USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=24 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 140 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 141 ASN : amide:sc= -0.642 K(o=-0.64,f=-5.3!) USER MOD Set 1.3: A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc=-0.00284 K(o=-0.0028,f=-0.74) USER MOD Single : A 101 SER OG : rot 150:sc= -0.6 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -29:sc= 0.262 USER MOD Single : A 108 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.43) USER MOD Single : A 112 SER OG : rot -50:sc= 1.22 USER MOD Single : A 116 LYS NZ :NH3+ 163:sc= -0.243 (180deg=-0.948) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 122 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.5) USER MOD Single : A 124 TYR OH : rot -23:sc= 0.144 USER MOD Single : A 127 MET CE :methyl -111:sc=-0.000965 (180deg=-2.37) USER MOD Single : A 130 THR OG1 : rot 148:sc= 1.01 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ -112:sc= 0.776 (180deg=-1.28) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 ASN : amide:sc= -5.84! C(o=-5.8!,f=-15!) USER MOD Single : A 149 SER OG : rot -102:sc= 0.351 USER MOD Single : A 152 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-3!) USER MOD Single : A 153 ASN : amide:sc= -1.61! X(o=-1.6!,f=-1.4) USER MOD Single : A 155 SER OG : rot -62:sc= 0.931 USER MOD Single : A 157 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 160:sc=-0.00633 (180deg=-0.216) USER MOD Single : A 162 LYS NZ :NH3+ -154:sc= -0.0677 (180deg=-0.504) USER MOD Single : A 164 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.77) USER MOD Single : A 165 ASN : amide:sc= -3.95! C(o=-3.9!,f=-9!) USER MOD Single : A 171 SER OG : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot 140:sc= 0 USER MOD Single : A 175 MET CE :methyl 157:sc= -0.161 (180deg=-1.22) USER MOD Single : A 177 ASN :FLIP amide:sc= -2.98 F(o=-5.9!,f=-3) USER MOD ----------------------------------------------------------------- ATOM 129 N GLN A 100 -8.884 11.147 4.347 1.00 0.00 N ATOM 130 CA GLN A 100 -8.588 9.702 4.095 1.00 0.00 C ATOM 131 C GLN A 100 -7.509 9.228 5.071 1.00 0.00 C ATOM 132 O GLN A 100 -6.699 10.003 5.536 1.00 0.00 O ATOM 133 CB GLN A 100 -8.091 9.521 2.661 1.00 0.00 C ATOM 134 CG GLN A 100 -9.088 10.168 1.699 1.00 0.00 C ATOM 135 CD GLN A 100 -8.745 9.777 0.260 1.00 0.00 C ATOM 136 OE1 GLN A 100 -7.588 9.657 -0.091 1.00 0.00 O ATOM 137 NE2 GLN A 100 -9.711 9.576 -0.595 1.00 0.00 N ATOM 0 HA GLN A 100 -9.496 9.116 4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.107 9.975 2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.982 8.461 2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.101 9.848 1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.061 11.252 1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.682 9.677 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.494 9.318 -1.558 1.00 0.00 H new ATOM 146 N SER A 101 -7.494 7.958 5.387 1.00 0.00 N ATOM 147 CA SER A 101 -6.468 7.430 6.341 1.00 0.00 C ATOM 148 C SER A 101 -5.442 6.585 5.575 1.00 0.00 C ATOM 149 O SER A 101 -5.725 6.057 4.520 1.00 0.00 O ATOM 150 CB SER A 101 -7.161 6.569 7.396 1.00 0.00 C ATOM 151 OG SER A 101 -7.302 5.244 6.904 1.00 0.00 O ATOM 0 H SER A 101 -8.147 7.263 5.026 1.00 0.00 H new ATOM 0 HA SER A 101 -5.956 8.260 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.580 6.567 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.139 6.986 7.636 1.00 0.00 H new ATOM 0 HG SER A 101 -7.279 4.613 7.653 1.00 0.00 H new ATOM 157 N TYR A 102 -4.247 6.468 6.097 1.00 0.00 N ATOM 158 CA TYR A 102 -3.193 5.672 5.395 1.00 0.00 C ATOM 159 C TYR A 102 -3.597 4.194 5.306 1.00 0.00 C ATOM 160 O TYR A 102 -3.481 3.575 4.268 1.00 0.00 O ATOM 161 CB TYR A 102 -1.872 5.757 6.172 1.00 0.00 C ATOM 162 CG TYR A 102 -1.224 7.117 6.009 1.00 0.00 C ATOM 163 CD1 TYR A 102 -1.004 7.657 4.731 1.00 0.00 C ATOM 164 CD2 TYR A 102 -0.823 7.831 7.146 1.00 0.00 C ATOM 165 CE1 TYR A 102 -0.387 8.907 4.598 1.00 0.00 C ATOM 166 CE2 TYR A 102 -0.208 9.079 7.010 1.00 0.00 C ATOM 167 CZ TYR A 102 0.012 9.618 5.737 1.00 0.00 C ATOM 168 OH TYR A 102 0.624 10.848 5.604 1.00 0.00 O ATOM 0 H TYR A 102 -3.955 6.889 6.979 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.076 6.082 4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.056 5.564 7.229 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.190 4.982 5.820 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.310 7.109 3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.989 7.416 8.129 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.219 9.323 3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.098 9.628 7.888 1.00 0.00 H new ATOM 0 HH TYR A 102 0.835 11.206 6.491 1.00 0.00 H new ATOM 178 N ALA A 103 -4.041 3.617 6.389 1.00 0.00 N ATOM 179 CA ALA A 103 -4.416 2.169 6.369 1.00 0.00 C ATOM 180 C ALA A 103 -5.424 1.887 5.252 1.00 0.00 C ATOM 181 O ALA A 103 -5.292 0.929 4.514 1.00 0.00 O ATOM 182 CB ALA A 103 -5.034 1.781 7.714 1.00 0.00 C ATOM 0 H ALA A 103 -4.161 4.083 7.288 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.516 1.581 6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.307 0.726 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.311 1.957 8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.925 2.383 7.892 1.00 0.00 H new ATOM 188 N GLU A 104 -6.434 2.697 5.129 1.00 0.00 N ATOM 189 CA GLU A 104 -7.451 2.452 4.071 1.00 0.00 C ATOM 190 C GLU A 104 -6.827 2.612 2.677 1.00 0.00 C ATOM 191 O GLU A 104 -7.177 1.905 