A 150 5.793 10.978 1.572 1.00 0.58 C ATOM 2451 O LEU A 150 4.978 10.148 1.952 1.00 0.55 O ATOM 2452 CB LEU A 150 5.478 11.746 -0.857 1.00 0.76 C ATOM 2453 CG LEU A 150 5.028 10.325 -1.275 1.00 0.73 C ATOM 2454 CD1 LEU A 150 3.560 9.963 -1.007 1.00 1.94 C ATOM 2455 CD2 LEU A 150 5.311 10.111 -2.768 1.00 1.55 C ATOM 0 H LEU A 150 6.673 13.617 0.240 1.00 0.68 H new ATOM 0 HA LEU A 150 4.235 12.184 0.836 1.00 0.67 H new ATOM 0 HB2 LEU A 150 4.919 12.472 -1.447 1.00 0.76 H new ATOM 0 HB3 LEU A 150 6.530 11.865 -1.118 1.00 0.76 H new ATOM 0 HG LEU A 150 5.612 9.666 -0.633 1.00 0.73 H new ATOM 0 HD11 LEU A 150 3.369 8.944 -1.343 1.00 1.94 H new ATOM 0 HD12 LEU A 150 3.356 10.037 0.061 1.00 1.94 H new ATOM 0 HD13 LEU A 150 2.911 10.651 -1.548 1.00 1.94 H new ATOM 0 HD21 LEU A 150 4.993 9.110 -3.059 1.00 1.55 H new ATOM 0 HD22 LEU A 150 4.762 10.850 -3.352 1.00 1.55 H new ATOM 0 HD23 LEU A 150 6.379 10.221 -2.955 1.00 1.55 H new ATOM 2467 N GLN A 151 7.065 10.929 1.983 1.00 0.58 N ATOM 2468 CA GLN A 151 7.548 9.916 2.933 1.00 0.58 C ATOM 2469 C GLN A 151 6.821 10.056 4.286 1.00 0.60 C ATOM 2470 O GLN A 151 6.392 9.063 4.876 1.00 0.62 O ATOM 2471 CB GLN A 151 9.091 9.944 3.008 1.00 0.66 C ATOM 2472 CG GLN A 151 9.720 10.719 4.180 1.00 0.96 C ATOM 2473 CD GLN A 151 9.782 9.962 5.511 1.00 1.40 C ATOM 2474 OE1 GLN A 151 9.490 8.778 5.629 1.00 1.71 O ATOM 2475 NE2 GLN A 151 10.184 10.619 6.579 1.00 2.26 N ATOM 0 H GLN A 151 7.784 11.582 1.671 1.00 0.58 H new ATOM 0 HA GLN A 151 7.299 8.915 2.582 1.00 0.58 H new ATOM 0 HB2 GLN A 151 9.447 8.915 3.053 1.00 0.66 H new ATOM 0 HB3 GLN A 151 9.468 10.371 2.079 1.00 0.66 H new ATOM 0 HG2 GLN A 151 10.732 11.010 3.899 1.00 0.96 H new ATOM 0 HG3 GLN A 151 9.154 11.639 4.330 1.00 0.96 H new ATOM 0 HE21 GLN A 151 10.433 11.606 6.507 1.00 2.26 H new ATOM 0 HE22 GLN A 151 10.246 10.141 7.478 1.00 2.26 H new ATOM 2484 N LEU A 152 6.591 11.297 4.738 1.00 0.61 N ATOM 2485 CA LEU A 152 5.813 11.590 5.941 1.00 0.64 C ATOM 2486 C LEU A 152 4.323 11.312 5.715 1.00 0.57 C ATOM 2487 O LEU A 152 3.691 10.692 6.571 1.00 0.60 O ATOM 2488 CB LEU A 152 6.088 13.039 6.384 1.00 0.70 C ATOM 2489 CG LEU A 152 7.519 13.265 6.927 1.00 0.78 C ATOM 2490 CD1 LEU A 152 7.745 14.768 7.135 1.00 0.85 C ATOM 2491 CD2 LEU A 152 7.749 12.532 8.259 1.00 0.90 C ATOM 0 H LEU A 152 6.945 12.131 4.271 1.00 0.61 H new ATOM 0 HA LEU A 152 6.123 10.928 6.749 1.00 0.64 H new ATOM 0 HB2 LEU A 152 5.921 13.706 5.538 