USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 603 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 152 HIS : no HD1:sc= -12.8! C(o=-19!,f=-28!) USER MOD Set 1.2: A 153 ASN : amide:sc= -5.95! C(o=-19!,f=-20!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 101 SER OG : rot 180:sc= -0.556 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -37:sc= 0.462 USER MOD Single : A 108 GLN : amide:sc= -0.0105 K(o=-0.011,f=-1.5) USER MOD Single : A 112 SER OG : rot -16:sc= 0.756 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.382 USER MOD Single : A 122 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.17) USER MOD Single : A 124 TYR OH : rot 15:sc=-0.00723 USER MOD Single : A 127 MET CE :methyl 178:sc= -0.149 (180deg=-0.162) USER MOD Single : A 130 THR OG1 : rot 98:sc= 0.849 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.000805) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 141 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.19) USER MOD Single : A 142 SER OG : rot 180:sc=-0.00199 USER MOD Single : A 143 SER OG : rot 180:sc= -0.003 USER MOD Single : A 147 LYS NZ :NH3+ -125:sc= 0.618 (180deg=-0.369) USER MOD Single : A 148 ASN : amide:sc= -0.0445 K(o=-0.045,f=-1.8!) USER MOD Single : A 149 SER OG : rot -85:sc= 0.653 USER MOD Single : A 155 SER OG : rot 180:sc= -0.215 USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ -163:sc= -0.16 (180deg=-0.783) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 HIS : no HD1:sc= -2.79! K(o=-2.8!,f=-1.8) USER MOD Single : A 165 ASN : amide:sc= -0.946! C(o=-0.95!,f=-6.8!) USER MOD Single : A 171 SER OG : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 180:sc= 0.108 USER MOD Single : A 175 MET CE :methyl -121:sc= -1.82 (180deg=-7.22!) USER MOD Single : A 177 ASN : amide:sc= -1.93 K(o=-1.9,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 129 N GLN A 100 -8.579 9.758 5.088 1.00 0.00 N ATOM 130 CA GLN A 100 -8.705 8.299 5.342 1.00 0.00 C ATOM 131 C GLN A 100 -7.405 7.809 5.962 1.00 0.00 C ATOM 132 O GLN A 100 -6.334 8.260 5.612 1.00 0.00 O ATOM 133 CB GLN A 100 -8.972 7.554 4.033 1.00 0.00 C ATOM 134 CG GLN A 100 -10.157 8.200 3.321 1.00 0.00 C ATOM 135 CD GLN A 100 -10.428 7.465 2.005 1.00 0.00 C ATOM 136 OE1 GLN A 100 -10.510 6.252 1.980 1.00 0.00 O ATOM 137 NE2 GLN A 100 -10.566 8.152 0.904 1.00 0.00 N ATOM 0 HA GLN A 100 -9.539 8.111 6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.088 7.586 3.396 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.182 6.504 4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.041 8.164 3.958 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.948 9.252 3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.497 9.169 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.743 7.671 0.022 1.00 0.00 H new ATOM 146 N SER A 101 -7.484 6.900 6.888 1.00 0.00 N ATOM 147 CA SER A 101 -6.239 6.405 7.533 1.00 0.00 C ATOM 148 C SER A 101 -5.357 5.731 6.485 1.00 0.00 C ATOM 149 O SER A 101 -5.803 5.378 5.413 1.00 0.00 O ATOM 150 CB SER A 101 -6.582 5.404 8.636 1.00 0.00 C ATOM 151 OG SER A 101 -6.976 4.173 8.049 1.00 0.00 O ATOM 0 H SER A 101 -8.350 6.480 7.225 1.00 0.00 H new ATOM 0 HA SER A 101 -5.705 7.247 7.973 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.719 5.251 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.385 5.795 9.261 1.00 0.00 H new ATOM 0 HG SER A 101 -7.195 3.529 8.755 1.00 0.00 H new ATOM 157 N TYR A 102 -4.104 5.565 6.788 1.00 0.00 N ATOM 158 CA TYR A 102 -3.174 4.931 5.816 1.00 0.00 C ATOM 159 C TYR A 102 -3.630 3.502 5.518 1.00 0.00 C ATOM 160 O TYR A 102 -3.593 3.051 4.387 1.00 0.00 O ATOM 161 CB TYR A 102 -1.770 4.903 6.419 1.00 0.00 C ATOM 162 CG TYR A 102 -1.163 6.283 6.337 1.00 0.00 C ATOM 163 CD1 TYR A 102 -0.863 6.837 5.087 1.00 0.00 C ATOM 164 CD2 TYR A 102 -0.904 7.010 7.507 1.00 0.00 C ATOM 165 CE1 TYR A 102 -0.303 8.117 5.005 1.00 0.00 C ATOM 166 CE2 TYR A 102 -0.344 8.290 7.425 1.00 0.00 C ATOM 167 CZ TYR A 102 -0.044 8.843 6.174 1.00 0.00 C ATOM 168 OH TYR A 102 0.507 10.105 6.095 1.00 0.00 O ATOM 0 H TYR A 102 -3.680 5.843 7.673 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.169 5.503 4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.814 4.574 7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.146 4.187 5.884 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.064 6.277 4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.136 6.583 8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.071 8.544 4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.143 8.851 8.326 1.00 0.00 H new ATOM 0 HH TYR A 102 0.621 10.469 6.998 1.00 0.00 H new ATOM 178 N ALA A 103 -4.059 2.786 6.518 1.00 0.00 N ATOM 179 CA ALA A 103 -4.511 1.388 6.287 1.00 0.00 C ATOM 180 C ALA A 103 -5.546 1.360 5.158 1.00 0.00 C ATOM 181 O ALA A 103 -5.497 0.520 4.277 1.00 0.00 O ATOM 182 CB ALA A 103 -5.149 0.845 7.569 1.00 0.00 C ATOM 0 H ALA A 103 -4.116 3.108 7.484 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.655 0.772 6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.482 -0.180 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.416 0.863 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.004 1.465 7.841 1.00 0.00 H new ATOM 188 N GLU A 104 -6.488 2.263 5.186 1.00 0.00 N ATOM 189 CA GLU A 104 -7.538 2.281 4.128 1.00 0.00 C ATOM 190 C GLU A 104 -6.906 2.554 2.761 1.00 0.00 C ATOM 191 O GLU A 104 -7.271 1.953 1.772 1.00 0.00 O ATOM 192 CB GLU A 104 -8.575 3.358 4.459 1.00 0.00 C ATOM 193 CG GLU A 104 -9.217 3.025 5.810 1.00 0.00 C ATOM 194 CD GLU A 104 -10.437 3.921 6.045 1.00 0.00 C ATOM 195 OE1 GLU A 104 -11.311 3.934 5.193 1.00 0.00 O ATOM 196 OE2 GLU A 104 -10.480 4.574 7.075 1.00 0.00 O ATOM 0 H GLU A 104 -6.576 2.990 5.896 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.030 1.309 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.101 4.339 4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.336 3.402 3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.516 1.977 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.492 3.166 6.611 1.00 0.00 H new ATOM 203 N LEU A 105 -5.948 3.435 2.690 1.00 0.00 N ATOM 204 CA LEU A 105 -5.304 3.696 1.375 1.00 0.00 C ATOM 205 C LEU A 105 -4.529 2.442 0.964 1.00 0.00 C ATOM 206 O LEU A 105 -4.558 2.019 -0.179 1.00 0.00 O ATOM 207 CB LEU A 105 -4.354 4.890 1.497 1.00 0.00 C ATOM 208 CG LEU A 105 -5.168 6.146 1.821 1.00 0.00 C ATOM 209 CD1 LEU A 105 -4.219 7.306 2.131 1.00 0.00 C ATOM 210 CD2 LEU A 105 -6.054 6.511 0.622 1.00 0.00 C ATOM 0 H LEU A 105 -5.587 3.979 3.474 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.056 3.929 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.618 4.707 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.803 5.029 0.567 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.799 5.953 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.799 8.199 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.596 7.047 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.585 7.499 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.632 7.405 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.427 6.701 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.733 5.686 0.407 1.00 0.00 H new ATOM 222 N ILE A 106 -3.847 1.832 1.902 1.00 0.00 N ATOM 223 CA ILE A 106 -3.084 0.590 1.593 1.00 0.00 C ATOM 224 C ILE A 106 -4.049 -0.482 1.082 1.00 0.00 C ATOM 225 O ILE A 106 -3.747 -1.222 0.168 1.00 0.00 O ATOM 226 CB ILE A 106 -2.392 0.092 2.871 1.00 0.00 C ATOM 227 CG1 ILE A 106 -1.328 1.109 3.300 1.00 0.00 C ATOM 228 CG2 ILE A 106 -1.728 -1.267 2.613 1.00 0.00 C ATOM 229 CD1 ILE A 106 -0.736 0.713 4.655 1.00 0.00 C ATOM 0 H ILE A 106 -3.788 2.145 2.871 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.334 0.797 0.829 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.134 -0.020 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.538 1.159 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.770 2.103 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.240 -1.612 3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.485 -1.990 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.987 -1.165 1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.018 1.442 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.527 0.687 5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.277 -0.273 4.577 1.00 0.00 H new ATOM 241 N SER A 107 -5.205 -0.575 1.683 1.00 0.00 N ATOM 242 CA SER A 107 -6.195 -1.606 1.258 1.00 0.00 C ATOM 243 C SER A 107 -6.542 -1.450 -0.226 1.00 0.00 C ATOM 244 O SER A 107 -6.669 -2.420 -0.944 1.00 0.00 O ATOM 245 CB SER A 107 -7.470 -1.457 2.094 1.00 0.00 C ATOM 246 OG SER A 107 -8.086 -0.212 1.796 1.00 0.00 O ATOM 0 H SER A 107 -5.507 0.022 2.453 1.00 0.00 H new ATOM 0 HA SER A 107 -5.757 -2.593 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.157 -2.276 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.230 -1.512 3.156 1.00 0.00 H new ATOM 0 HG SER A 107 -7.396 0.469 1.655 1.00 0.00 H new ATOM 252 N GLN A 108 -6.716 -0.243 -0.693 1.00 0.00 N ATOM 253 CA GLN A 108 -7.076 -0.042 -2.127 1.00 0.00 C ATOM 254 C GLN A 108 -5.991 -0.625 -3.037 1.00 0.00 C ATOM 255 O GLN A 108 -6.277 -1.233 -4.048 1.00 0.00 O ATOM 256 CB GLN