1.753 1.00 0.00 O ATOM 192 CB GLU A 104 -8.609 3.437 4.237 1.00 0.00 C ATOM 193 CG GLU A 104 -9.291 3.190 5.586 1.00 0.00 C ATOM 194 CD GLU A 104 -10.556 4.044 5.687 1.00 0.00 C ATOM 195 OE1 GLU A 104 -11.455 3.837 4.889 1.00 0.00 O ATOM 196 OE2 GLU A 104 -10.608 4.888 6.568 1.00 0.00 O ATOM 0 H GLU A 104 -6.600 3.517 5.713 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.823 1.432 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.241 4.462 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.326 3.314 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.544 2.135 5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.609 3.435 6.400 1.00 0.00 H new ATOM 203 N LEU A 105 -5.920 3.536 2.507 1.00 0.00 N ATOM 204 CA LEU A 105 -5.305 3.722 1.159 1.00 0.00 C ATOM 205 C LEU A 105 -4.482 2.488 0.773 1.00 0.00 C ATOM 206 O LEU A 105 -4.505 2.049 -0.360 1.00 0.00 O ATOM 207 CB LEU A 105 -4.395 4.956 1.159 1.00 0.00 C ATOM 208 CG LEU A 105 -5.231 6.237 1.296 1.00 0.00 C ATOM 209 CD1 LEU A 105 -4.304 7.455 1.251 1.00 0.00 C ATOM 210 CD2 LEU A 105 -6.246 6.335 0.146 1.00 0.00 C ATOM 0 H LEU A 105 -5.580 4.165 3.235 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.106 3.861 0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.682 4.890 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.816 4.989 0.236 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.767 6.210 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.895 8.366 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.588 7.398 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.768 7.470 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.832 7.247 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.716 6.356 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.911 5.471 0.173 1.00 0.00 H new ATOM 222 N ILE A 106 -3.750 1.925 1.692 1.00 0.00 N ATOM 223 CA ILE A 106 -2.931 0.730 1.347 1.00 0.00 C ATOM 224 C ILE A 106 -3.850 -0.381 0.838 1.00 0.00 C ATOM 225 O ILE A 106 -3.560 -1.036 -0.144 1.00 0.00 O ATOM 226 CB ILE A 106 -2.175 0.242 2.585 1.00 0.00 C ATOM 227 CG1 ILE A 106 -1.255 1.359 3.086 1.00 0.00 C ATOM 228 CG2 ILE A 106 -1.341 -0.987 2.220 1.00 0.00 C ATOM 229 CD1 ILE A 106 -0.621 0.944 4.413 1.00 0.00 C ATOM 0 H ILE A 106 -3.683 2.237 2.661 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.212 0.996 0.572 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.884 -0.024 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.479 1.563 2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.822 2.281 3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.802 -1.336 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.998 -1.779 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.628 -0.724 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.033 1.740 4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.404 0.762 5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.040 0.033 4.269 1.00 0.00 H new ATOM 241 N SER A 107 -4.954 -0.599 1.495 1.00 0.00 N ATOM 242 CA SER A 107 -5.886 -1.666 1.039 1.00 0.00 C ATOM 243 C SER A 107 -6.276 -1.417 -0.418 1.00 0.00 C ATOM 244 O SER A 107 -6.418 -2.338 -1.195 1.00 0.00 O ATOM 245 CB SER A 107 -7.136 -1.663 1.916 1.00 0.00 C ATOM 246 OG SER A 107 -7.732 -0.372 1.883 1.00 0.00 O ATOM 0 H SER A 107 -5.251 -0.086 2.325 1.00 0.00 H new ATOM 0 HA SER A 107 -5.394 -2.635 1.119 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.844 -2.412 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.876 -1.930 2.940 1.00 0.00 H new ATOM 0 HG SER A 107 -7.040 0.304 1.725 1.00 0.00 H new ATOM 252 N GLN A 108 -6.445 -0.178 -0.802 1.00 0.00 N ATOM 253 CA GLN A 108 -6.823 0.113 -2.213 1.00 0.00 C ATOM 254 C GLN A 108 -5.771 -0.474 -3.151 1.00 0.00 C ATOM 255 O GLN A 108 -6.089 -1.018 -4.188 1.00 0.00 O ATOM 256 CB GLN A 108 -6.895 1.631 -2.429 1.00 0.00 C ATOM 257 CG GLN A 108 -8.072 2.213 -1.645 1.00 0.00 C ATOM 258 CD GLN A 108 -9.380 1.662 -2.212 1.00 0.00 C ATOM 259 OE1 GLN A 108 -9.616 1.726 -3.403 1.00 0.00 O ATOM 260 NE2 GLN A 108 -10.250 1.121 -1.404 1.00 0.00 N ATOM 0 H GLN A 108 -6.338 0.640 -0.202 1.00 0.00 H new ATOM 0 HA GLN A 108 -7.796 -0.331 -2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -5.965 2.098 -2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.009 1.851 -3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.983 1.956 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -8.064 3.301 -1.710 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -10.053 1.067 -0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -11.127 0.752 -1.772 1.00 0.00 H new ATOM 269 N ALA A 109 -4.524 -0.376 -2.794 1.00 0.00 N ATOM 270 CA ALA A 109 -3.457 -0.933 -3.672 1.00 0.00 C ATOM 271 C ALA A 109 -3.667 -2.439 -3.857 1.00 0.00 C ATOM 272 O ALA A 109 -3.722 -2.942 -4.963 1.00 0.00 O ATOM 273 CB ALA A 109 -2.096 -0.687 -3.020 1.00 0.00 C ATOM 0 H ALA A 109 -4.196 0.064 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.497 -0.445 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.309 -1.092 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.943 0.384 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.064 -1.178 -2.047 1.00 0.00 H new ATOM 279 N ILE A 110 -3.771 -3.160 -2.779 1.00 0.00 N ATOM 280 CA ILE A 110 -3.962 -4.635 -2.869 1.00 0.00 C ATOM 281 C ILE A 110 -5.304 -4.963 -3.533 1.00 0.00 C ATOM 282 O ILE A 110 -5.379 -5.790 -4.420 1.00 0.00 O ATOM 283 CB ILE A 110 -3.914 -5.218 -1.453 1.00 0.00 C ATOM 284 CG1 ILE A 110 -2.521 -4.974 -0.864 1.00 0.00 C ATOM 285 CG2 ILE A 110 -4.196 -6.722 -1.484 1.00 0.00 C ATOM 286 CD1 ILE A 110 -2.479 -5.438 0.596 1.00 0.00 C ATOM 0 H ILE A 110 -3.732 -2.789 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.171 -5.072 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.674 -4.733 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.772 -5.511 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -2.272 -3.914 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.158 -7.120 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.185 -6.898 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.446 -7.220 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.485 -5.260 1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.215 -4.881 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.707 -6.503 0.646 1.00 0.00 H new ATOM 298 N GLU A 111 -6.367 -4.341 -3.108 1.00 0.00 N ATOM 299 CA GLU A 111 -7.691 -4.647 -3.718 1.00 0.00 C ATOM 300 C GLU A 111 -7.687 -4.301 -5.211 1.00 0.00 C ATOM 301 O GLU A 111 -8.417 -4.886 -5.987 1.00 0.00 O ATOM 302 CB GLU A 111 -8.785 -3.867 -2.988 1.00 0.00 C ATOM 303 CG GLU A 111 -8.810 -4.300 -1.520 1.00 0.00 C ATOM 304 CD GLU A 111 -9.949 -3.590 -0.788 1.00 0.00 C ATOM 305 OE1 GLU A 111 -11.077 -3.716 -1.231 1.00 0.00 O ATOM 306 OE2 GLU A 111 -9.674 -2.938 0.207 1.00 0.00 O ATOM 0 H GLU A 111 -6.378 -3.638 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.891 -5.714 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.597 -2.796 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.754 -4.053 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.940 -5.380 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.858 -4.063 -1.046 1.00 0.00 H new ATOM 313 N SER A 112 -6.875 -3.365 -5.631 1.00 0.00 N ATOM 314 CA SER A 112 -6.849 -3.014 -7.082 1.00 0.00 C ATOM 315 C SER A 112 -6.044 -4.069 -7.845 1.00 0.00 C ATOM 316 O SER A 112 -6.180 -4.219 -9.043 1.00 0.00 O ATOM 317 CB SER A 112 -6.194 -1.647 -7.274 1.00 0.00 C ATOM 318 OG SER A 112 -4.782 -1.791 -7.188 1.00 0.00 O ATOM 0 H SER A 112 -6.236 -2.834 -5.040 1.00 0.00 H new ATOM 0 HA SER A 112 -7.870 -2.982 -7.461 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.471 -1.230 -8.242 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.548 -0.950 -6.514 1.00 0.00 H new ATOM 0 HG SER A 112 -4.553 -2.288 -6.375 1.00 0.00 H new ATOM 324 N ALA A 113 -5.208 -4.800 -7.160 1.00 0.00 N ATOM 325 CA ALA A 113 -4.393 -5.843 -7.845 1.00 0.00 C ATOM 326 C ALA A 113 -5.326 -6.927 -8.396 1.00 0.00 C ATOM 327 O ALA A 113 -6.392 -7.162 -7.863 1.00 0.00 O ATOM 328 CB ALA A 113 -3.422 -6.460 -6.833 1.00 0.00 C ATOM 0 H ALA A 113 -5.054 -4.720 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.830 -5.400 -8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.821 -7.225 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.768 -5.684 -6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -3.986 -6.911 -6.016 1.00 0.00 H new ATOM 334 N PRO A 114 -4.932 -7.579 -9.463 1.00 0.00 N ATOM 335 CA PRO A 114 -5.757 -8.646 -10.102 1.00 0.00 C ATOM 336 C PRO A 114 -5.892 -9.885 -9.213 1.00 0.00 C ATOM 337 O PRO A 114 -6.968 -10.423 -9.044 1.00 0.00 O ATOM 338 CB PRO A 114 -4.992 -8.985 -11.388 1.00 0.00 C ATOM 339 CG PRO A 114 -3.583 -8.560 -11.134 1.00 0.00 C ATOM 340 CD PRO A 114 -3.661 -7.371 -10.179 1.00 0.00 C ATOM 0 HA PRO A 114 -6.779 -8.312 -10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -5.047 -10.051 -11.609 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -5.412 -8.460 -12.246 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.004 -9.373 -10.696 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -3.087 -8.280 -12.064 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.814 -7.352 -9.493 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.656 -6.424 -10.718 1.00 0.00 H new ATOM 348 N GLU A 115 -4.809 -10.344 -8.645 1.00 0.00 N ATOM 349 CA GLU A 115 -4.873 -11.550 -7.772 1.00 0.00 C ATOM 350 C GLU A 115 -4.896 -11.118 -6.303 1.00 0.00 C ATOM 351 O GLU A 115 -4.781 -11.928 -5.407 1.00 0.00 O ATOM 352 CB GLU A 115 -3.652 -12.435 -8.038 1.00 0.00 C ATOM 353 CG GLU A 115 -3.718 -12.954 -9.476 1.00 0.00 C ATOM 354 CD GLU A 115 -2.590 -13.958 -9.717 1.00 0.00 C ATOM 355 OE1 GLU A 115 -1.765 -14.120 -8.832 1.00 0.00 O ATOM 356 OE2 GLU A 115 -2.571 -14.551 -10.784 1.00 0.00 O ATOM 0 H GLU A 115 -3.881 -9.934 -8.749 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.780 -12.114 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.734 -11.867 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.632 -13.269 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.683 -13.427 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -3.633 -12.123 -10.176 1.00 0.00 H new ATOM 363 N LYS A 116 -5.050 -9.847 -6.058 1.00 0.00 N ATOM 364 CA LYS A 116 -5.089 -9.349 -4.652 1.00 0.00 C ATOM 365 C LYS A 116 -3.810 -9.757 -3.915 1.00 0.00 C ATOM 366 O LYS A 116 -3.848 -10.376 -2.870 1.00 0.00 O ATOM 367 CB LYS A 116 -6.319 -9.917 -3.940 1.00 0.00 C ATOM 368 CG LYS A 116 -7.580 -9.438 -4.668 1.00 0.00 C ATOM 369 CD LYS A 116 -8.825 -9.787 -3.848 1.00 0.00 C ATOM 370 CE LYS A 116 -10.076 -9.290 -4.579 1.00 0.00 C ATOM 371 NZ LYS A 116 -9.927 -9.530 -6.041 1.00 0.00 N ATOM 0 H LYS A 116 -5.151 -9.127 -6.774 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.154 -8.261 -4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -6.280 -11.006 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.337 -9.590 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.530 -8.361 