1.00 0.70 H new ATOM 0 HB3 LEU A 152 5.369 13.316 7.155 1.00 0.70 H new ATOM 0 HG LEU A 152 8.223 12.865 6.197 1.00 0.78 H new ATOM 0 HD11 LEU A 152 8.752 14.935 7.518 1.00 0.85 H new ATOM 0 HD12 LEU A 152 7.627 15.289 6.185 1.00 0.85 H new ATOM 0 HD13 LEU A 152 7.017 15.150 7.851 1.00 0.85 H new ATOM 0 HD21 LEU A 152 8.766 12.717 8.605 1.00 0.90 H new ATOM 0 HD22 LEU A 152 7.040 12.897 9.002 1.00 0.90 H new ATOM 0 HD23 LEU A 152 7.604 11.461 8.115 1.00 0.90 H new ATOM 2503 N LYS A 153 3.761 11.685 4.557 1.00 0.51 N ATOM 2504 CA LYS A 153 2.386 11.308 4.198 1.00 0.46 C ATOM 2505 C LYS A 153 2.194 9.786 4.178 1.00 0.42 C ATOM 2506 O LYS A 153 1.182 9.304 4.663 1.00 0.41 O ATOM 2507 CB LYS A 153 1.959 11.915 2.841 1.00 0.57 C ATOM 2508 CG LYS A 153 0.567 12.572 2.902 1.00 1.12 C ATOM 2509 CD LYS A 153 0.612 14.109 2.901 1.00 1.84 C ATOM 2510 CE LYS A 153 1.562 14.709 3.951 1.00 3.10 C ATOM 2511 NZ LYS A 153 1.569 16.192 3.890 1.00 3.57 N ATOM 0 H LYS A 153 4.237 12.248 3.852 1.00 0.51 H new ATOM 0 HA LYS A 153 1.743 11.721 4.976 1.00 0.46 H new ATOM 0 HB2 LYS A 153 2.695 12.657 2.531 1.00 0.57 H new ATOM 0 HB3 LYS A 153 1.955 11.133 2.082 1.00 0.57 H new ATOM 0 HG2 LYS A 153 -0.023 12.233 2.050 1.00 1.12 H new ATOM 0 HG3 LYS A 153 0.053 12.232 3.801 1.00 1.12 H new ATOM 0 HD2 LYS A 153 0.917 14.452 1.912 1.00 1.84 H new ATOM 0 HD3 LYS A 153 -0.394 14.492 3.075 1.00 1.84 H new ATOM 0 HE2 LYS A 153 1.258 14.386 4.946 1.00 3.10 H new ATOM 0 HE3 LYS A 153 2.572 14.332 3.788 1.00 3.10 H new ATOM 0 HZ1 LYS A 153 2.548 16.531 3.800 1.00 3.57 H new ATOM 0 HZ2 LYS A 153 1.016 16.508 3.068 1.00 3.57 H new ATOM 0 HZ3 LYS A 153 1.147 16.577 4.759 1.00 3.57 H new ATOM 2525 N MET A 154 3.172 9.025 3.686 1.00 0.47 N ATOM 2526 CA MET A 154 3.193 7.558 3.658 1.00 0.55 C ATOM 2527 C MET A 154 3.219 6.970 5.072 1.00 0.60 C ATOM 2528 O MET A 154 2.438 6.063 5.362 1.00 0.65 O ATOM 2529 CB MET A 154 4.383 7.115 2.784 1.00 0.67 C ATOM 2530 CG MET A 154 4.803 5.655 2.971 1.00 2.35 C ATOM 2531 SD MET A 154 5.743 4.969 1.583 1.00 2.77 S ATOM 2532 CE MET A 154 4.417 4.775 0.361 1.00 0.91 C ATOM 0 H MET A 154 4.013 9.432 3.276 1.00 0.47 H new ATOM 0 HA MET A 154 2.277 7.169 3.214 1.00 0.55 H new ATOM 0 HB2 MET A 154 4.127 7.274 1.737 1.00 0.67 H new ATOM 0 HB3 MET A 154 5.237 7.756 3.004 1.00 0.67 H new ATOM 0 HG2 MET A 154 5.404 5.575 3.877 1.00 2.35 H new ATOM 0 HG3 MET A 154 3.910 5.049 3.126 1.00 2.35 H new ATOM 0 HE1 MET A 