A 108 -7.205 1.452 -2.401 1.00 0.00 C ATOM 257 CG GLN A 108 -8.411 2.010 -1.646 1.00 0.00 C ATOM 258 CD GLN A 108 -8.501 3.517 -1.886 1.00 0.00 C ATOM 259 OE1 GLN A 108 -7.514 4.155 -2.188 1.00 0.00 O ATOM 260 NE2 GLN A 108 -9.652 4.117 -1.766 1.00 0.00 N ATOM 0 H GLN A 108 -6.625 0.612 -0.144 1.00 0.00 H new ATOM 0 HA GLN A 108 -8.019 -0.549 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.297 1.969 -2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.320 1.627 -3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -9.325 1.521 -1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.315 1.805 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -10.482 3.582 -1.512 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.722 5.122 -1.926 1.00 0.00 H new ATOM 269 N ALA A 109 -4.747 -0.436 -2.693 1.00 0.00 N ATOM 270 CA ALA A 109 -3.649 -0.974 -3.549 1.00 0.00 C ATOM 271 C ALA A 109 -3.828 -2.483 -3.725 1.00 0.00 C ATOM 272 O ALA A 109 -3.800 -2.997 -4.825 1.00 0.00 O ATOM 273 CB ALA A 109 -2.301 -0.687 -2.878 1.00 0.00 C ATOM 0 H ALA A 109 -4.442 0.066 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.678 -0.495 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.495 -1.078 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.177 0.389 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.272 -1.168 -1.900 1.00 0.00 H new ATOM 279 N ILE A 110 -4.016 -3.195 -2.648 1.00 0.00 N ATOM 280 CA ILE A 110 -4.203 -4.668 -2.752 1.00 0.00 C ATOM 281 C ILE A 110 -5.493 -4.947 -3.522 1.00 0.00 C ATOM 282 O ILE A 110 -5.517 -5.719 -4.461 1.00 0.00 O ATOM 283 CB ILE A 110 -4.314 -5.264 -1.347 1.00 0.00 C ATOM 284 CG1 ILE A 110 -3.221 -4.675 -0.451 1.00 0.00 C ATOM 285 CG2 ILE A 110 -4.153 -6.784 -1.416 1.00 0.00 C ATOM 286 CD1 ILE A 110 -1.857 -4.834 -1.121 1.00 0.00 C ATOM 0 H ILE A 110 -4.048 -2.819 -1.700 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.355 -5.115 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.293 -5.023 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.422 -3.621 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.222 -5.178 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.233 -7.204 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.935 -7.204 -2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.177 -7.028 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.084 -4.413 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.654 -5.892 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.858 -4.311 -2.077 1.00 0.00 H new ATOM 298 N GLU A 111 -6.562 -4.318 -3.130 1.00 0.00 N ATOM 299 CA GLU A 111 -7.856 -4.531 -3.832 1.00 0.00 C ATOM 300 C GLU A 111 -7.717 -4.135 -5.302 1.00 0.00 C ATOM 301 O GLU A 111 -8.370 -4.687 -6.168 1.00 0.00 O ATOM 302 CB GLU A 111 -8.932 -3.670 -3.170 1.00 0.00 C ATOM 303 CG GLU A 111 -9.158 -4.152 -1.735 1.00 0.00 C ATOM 304 CD GLU A 111 -10.266 -3.320 -1.090 1.00 0.00 C ATOM 305 OE1 GLU A 111 -11.051 -2.743 -1.827 1.00 0.00 O ATOM 306 OE2 GLU A 111 -10.311 -3.271 0.126 1.00 0.00 O ATOM 0 H GLU A 111 -6.596 -3.662 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.136 -5.583 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.627 -2.624 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.861 -3.731 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.432 -5.207 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.237 -4.060 -1.159 1.00 0.00 H new ATOM 313 N SER A 112 -6.880 -3.178 -5.588 1.00 0.00 N ATOM 314 CA SER A 112 -6.703 -2.736 -6.998 1.00 0.00 C ATOM 315 C SER A 112 -5.797 -3.720 -7.741 1.00 0.00 C ATOM 316 O SER A 112 -5.806 -3.788 -8.956 1.00 0.00 O ATOM 317 CB SER A 112 -6.071 -1.346 -7.013 1.00 0.00 C ATOM 318 OG SER A 112 -4.752 -1.422 -6.483 1.00 0.00 O ATOM 0 H SER A 112 -6.309 -2.682 -4.904 1.00 0.00 H new ATOM 0 HA SER A 112 -7.674 -2.703 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.044 -0.957 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.673 -0.654 -6.423 1.00 0.00 H new ATOM 0 HG SER A 112 -4.643 -2.265 -5.996 1.00 0.00 H new ATOM 324 N ALA A 113 -5.015 -4.482 -7.028 1.00 0.00 N ATOM 325 CA ALA A 113 -4.114 -5.458 -7.700 1.00 0.00 C ATOM 326 C ALA A 113 -4.970 -6.557 -8.352 1.00 0.00 C ATOM 327 O ALA A 113 -6.107 -6.769 -7.977 1.00 0.00 O ATOM 328 CB ALA A 113 -3.160 -6.068 -6.664 1.00 0.00 C ATOM 0 H ALA A 113 -4.961 -4.471 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.523 -4.959 -8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.499 -6.783 -7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.564 -5.277 -6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.738 -6.578 -5.893 1.00 0.00 H new ATOM 334 N PRO A 114 -4.428 -7.242 -9.324 1.00 0.00 N ATOM 335 CA PRO A 114 -5.152 -8.328 -10.051 1.00 0.00 C ATOM 336 C PRO A 114 -5.351 -9.569 -9.173 1.00 0.00 C ATOM 337 O PRO A 114 -6.461 -9.954 -8.867 1.00 0.00 O ATOM 338 CB PRO A 114 -4.237 -8.642 -11.239 1.00 0.00 C ATOM 339 CG PRO A 114 -2.871 -8.243 -10.787 1.00 0.00 C ATOM 340 CD PRO A 114 -3.062 -7.061 -9.836 1.00 0.00 C ATOM 0 HA PRO A 114 -6.155 -8.025 -10.350 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -4.274 -9.700 -11.498 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.538 -8.086 -12.127 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.371 -9.070 -10.283 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.247 -7.962 -11.636 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.328 -7.073 -9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.952 -6.108 -10.354 1.00 0.00 H new ATOM 348 N GLU A 115 -4.283 -10.190 -8.761 1.00 0.00 N ATOM 349 CA GLU A 115 -4.405 -11.396 -7.897 1.00 0.00 C ATOM 350 C GLU A 115 -4.675 -10.943 -6.459 1.00 0.00 C ATOM 351 O GLU A 115 -4.780 -11.746 -5.554 1.00 0.00 O ATOM 352 CB GLU A 115 -3.093 -12.180 -7.942 1.00 0.00 C ATOM 353 CG GLU A 115 -2.786 -12.586 -9.385 1.00 0.00 C ATOM 354 CD GLU A 115 -1.443 -13.319 -9.433 1.00 0.00 C ATOM 355 OE1 GLU A 115 -0.848 -13.494 -8.382 1.00 0.00 O ATOM 356 OE2 GLU A 115 -1.034 -13.693 -10.518 1.00 0.00 O ATOM 0 H GLU A 115 -3.327 -9.914 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.220 -12.029 -8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.281 -11.572 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.166 -13.066 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.578 -13.229 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.754 -11.703 -10.024 1.00 0.00 H new ATOM 363 N LYS A 116 -4.769 -9.651 -6.254 1.00 0.00 N ATOM 364 CA LYS A 116 -5.014 -9.106 -4.885 1.00 0.00 C ATOM 365 C LYS A 116 -3.824 -9.444 -3.992 1.00 0.00 C ATOM 366 O LYS A 116 -3.974 -10.017 -2.930 1.00 0.00 O ATOM 367 CB LYS A 116 -6.290 -9.700 -4.285 1.00 0.00 C ATOM 368 CG LYS A 116 -7.494 -9.302 -5.139 1.00 0.00 C ATOM 369 CD LYS A 116 -8.782 -9.639 -4.383 1.00 0.00 C ATOM 370 CE LYS A 116 -9.964 -9.679 -5.354 1.00 0.00 C ATOM 371 NZ LYS A 116 -11.234 -9.748 -4.578 1.00 0.00 N ATOM 0 H LYS A 116 -4.685 -8.945 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.136 -8.025 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -6.209 -10.786 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.423 -9.344 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.459 -8.236 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.469 -9.830 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.679 -10.602 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.963 -8.895 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.959 -8.792 -5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -9.879 -10.543 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -12.041 -9.775 -5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.236 -10.606 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -11.313 -8.910 -3.967 1.00 0.00 H new ATOM 385 N ARG A 117 -2.641 -9.090 -4.421 1.00 0.00 N ATOM 386 CA ARG A 117 -1.421 -9.386 -3.618 1.00 0.00 C ATOM 387 C ARG A 117 -0.313 -8.434 -4.057 1.00 0.00 C ATOM 388 O ARG A 117 -0.069 -8.261 -5.235 1.00 0.00 O ATOM 389 CB ARG A 117 -0.954 -10.824 -3.890 1.00 0.00 C ATOM 390 CG ARG A 117 -2.128 -11.795 -3.758 1.00 0.00 C ATOM 391 CD ARG A 117 -1.630 -13.239 -3.879 1.00 0.00 C ATOM 392 NE ARG A 117 -2.649 -14.061 -4.605 1.00 0.00 N ATOM 393 CZ ARG A 117 -3.927 -13.945 -4.337 1.00 0.00 C ATOM 394 NH1 ARG A 117 -4.330 -13.206 -3.341 1.00 0.00 N ATOM 395 NH2 ARG A 117 -4.802 -14.603 -5.051 1.00 0.00 N ATOM 0 H ARG A 117 -2.468 -8.604 -5.301 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.645 -9.266 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.527 -10.892 -4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.166 -11.097 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.623 -11.652 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.868 -11.591 -4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.680 -13.263 -4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.449 -13.657 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.344 -14.722 -5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -3.649 -12.713 -2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -5.326 -13.121 -3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.490 -15.204 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -5.797 -14.515 -4.846 1.00 0.00 H new ATOM 409 N LEU A 118 0.360 -7.817 -3.129 1.00 0.00 N ATOM 410 CA LEU A 118 1.451 -6.881 -3.516 1.00 0.00 C ATOM 411 C LEU A 118 2.565 -6.946 -2.479 1.00 0.00 C ATOM 412 O LEU A 118 2.329 -7.131 -1.302 1.00 0.00 O ATOM 413 CB LEU A 118 0.904 -5.452 -3.598 1.00 0.00 C ATOM 414 CG LEU A 118 0.056 -5.269 -4.864 1.00 0.00 C ATOM 415 CD1 LEU A 118 -0.459 -3.829 -4.899 1.00 0.00 C ATOM 416 CD2 LEU A 118 0.903 -5.532 -6.122 1.00 0.00 C ATOM 0 H LEU A 118 0.204 -7.918 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 118 1.845 -7.168 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.301 -5.237 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.730 -4.741 -3.601 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.774 -5.975 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.064 -3.681 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.066 -3.638 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.386 -3.141 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.286 -5.398 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.738 -4.832 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.285 -6.552 -6.096 1.00 0.00 H new ATOM 428 N THR A 119 3.784 -6.795 -2.916 1.00 0.00 N ATOM 429 CA THR A 119 4.923 -6.852 -1.966 1.00 0.00 C ATOM 430 C THR A 119 5.115 -5.473 -1.340 1.00 0.00 C ATOM 431 O THR A 119 4.449 -4.520 -1.692 1.00 0.00 O ATOM 432 CB THR A 119 6.196 -7.272 -2.710 1.00 0.00 C ATOM 433 OG1 THR A 119 6.270 -6.578 -3.947 1.00 0.00 O ATOM 434 CG2 THR A 119 6.175 -8.786 -2.974 1.00 0.00 C ATOM 0 H THR A 119 4.038 -6.635 -3.891 1.00 0.00 H new ATOM 0 HA THR A 119 4.717 -7.582 -1.184 1.00 0.00 H new ATOM 0 HB THR A 119 7.065 -7.028 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 119 7.084 -6.844 -4.423 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.083 -9.076 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.122 -9.320 -2.025 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.305 -9.037 -3.581 1.00 0.00 H new ATOM 442 N LEU A 120 6.012 -5.361 -0.406 1.00 0.00 N ATOM 443 CA LEU A 120 6.233 -4.047 0.253 1.00 0.00 C ATOM 444 C LEU A 120 6.649 -3.003 -0.787 1.00 0.00 C ATOM 445 O LEU A 120 6.129 -1.905 -0.823 1.00 0.00 O ATOM 446 CB LEU A 120 7.350 -4.204 1.283 1.00 0.00 C ATOM 447 CG LEU A 120 7.551 -2.883 2.030 1.00 0.00 C ATOM 448 CD1 LEU A 120 6.353 -2.626 2.952 1.00 0.00 C ATOM 449 CD2 LEU A 120 8.839 -2.957 2.861 1.00 0.00 C ATOM 0 H LEU A 120 6.602 -6.122 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 120 5.313 -3.719 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.100 -4.997 1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.276 -4.498 0.788 1.00 0.00 H new ATOM 0 HG LEU A 120 7.631 -2.067 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.498 -1.685 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.441 -2.570 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.267 -3.440 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.983 -2.017 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.762 -3.773 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.688 -3.134 2.201 1.00 0.00 H new ATOM 461 N ALA A 121 7.593 -3.331 -1.621 1.00 0.00 N ATOM 462 CA ALA A 121 8.061 -2.358 -2.649 1.00 0.00 C ATOM 463 C ALA A 121 6.896 -1.918 -3.545 1.00 0.00 C ATOM 464 O ALA A 121 6.832 -0.783 -3.972 1.00 0.00 O ATOM 465 CB ALA A 121 9.148 -3.016 -3.504 1.00 0.00 C ATOM 0 H ALA A 121 8.064 -4.235 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 121 8.463 -1.478 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.495 -2.310 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.984 -3.308 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.740 -3.899 -3.995 1.00 0.00 H new ATOM 471 N GLN A 122 5.987 -2.805 -3.850 1.00 0.00 N ATOM 472 CA GLN A 122 4.852 -2.428 -4.738 1.00 0.00 C ATOM 473 C GLN A 122 3.978 -1.380 -4.049 1.00 0.00 C ATOM 474 O GLN A 122 3.510 -0.444 -4.666 1.00 0.00 O ATOM 475 CB GLN A 122 4.013 -3.676 -5.024 1.00 0.00 C ATOM 476 CG GLN A 122 4.804 -4.649 -5.898 1.00 0.00 C ATOM 477 CD GLN A 122 4.969 -4.064 -7.305 1.00 0.00 C ATOM 478 OE1 GLN A 122 6.075 -3.891 -7.775 1.00 0.00 O ATOM 479 NE2 GLN A 122 3.909 -3.752 -8.000 1.00 0.00 N ATOM 0 H GLN A 122 5.982 -3.771 -3.523 1.00 0.00 H new ATOM 0 HA GLN A 122 5.239 -2.014 -5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 122 3.735 -4.159 -4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 122 3.087 -3.395 -5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.782 -4.838 -5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 122 4.288 -5.608 -5.951 1.00 0.00 H new ATOM 0 HE21 GLN A 122 2.980 -3.897 -7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 122 4.010 -3.363 -8.938 1.00 0.00 H new ATOM 488 N ILE A 123 3.748 -1.531 -2.777 1.00 0.00 N ATOM 489 CA ILE A 123 2.899 -0.546 -2.057 1.00 0.00 C ATOM 490 C ILE A 123 3.545 0.839 -2.119 1.00 0.00 C ATOM 491 O ILE A 123 2.883 1.826 -2.369 1.00 0.00 O ATOM 492 CB ILE A 123 2.735 -0.989 -0.598 1.00 0.00 C ATOM 493 CG1 ILE A 123 1.836 -2.230 -0.553 1.00 0.00 C ATOM 494 CG2 ILE A 123 2.099 0.142 0.214 1.00 0.00 C ATOM 495 CD1 ILE A 123 1.780 -2.786 0.873 1.00 0.00 C ATOM 0 H ILE A 123 4.111 -2.294 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 123 1.918 -0.495 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 123 3.710 -1.227 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.832 -1.974 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.218 -2.991 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.983 -0.175 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.739 1.023 0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.121 0.384 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.139 -3.667 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.784 -3.060 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.377 -2.027 1.544 1.00 0.00 H new ATOM 507 N TYR A 124 4.826 0.931 -1.898 1.00 0.00 N ATOM 508 CA TYR A 124 5.475 2.269 -1.957 1.00 0.00 C ATOM 509 C TYR A 124 5.247 2.872 -3.345 1.00 0.00 C ATOM 510 O TYR A 124 4.832 4.008 -3.482 1.00 0.00 O ATOM 511 CB TYR A 124 6.980 2.131 -1.692 1.00 0.00 C ATOM 512 CG TYR A 124 7.241 1.653 -0.273 1.00 0.00 C ATOM 513 CD1 TYR A 124 6.341 1.942 0.769 1.00 0.00 C ATOM 514 CD2 TYR A 124 8.405 0.925 0.002 1.00 0.00 C ATOM 515 CE1 TYR A 124 6.609 1.498 2.069 1.00 0.00 C ATOM 516 CE2 TYR A 124 8.667 0.483 1.303 1.00 0.00 C ATOM 517 CZ TYR A 124 7.770 0.772 2.336 1.00 0.00 C ATOM 518 OH TYR A 124 8.031 0.343 3.618 1.00 0.00 O ATOM 0 H TYR A 124 5.445 0.149 -1.682 1.00 0.00 H new ATOM 0 HA TYR A 124 5.042 2.920 -1.197 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.415 1.428 -2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 124 7.471 3.091 -1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.443 2.507 0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.102 0.704 -0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.915 1.718 2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 124 9.564 -0.082 1.510 1.00 0.00 H new ATOM 0 HH TYR A 124 7.217 0.414 4.159 1.00 0.00 H new ATOM 528 N GLU A 125 5.510 2.117 -4.376 1.00 0.00 N ATOM 529 CA GLU A 125 5.308 2.627 -5.763 1.00 0.00 C ATOM 530 C GLU A 125 3.843 3.007 -5.983 1.00 0.00 C ATOM 531 O GLU A 125 3.531 3.990 -6.626 1.00 0.00 O ATOM 532 CB GLU A 125 5.676 1.524 -6.758 1.00 0.00 C ATOM 533 CG GLU A 125 7.142 1.129 -6.588 1.00 0.00 C ATOM 534 CD GLU A 125 7.417 -0.125 -7.417 1.00 0.00 C ATOM 535 OE1 GLU A 125 6.505 -0.571 -8.095 1.00 0.00 O ATOM 536 OE2 GLU A 125 8.531 -0.619 -7.362 1.00 0.00 O ATOM 0 H GLU A 125 5.859 1.160 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 125 5.936 3.506 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.037 0.655 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.501 1.870 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.791 1.943 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.362 0.942 -5.537 1.00 0.00 H new ATOM 543 N TRP A 126 2.941 2.211 -5.483 1.00 0.00 N ATOM 544 CA TRP A 126 1.499 2.492 -5.695 1.00 0.00 C ATOM 545 C TRP A 126 1.122 3.848 -5.109 1.00 0.00 C ATOM 546 O TRP A 126 0.559 4.686 -5.781 1.00 0.00 O ATOM 547 CB TRP A 126 0.667 1.399 -5.024 1.00 0.00 C ATOM 548 CG TRP A 126 -0.761 1.586 -5.402 1.00 0.00 C ATOM 549 CD1 TRP A 126 -1.334 1.091 -6.522 1.00 0.00 C ATOM 550 CD2 TRP A 126 -1.800 2.320 -4.696 1.00 0.00 C ATOM 551 NE1 TRP A 126 -2.661 1.474 -6.547 1.00 0.00 N ATOM 552 CE2 TRP A 126 -2.997 2.235 -5.445 1.00 0.00 C ATOM 553 CE3 TRP A 126 -1.822 3.045 -3.491 1.00 0.00 C ATOM 554 CZ2 TRP A 126 -4.173 2.848 -5.016 1.00 0.00 C ATOM 555 CZ3 TRP A 126 -3.005 3.664 -3.056 1.00 0.00 C ATOM 556 CH2 TRP A 126 -4.177 3.567 -3.817 1.00 0.00 C ATOM 0 H TRP A 126 3.143 1.375 -4.935 1.00 0.00 H new ATOM 0 HA TRP A 126 1.299 2.508 -6.766 1.00 0.00 H new ATOM 0 HB2 TRP A 126 1.015 0.414 -5.336 1.00 0.00 H new ATOM 0 HB3 TRP A 126 0.781 1.449 -3.941 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -0.837 0.495 -7.273 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.314 1.225 -7.290 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -0.924 3.126 -2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.074 2.768 -5.