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.641 -9.904 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.883 -10.865 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.763 -9.330 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.959 -9.807 -4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.223 -8.227 -4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.858 -9.468 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.292 -8.813 -6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.526 -10.477 -6.198 1.00 0.00 H new ATOM 385 N ARG A 117 -2.675 -9.392 -4.451 1.00 0.00 N ATOM 386 CA ARG A 117 -1.378 -9.728 -3.798 1.00 0.00 C ATOM 387 C ARG A 117 -0.318 -8.721 -4.261 1.00 0.00 C ATOM 388 O ARG A 117 -0.113 -8.529 -5.444 1.00 0.00 O ATOM 389 CB ARG A 117 -0.907 -11.130 -4.216 1.00 0.00 C ATOM 390 CG ARG A 117 -1.875 -12.218 -3.736 1.00 0.00 C ATOM 391 CD ARG A 117 -1.198 -13.581 -3.926 1.00 0.00 C ATOM 392 NE ARG A 117 -2.072 -14.680 -3.425 1.00 0.00 N ATOM 393 CZ ARG A 117 -1.810 -15.914 -3.763 1.00 0.00 C ATOM 394 NH1 ARG A 117 -0.822 -16.168 -4.580 1.00 0.00 N ATOM 395 NH2 ARG A 117 -2.527 -16.894 -3.289 1.00 0.00 N ATOM 0 H ARG A 117 -2.592 -8.870 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.514 -9.696 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.817 -11.176 -5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.085 -11.318 -3.806 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.131 -12.064 -2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.806 -12.174 -4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.977 -13.738 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.246 -13.597 -3.395 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.868 -14.470 -2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -0.258 -15.404 -4.952 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -0.615 -17.131 -4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -3.298 -16.699 -2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -2.317 -17.856 -3.557 1.00 0.00 H new ATOM 409 N LEU A 118 0.365 -8.087 -3.344 1.00 0.00 N ATOM 410 CA LEU A 118 1.425 -7.104 -3.735 1.00 0.00 C ATOM 411 C LEU A 118 2.597 -7.219 -2.770 1.00 0.00 C ATOM 412 O LEU A 118 2.449 -7.662 -1.648 1.00 0.00 O ATOM 413 CB LEU A 118 0.890 -5.672 -3.646 1.00 0.00 C ATOM 414 CG LEU A 118 -0.035 -5.360 -4.824 1.00 0.00 C ATOM 415 CD1 LEU A 118 -0.624 -3.957 -4.633 1.00 0.00 C ATOM 416 CD2 LEU A 118 0.761 -5.406 -6.142 1.00 0.00 C ATOM 0 H LEU A 118 0.236 -8.206 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 118 1.733 -7.322 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.349 -5.539 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.723 -4.969 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 118 -0.835 -6.099 -4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.285 -3.723 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.189 -3.923 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.183 -3.226 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.096 -5.183 -6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.562 -4.668 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.189 -6.400 -6.274 1.00 0.00 H new ATOM 428 N THR A 119 3.758 -6.797 -3.189 1.00 0.00 N ATOM 429 CA THR A 119 4.938 -6.853 -2.283 1.00 0.00 C ATOM 430 C THR A 119 5.070 -5.506 -1.574 1.00 0.00 C ATOM 431 O THR A 119 4.377 -4.561 -1.892 1.00 0.00 O ATOM 432 CB THR A 119 6.208 -7.143 -3.093 1.00 0.00 C ATOM 433 OG1 THR A 119 6.282 -6.247 -4.193 1.00 0.00 O ATOM 434 CG2 THR A 119 6.187 -8.592 -3.606 1.00 0.00 C ATOM 0 H THR A 119 3.940 -6.417 -4.118 1.00 0.00 H new ATOM 0 HA THR A 119 4.805 -7.649 -1.550 1.00 0.00 H new ATOM 0 HB THR A 119 7.080 -7.007 -2.453 1.00 0.00 H new ATOM 0 HG1 THR A 119 7.094 -6.430 -4.710 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.093 -8.788 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.138 -9.277 -2.760 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.315 -8.740 -4.243 1.00 0.00 H new ATOM 442 N LEU A 120 5.941 -5.406 -0.613 1.00 0.00 N ATOM 443 CA LEU A 120 6.097 -4.110 0.097 1.00 0.00 C ATOM 444 C LEU A 120 6.510 -3.029 -0.908 1.00 0.00 C ATOM 445 O LEU A 120 6.012 -1.919 -0.884 1.00 0.00 O ATOM 446 CB LEU A 120 7.168 -4.250 1.179 1.00 0.00 C ATOM 447 CG LEU A 120 7.239 -2.960 2.003 1.00 0.00 C ATOM 448 CD1 LEU A 120 5.960 -2.801 2.832 1.00 0.00 C ATOM 449 CD2 LEU A 120 8.449 -3.028 2.938 1.00 0.00 C ATOM 0 H LEU A 120 6.548 -6.160 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 120 5.152 -3.828 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.936 -5.095 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.136 -4.455 0.722 1.00 0.00 H new ATOM 0 HG LEU A 120 7.338 -2.106 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.017 -1.882 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.098 -2.756 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.854 -3.652 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.505 -2.113 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.345 -3.884 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.359 -3.136 2.348 1.00 0.00 H new ATOM 461 N ALA A 121 7.423 -3.347 -1.788 1.00 0.00 N ATOM 462 CA ALA A 121 7.879 -2.348 -2.798 1.00 0.00 C ATOM 463 C ALA A 121 6.695 -1.857 -3.636 1.00 0.00 C ATOM 464 O ALA A 121 6.586 -0.685 -3.938 1.00 0.00 O ATOM 465 CB ALA A 121 8.919 -2.990 -3.720 1.00 0.00 C ATOM 0 H ALA A 121 7.874 -4.260 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 121 8.320 -1.499 