154 4.345 3.728 0.066 1.00 0.91 H new ATOM 0 HE2 MET A 154 3.471 5.095 0.797 1.00 0.91 H new ATOM 0 HE3 MET A 154 4.638 5.385 -0.515 1.00 0.91 H new ATOM 2542 N GLN A 155 4.046 7.510 5.973 1.00 0.65 N ATOM 2543 CA GLN A 155 4.064 7.069 7.375 1.00 0.73 C ATOM 2544 C GLN A 155 2.736 7.363 8.093 1.00 0.65 C ATOM 2545 O GLN A 155 2.256 6.529 8.861 1.00 0.71 O ATOM 2546 CB GLN A 155 5.249 7.685 8.136 1.00 0.86 C ATOM 2547 CG GLN A 155 6.588 7.025 7.762 1.00 1.72 C ATOM 2548 CD GLN A 155 7.716 7.401 8.726 1.00 2.25 C ATOM 2549 OE1 GLN A 155 7.621 7.244 9.939 1.00 2.05 O ATOM 2550 NE2 GLN A 155 8.838 7.896 8.249 1.00 3.72 N ATOM 0 H GLN A 155 4.712 8.252 5.759 1.00 0.65 H new ATOM 0 HA GLN A 155 4.191 5.986 7.365 1.00 0.73 H new ATOM 0 HB2 GLN A 155 5.300 8.753 7.922 1.00 0.86 H new ATOM 0 HB3 GLN A 155 5.083 7.582 9.208 1.00 0.86 H new ATOM 0 HG2 GLN A 155 6.466 5.942 7.755 1.00 1.72 H new ATOM 0 HG3 GLN A 155 6.865 7.321 6.750 1.00 1.72 H new ATOM 0 HE21 GLN A 155 8.947 8.038 7.245 1.00 3.72 H new ATOM 0 HE22 GLN A 155 9.599 8.138 8.883 1.00 3.72 H new ATOM 2559 N LEU A 156 2.105 8.506 7.806 1.00 0.56 N ATOM 2560 CA LEU A 156 0.770 8.844 8.303 1.00 0.54 C ATOM 2561 C LEU A 156 -0.289 7.901 7.706 1.00 0.48 C ATOM 2562 O LEU A 156 -1.028 7.254 8.449 1.00 0.49 O ATOM 2563 CB LEU A 156 0.547 10.350 8.024 1.00 0.60 C ATOM 2564 CG LEU A 156 -0.757 11.012 8.517 1.00 0.79 C ATOM 2565 CD1 LEU A 156 -1.900 10.883 7.507 1.00 1.14 C ATOM 2566 CD2 LEU A 156 -1.223 10.501 9.883 1.00 1.78 C ATOM 0 H LEU A 156 2.513 9.230 7.215 1.00 0.56 H new ATOM 0 HA LEU A 156 0.676 8.691 9.378 1.00 0.54 H new ATOM 0 HB2 LEU A 156 1.381 10.895 8.466 1.00 0.60 H new ATOM 0 HB3 LEU A 156 0.605 10.498 6.946 1.00 0.60 H new ATOM 0 HG LEU A 156 -0.501 12.066 8.625 1.00 0.79 H new ATOM 0 HD11 LEU A 156 -2.793 11.366 7.904 1.00 1.14 H new ATOM 0 HD12 LEU A 156 -1.614 11.363 6.571 1.00 1.14 H new ATOM 0 HD13 LEU A 156 -2.108 9.829 7.326 1.00 1.14 H new ATOM 0 HD21 LEU A 156 -2.144 11.009 10.167 1.00 1.78 H new ATOM 0 HD22 LEU A 156 -1.403 9.427 9.828 1.00 1.78 H new ATOM 0 HD23 LEU A 156 -0.454 10.702 10.628 1.00 1.78 H new ATOM 2578 N LEU A 157 -0.326 7.751 6.378 1.00 0.44 N ATOM 2579 CA LEU A 157 -1.300 6.917 5.669 1.00 0.46 C ATOM 2580 C LEU A 157 -1.187 5.449 6.075 1.00 0.51 C ATOM 2581 O LEU A 157 -2.222 4.852 6.349 1.00 0.53 O ATOM 2582 CB LEU A 157 -1.190 7.091 4.138 1.00 0.46 C ATOM 2583 CG LEU A 157 -2.210 8.087 3.545 1.00 0.60 C ATOM 