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -3.011 4.218 -2.129 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -5.083 4.047 -3.478 1.00 0.00 H new ATOM 567 N MET A 127 1.406 4.070 -3.861 1.00 0.00 N ATOM 568 CA MET A 127 1.035 5.376 -3.251 1.00 0.00 C ATOM 569 C MET A 127 1.680 6.529 -4.027 1.00 0.00 C ATOM 570 O MET A 127 1.050 7.537 -4.275 1.00 0.00 O ATOM 571 CB MET A 127 1.475 5.405 -1.785 1.00 0.00 C ATOM 572 CG MET A 127 0.612 4.425 -0.993 1.00 0.00 C ATOM 573 SD MET A 127 0.993 4.548 0.770 1.00 0.00 S ATOM 574 CE MET A 127 -0.525 3.758 1.359 1.00 0.00 C ATOM 0 H MET A 127 1.875 3.412 -3.239 1.00 0.00 H new ATOM 0 HA MET A 127 -0.047 5.496 -3.298 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.527 5.134 -1.701 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.372 6.412 -1.380 1.00 0.00 H new ATOM 0 HG2 MET A 127 -0.443 4.640 -1.161 1.00 0.00 H new ATOM 0 HG3 MET A 127 0.790 3.408 -1.342 1.00 0.00 H new ATOM 0 HE1 MET A 127 -0.500 3.688 2.446 1.00 0.00 H new ATOM 0 HE2 MET A 127 -1.386 4.352 1.053 1.00 0.00 H new ATOM 0 HE3 MET A 127 -0.604 2.758 0.932 1.00 0.00 H new ATOM 584 N VAL A 128 2.922 6.400 -4.411 1.00 0.00 N ATOM 585 CA VAL A 128 3.579 7.506 -5.167 1.00 0.00 C ATOM 586 C VAL A 128 2.994 7.606 -6.581 1.00 0.00 C ATOM 587 O VAL A 128 2.692 8.681 -7.066 1.00 0.00 O ATOM 588 CB VAL A 128 5.087 7.260 -5.259 1.00 0.00 C ATOM 589 CG1 VAL A 128 5.730 8.367 -6.100 1.00 0.00 C ATOM 590 CG2 VAL A 128 5.701 7.275 -3.856 1.00 0.00 C ATOM 0 H VAL A 128 3.507 5.583 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 128 3.397 8.440 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 128 5.266 6.290 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.804 8.195 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.298 8.361 -7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.546 9.334 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.774 7.099 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.522 8.244 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 128 5.244 6.492 -3.251 1.00 0.00 H new ATOM 600 N ARG A 129 2.862 6.496 -7.259 1.00 0.00 N ATOM 601 CA ARG A 129 2.327 6.526 -8.653 1.00 0.00 C ATOM 602 C ARG A 129 0.847 6.918 -8.670 1.00 0.00 C ATOM 603 O ARG A 129 0.378 7.524 -9.612 1.00 0.00 O ATOM 604 CB ARG A 129 2.474 5.140 -9.284 1.00 0.00 C ATOM 605 CG ARG A 129 1.852 5.151 -10.685 1.00 0.00 C ATOM 606 CD ARG A 129 2.002 3.774 -11.332 1.00 0.00 C ATOM 607 NE ARG A 129 2.009 3.907 -12.825 1.00 0.00 N ATOM 608 CZ ARG A 129 1.144 4.670 -13.443 1.00 0.00 C ATOM 609 NH1 ARG A 129 0.181 5.254 -12.790 1.00 0.00 N ATOM 610 NH2 ARG A 129 1.229 4.821 -14.737 1.00 0.00 N ATOM 0 H ARG A 129 3.102 5.569 -6.907 1.00 0.00 H new ATOM 0 HA ARG A 129 2.894 7.267 -9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.527 4.865 -9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.984 4.391 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.798 5.420 -10.622 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.338 5.907 -11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.926 3.304 -10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.183 3.125 -11.020 1.00 0.00 H new ATOM 0 HE ARG A 129 2.701 3.393 -13.370 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.093 5.120 -11.783 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.486 5.846 -13.286 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.966 4.346 -15.259 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.559 5.414 -15.226 1.00 0.00 H new ATOM 624 N THR A 130 0.094 6.549 -7.669 1.00 0.00 N ATOM 625 CA THR A 130 -1.361 6.878 -7.683 1.00 0.00 C ATOM 626 C THR A 130 -1.577 8.319 -7.219 1.00 0.00 C ATOM 627 O THR A 130 -2.223 9.104 -7.885 1.00 0.00 O ATOM 628 CB THR A 130 -2.107 5.915 -6.750 1.00 0.00 C ATOM 629 OG1 THR A 130 -1.542 4.616 -6.866 1.00 0.00 O ATOM 630 CG2 THR A 130 -3.590 5.864 -7.134 1.00 0.00 C ATOM 0 H THR A 130 0.420 6.038 -6.848 1.00 0.00 H new ATOM 0 HA THR A 130 -1.744 6.774 -8.698 1.00 0.00 H new ATOM 0 HB THR A 130 -2.015 6.265 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.904 4.470 -6.136 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.115 5.179 -6.468 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.023 6.860 -7.045 1.00 0.00 H new ATOM 0 HG23 THR A 130 -3.688 5.517 -8.163 1.00 0.00 H new ATOM 638 N VAL A 131 -1.047 8.674 -6.084 1.00 0.00 N ATOM 639 CA VAL A 131 -1.228 10.064 -5.582 1.00 0.00 C ATOM 640 C VAL A 131 -0.017 10.916 -5.999 1.00 0.00 C ATOM 641 O VAL A 131 1.089 10.672 -5.560 1.00 0.00 O ATOM 642 CB VAL A 131 -1.348 10.015 -4.056 1.00 0.00 C ATOM 643 CG1 VAL A 131 -1.693 11.403 -3.512 1.00 0.00 C ATOM 644 CG2 VAL A 131 -2.460 9.028 -3.676 1.00 0.00 C ATOM 0 H VAL A 131 -0.496 8.062 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 131 -2.129 10.511 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.399 9.693 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -1.776 11.358 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.908 12.107 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.641 11.734 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -2.554 8.986 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.404 9.359 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -2.213 8.037 -4.058 1.00 0.00 H new ATOM 654 N PRO A 132 -0.209 11.898 -6.857 1.00 0.00 N ATOM 655 CA PRO A 132 0.912 12.766 -7.334 1.00 0.00 C ATOM 656 C PRO A 132 1.489 13.648 -6.224 1.00 0.00 C ATOM 657 O PRO A 132 2.553 14.213 -6.361 1.00 0.00 O ATOM 658 CB PRO A 132 0.284 13.626 -8.441 1.00 0.00 C ATOM 659 CG PRO A 132 -1.190 13.596 -8.197 1.00 0.00 C ATOM 660 CD PRO A 132 -1.499 12.295 -7.452 1.00 0.00 C ATOM 0 HA PRO A 132 1.754 12.167 -7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 132 0.665 14.647 -8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.525 13.230 -9.427 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.500 14.459 -7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.737 13.639 -9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.260 12.447 -6.686 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.877 11.529 -8.129 1.00 0.00 H new ATOM 668 N TYR A 133 0.796 13.777 -5.130 1.00 0.00 N ATOM 669 CA TYR A 133 1.315 14.629 -4.024 1.00 0.00 C ATOM 670 C TYR A 133 2.666 14.093 -3.526 1.00 0.00 C ATOM 671 O TYR A 133 3.485 14.837 -3.021 1.00 0.00 O ATOM 672 CB TYR A 133 0.312 14.644 -2.869 1.00 0.00 C ATOM 673 CG TYR A 133 0.759 15.643 -1.828 1.00 0.00 C ATOM 674 CD1 TYR A 133 0.600 17.017 -2.056 1.00 0.00 C ATOM 675 CD2 TYR A 133 1.339 15.198 -0.635 1.00 0.00 C ATOM 676 CE1 TYR A 133 1.020 17.942 -1.092 1.00 0.00 C ATOM 677 CE2 TYR A 133 1.760 16.121 0.327 1.00 0.00 C ATOM 678 CZ TYR A 133 1.601 17.493 0.100 1.00 0.00 C ATOM 679 OH TYR A 133 2.018 18.403 1.049 1.00 0.00 O ATOM 0 H TYR A 133 -0.104 13.332 -4.953 1.00 0.00 H new ATOM 0 HA TYR A 133 1.454 15.643 -4.399 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.680 14.906 -3.238 1.00 0.00 H new ATOM 0 HB3 TYR A 133 0.236 13.651 -2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 133 0.153 17.363 -2.976 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.462 14.140 -0.457 1.00 0.00 H new ATOM 0 HE1 TYR A 133 0.896 19.000 -1.268 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.208 15.775 1.247 1.00 0.00 H new ATOM 0 HH TYR A 133 2.397 17.925 1.816 1.00 0.00 H new ATOM 689 N PHE A 134 2.906 12.809 -3.637 1.00 0.00 N ATOM 690 CA PHE A 134 4.205 12.251 -3.139 1.00 0.00 C ATOM 691 C PHE A 134 5.279 12.240 -4.238 1.00 0.00 C ATOM 692 O PHE A 134 6.429 11.955 -3.968 1.00 0.00 O ATOM 693 CB PHE A 134 4.001 10.803 -2.670 1.00 0.00 C ATOM 694 CG PHE A 134 3.221 10.740 -1.376 1.00 0.00 C ATOM 695 CD1 PHE A 134 3.528 11.597 -0.312 1.00 0.00 C ATOM 696 CD2 PHE A 134 2.199 9.794 -1.237 1.00 0.00 C ATOM 697 CE1 PHE A 134 2.806 11.509 0.885 1.00 0.00 C ATOM 698 CE2 PHE A 134 1.482 9.702 -0.040 1.00 0.00 C ATOM 699 CZ PHE A 134 1.785 10.560 1.021 1.00 0.00 C ATOM 0 H PHE A 134 2.266 12.128 -4.046 1.00 0.00 H new ATOM 0 HA PHE A 134 4.537 12.889 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 134 3.473 10.241 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.971 10.324 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 134 4.320 12.324 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 134 1.963 9.132 -2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 134 3.037 12.174 1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 134 0.695 8.969 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 134 1.232 10.491 1.946 1.00 0.00 H new ATOM 709 N LYS A 135 4.940 12.508 -5.467 1.00 0.00 N ATOM 710 CA LYS A 135 5.989 12.456 -6.525 1.00 0.00 C ATOM 711 C LYS A 135 7.089 13.484 -6.236 1.00 0.00 C ATOM 712 O LYS A 135 8.241 13.271 -6.561 1.00 0.00 O ATOM 713 CB LYS A 135 5.362 12.684 -7.905 1.00 0.00 C ATOM 714 CG LYS A 135 5.153 14.176 -8.177 1.00 0.00 C ATOM 715 CD LYS A 135 4.084 14.334 -9.263 1.00 0.00 C ATOM 716 CE LYS A 135 3.786 15.814 -9.493 1.00 0.00 C ATOM 717 NZ LYS A 135 2.642 15.945 -10.441 1.00 0.00 N ATOM 0 H LYS A 135 4.002 12.756 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 135 6.447 11.467 -6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 135 6.005 12.258 -8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 135 4.406 12.163 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 135 4.843 14.686 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 135 6.088 14.636 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 135 4.426 13.875 -10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.173 13.813 -8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 135 3.547 16.300 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 135 4.666 16.316 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 2.565 16.932 -10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 2.800 15.329 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.762 15.665 -9.963 1.00 0.00 H new ATOM 731 N ASP A 136 6.767 14.582 -5.608 1.00 0.00 N ATOM 732 CA ASP A 136 7.830 15.579 -5.296 1.00 0.00 C ATOM 733 C ASP A 136 8.740 15.000 -4.212 1.00 0.00 C ATOM 734 O ASP A 136 9.946 15.089 -4.283 1.00 0.00 O ATOM 735 CB ASP A 136 7.201 16.877 -4.781 1.00 0.00 C ATOM 736 CG ASP A 136 6.469 17.584 -5.922 1.00 0.00 C ATOM 737 OD1 ASP A 136 6.088 16.910 -6.864 1.00 0.00 O ATOM 738 OD2 ASP A 136 6.309 18.790 -5.836 1.00 0.00 O ATOM 0 H ASP A 136 5.826 14.830 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 136 8.401 15.795 -6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 136 6.506 16.659 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.973 17.529 -4.372 1.00 0.00 H new ATOM 743 N LYS A 137 8.158 14.402 -3.205 1.00 0.00 N ATOM 744 CA LYS A 137 8.971 13.811 -2.105 1.00 0.00 C ATOM 745 C LYS A 137 9.701 12.571 -2.611 1.00 0.00 C ATOM 746 O LYS A 137 10.768 12.231 -2.139 1.00 0.00 O ATOM 747 CB LYS A 137 8.050 13.428 -0.942 1.00 0.00 C ATOM 748 CG LYS A 137 7.416 14.699 -0.364 1.00 0.00 C ATOM 749 CD LYS A 137 6.608 14.355 0.890 1.00 0.00 C ATOM 750 CE LYS A 137 5.966 15.628 1.451 1.00 0.00 C ATOM 751 NZ LYS A 137 5.263 15.312 2.728 1.00 0.00 N ATOM 0 H LYS A 137 7.149 14.298 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 137 9.704 14.542 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.274 12.744 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.616 12.906 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.192 15.424 -0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.769 15.164 -1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.838 13.622 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 137 7.256 13.901 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.729 16.387 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.262 16.041 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 4.828 16.177 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.524 14.601 2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 5.946 14.937 3.417 1.00 0.00 H new ATOM 765 N GLY A 138 9.140 11.885 -3.563 1.00 0.00 N ATOM 766 CA GLY A 138 9.812 10.667 -4.088 1.00 0.00 C ATOM 767 C GLY A 138 11.201 11.031 -4.621 1.00 0.00 C ATOM 768 O GLY A 138 12.088 10.202 -4.678 1.00 0.00 O ATOM 0 H GLY A 138 8.247 12.114 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.899 9.920 -3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 138 9.212 10.223 -4.883 1.00 0.00 H new ATOM 772 N ASP A 139 11.391 12.258 -5.025 1.00 0.00 N ATOM 773 CA ASP A 139 12.717 12.672 -5.572 1.00 0.00 C ATOM 774 C ASP A 139 13.696 13.034 -4.446 1.00 0.00 C ATOM 775 O ASP A 139 14.785 13.503 -4.704 1.00 0.00 O ATOM 776 CB ASP A 139 12.527 13.891 -6.478 1.00 0.00 C ATOM 777 CG ASP A 139 12.149 15.114 -5.637 1.00 0.00 C ATOM 778 OD1 ASP A 139 12.296 15.053 -4.427 1.00 0.00 O ATOM 779 OD2 ASP A 139 11.713 16.096 -6.217 1.00 0.00 O ATOM 0 H ASP A 139 10.685 12.993 -5.000 1.00 0.00 H new ATOM 0 HA ASP A 139 13.132 11.836 -6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 139 13.445 14.090 -7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 139 11.748 13.690 -7.213 1.00 0.00 H new ATOM 784 N SER A 140 13.318 12.858 -3.206 1.00 0.00 N ATOM 785 CA SER A 140 14.245 13.239 -2.097 1.00 0.00 C ATOM 786 C SER A 140 14.202 12.222 -0.956 1.00 0.00 C ATOM 787 O SER A 140 13.284 11.433 -0.835 1.00 0.00 O ATOM 788 CB SER A 140 13.821 14.601 -1.556 1.00 0.00 C ATOM 789 OG SER A 140 14.832 15.096 -0.686 1.00 0.00 O ATOM 0 H SER A 140 12.420 12.472 -2.915 1.00 0.00 H new ATOM 0 HA SER A 140 15.261 13.269 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 140 13.660 15.298 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 140 12.875 14.514 -1.021 1.00 0.00 H new ATOM 0 HG SER A 140 14.564 15.972 -0.338 1.00 0.00 H new ATOM 795 N ASN A 141 15.196 12.259 -0.105 1.00 0.00 N ATOM 796 CA ASN A 141 15.244 11.331 1.058 1.00 0.00 C ATOM 797 C ASN A 141 14.029 11.598 1.949 1.00 0.00 C ATOM 798 O ASN A 141 13.591 10.755 2.706 1.00 0.00 O ATOM 799 CB ASN A 141 16.522 11.607 1.856 1.00 0.00 C ATOM 800 CG ASN A 141 17.716 11.712 0.902 1.00 0.00 C ATOM 801 OD1 ASN A 141 18.564 12.567 1.068 1.00 0.00 O ATOM 802 ND2 ASN A 141 17.818 10.876 -0.096 1.00 0.00 N ATOM 0 H ASN A 141 15.985 12.902 -0.170 1.00 0.00 H new ATOM 0 HA ASN A 141 15.235 10.296 0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 141 16.415 12.532 2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 141 16.691 10.808 2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 141 18.609 10.940 -0.736 1.00 0.00 H new ATOM 0 HD22 ASN A 141 17.106 10.159 -0.235 1.00 0.00 H new ATOM 809 N SER A 142 13.494 12.783 1.861 1.00 0.00 N ATOM 810 CA SER A 142 12.314 13.157 2.691 1.00 0.00 C ATOM 811 C SER A 142 11.275 12.033 2.676 1.00 0.00 C ATOM 812 O SER A 142 10.554 11.831 3.634 1.00 0.00 O ATOM 813 CB SER A 142 11.694 14.424 2.107 1.00 0.00 C ATOM 814 OG SER A 142 11.129 14.121 0.837 1.00 0.00 O ATOM 0 H SER A 142 13.829 13.520 1.240 1.00 0.00 H new ATOM 0 HA SER A 142 12.632 13.325 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 142 10.927 14.811 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 142 12.451 15.202 2.006 1.00 0.00 H new ATOM 0 HG SER A 142 10.727 14.930 0.456 1.00 0.00 H new ATOM 820 N SER A 143 11.179 11.311 1.595 1.00 0.00 N ATOM 821 CA SER A 143 10.173 10.212 1.516 1.00 0.00 C ATOM 822 C SER A 143 10.462 9.131 2.566 1.00 0.00 C ATOM 823 O SER A 143 9.566 8.454 3.028 1.00 0.00 O ATOM 824 CB SER A 143 10.220 9.584 0.125 1.00 0.00 C ATOM 825 OG SER A 143 11.275 8.631 0.078 1.00 0.00 O ATOM 0 H SER A 143 11.754 11.433 0.761 1.00 0.00 H new ATOM 0 HA SER A 143 9.185 10.631 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 143 9.269 9.103 -0.102 1.00 0.00 H new ATOM 0 HB3 SER A 143 10.376 10.355 -0.630 1.00 0.00 H new ATOM 0 HG SER A 143 11.308 8.224 -0.813 1.00 0.00 H new ATOM 831 N ALA A 144 11.702 8.944 2.930 1.00 0.00 N ATOM 832 CA ALA A 144 12.033 7.886 3.931 1.00 0.00 C ATOM 833 C ALA A 144 11.338 8.167 5.270 1.00 0.00 C ATOM 834 O ALA A 144 11.309 7.324 6.145 1.00 0.00 O ATOM 835 CB ALA A 144 13.547 7.825 4.141 1.00 0.00 C ATOM 0 H ALA A 144 12.499 9.476 2.579 1.00 0.00 H new ATOM 0 HA ALA A 144 11.679 6.929 3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 144 13.782 7.052 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.036 7.591 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 144 13.903 8.789 4.505 1.00 0.00 H new ATOM 841 N GLY A 145 10.783 9.335 5.447 1.00 0.00 N ATOM 842 CA GLY A 145 10.100 9.640 6.738 1.00 0.00 C ATOM 843 C GLY A 145 8.770 8.886 6.797 1.00 0.00 C ATOM 844 O GLY A 145 8.655 7.864 7.444 1.00 0.00 O ATOM 0 H GLY A 145 10.772 10.088 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 145 10.734 9.349 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 145 9.927 10.713 6.827 1.00 0.00 H new ATOM 848 N TRP A 146 7.765 9.373 6.118 1.00 0.00 N ATOM 849 CA TRP A 146 6.452 8.667 6.133 1.00 0.00 C ATOM 850 C TRP A 146 6.684 7.195 5.812 1.00 0.00 C ATOM 851 O TRP A 146 5.886 6.338 6.141 1.00 0.00 O ATOM 852 CB TRP A 146 5.517 9.278 5.087 1.00 0.00 C ATOM 853 CG TRP A 146 6.050 9.014 3.710 1.00 0.00 C ATOM 854 CD1 TRP A 146 7.235 9.461 3.239 1.00 0.00 C ATOM 855 CD2 TRP A 146 5.433 8.265 2.620 1.00 0.00 C ATOM 856 NE1 TRP A 146 7.391 9.027 1.934 1.00 0.00 N ATOM 857 CE2 TRP A 146 6.307 8.289 1.506 1.00 0.00 C ATOM 858 CE3 TRP A 146 4.215 7.572 2.489 1.00 0.00 C ATOM 859 CZ2 TRP A 146 5.986 7.650 0.309 1.00 0.00 C ATOM 860 CZ3 TRP A 146 3.888 6.928 1.284 1.00 0.00 C ATOM 861 CH2 TRP A 146 4.772 6.970 0.195 1.00 0.00 C ATOM 0 H TRP A 146 7.797 10.224 5.557 1.00 0.00 H new ATOM 0 HA TRP A 146 5.993 8.768 7.117 1.00 0.00 H new ATOM 0 HB2 TRP A 146 4.518 8.854 5.187 1.00 0.00 H new ATOM 0 HB3 TRP A 146 5.425 10.352 5.251 1.00 0.00 H new ATOM 0 HD1 TRP A 146 7.945 10.059 3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 146 8.209 9.228 1.358 1.00 0.00 H new ATOM 0 HE3 TRP A 146 3.527 7.535 3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 6.672 7.681 -0.