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.252 -2.260 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.772 -3.324 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.475 -3.844 -4.230 1.00 0.00 H new ATOM 471 N GLN A 122 5.811 -2.735 -4.028 1.00 0.00 N ATOM 472 CA GLN A 122 4.655 -2.294 -4.855 1.00 0.00 C ATOM 473 C GLN A 122 3.790 -1.325 -4.049 1.00 0.00 C ATOM 474 O GLN A 122 3.193 -0.419 -4.595 1.00 0.00 O ATOM 475 CB GLN A 122 3.830 -3.517 -5.276 1.00 0.00 C ATOM 476 CG GLN A 122 4.586 -4.318 -6.345 1.00 0.00 C ATOM 477 CD GLN A 122 4.881 -3.427 -7.556 1.00 0.00 C ATOM 478 OE1 GLN A 122 4.135 -2.515 -7.855 1.00 0.00 O ATOM 479 NE2 GLN A 122 5.949 -3.655 -8.271 1.00 0.00 N ATOM 0 H GLN A 122 5.840 -3.732 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 122 5.016 -1.786 -5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 122 3.632 -4.148 -4.410 1.00 0.00 H new ATOM 0 HB3 GLN A 122 2.863 -3.197 -5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.518 -4.704 -5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 122 3.993 -5.179 -6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.576 -4.420 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 122 6.157 -3.068 -9.079 1.00 0.00 H new ATOM 488 N ILE A 123 3.718 -1.490 -2.757 1.00 0.00 N ATOM 489 CA ILE A 123 2.893 -0.548 -1.952 1.00 0.00 C ATOM 490 C ILE A 123 3.490 0.864 -2.036 1.00 0.00 C ATOM 491 O ILE A 123 2.794 1.824 -2.304 1.00 0.00 O ATOM 492 CB ILE A 123 2.862 -0.985 -0.484 1.00 0.00 C ATOM 493 CG1 ILE A 123 2.232 -2.380 -0.369 1.00 0.00 C ATOM 494 CG2 ILE A 123 2.032 0.023 0.314 1.00 0.00 C ATOM 495 CD1 ILE A 123 2.211 -2.835 1.097 1.00 0.00 C ATOM 0 H ILE A 123 4.188 -2.226 -2.230 1.00 0.00 H new ATOM 0 HA ILE A 123 1.879 -0.550 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 123 3.878 -1.023 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 123 1.217 -2.362 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 123 2.797 -3.092 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.003 -0.278 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.484 1.012 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.017 0.054 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.762 -3.826 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.230 -2.872 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.626 -2.131 1.688 1.00 0.00 H new ATOM 507 N TYR A 124 4.770 1.007 -1.799 1.00 0.00 N ATOM 508 CA TYR A 124 5.386 2.366 -1.858 1.00 0.00 C ATOM 509 C TYR A 124 5.219 2.967 -3.257 1.00 0.00 C ATOM 510 O TYR A 124 4.744 4.073 -3.412 1.00 0.00 O ATOM 511 CB TYR A 124 6.882 2.281 -1.528 1.00 0.00 C ATOM 512 CG TYR A 124 7.085 1.886 -0.081 1.00 0.00 C ATOM 513 CD1 TYR A 124 6.451 2.600 0.947 1.00 0.00 C ATOM 514 CD2 TYR A 124 7.917 0.803 0.233 1.00 0.00 C ATOM 515 CE1 TYR A 124 6.652 2.230 2.283 1.00 0.00 C ATOM 516 CE2 TYR A 124 8.117 0.436 1.568 1.00 0.00 C ATOM 517 CZ TYR A 124 7.486 1.149 2.593 1.00 0.00 C ATOM 518 OH TYR A 124 7.683 0.784 3.910 1.00 0.00 O ATOM 0 H TYR A 124 5.410 0.247 -1.569 1.00 0.00 H new ATOM 0 HA TYR A 124 4.884 3.001 -1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.363 1.553 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 124 7.358 3.243 -1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.808 3.434 0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 124 8.405 0.251 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.163 2.779 3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 124 8.759 -0.399 1.808 1.00 0.00 H new ATOM 0 HH TYR A 124 7.499 1.550 4.493 1.00 0.00 H new ATOM 528 N GLU A 125 5.616 2.256 -4.278 1.00 0.00 N ATOM 529 CA GLU A 125 5.488 2.806 -5.658 1.00 0.00 C ATOM 530 C GLU A 125 4.020 3.107 -5.967 1.00 0.00 C ATOM 531 O GLU A 125 3.700 4.097 -6.593 1.00 0.00 O ATOM 532 CB GLU A 125 6.030 1.791 -6.672 1.00 0.00 C ATOM 533 CG GLU A 125 7.511 1.523 -6.388 1.00 0.00 C ATOM 534 CD GLU A 125 8.077 0.575 -7.448 1.00 0.00 C ATOM 535 OE1 GLU A 125 7.627 -0.558 -7.502 1.00 0.00 O ATOM 536 OE2 GLU A 125 8.951 0.997 -8.189 1.00 0.00 O ATOM 0 H GLU A 125 6.022 1.322 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 125 6.064 3.729 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.463 0.862 -6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.907 2.173 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.067 2.460 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.628 1.086 -5.396 1.00 0.00 H new ATOM 543 N TRP A 126 3.124 2.258 -5.543 1.00 0.00 N ATOM 544 CA TRP A 126 1.683 2.502 -5.831 1.00 0.00 C ATOM 545 C TRP A 126 1.257 3.844 -5.234 1.00 0.00 C ATOM 546 O TRP A 126 0.605 4.643 -5.878 1.00 0.00 O ATOM 547 CB TRP A 126 0.845 1.377 -5.216 1.00 0.00 C ATOM 548 CG TRP A 126 -0.594 1.552 -5.589 1.00 0.00 C ATOM 549 CD1 TRP A 126 -1.172 1.047 -6.705 1.00 0.00 C ATOM 550 CD2 TRP A 126 -1.643 2.269 -4.874 1.00 0.00 C ATOM 551 NE1 TRP A 126 -2.508 1.408 -6.717 1.00 0.00 N ATOM 552 CE2 TRP A 126 -2.846 2.160 -5.612 1.00 0.00 C ATOM 553 CE3 TRP A 126 -1.669 2.996 -3.670 1.00 0.00 C ATOM 554 CZ2 TRP A 126 -4.031 2.749 -5.171 1.00 0.00 C ATOM 555 CZ3 TRP A 126 -2.861 3.590 -3.224 1.00 0.00 C ATOM 556 CH2 TRP A 126 -4.038 3.468 -3.973 1.00 0.00 C ATOM 0 H TRP A 126 3.326 1.411 -5.013 1.00 0.00 H new ATOM 0 HA TRP A 126 1.528 2.525 -6.910 1.00 0.00 H new ATOM 0 HB2 TRP A 126 1.206 0.410 -5.566 1.00 0.00 H new ATOM 0 HB3 TRP A 126 0.952 1.383 -4.131 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -0.673 0.459 -7.461 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.163 1.149 -7.454 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -0.767 3.098 -3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -4.936 2.650 -5.