2584 CD1 LEU A 157 -2.062 9.534 4.021 1.00 1.76 C ATOM 2585 CD2 LEU A 157 -2.132 8.067 2.016 1.00 1.57 C ATOM 0 H LEU A 157 0.334 8.216 5.754 1.00 0.44 H new ATOM 0 HA LEU A 157 -2.292 7.259 5.965 1.00 0.46 H new ATOM 0 HB2 LEU A 157 -0.183 7.428 3.892 1.00 0.46 H new ATOM 0 HB3 LEU A 157 -1.326 6.120 3.661 1.00 0.46 H new ATOM 0 HG LEU A 157 -3.178 7.743 3.909 1.00 0.60 H new ATOM 0 HD11 LEU A 157 -2.824 10.153 3.547 1.00 1.76 H new ATOM 0 HD12 LEU A 157 -2.183 9.575 5.104 1.00 1.76 H new ATOM 0 HD13 LEU A 157 -1.074 9.906 3.752 1.00 1.76 H new ATOM 0 HD21 LEU A 157 -2.855 8.772 1.606 1.00 1.57 H new ATOM 0 HD22 LEU A 157 -1.128 8.350 1.699 1.00 1.57 H new ATOM 0 HD23 LEU A 157 -2.357 7.064 1.653 1.00 1.57 H new ATOM 2597 N VAL A 158 0.013 4.867 6.177 1.00 0.57 N ATOM 2598 CA VAL A 158 0.146 3.468 6.626 1.00 0.63 C ATOM 2599 C VAL A 158 -0.358 3.260 8.055 1.00 0.60 C ATOM 2600 O VAL A 158 -1.076 2.296 8.304 1.00 0.64 O ATOM 2601 CB VAL A 158 1.562 2.884 6.439 1.00 0.76 C ATOM 2602 CG1 VAL A 158 2.601 3.279 7.497 1.00 0.79 C ATOM 2603 CG2 VAL A 158 1.457 1.350 6.370 1.00 0.81 C ATOM 0 H VAL A 158 0.895 5.330 5.960 1.00 0.57 H new ATOM 0 HA VAL A 158 -0.505 2.901 5.961 1.00 0.63 H new ATOM 0 HB VAL A 158 1.936 3.320 5.513 1.00 0.76 H new ATOM 0 HG11 VAL A 158 3.556 2.810 7.262 1.00 0.79 H new ATOM 0 HG12 VAL A 158 2.721 4.362 7.503 1.00 0.79 H new ATOM 0 HG13 VAL A 158 2.265 2.946 8.479 1.00 0.79 H new ATOM 0 HG21 VAL A 158 2.451 0.923 6.238 1.00 0.81 H new ATOM 0 HG22 VAL A 158 1.020 0.973 7.295 1.00 0.81 H new ATOM 0 HG23 VAL A 158 0.825 1.066 5.528 1.00 0.81 H new ATOM 2613 N ARG A 159 -0.041 4.182 8.973 1.00 0.56 N ATOM 2614 CA ARG A 159 -0.544 4.142 10.358 1.00 0.60 C ATOM 2615 C ARG A 159 -2.070 4.147 10.362 1.00 0.53 C ATOM 2616 O ARG A 159 -2.700 3.278 10.967 1.00 0.58 O ATOM 2617 CB ARG A 159 0.036 5.315 11.192 1.00 0.64 C ATOM 2618 CG ARG A 159 -0.857 5.740 12.381 1.00 0.92 C ATOM 2619 CD ARG A 159 -0.218 6.772 13.321 1.00 1.44 C ATOM 2620 NE ARG A 159 0.639 6.130 14.336 1.00 1.78 N ATOM 2621 CZ ARG A 159 0.225 5.503 15.436 1.00 2.39 C ATOM 2622 NH1 ARG A 159 -1.052 5.367 15.730 1.00 2.92 N ATOM 2623 NH2 ARG A 159 1.107 4.994 16.267 1.00 3.26 N ATOM 0 H ARG A 159 0.570 4.976 8.780 1.00 0.56 H new ATOM 0 HA ARG A 159 -0.209 3.217 10.828 1.00 0.60 H new ATOM 0 HB2 ARG A 159 1.017 5.028 11.571 1.00 0.64 H new ATOM 0 HB3 ARG A 159 0.186 6.174 10.538 1.00 0.64 H new ATOM 0 HG2 ARG A 159 -1.788 