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 2.951 6.398 1.195 1.00 0.00 H new ATOM 0 HH2 TRP A 146 4.514 6.477 -0.730 1.00 0.00 H new ATOM 872 N LYS A 147 7.782 6.894 5.176 1.00 0.00 N ATOM 873 CA LYS A 147 8.076 5.478 4.838 1.00 0.00 C ATOM 874 C LYS A 147 8.007 4.647 6.119 1.00 0.00 C ATOM 875 O LYS A 147 7.445 3.572 6.147 1.00 0.00 O ATOM 876 CB LYS A 147 9.486 5.377 4.252 1.00 0.00 C ATOM 877 CG LYS A 147 9.683 3.987 3.644 1.00 0.00 C ATOM 878 CD LYS A 147 11.157 3.777 3.278 1.00 0.00 C ATOM 879 CE LYS A 147 11.268 2.657 2.236 1.00 0.00 C ATOM 880 NZ LYS A 147 10.779 3.151 0.916 1.00 0.00 N ATOM 0 H LYS A 147 8.486 7.568 4.877 1.00 0.00 H new ATOM 0 HA LYS A 147 7.353 5.111 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 147 9.631 6.143 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 147 10.229 5.555 5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 147 9.364 3.223 4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 147 9.060 3.878 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 147 11.580 4.700 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 147 11.731 3.519 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 147 12.303 2.327 2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.683 1.793 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 10.031 2.519 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 10.397 4.112 1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 11.567 3.166 0.237 1.00 0.00 H new ATOM 894 N ASN A 148 8.579 5.150 7.173 1.00 0.00 N ATOM 895 CA ASN A 148 8.567 4.412 8.467 1.00 0.00 C ATOM 896 C ASN A 148 7.128 4.196 8.960 1.00 0.00 C ATOM 897 O ASN A 148 6.796 3.151 9.486 1.00 0.00 O ATOM 898 CB ASN A 148 9.341 5.221 9.509 1.00 0.00 C ATOM 899 CG ASN A 148 10.832 5.213 9.161 1.00 0.00 C ATOM 900 OD1 ASN A 148 11.291 4.377 8.407 1.00 0.00 O ATOM 901 ND2 ASN A 148 11.616 6.113 9.687 1.00 0.00 N ATOM 0 H ASN A 148 9.060 6.049 7.196 1.00 0.00 H new ATOM 0 HA ASN A 148 9.033 3.438 8.320 1.00 0.00 H new ATOM 0 HB2 ASN A 148 8.970 6.245 9.538 1.00 0.00 H new ATOM 0 HB3 ASN A 148 9.186 4.797 10.501 1.00 0.00 H new ATOM 0 HD21 ASN A 148 12.612 6.114 9.465 1.00 0.00 H new ATOM 0 HD22 ASN A 148 11.233 6.816 10.320 1.00 0.00 H new ATOM 908 N SER A 149 6.274 5.176 8.811 1.00 0.00 N ATOM 909 CA SER A 149 4.867 5.022 9.293 1.00 0.00 C ATOM 910 C SER A 149 4.219 3.785 8.663 1.00 0.00 C ATOM 911 O SER A 149 3.587 2.989 9.329 1.00 0.00 O ATOM 912 CB SER A 149 4.061 6.256 8.894 1.00 0.00 C ATOM 913 OG SER A 149 3.826 6.229 7.491 1.00 0.00 O ATOM 0 H SER A 149 6.489 6.074 8.378 1.00 0.00 H new ATOM 0 HA SER A 149 4.878 4.909 10.377 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.114 6.276 9.433 1.00 0.00 H new ATOM 0 HB3 SER A 149 4.602 7.162 9.167 1.00 0.00 H new ATOM 0 HG SER A 149 4.594 6.618 7.023 1.00 0.00 H new ATOM 919 N ILE A 150 4.363 3.630 7.382 1.00 0.00 N ATOM 920 CA ILE A 150 3.740 2.459 6.699 1.00 0.00 C ATOM 921 C ILE A 150 4.296 1.146 7.265 1.00 0.00 C ATOM 922 O ILE A 150 3.566 0.199 7.485 1.00 0.00 O ATOM 923 CB ILE A 150 4.036 2.551 5.197 1.00 0.00 C ATOM 924 CG1 ILE A 150 3.409 3.847 4.657 1.00 0.00 C ATOM 925 CG2 ILE A 150 3.442 1.339 4.472 1.00 0.00 C ATOM 926 CD1 ILE A 150 3.420 3.854 3.123 1.00 0.00 C ATOM 0 H ILE A 150 4.885 4.261 6.774 1.00 0.00 H new ATOM 0 HA ILE A 150 2.663 2.471 6.868 1.00 0.00 H new ATOM 0 HB ILE A 150 5.113 2.560 5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 150 2.385 3.940 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.960 4.709 5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 150 3.656 1.412 3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 150 3.883 0.425 4.869 1.00 0.00 H new ATOM 0 HG23 ILE A 150 2.363 1.317 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.972 4.779 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 150 4.448 3.784 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 150 2.848 3.004 2.751 1.00 0.00 H new ATOM 938 N ARG A 151 5.575 1.072 7.493 1.00 0.00 N ATOM 939 CA ARG A 151 6.166 -0.189 8.030 1.00 0.00 C ATOM 940 C ARG A 151 5.437 -0.625 9.309 1.00 0.00 C ATOM 941 O ARG A 151 5.156 -1.793 9.501 1.00 0.00 O ATOM 942 CB ARG A 151 7.647 0.034 8.339 1.00 0.00 C ATOM 943 CG ARG A 151 8.386 0.433 7.059 1.00 0.00 C ATOM 944 CD ARG A 151 9.893 0.455 7.327 1.00 0.00 C ATOM 945 NE ARG A 151 10.380 -0.940 7.540 1.00 0.00 N ATOM 946 CZ ARG A 151 11.655 -1.202 7.483 1.00 0.00 C ATOM 947 NH1 ARG A 151 12.503 -0.251 7.205 1.00 0.00 N ATOM 948 NH2 ARG A 151 12.081 -2.419 7.697 1.00 0.00 N ATOM 0 H ARG A 151 6.240 1.829 7.332 1.00 0.00 H new ATOM 0 HA ARG A 151 6.058 -0.973 7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.758 0.814 9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 151 8.083 -0.875 8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 151 8.158 -0.272 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 151 8.051 1.414 6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 151 10.416 0.910 6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 151 10.108 1.065 8.204 1.00 0.00 H new ATOM 0 HE ARG A 151 9.714 -1.689 7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 151 12.168 0.697 7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 151 13.501 -0.455 7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 151 11.415 -3.163 7.908 1.00 0.00 H new ATOM 0 HH22 ARG A 151 13.079 -2.625 7.653 1.00 0.00 H new ATOM 962 N HIS A 152 5.138 0.293 10.195 1.00 0.00 N ATOM 963 CA HIS A 152 4.444 -0.098 11.460 1.00 0.00 C ATOM 964 C HIS A 152 3.025 -0.584 11.156 1.00 0.00 C ATOM 965 O HIS A 152 2.502 -1.451 11.826 1.00 0.00 O ATOM 966 CB HIS A 152 4.390 1.095 12.429 1.00 0.00 C ATOM 967 CG HIS A 152 3.239 2.007 12.083 1.00 0.00 C ATOM 968 ND1 HIS A 152 3.433 3.303 11.626 1.00 0.00 N ATOM 969 CD2 HIS A 152 1.877 1.829 12.135 1.00 0.00 C ATOM 970 CE1 HIS A 152 2.219 3.849 11.422 1.00 0.00 C ATOM 971 NE2 HIS A 152 1.242 2.993 11.720 1.00 0.00 N ATOM 0 H HIS A 152 5.342 1.288 10.098 1.00 0.00 H new ATOM 0 HA HIS A 152 5.005 -0.908 11.927 1.00 0.00 H new ATOM 0 HB2 HIS A 152 4.281 0.735 13.452 1.00 0.00 H new ATOM 0 HB3 HIS A 152 5.327 1.650 12.384 1.00 0.00 H new ATOM 0 HD2 HIS A 152 1.378 0.924 12.450 1.00 0.00 H new ATOM 0 HE1 HIS A 152 2.057 4.854 11.062 1.00 0.00 H new ATOM 0 HE2 HIS A 152 0.237 3.158 11.657 1.00 0.00 H new ATOM 980 N ASN A 153 2.390 -0.028 10.164 1.00 0.00 N ATOM 981 CA ASN A 153 1.001 -0.463 9.845 1.00 0.00 C ATOM 982 C ASN A 153 1.013 -1.909 9.347 1.00 0.00 C ATOM 983 O ASN A 153 0.246 -2.734 9.803 1.00 0.00 O ATOM 984 CB ASN A 153 0.426 0.450 8.762 1.00 0.00 C ATOM 985 CG ASN A 153 0.255 1.856 9.339 1.00 0.00 C ATOM 986 OD1 ASN A 153 -0.504 2.054 10.266 1.00 0.00 O ATOM 987 ND2 ASN A 153 0.936 2.846 8.828 1.00 0.00 N ATOM 0 H ASN A 153 2.768 0.704 9.563 1.00 0.00 H new ATOM 0 HA ASN A 153 0.384 -0.401 10.742 1.00 0.00 H new ATOM 0 HB2 ASN A 153 1.090 0.475 7.898 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -0.533 0.066 8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 153 0.831 3.787 9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 153 1.573 2.678 8.049 1.00 0.00 H new ATOM 994 N LEU A 154 1.878 -2.225 8.422 1.00 0.00 N ATOM 995 CA LEU A 154 1.937 -3.624 7.905 1.00 0.00 C ATOM 996 C LEU A 154 2.259 -4.595 9.043 1.00 0.00 C ATOM 997 O LEU A 154 1.721 -5.680 9.114 1.00 0.00 O ATOM 998 CB LEU A 154 3.025 -3.738 6.839 1.00 0.00 C ATOM 999 CG LEU A 154 2.649 -2.914 5.604 1.00 0.00 C ATOM 1000 CD1 LEU A 154 3.769 -3.030 4.570 1.00 0.00 C ATOM 1001 CD2 LEU A 154 1.349 -3.446 4.995 1.00 0.00 C ATOM 0 H LEU A 154 2.545 -1.578 8.002 1.00 0.00 H new ATOM 0 HA LEU A 154 0.967 -3.874 7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.976 -3.389 7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.162 -4.783 6.560 1.00 0.00 H new ATOM 0 HG LEU A 154 2.509 -1.873 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 154 3.510 -2.446 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 154 4.698 -2.651 4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 154 3.898 -4.075 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.089 -2.854 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.483 -4.488 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.547 -3.376 5.730 1.00 0.00 H new ATOM 1013 N SER A 155 3.146 -4.221 9.924 1.00 0.00 N ATOM 1014 CA SER A 155 3.506 -5.141 11.037 1.00 0.00 C ATOM 1015 C SER A 155 2.368 -5.165 12.055 1.00 0.00 C ATOM 1016 O SER A 155 1.972 -6.208 12.536 1.00 0.00 O ATOM 1017 CB SER A 155 4.790 -4.646 11.706 1.00 0.00 C ATOM 1018 OG SER A 155 4.495 -3.499 12.491 1.00 0.00 O ATOM 0 H SER A 155 3.633 -3.325 9.921 1.00 0.00 H new ATOM 0 HA SER A 155 3.667 -6.147 10.650 1.00 0.00 H new ATOM 0 HB2 SER A 155 5.214 -5.431 12.332 1.00 0.00 H new ATOM 0 HB3 SER A 155 5.537 -4.402 10.951 1.00 0.00 H new ATOM 0 HG SER A 155 5.314 -3.179 12.923 1.00 0.00 H new ATOM 1024 N LEU A 156 1.823 -4.027 12.371 1.00 0.00 N ATOM 1025 CA LEU A 156 0.694 -3.992 13.337 1.00 0.00 C ATOM 1026 C LEU A 156 -0.598 -4.352 12.605 1.00 0.00 C ATOM 1027 O LEU A 156 -0.594 -4.670 11.433 1.00 0.00 O ATOM 1028 CB LEU A 156 0.557 -2.590 13.937 1.00 0.00 C ATOM 1029 CG LEU A 156 1.805 -2.226 14.751 1.00 0.00 C ATOM 1030 CD1 LEU A 156 1.568 -0.889 15.454 1.00 0.00 C ATOM 1031 CD2 LEU A 156 2.086 -3.305 15.809 1.00 0.00 C ATOM 0 H LEU A 156 2.110 -3.120 12.003 1.00 0.00 H new ATOM 0 HA LEU A 156 0.885 -4.706 14.138 1.00 0.00 H new ATOM 0 HB2 LEU A 156 0.410 -1.861 13.140 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -0.325 -2.547 14.575 1.00 0.00 H new ATOM 0 HG LEU A 156 2.660 -2.155 