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -2.870 4.145 -2.297 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -4.950 3.929 -3.625 1.00 0.00 H new ATOM 567 N MET A 127 1.613 4.095 -4.004 1.00 0.00 N ATOM 568 CA MET A 127 1.222 5.385 -3.360 1.00 0.00 C ATOM 569 C MET A 127 1.715 6.569 -4.195 1.00 0.00 C ATOM 570 O MET A 127 0.939 7.416 -4.594 1.00 0.00 O ATOM 571 CB MET A 127 1.826 5.453 -1.957 1.00 0.00 C ATOM 572 CG MET A 127 1.094 4.473 -1.040 1.00 0.00 C ATOM 573 SD MET A 127 -0.568 5.105 -0.693 1.00 0.00 S ATOM 574 CE MET A 127 -1.209 3.641 0.160 1.00 0.00 C ATOM 0 H MET A 127 2.157 3.464 -3.416 1.00 0.00 H new ATOM 0 HA MET A 127 0.135 5.435 -3.294 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.888 5.209 -1.994 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.745 6.466 -1.563 1.00 0.00 H new ATOM 0 HG2 MET A 127 1.031 3.493 -1.512 1.00 0.00 H new ATOM 0 HG3 MET A 127 1.648 4.344 -0.110 1.00 0.00 H new ATOM 0 HE1 MET A 127 -1.970 3.164 -0.458 1.00 0.00 H new ATOM 0 HE2 MET A 127 -0.395 2.939 0.340 1.00 0.00 H new ATOM 0 HE3 MET A 127 -1.649 3.938 1.112 1.00 0.00 H new ATOM 584 N VAL A 128 2.992 6.643 -4.465 1.00 0.00 N ATOM 585 CA VAL A 128 3.509 7.785 -5.275 1.00 0.00 C ATOM 586 C VAL A 128 2.957 7.675 -6.692 1.00 0.00 C ATOM 587 O VAL A 128 2.611 8.659 -7.315 1.00 0.00 O ATOM 588 CB VAL A 128 5.037 7.737 -5.332 1.00 0.00 C ATOM 589 CG1 VAL A 128 5.556 8.934 -6.151 1.00 0.00 C ATOM 590 CG2 VAL A 128 5.613 7.785 -3.909 1.00 0.00 C ATOM 0 H VAL A 128 3.694 5.968 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 128 3.195 8.723 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 128 5.354 6.810 -5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 128 6.645 8.902 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.152 8.885 -7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.239 9.863 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 128 6.701 7.751 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.300 8.708 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 128 5.247 6.931 -3.339 1.00 0.00 H new ATOM 600 N ARG A 129 2.884 6.482 -7.209 1.00 0.00 N ATOM 601 CA ARG A 129 2.365 6.304 -8.590 1.00 0.00 C ATOM 602 C ARG A 129 0.894 6.698 -8.651 1.00 0.00 C ATOM 603 O ARG A 129 0.457 7.357 -9.573 1.00 0.00 O ATOM 604 CB ARG A 129 2.499 4.839 -8.999 1.00 0.00 C ATOM 605 CG ARG A 129 2.092 4.692 -10.465 1.00 0.00 C ATOM 606 CD ARG A 129 2.229 3.233 -10.893 1.00 0.00 C ATOM 607 NE ARG A 129 2.054 3.132 -12.368 1.00 0.00 N ATOM 608 CZ ARG A 129 2.470 2.071 -13.001 1.00 0.00 C ATOM 609 NH1 ARG A 129 3.104 1.133 -12.352 1.00 0.00 N ATOM 610 NH2 ARG A 129 2.269 1.956 -14.284 1.00 0.00 N ATOM 0 H ARG A 129 3.161 5.623 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 129 2.940 6.937 -9.266 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.526 4.501 -8.858 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.868 4.213 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.064 5.026 -10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.719 5.325 -11.092 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.207 2.848 -10.605 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.483 2.622 -10.385 1.00 0.00 H new ATOM 0 HE ARG A 129 1.609 3.892 -12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.273 1.231 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.430 0.302 -12.846 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.786 2.696 -14.793 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.595 1.126 -14.779 1.00 0.00 H new ATOM 624 N THR A 130 0.117 6.296 -7.685 1.00 0.00 N ATOM 625 CA THR A 130 -1.326 6.649 -7.718 1.00 0.00 C ATOM 626 C THR A 130 -1.524 8.038 -7.116 1.00 0.00 C ATOM 627 O THR A 130 -2.146 8.899 -7.704 1.00 0.00 O ATOM 628 CB THR A 130 -2.123 5.621 -6.906 1.00 0.00 C ATOM 629 OG1 THR A 130 -1.547 4.334 -7.084 1.00 0.00 O ATOM 630 CG2 THR A 130 -3.578 5.600 -7.387 1.00 0.00 C ATOM 0 H THR A 130 0.416 5.743 -6.882 1.00 0.00 H new ATOM 0 HA THR A 130 -1.677 6.647 -8.750 1.00 0.00 H new ATOM 0 HB THR A 130 -2.096 5.892 -5.851 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.657 3.810 -6.263 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.142 4.869 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.020 6.587 -7.253 1.00 0.00 H new ATOM 0 HG23 THR A 130 -3.608 5.329 -8.442 1.00 0.00 H new ATOM 638 N VAL A 131 -1.002 8.262 -5.946 1.00 0.00 N ATOM 639 CA VAL A 131 -1.166 9.595 -5.305 1.00 0.00 C ATOM 640 C VAL A 131 0.015 10.500 -5.698 1.00 0.00 C ATOM 641 O VAL A 131 1.151 10.215 -5.369 1.00 0.00 O ATOM 642 CB VAL A 131 -1.196 9.408 -3.789 1.00 0.00 C ATOM 643 CG1 VAL A 131 -1.798 10.650 -3.124 1.00 0.00 C ATOM 644 CG2 VAL A 131 -2.053 8.183 -3.458 1.00 0.00 C ATOM 0 H VAL A 131 -0.469 7.581 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 131 -2.094 10.060 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.182 9.263 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -1.817 10.511 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.192 11.523 -3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.814 10.801 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -2.081 8.040 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.066 8.336 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.623 7.300 -3.930 1.00 0.00 H new ATOM 654 N PRO A 132 -0.243 11.581 -6.398 1.00 0.00 N