6.151 11.991 1.00 0.92 H new ATOM 0 HG3 ARG A 159 -1.117 4.853 12.959 1.00 0.92 H new ATOM 0 HD2 ARG A 159 0.374 7.477 12.738 1.00 1.44 H new ATOM 0 HD3 ARG A 159 -1.001 7.346 13.816 1.00 1.44 H new ATOM 0 HE ARG A 159 1.646 6.170 14.180 1.00 1.78 H new ATOM 0 HH11 ARG A 159 -1.763 5.749 15.106 1.00 2.92 H new ATOM 0 HH12 ARG A 159 -1.330 4.880 16.582 1.00 2.92 H new ATOM 0 HH21 ARG A 159 2.104 5.080 16.068 1.00 3.26 H new ATOM 0 HH22 ARG A 159 0.795 4.513 17.111 1.00 3.26 H new ATOM 2637 N GLU A 160 -2.651 5.118 9.663 1.00 0.46 N ATOM 2638 CA GLU A 160 -4.082 5.369 9.714 1.00 0.46 C ATOM 2639 C GLU A 160 -4.847 4.278 8.974 1.00 0.57 C ATOM 2640 O GLU A 160 -5.843 3.785 9.480 1.00 0.68 O ATOM 2641 CB GLU A 160 -4.395 6.712 9.066 1.00 0.66 C ATOM 2642 CG GLU A 160 -3.749 7.921 9.754 1.00 1.23 C ATOM 2643 CD GLU A 160 -4.718 8.781 10.567 1.00 1.81 C ATOM 2644 OE1 GLU A 160 -5.598 8.232 11.264 1.00 2.66 O ATOM 2645 OE2 GLU A 160 -4.576 10.021 10.505 1.00 2.90 O ATOM 0 H GLU A 160 -2.141 5.751 9.047 1.00 0.46 H new ATOM 0 HA GLU A 160 -4.388 5.377 10.760 1.00 0.46 H new ATOM 0 HB2 GLU A 160 -4.067 6.684 8.027 1.00 0.66 H new ATOM 0 HB3 GLU A 160 -5.476 6.852 9.055 1.00 0.66 H new ATOM 0 HG2 GLU A 160 -2.956 7.567 10.413 1.00 1.23 H new ATOM 0 HG3 GLU A 160 -3.278 8.546 8.995 1.00 1.23 H new ATOM 2652 N SER A 161 -4.365 3.852 7.807 1.00 0.62 N ATOM 2653 CA SER A 161 -4.982 2.782 7.028 1.00 0.75 C ATOM 2654 C SER A 161 -4.977 1.467 7.812 1.00 0.78 C ATOM 2655 O SER A 161 -6.030 0.845 7.940 1.00 0.83 O ATOM 2656 CB SER A 161 -4.259 2.633 5.682 1.00 0.84 C ATOM 2657 OG SER A 161 -4.855 1.629 4.880 1.00 1.06 O ATOM 0 H SER A 161 -3.529 4.244 7.373 1.00 0.62 H new ATOM 0 HA SER A 161 -6.023 3.041 6.832 1.00 0.75 H new ATOM 0 HB2 SER A 161 -4.279 3.584 5.150 1.00 0.84 H new ATOM 0 HB3 SER A 161 -3.212 2.387 5.856 1.00 0.84 H new ATOM 0 HG SER A 161 -4.372 1.560 4.030 1.00 1.06 H new ATOM 2663 N LEU A 162 -3.843 1.077 8.415 1.00 0.79 N ATOM 2664 CA LEU A 162 -3.747 -0.144 9.222 1.00 0.90 C ATOM 2665 C LEU A 162 -4.767 -0.105 10.366 1.00 0.80 C ATOM 2666 O LEU A 162 -5.590 -1.012 10.487 1.00 0.85 O ATOM 2667 CB LEU A 162 -2.287 -0.273 9.728 1.00 1.04 C ATOM 2668 CG LEU A 162 -1.807 -1.629 10.284 1.00 1.63 C ATOM 2669 CD1 LEU A 162 -2.706 -2.250 11.357 1.00 2.80 C ATOM 2670 CD2 LEU A 162 -1.601 -2.634 9.151 1.00 2.48 C ATOM 0 H LEU A 162 -2.969 1.600 8.355 1.00 0.79 H new ATOM 0 HA LEU A 162 -3.987 -1.026 8.628 