14.079 1.00 0.00 H new ATOM 0 HD11 LEU A 156 2.451 -0.622 16.035 1.00 0.00 H new ATOM 0 HD12 LEU A 156 1.376 -0.116 14.710 1.00 0.00 H new ATOM 0 HD13 LEU A 156 0.708 -0.975 16.118 1.00 0.00 H new ATOM 0 HD21 LEU A 156 2.974 -3.033 16.379 1.00 0.00 H new ATOM 0 HD22 LEU A 156 1.233 -3.385 16.483 1.00 0.00 H new ATOM 0 HD23 LEU A 156 2.250 -4.263 15.317 1.00 0.00 H new ATOM 1043 N HIS A 157 -1.705 -4.298 13.293 1.00 0.00 N ATOM 1044 CA HIS A 157 -3.009 -4.624 12.650 1.00 0.00 C ATOM 1045 C HIS A 157 -2.940 -6.002 11.986 1.00 0.00 C ATOM 1046 O HIS A 157 -2.433 -6.149 10.891 1.00 0.00 O ATOM 1047 CB HIS A 157 -3.337 -3.568 11.586 1.00 0.00 C ATOM 1048 CG HIS A 157 -4.051 -2.401 12.217 1.00 0.00 C ATOM 1049 ND1 HIS A 157 -5.385 -2.119 11.950 1.00 0.00 N ATOM 1050 CD2 HIS A 157 -3.630 -1.426 13.089 1.00 0.00 C ATOM 1051 CE1 HIS A 157 -5.715 -1.015 12.645 1.00 0.00 C ATOM 1052 NE2 HIS A 157 -4.683 -0.556 13.356 1.00 0.00 N ATOM 0 H HIS A 157 -1.763 -4.041 14.278 1.00 0.00 H new ATOM 0 HA HIS A 157 -3.786 -4.632 13.415 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -2.420 -3.227 11.106 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -3.960 -4.007 10.807 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.636 -1.347 13.503 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -6.693 -0.557 12.629 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -4.669 0.261 13.967 1.00 0.00 H new ATOM 1061 N SER A 158 -3.461 -7.011 12.631 1.00 0.00 N ATOM 1062 CA SER A 158 -3.439 -8.371 12.023 1.00 0.00 C ATOM 1063 C SER A 158 -4.268 -8.348 10.737 1.00 0.00 C ATOM 1064 O SER A 158 -4.266 -9.288 9.968 1.00 0.00 O ATOM 1065 CB SER A 158 -4.036 -9.389 12.999 1.00 0.00 C ATOM 1066 OG SER A 158 -5.365 -9.004 13.321 1.00 0.00 O ATOM 0 H SER A 158 -3.900 -6.952 13.550 1.00 0.00 H new ATOM 0 HA SER A 158 -2.411 -8.657 11.800 1.00 0.00 H new ATOM 0 HB2 SER A 158 -4.031 -10.384 12.554 1.00 0.00 H new ATOM 0 HB3 SER A 158 -3.431 -9.441 13.904 1.00 0.00 H new ATOM 0 HG SER A 158 -5.752 -9.654 13.944 1.00 0.00 H new ATOM 1072 N LYS A 159 -4.982 -7.278 10.500 1.00 0.00 N ATOM 1073 CA LYS A 159 -5.811 -7.198 9.264 1.00 0.00 C ATOM 1074 C LYS A 159 -4.954 -7.563 8.054 1.00 0.00 C ATOM 1075 O LYS A 159 -5.400 -8.238 7.149 1.00 0.00 O ATOM 1076 CB LYS A 159 -6.340 -5.775 9.085 1.00 0.00 C ATOM 1077 CG LYS A 159 -7.263 -5.736 7.863 1.00 0.00 C ATOM 1078 CD LYS A 159 -7.799 -4.317 7.663 1.00 0.00 C ATOM 1079 CE LYS A 159 -8.941 -4.346 6.647 1.00 0.00 C ATOM 1080 NZ LYS A 159 -8.607 -5.299 5.551 1.00 0.00 N ATOM 0 H LYS A 159 -5.026 -6.460 11.107 1.00 0.00 H new ATOM 0 HA LYS A 159 -6.648 -7.891 9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -6.882 -5.460 9.977 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -5.511 -5.079 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -6.719 -6.058 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -8.091 -6.432 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -8.151 -3.912 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -7.002 -3.661 7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -9.868 -4.647 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -9.104 -3.349 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -9.221 -5.115 4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -7.613 -5.174 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -8.754 -6.274 5.882 1.00 0.00 H new ATOM 1094 N PHE A 160 -3.729 -7.115 8.027 1.00 0.00 N ATOM 1095 CA PHE A 160 -2.852 -7.436 6.866 1.00 0.00 C ATOM 1096 C PHE A 160 -2.120 -8.751 7.133 1.00 0.00 C ATOM 1097 O PHE A 160 -1.352 -8.863 8.069 1.00 0.00 O ATOM 1098 CB PHE A 160 -1.824 -6.316 6.672 1.00 0.00 C ATOM 1099 CG PHE A 160 -2.531 -5.021 6.348 1.00 0.00 C ATOM 1100 CD1 PHE A 160 -2.994 -4.786 5.050 1.00 0.00 C ATOM 1101 CD2 PHE A 160 -2.715 -4.054 7.344 1.00 0.00 C ATOM 1102 CE1 PHE A 160 -3.645 -3.586 4.746 1.00 0.00 C ATOM 1103 CE2 PHE A 160 -3.366 -2.851 7.041 1.00 0.00 C ATOM 1104 CZ PHE A 160 -3.830 -2.617 5.742 1.00 0.00 C ATOM 0 H PHE A 160 -3.299 -6.544 8.754 1.00 0.00 H new ATOM 0 HA PHE A 160 -3.462 -7.529 5.967 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -1.226 -6.198 7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -1.137 -6.577 5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -2.849 -5.531 4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -2.355 -4.236 8.346 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -4.005 -3.406 3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -3.509 -2.105 7.809 1.00 0.00 H new ATOM 0 HZ PHE A 160 -4.331 -1.690 5.507 1.00 0.00 H new ATOM 1114 N ILE A 161 -2.340 -9.748 6.311 1.00 0.00 N ATOM 1115 CA ILE A 161 -1.641 -11.050 6.517 1.00 0.00 C ATOM 1116 C ILE A 161 -0.495 -11.169 5.509 1.00 0.00 C ATOM 1117 O ILE A 161 -0.663 -10.936 4.327 1.00 0.00 O ATOM 1118 CB ILE A 161 -2.641 -12.204 6.354 1.00 0.00 C ATOM 1119 CG1 ILE A 161 -2.978 -12.421 4.876 1.00 0.00 C ATOM 1120 CG2 ILE A 161 -3.927 -11.870 7.114 1.00 0.00 C ATOM 1121 CD1 ILE A 161 -4.167 -13.383 4.762 1.00 0.00 C ATOM 0 H ILE A 161 -2.971 -9.715 5.510 1.00 0.00 H new ATOM 0 HA ILE A 161 -1.227 -11.098 7.524 1.00 0.00 H new ATOM 0 HB ILE A 161 -2.192 -13.114 6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -3.219 -11.469 4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -2.114 -12.828 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.639 -12.687 7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.699 -11.731 8.171 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.359 -10.953 6.713 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -4.409 -13.539 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -3.908 -14.337 5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -5.030 -12.957 5.274 1.00 0.00 H new ATOM 1133 N LYS A 162 0.677 -11.501 5.982 1.00 0.00 N ATOM 1134 CA LYS A 162 1.856 -11.605 5.076 1.00 0.00 C ATOM 1135 C LYS A 162 1.927 -12.984 4.424 1.00 0.00 C ATOM 1136 O LYS A 162 1.353 -13.945 4.894 1.00 0.00 O ATOM 1137 CB LYS A 162 3.131 -11.351 5.879 1.00 0.00 C ATOM 1138 CG LYS A 162 4.303 -11.137 4.922 1.00 0.00 C ATOM 1139 CD LYS A 162 5.485 -10.526 5.681 1.00 0.00 C ATOM 1140 CE LYS A 162 6.341 -11.648 6.280 1.00 0.00 C ATOM 1141 NZ LYS A 162 7.338 -11.072 7.227 1.00 0.00 N ATOM 0 H LYS A 162 0.868 -11.706 6.963 1.00 0.00 H new ATOM 0 HA LYS A 162 1.756 -10.860 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 162 3.004 -10.476 6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 162 3.334 -12.197 6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 162 4.597 -12.086 4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.003 -10.479 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 162 6.086 -9.915 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 162 5.123 -9.868 6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 162 5.705 -12.365 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.852 -12.191 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 7.916 -11.837 7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 7.953 -10.404 6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 6.842 -10.573 7.992 1.00 0.00 H new ATOM 1155 N VAL A 163 2.637 -13.070 3.329 1.00 0.00 N ATOM 1156 CA VAL A 163 2.775 -14.362 2.595 1.00 0.00 C ATOM 1157 C VAL A 163 4.240 -14.795 2.586 1.00 0.00 C ATOM 1158 O VAL A 163 5.112 -14.043 2.204 1.00 0.00 O ATOM 1159 CB VAL A 163 2.315 -14.139 1.159 1.00 0.00 C ATOM 1160 CG1 VAL A 163 2.471 -15.419 0.336 1.00 0.00 C ATOM 1161 CG2 VAL A 163 0.846 -13.722 1.168 1.00 0.00 C ATOM 0 H VAL A 163 3.135 -12.286 2.906 1.00 0.00 H new ATOM 0 HA VAL A 163 2.177 -15.134 3.078 1.00 0.00 H new ATOM 0 HB VAL A 163 2.928 -13.359 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 163 2.137 -15.238 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.518 -15.721 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.869 -16.212 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.507 -13.560 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.247 -14.508 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.733 -12.800 1.738 1.00 0.00 H new ATOM 1171 N HIS A 164 4.521 -16.004 2.982 1.00 0.00 N ATOM 1172 CA HIS A 164 5.933 -16.467 2.965 1.00 0.00 C ATOM 1173 C HIS A 164 6.319 -16.792 1.519 1.00 0.00 C ATOM 1174 O HIS A 164 5.944 -17.816 0.984 1.00 0.00 O ATOM 1175 CB HIS A 164 6.083 -17.719 3.841 1.00 0.00 C ATOM 1176 CG HIS A 164 7.013 -18.692 3.166 1.00 0.00 C ATOM 1177 ND1 HIS A 164 6.611 -19.969 2.791 1.00 0.00 N ATOM 1178 CD2 HIS A 164 8.319 -18.574 2.762 1.00 0.00 C ATOM 1179 CE1 HIS A 164 7.659 -20.561 2.186 1.00 0.00 C ATOM 1180 NE2 HIS A 164 8.722 -19.753 2.143 1.00 0.00 N ATOM 0 H HIS A 164 3.839 -16.686 3.314 1.00 0.00 H new ATOM 0 HA HIS A 164 6.586 -15.688 3.359 1.00 0.00 H new ATOM 0 HB2 HIS A 164 6.473 -17.446 4.821 1.00 0.00 H new ATOM 0 HB3 HIS A 164 5.110 -18.182 4.003 1.00 0.00 H new ATOM 0 HD2 HIS A 164 8.939 -17.701 2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 164 7.642 -21.564 1.786 1.00 0.00 H new ATOM 0 HE2 HIS A 164 9.637 -19.957 1.741 1.00 0.00 H new ATOM 1189 N ASN A 165 7.061 -15.933 0.882 1.00 0.00 N ATOM 1190 CA ASN A 165 7.459 -16.205 -0.524 1.00 0.00 C ATOM 1191 C ASN A 165 8.372 -17.431 -0.567 1.00 0.00 C ATOM 1192 O ASN A 165 9.209 -17.625 0.291 1.00 0.00 O ATOM 1193 CB ASN A 165 8.203 -14.993 -1.085 1.00 0.00 C ATOM 1194 CG ASN A 165 8.147 -15.019 -2.611 1.00 0.00 C ATOM 1195 OD1 ASN A 165 7.348 -15.727 -3.195 1.00 0.00 O ATOM 1196 ND2 ASN A 165 8.967 -14.269 -3.289 1.00 0.00 N ATOM 0 H ASN A 165 7.408 -15.057 1.273 1.00 0.00 H new ATOM 0 HA ASN A 165 6.569 -16.395 -1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 165 7.755 -14.073 -0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 165 9.240 -15.002 -0.749 1.00 0.00 H new ATOM 0 HD21 ASN A 165 8.939 -14.275 -4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 165 9.637 -13.675 -2.801 1.00 0.00 H new ATOM 1203 N GLU A 166 8.221 -18.257 -1.565 1.00 0.00 N ATOM 1204 CA GLU A 166 9.080 -19.470 -1.670 1.00 0.00 C ATOM 1205 C GLU A 166 10.517 -19.056 -2.004 1.00 0.00 C ATOM 1206 O GLU A 166 11.463 -19.745 -1.677 1.00 0.00 O ATOM 1207 CB GLU A 166 8.532 -20.387 -2.770 1.00 0.00 C ATOM 1208 CG GLU A 166 7.255 -21.065 -2.267 1.00 0.00 C ATOM 1209 CD GLU A 166 6.611 -21.872 -3.399 1.00 0.00 C ATOM 1210 OE1 GLU A 166 7.193 -22.867 -3.798 1.00 0.00 O ATOM 1211 OE2 GLU A 166 5.545 -21.481 -3.844 1.00 0.00 O ATOM 0 H GLU A 166 7.538 -18.144 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 166 9.076 -20.004 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.322 -19.810 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 166 9.275 -21.138 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.488 -21.721 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 166 6.555 -20.314 -1.900 1.00 0.00 H new ATOM 1218 N ALA A 167 10.685 -17.935 -2.651 1.00 0.00 N ATOM 1219 CA ALA A 167 12.054 -17.469 -3.008 1.00 0.00 C ATOM 1220 C ALA A 167 12.851 -17.170 -1.736 1.00 0.00 C ATOM 1221 O ALA A 167 13.298 -16.063 -1.518 1.00 0.00 O ATOM 1222 CB ALA A 167 11.960 -16.207 -3.870 1.00 0.00 C ATOM 0 H ALA A 167 9.928 -17.319 -2.949 1.00 0.00 H new ATOM 0 HA ALA A 167 12.563 -18.252 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 167 12.963 -15.868 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 167 11.405 -16.429 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 167 11.445 -15.424 -3.313 1.00 0.00 H new ATOM 1271 N SER A 171 10.736 -11.848 -1.451 1.00 0.00 N ATOM 1272 CA SER A 171 9.670 -10.813 -1.599 1.00 0.00 C ATOM 1273 C SER A 171 8.372 -11.300 -0.942 1.00 0.00 C ATOM 1274 O SER A 171 7.554 -11.946 -1.567 1.00 0.00 O ATOM 1275 CB SER A 171 9.429 -10.552 -3.090 1.00 0.00 C ATOM 1276 OG SER A 171 9.806 -9.217 -3.393 1.00 0.00 O ATOM 0 HA SER A 171 9.987 -9.892 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 171 10.007 -11.252 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 171 8.379 -10.711 -3.335 1.00 0.00 H new ATOM 0 HG SER A 171 9.656 -9.043 -4.346 1.00 0.00 H new ATOM 1282 N SER A 172 8.173 -10.987 0.312 1.00 0.00 N ATOM 1283 CA SER A 172 6.923 -11.420 1.004 1.00 0.00 C ATOM 1284 C SER A 172 5.719 -10.682 0.402 1.00 0.00 C ATOM 1285 O SER A 172 5.736 -9.478 0.236 1.00 0.00 O ATOM 1286 CB SER A 172 7.030 -11.101 2.500 1.00 0.00 C ATOM 1287 OG SER A 172 8.374 -10.757 2.810 1.00 0.00 O ATOM 0 H SER A 172 8.822 -10.450 0.887 1.00 0.00 H new ATOM 0 HA SER A 172 6.788 -12.494 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 172 6.363 -10.278 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 172 6.717 -11.962 3.091 1.00 0.00 H new ATOM 0 HG SER A 172 8.447 -10.551 3.765 1.00 0.00 H new ATOM 1293 N TRP A 173 4.676 -11.396 0.079 1.00 0.00 N ATOM 1294 CA TRP A 173 3.463 -10.753 -0.505 1.00 0.00 C ATOM 1295 C TRP A 173 2.510 -10.325 0.623 1.00 0.00 C ATOM 1296 O TRP A 173 2.286 -11.058 1.566 1.00 0.00 O ATOM 1297 CB TRP A 173 2.768 -11.764 -1.424 1.00 0.00 C ATOM 1298 CG TRP A 173 3.796 -12.443 -2.275 1.00 0.00 C ATOM 1299 CD1 TRP A 173 4.612 -13.457 -1.890 1.00 0.00 C ATOM 1300 CD2 TRP A 173 4.121 -12.158 -3.654 1.00 0.00 C ATOM 1301 NE1 TRP A 173 5.420 -13.802 -2.963 1.00 0.00 N ATOM 1302 CE2 TRP A 173 5.149 -13.027 -4.076 1.00 0.00 C ATOM 1303 CE3 TRP A 173 3.613 -11.229 -4.564 1.00 0.00 C ATOM 1304 CZ2 TRP A 173 5.660 -12.968 -5.374 1.00 0.00 C ATOM 1305 CZ3 TRP A 173 4.118 -11.161 -5.871 1.00 0.00 C ATOM 1306 CH2 TRP A 173 5.143 -12.029 -6.276 1.00 0.00 C ATOM 0 H TRP A 173 4.611 -12.407 0.196 1.00 0.00 H new ATOM 0 HA TRP A 173 3.746 -9.869 -1.077 1.00 0.00 H new ATOM 0 HB2 TRP A 173 2.226 -12.500 -0.831 1.00 0.00 H new ATOM 0 HB3 TRP A 173 2.035 -11.258 -2.052 1.00 0.00 H new ATOM 0 HD1 TRP A 173 4.629 -13.917 -0.913 1.00 0.00 H new ATOM 0 HE1 TRP A 173 6.127 -14.537 -2.935 1.00 0.00 H new ATOM 0 HE3 TRP A 173 2.824 -10.557 -4.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 6.447 -13.641 -5.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 3.717 -10.439 -6.567 1.00 0.00 H new ATOM 0 HH2 TRP A 173 5.533 -11.973 -7.282 1.00 0.00 H new ATOM 1317 N TRP A 174 1.943 -9.144 0.534 1.00 0.00 N ATOM 1318 CA TRP A 174 1.004 -8.673 1.600 1.00 0.00 C ATOM 1319 C TRP A 174 -0.446 -8.934 1.164 1.00 0.00 C ATOM 1320 O TRP A 174 -0.835 -8.618 0.053 1.00 0.00 O ATOM 1321 CB TRP A 174 1.195 -7.170 1.819 1.00 0.00 C ATOM 1322 CG TRP A 174 2.507 -6.901 2.501 1.00 0.00 C ATOM 1323 CD1 TRP A 174 3.584 -6.329 1.913 1.00 0.00 C ATOM 1324 CD2 TRP A 174 2.896 -7.168 3.885 1.00 0.00 C ATOM 1325 NE1 TRP A 174 4.599 -6.214 2.847 1.00 0.00 N ATOM 1326 CE2 TRP A 174 4.224 -6.718 4.077 1.00 0.00 C ATOM 1327 CE3 TRP A 174 2.233 -7.746 4.982 1.00 0.00 C ATOM 1328 CZ2 TRP A 174 4.869 -6.835 5.312 1.00 0.00 C ATOM 1329 CZ3 TRP A 174 2.876 -7.865 6.225 1.00 0.00 C ATOM 1330 CH2 TRP A 174 4.191 -7.410 6.391 1.00 0.00 C ATOM 0 H TRP A 174 2.091 -8.487 -0.232 1.00 0.00 H new ATOM 0 HA TRP A 174 1.212 -9.212 2.524 1.00 0.00 H new ATOM 0 HB2 TRP A 174 1.162 -6.650 0.862 1.00 0.00 H new ATOM 0 HB3 TRP A 174 0.377 -6.777 2.423 1.00 0.00 H new ATOM 0 HD1 TRP A 174 3.642 -6.013 0.882 1.00 0.00 H new ATOM 0 HE1 TRP A 174 5.513 -5.806 2.651 1.00 0.00 H new ATOM 0 HE3 TRP A 174 1.220 -8.102 4.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 174 5.883 -6.484 5.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 174 2.353 -8.310 7.059 1.00 0.00 H new ATOM 0 HH2 TRP A 174 4.679 -7.503 7.350 1.00 0.00 H new ATOM 1341 N MET A 175 -1.245 -9.515 2.028 1.00 0.00 N ATOM 1342 CA MET A 175 -2.671 -9.812 1.671 1.00 0.00 C ATOM 1343 C MET A 175 -3.610 -9.334 2.784 1.00 0.00 C ATOM 1344 O MET A 175 -3.240 -9.274 3.940 1.00 0.00 O ATOM 1345 CB MET A 175 -2.842 -11.325 1.513 1.00 0.00 C ATOM 1346 CG MET A 175 -2.204 -11.795 0.200 1.00 0.00 C ATOM 1347 SD MET A 175 -2.908 -13.393 -0.284 1.00 0.00 S ATOM 1348 CE MET A 175 -2.317 -14.369 1.123 1.00 0.00 C ATOM 0 H MET A 175 -0.970 -9.798 2.969 1.00 0.00 H new ATOM 0 HA MET A 175 -2.915 -9.296 0.742 1.00 0.00 H new ATOM 0 HB2 MET A 175 -2.380 -11.841 2.355 1.00 0.00 H new ATOM 0 HB3 MET A 175 -3.901 -11.582 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 175 -2.378 -11.058 -0.584 1.00 0.00 H new ATOM 0 HG3 MET A 175 -1.124 -11.884 0.321 1.00 0.00 H new ATOM 0 HE1 MET A 175 -1.693 -15.187 0.762 1.00 0.00 H new ATOM 0 HE2 MET A 175 -1.733 -13.733 1.787 1.00 0.00 H new ATOM 0 HE3 MET A 175 -3.169 -14.776 1.667 1.00 0.00 H new ATOM 1358 N LEU A 176 -4.834 -9.015 2.448 1.00 0.00 N ATOM 1359 CA LEU A 176 -5.804 -8.575 3.490 1.00 0.00 C ATOM 1360 C LEU A 176 -6.354 -9.808 4.212 1.00 0.00 C ATOM 1361 O LEU A 176 -6.151 -10.930 3.786 1.00 0.00 O ATOM 1362 CB LEU A 176 -6.978 -7.835 2.844 1.00 0.00 C ATOM 1363 CG LEU A 176 -6.472 -6.744 1.899 1.00 0.00 C ATOM 1364 CD1 LEU A 176 -7.671 -5.997 1.292 1.00 0.00 C ATOM 1365 CD2 LEU A 176 -5.588 -5.763 2.678 1.00 0.00 C ATOM 0 H LEU A 176 -5.201 -9.041 1.497 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.293 -7.912 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -7.601 -8.540 2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.605 -7.392 3.617 1.00 0.00 H new ATOM 0 HG LEU A 176 -5.887 -7.196 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -7.312 -5.219 0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -8.294 -6.699 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -8.259 -5.543 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -5.227 -4.985 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -6.169 -5.308 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.739 -6.298 3.103 1.00 0.00 H new ATOM 1377 N ASN A 177 -7.071 -9.615 5.285 1.00 0.00 N ATOM 1378 CA ASN A 177 -7.654 -10.785 5.998 1.00 0.00 C ATOM 1379 C ASN A 177 -8.780 -11.360 5.120 1.00 0.00 C ATOM 1380 O ASN A 177 -9.442 -10.635 4.405 1.00 0.00 O ATOM 1381 CB ASN A 177 -8.218 -10.334 7.362 1.00 0.00 C ATOM 1382 CG ASN A 177 -7.309 -10.805 8.508 1.00 0.00 C ATOM 1383 OD1 ASN A 177 -6.385 -11.569 8.302 1.00 0.00 O ATOM 1384 ND2 ASN A 177 -7.537 -10.373 9.723 1.00 0.00 N ATOM 0 H ASN A 177 -7.277 -8.704 5.696 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.893 -11.545 6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -8.306 -9.248 7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -9.221 -10.738 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -6.941 -10.677 10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -8.311 -9.732 9.900 1.00 0.00 H new