ATOM 655 CA PRO A 132 0.826 12.528 -6.834 1.00 0.00 C ATOM 656 C PRO A 132 1.329 13.407 -5.683 1.00 0.00 C ATOM 657 O PRO A 132 2.360 14.044 -5.774 1.00 0.00 O ATOM 658 CB PRO A 132 0.141 13.389 -7.897 1.00 0.00 C ATOM 659 CG PRO A 132 -1.317 13.350 -7.565 1.00 0.00 C ATOM 660 CD PRO A 132 -1.576 12.019 -6.853 1.00 0.00 C ATOM 0 HA PRO A 132 1.706 11.999 -7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 132 0.520 14.411 -7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.326 12.998 -8.898 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.590 14.189 -6.926 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.921 13.428 -8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.261 12.144 -6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -2.026 11.289 -7.526 1.00 0.00 H new ATOM 668 N TYR A 133 0.600 13.451 -4.607 1.00 0.00 N ATOM 669 CA TYR A 133 1.013 14.293 -3.450 1.00 0.00 C ATOM 670 C TYR A 133 2.439 13.940 -3.018 1.00 0.00 C ATOM 671 O TYR A 133 3.163 14.773 -2.511 1.00 0.00 O ATOM 672 CB TYR A 133 0.054 14.040 -2.285 1.00 0.00 C ATOM 673 CG TYR A 133 0.320 15.030 -1.176 1.00 0.00 C ATOM 674 CD1 TYR A 133 -0.337 16.265 -1.171 1.00 0.00 C ATOM 675 CD2 TYR A 133 1.217 14.710 -0.151 1.00 0.00 C ATOM 676 CE1 TYR A 133 -0.097 17.181 -0.138 1.00 0.00 C ATOM 677 CE2 TYR A 133 1.459 15.626 0.880 1.00 0.00 C ATOM 678 CZ TYR A 133 0.802 16.862 0.887 1.00 0.00 C ATOM 679 OH TYR A 133 1.037 17.764 1.905 1.00 0.00 O ATOM 0 H TYR A 133 -0.271 12.937 -4.476 1.00 0.00 H new ATOM 0 HA TYR A 133 0.983 15.343 -3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.977 14.131 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 133 0.179 13.023 -1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -1.029 16.512 -1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 133 1.723 13.756 -0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 133 -0.606 18.134 -0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.153 15.379 1.670 1.00 0.00 H new ATOM 0 HH TYR A 133 1.686 17.385 2.534 1.00 0.00 H new ATOM 689 N PHE A 134 2.845 12.715 -3.196 1.00 0.00 N ATOM 690 CA PHE A 134 4.223 12.324 -2.776 1.00 0.00 C ATOM 691 C PHE A 134 5.231 12.619 -3.888 1.00 0.00 C ATOM 692 O PHE A 134 6.420 12.451 -3.711 1.00 0.00 O ATOM 693 CB PHE A 134 4.256 10.827 -2.460 1.00 0.00 C ATOM 694 CG PHE A 134 3.670 10.578 -1.091 1.00 0.00 C ATOM 695 CD1 PHE A 134 4.348 11.027 0.049 1.00 0.00 C ATOM 696 CD2 PHE A 134 2.453 9.896 -0.960 1.00 0.00 C ATOM 697 CE1 PHE A 134 3.811 10.794 1.319 1.00 0.00 C ATOM 698 CE2 PHE A 134 1.914 9.664 0.311 1.00 0.00 C ATOM 699 CZ PHE A 134 2.594 10.113 1.449 1.00 0.00 C ATOM 0 H PHE A 134 2.287 11.969 -3.612 1.00 0.00 H new ATOM 0 HA PHE A 134 4.491 12.902 -1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 134 3.692 10.275 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 134 5.282 10.461 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 134 5.286 11.553 -0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 134 1.931 9.549 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 134 4.334 11.139 2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 134 0.975 9.140 0.413 1.00 0.00 H new ATOM 0 HZ PHE A 134 2.179 9.934 2.430 1.00 0.00 H new ATOM 709 N LYS A 135 4.781 13.048 -5.031 1.00 0.00 N ATOM 710 CA LYS A 135 5.740 13.335 -6.134 1.00 0.00 C ATOM 711 C LYS A 135 6.726 14.416 -5.694 1.00 0.00 C ATOM 712 O LYS A 135 7.892 14.380 -6.029 1.00 0.00 O ATOM 713 CB LYS A 135 4.977 13.816 -7.369 1.00 0.00 C ATOM 714 CG LYS A 135 4.256 12.630 -8.012 1.00 0.00 C ATOM 715 CD LYS A 135 5.262 11.754 -8.771 1.00 0.00 C ATOM 716 CE LYS A 135 4.542 10.974 -9.873 1.00 0.00 C ATOM 717 NZ LYS A 135 5.545 10.233 -10.689 1.00 0.00 N ATOM 0 H LYS A 135 3.798 13.212 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 135 6.287 12.424 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 135 4.257 14.585 -7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.666 14.268 -8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 135 3.753 12.040 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 135 3.486 12.989 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 135 6.045 12.376 -9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 135 5.749 11.063 -8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 135 3.828 10.278 -9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 135 3.974 11.656 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 5.058 9.702 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 6.210 10.908 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 6.068 9.572 -10.080 1.00 0.00 H new ATOM 731 N ASP A 136 6.266 15.377 -4.945 1.00 0.00 N ATOM 732 CA ASP A 136 7.177 16.460 -4.484 1.00 0.00 C ATOM 733 C ASP A 136 8.217 15.879 -3.520 1.00 0.00 C ATOM 734 O ASP A 136 9.375 16.242 -3.550 1.00 0.00 O ATOM 735 CB ASP A 136 6.362 17.533 -3.759 1.00 0.00 C ATOM 736 CG ASP A 136 5.523 18.316 -4.769 1.00 0.00 C ATOM 737 OD1 ASP A 136 5.889 18.328 -5.933 1.00 0.00 O ATOM 738 OD2 ASP A 136 4.526 18.889 -4.362 1.00 0.00 O ATOM 0 H ASP A 136 5.299 15.460 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 136 7.682 16.900 -5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 136 5.714 17.070 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.029 18.209 -3.224 1.00 0.00 H new ATOM 743 N LYS A 137 7.808 14.984 -2.662 1.00 0.00 N ATOM 744 CA LYS A 137 8.766 14.384 -1.690 1.00 0.00 C ATOM 745 C LYS A 137 9.354 13.096 -2.270 1.00 0.00 C ATOM 746 O LYS A 137 10.290 12.535 -1.735 1.00 0.00 O ATOM 747 