1.00 0.90 H new ATOM 0 HB2 LEU A 162 -1.628 -0.003 8.903 1.00 1.04 H new ATOM 0 HB3 LEU A 162 -2.142 0.473 10.509 1.00 1.04 H new ATOM 0 HG LEU A 162 -0.863 -1.402 10.780 1.00 1.63 H new ATOM 0 HD11 LEU A 162 -2.282 -3.200 11.682 1.00 2.80 H new ATOM 0 HD12 LEU A 162 -2.776 -1.574 12.209 1.00 2.80 H new ATOM 0 HD13 LEU A 162 -3.701 -2.419 10.945 1.00 2.80 H new ATOM 0 HD21 LEU A 162 -1.262 -3.584 9.564 1.00 2.48 H new ATOM 0 HD22 LEU A 162 -2.542 -2.783 8.622 1.00 2.48 H new ATOM 0 HD23 LEU A 162 -0.851 -2.252 8.458 1.00 2.48 H new ATOM 2682 N MET A 163 -4.766 0.968 11.166 1.00 0.70 N ATOM 2683 CA MET A 163 -5.614 1.076 12.356 1.00 0.73 C ATOM 2684 C MET A 163 -7.099 1.281 12.033 1.00 0.70 C ATOM 2685 O MET A 163 -7.951 0.722 12.718 1.00 0.78 O ATOM 2686 CB MET A 163 -5.051 2.113 13.334 1.00 0.84 C ATOM 2687 CG MET A 163 -5.355 3.556 12.963 1.00 0.99 C ATOM 2688 SD MET A 163 -4.406 4.749 13.926 1.00 1.83 S ATOM 2689 CE MET A 163 -5.443 6.168 13.541 1.00 1.03 C ATOM 0 H MET A 163 -4.177 1.785 11.005 1.00 0.70 H new ATOM 0 HA MET A 163 -5.585 0.110 12.860 1.00 0.73 H new ATOM 0 HB2 MET A 163 -5.453 1.914 14.327 1.00 0.84 H new ATOM 0 HB3 MET A 163 -3.970 1.987 13.396 1.00 0.84 H new ATOM 0 HG2 MET A 163 -5.145 3.704 11.904 1.00 0.99 H new ATOM 0 HG3 MET A 163 -6.419 3.746 13.107 1.00 0.99 H new ATOM 0 HE1 MET A 163 -4.821 7.058 13.444 1.00 1.03 H new ATOM 0 HE2 MET A 163 -5.970 5.990 12.603 1.00 1.03 H new ATOM 0 HE3 MET A 163 -6.168 6.317 14.342 1.00 1.03 H new ATOM 2699 N ALA A 164 -7.430 2.072 11.011 1.00 0.65 N ATOM 2700 CA ALA A 164 -8.805 2.316 10.583 1.00 0.64 C ATOM 2701 C ALA A 164 -9.434 1.059 9.961 1.00 0.69 C ATOM 2702 O ALA A 164 -10.577 0.741 10.281 1.00 0.70 O ATOM 2703 CB ALA A 164 -8.855 3.534 9.647 1.00 0.65 C ATOM 0 H ALA A 164 -6.738 2.568 10.450 1.00 0.65 H new ATOM 0 HA ALA A 164 -9.412 2.550 11.458 1.00 0.64 H new ATOM 0 HB1 ALA A 164 -9.884 3.709 9.332 1.00 0.65 H new ATOM 0 HB2 ALA A 164 -8.482 4.413 10.173 1.00 0.65 H new ATOM 0 HB3 ALA A 164 -8.235 3.345 8.771 1.00 0.65 H new ATOM 2709 N LEU A 165 -8.694 0.314 9.123 1.00 0.74 N ATOM 2710 CA LEU A 165 -9.151 -0.974 8.580 1.00 0.85 C ATOM 2711 C LEU A 165 -9.324 -1.986 9.732 1.00 0.90 C ATOM 2712 O LEU A 165 -10.351 -2.658 9.792 1.00 0.95 O ATOM 2713 CB LEU A 165 -8.156 -1.433 7.482 1.00 0.96 C ATOM 2714 CG LEU A 165 -8.675 -2.279 6.301 1.00 1.03 C ATOM 2715 CD1 LEU A 165 -9.570 -3.450 6.724 1.00 1.75 C ATOM 2716 CD2 LEU A 165 -9.381 -1.403 5.249 1.00 1.63 C ATOM 0 H LEU A 165 -7.765 0.588 8.804 1.00 0.74 H new ATOM 0 HA LEU A 165 -10.128 -0.886 8.105 1.00 0.85 H new ATOM 0 HB2 LEU A 165 -7.692 -0.539 7.066 1.00 0.96 H new ATOM 0 HB3 LEU A 165 -7.367 -2.003 7.972 1.00 0.96 H new ATOM 0 HG LEU A 165 -7.788 -2.723 5.850 1.00 1.03 H new ATOM 0 HD11 LEU A 165 -9.895 -3.997 5.839 1.00 1.75 H new ATOM 0 HD12 LEU A 165 -9.010 -4.118 7.378 1.00 1.75 H new ATOM 0 HD13 LEU A 165 -10.442 -3.068 7.255 1.00 1.75 H new ATOM 0 HD21 LEU A 165 -9.734 -2.031 4.431 1.00 1.63 H new ATOM 0 HD22 LEU A 165 -10.229 -0.895 5.708 1.00 1.63 H new ATOM 0 HD23 LEU A 165 -8.680 -0.663 4.862 1.00 1.63 H new ATOM 2728 N MET A 166 -8.398 -2.018 10.704 1.00 0.93 N ATOM 2729 CA MET A 166 -8.553 -2.763 11.972 1.00 1.12 C ATOM 2730 C MET A 166 -9.866 -2.412 12.685 1.00 1.03 C ATOM 2731 O MET A 166 -10.651 -3.307 12.994 1.00 1.10 O ATOM 2732 CB MET A 166 -7.364 -2.467 12.913 1.00 1.34 C ATOM 2733 CG MET A 166 -6.362 -3.614 13.059 1.00 1.63 C ATOM 2734 SD MET A 166 -6.652 -4.686 14.495 1.00 3.01 S ATOM 2735 CE MET A 166 -8.074 -5.641 13.915 1.00 1.92 C ATOM 0 H MET A 166 -7.509 -1.523 10.634 1.00 0.93 H new ATOM 0 HA MET A 166 -8.575 -3.824 11.724 1.00 1.12 H new ATOM 0 HB2 MET A 166 -6.837 -1.587 12.544 1.00 1.34 H new ATOM 0 HB3 MET A 166 -7.753 -2.215 13.899 1.00 1.34 H new ATOM 0 HG2 MET A 166 -6.391 -4.223 12.155 1.00 1.63 H new ATOM 0 HG3 MET A 166 -5.358 -3.196 13.130 1.00 1.63 H new ATOM 0 HE1 MET A 166 -8.233 -6.494 14.575 1.00 1.92 H new ATOM 0 HE2 MET A 166 -8.962 -5.009 13.918 1.00 1.92 H new ATOM 0 HE3 MET A 166 -7.885 -5.996 12.902 1.00 1.92 H new ATOM 2745 N ARG A 167 -10.141 -1.122 12.906 1.00 0.93 N ATOM 2746 CA ARG A 167 -11.346 -0.615 13.589 1.00 1.02 C ATOM 2747 C ARG A 167 -12.665 -0.950 12.870 1.00 0.97 C ATOM 2748 O ARG A 167 -13.729 -0.865 13.487 1.00 1.17 O ATOM 2749 CB ARG A 167 -11.229 0.913 13.749 1.00 1.07 C ATOM 2750 CG ARG A 167 -10.404 1.352 14.968 1.00 1.51 C ATOM 2751 CD ARG A 167 -11.201 1.190 16.273 1.00 2.01 C ATOM 2752 NE ARG A 167 -10.543 1.861 17.408 1.00 2.96 N ATOM 2753 CZ ARG A 167 -10.583 3.159 17.697 1.00 4.69 C ATOM 2754 NH1 ARG A 167 -11.201 4.033 16.929 1.00 5.81 N ATOM 2755 NH2 ARG A 167 -9.990 3.602 18.784 1.00 5.65 N ATOM 0 H ARG A 167 -9.514 -0.375 12.607 1.00 0.93 H new ATOM 0 HA ARG A 167 -11.388 -1.118 14.555 1.00 1.02 H new ATOM 0 HB2 ARG A 167 -10.777 1.329 12.848 1.00 1.07 H new ATOM 0 HB3 ARG A 167 -12.230 1.337 13.829 1.00 1.07 H new ATOM 0 HG2 ARG A 167 -9.490 0.761 15.022 1.00 1.51 H new ATOM 0 HG3 ARG A 167 -10.104 2.393 14.850 1.00 1.51 H new ATOM 0 HD2 ARG A 167 -12.202 1.600 16.140 1.00 2.01 H new ATOM 0 HD3 ARG A 167 -11.318 0.130 16.497 1.00 2.01 H new ATOM 0 HE ARG A 167 -10.001 1.269 18.037 1.00 2.96 H new ATOM 0 HH11 ARG A 167 -11.671 3.722 16.079 1.00 5.81 H new ATOM 0 HH12 ARG A 167 -11.209 5.020 17.185 1.00 5.81 H new ATOM 0 HH21 ARG A 167 -9.503 2.951 19.400 1.00 5.65 H new ATOM 0 HH22 ARG A 167 -10.017 4.596 19.011 1.00 5.65 H new ATOM 2769 N LEU A 168 -12.611 -1.303 11.582 1.00 0.82 N ATOM 2770 CA LEU A 168 -13.777 -1.618 10.751 1.00 0.86 C ATOM 2771 C LEU A 168 -13.934 -3.126 10.472 1.00 0.93 C ATOM 2772 O LEU A 168 -15.052 -3.580 10.226 1.00 1.08 O ATOM 2773 CB LEU A 168 -13.684 -0.754 9.476 1.00 0.83 C ATOM 2774 CG LEU A 168 -14.913 0.161 9.320 1.00 0.85 C ATOM 2775 CD1 LEU A 168 -14.543 1.402 8.505 1.00 2.06 C ATOM 2776 CD2 LEU A 168 -16.058 -0.623 8.672 1.00 1.34 C ATOM 0 H LEU A 168 -11.730 -1.380 11.074 1.00 0.82 H new ATOM 0 HA LEU A 168 -14.694 -1.371 11.287 1.00 0.86 H new ATOM 0 HB2 LEU A 168 -12.780 -0.146 9.513 1.00 0.83 H new ATOM 0 HB3 LEU A 168 -13.598 -1.401 8.603 1.00 0.83 H new ATOM 0 HG LEU A 168 -15.248 0.499 10.300 1.00 0.85 H new ATOM 0 HD11 LEU A 168 -15.419 2.043 8.400 1.00 2.06 H new ATOM 0 HD12 LEU A 168 -13.751 1.950 9.016 1.00 2.06 H new ATOM 0 HD13 LEU A 168 -14.195 1.098 7.518 1.00 2.06 H new ATOM 0 HD21 LEU A 168 -16.927 0.026 8.562 1.00 1.34 H new ATOM 0 HD22 LEU A 168 -15.745 -0.979 7.691 1.00 1.34 H new ATOM 0 HD23 LEU A 168 -16.318 -1.474 9.301 1.00 1.34 H new ATOM 2788 N ASN A 169 -12.856 -3.911 10.567 1.00 0.91 N ATOM 2789 CA ASN A 169 -12.896 -5.377 10.485 1.00 1.03 C ATOM 2790 C ASN A 169 -13.051 -6.052 11.868 1.00 1.15 C ATOM 2791 O ASN A 169 -13.669 -7.112 11.963 1.00 1.22 O ATOM 2792 CB ASN A 169 -11.622 -5.864 9.776 1.00 1.13 C ATOM 2793 CG ASN A 169 -11.775 -7.292 9.256 1.00 1.67 C ATOM 2794 OD1 ASN A 169 -12.603 -7.566 8.393 1.00 2.28 O ATOM 2795 ND2 ASN A 169 -11.001 -8.243 9.741 1.00 2.25 N ATOM 0 H ASN A 169 -11.916 -3.541 10.705 1.00 0.91 H new ATOM 0 HA ASN A 169 -13.779 -5.663 9.914 1.00 1.03 H new ATOM 0 HB2 ASN A 169 -11.390 -5.197 8.945 1.00 1.13 H new ATOM 0 HB3 ASN A 169 -10.780 -5.817 10.467 1.00 1.13 H new ATOM 0 HD21 ASN A 169 -11.093 -9.199 9.399 1.00 2.25 H new ATOM 0 HD22 ASN A 169 -10.311 -8.022 10.459 1.00 2.25 H new