CB LYS A 137 8.018 14.056 -0.399 1.00 0.00 C ATOM 748 CG LYS A 137 7.276 15.301 0.094 1.00 0.00 C ATOM 749 CD LYS A 137 6.419 14.934 1.306 1.00 0.00 C ATOM 750 CE LYS A 137 5.437 16.069 1.602 1.00 0.00 C ATOM 751 NZ LYS A 137 4.549 16.284 0.424 1.00 0.00 N ATOM 0 H LYS A 137 6.850 14.642 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 137 9.573 15.089 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.312 13.244 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.719 13.712 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 137 7.989 16.081 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.648 15.702 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.875 14.010 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 137 7.055 14.754 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 137 4.839 15.826 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.982 16.985 1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 4.763 17.205 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 4.708 15.529 -0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 3.555 16.268 0.731 1.00 0.00 H new ATOM 765 N GLY A 138 8.807 12.614 -3.353 1.00 0.00 N ATOM 766 CA GLY A 138 9.325 11.353 -3.959 1.00 0.00 C ATOM 767 C GLY A 138 10.730 11.572 -4.520 1.00 0.00 C ATOM 768 O GLY A 138 11.605 10.743 -4.366 1.00 0.00 O ATOM 0 H GLY A 138 8.022 13.040 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.345 10.562 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 138 8.656 11.022 -4.754 1.00 0.00 H new ATOM 772 N ASP A 139 10.958 12.678 -5.172 1.00 0.00 N ATOM 773 CA ASP A 139 12.308 12.936 -5.740 1.00 0.00 C ATOM 774 C ASP A 139 13.248 13.353 -4.611 1.00 0.00 C ATOM 775 O ASP A 139 14.388 13.711 -4.834 1.00 0.00 O ATOM 776 CB ASP A 139 12.217 14.049 -6.782 1.00 0.00 C ATOM 777 CG ASP A 139 11.268 13.617 -7.899 1.00 0.00 C ATOM 778 OD1 ASP A 139 11.124 12.421 -8.098 1.00 0.00 O ATOM 779 OD2 ASP A 139 10.698 14.486 -8.536 1.00 0.00 O ATOM 0 H ASP A 139 10.269 13.412 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 139 12.691 12.034 -6.218 1.00 0.00 H new ATOM 0 HB2 ASP A 139 11.858 14.968 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 139 13.205 14.263 -7.190 1.00 0.00 H new ATOM 784 N SER A 140 12.771 13.301 -3.395 1.00 0.00 N ATOM 785 CA SER A 140 13.619 13.681 -2.229 1.00 0.00 C ATOM 786 C SER A 140 13.736 12.476 -1.294 1.00 0.00 C ATOM 787 O SER A 140 12.810 11.705 -1.142 1.00 0.00 O ATOM 788 CB SER A 140 12.969 14.850 -1.486 1.00 0.00 C ATOM 789 OG SER A 140 13.867 15.334 -0.494 1.00 0.00 O ATOM 0 H SER A 140 11.823 13.009 -3.159 1.00 0.00 H new ATOM 0 HA SER A 140 14.610 13.982 -2.569 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.719 15.647 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 140 12.036 14.528 -1.023 1.00 0.00 H new ATOM 0 HG SER A 140 13.454 16.084 -0.017 1.00 0.00 H new ATOM 795 N ASN A 141 14.870 12.300 -0.675 1.00 0.00 N ATOM 796 CA ASN A 141 15.051 11.137 0.243 1.00 0.00 C ATOM 797 C ASN A 141 14.131 11.279 1.459 1.00 0.00 C ATOM 798 O ASN A 141 13.975 10.362 2.241 1.00 0.00 O ATOM 799 CB ASN A 141 16.506 11.084 0.710 1.00 0.00 C ATOM 800 CG ASN A 141 16.791 12.269 1.635 1.00 0.00 C ATOM 801 OD1 ASN A 141 16.162 13.303 1.526 1.00 0.00 O ATOM 802 ND2 ASN A 141 17.718 12.162 2.550 1.00 0.00 N ATOM 0 H ASN A 141 15.682 12.911 -0.764 1.00 0.00 H new ATOM 0 HA ASN A 141 14.799 10.219 -0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 141 16.697 10.147 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 141 17.176 11.111 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 141 17.913 12.946 3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 141 18.246 11.294 2.642 1.00 0.00 H new ATOM 809 N SER A 142 13.524 12.421 1.630 1.00 0.00 N ATOM 810 CA SER A 142 12.619 12.614 2.799 1.00 0.00 C ATOM 811 C SER A 142 11.472 11.602 2.734 1.00 0.00 C ATOM 812 O SER A 142 10.704 11.460 3.664 1.00 0.00 O ATOM 813 CB SER A 142 12.054 14.035 2.780 1.00 0.00 C ATOM 814 OG SER A 142 13.077 14.951 3.151 1.00 0.00 O ATOM 0 H SER A 142 13.615 13.228 1.012 1.00 0.00 H new ATOM 0 HA SER A 142 13.181 12.462 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 142 11.677 14.276 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 142 11.212 14.114 3.468 1.00 0.00 H new ATOM 0 HG SER A 142 12.719 15.863 3.138 1.00 0.00 H new ATOM 820 N SER A 143 11.348 10.896 1.642 1.00 0.00 N ATOM 821 CA SER A 143 10.249 9.896 1.528 1.00 0.00 C ATOM 822 C SER A 143 10.491 8.761 2.526 1.00 0.00 C ATOM 823 O SER A 143 9.569 8.122 2.990 1.00 0.00 O ATOM 824 CB SER A 143 10.215 9.329 0.106 1.00 0.00 C ATOM 825 OG SER A 143 11.010 8.153 0.050 1.00 0.00 O ATOM 0 H SER A 143 11.958 10.968 0.828 1.00 0.00 H new ATOM 0 HA SER A 143 9.296 10.377 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 143 9.189 9.102 -0.183 1.00 0.00 H new ATOM 0 HB3 SER A 143 10.589 10.069 -0.602 1.00 0.00 H new ATOM 0 HG SER A 143 10.989 7.787 -0.859 1.00 0.00 H new ATOM 831 N ALA A 144 11.726 8.507 2.862 1.00 0.00 N ATOM 832 CA ALA A 144 12.022 7.414 3.832 1.00 0.00 C ATOM 833 C ALA A 144 11.237 7.668 5.123 1.00 0.00 C ATOM 834 O ALA A 144 10.828 6.751 5.807 1.00 0.00 O ATOM 835 CB ALA A 144 13.523 7.408 4.137 1.00 0.00 C ATOM 0 H ALA A 144 12.541 9.007 2.508 1.00 0.00 H new ATOM 0 HA ALA A 144 11.732 6.451 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 144 13.747 6.611 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.081 7.241 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 144 13.811 8.367 4.567 1.00 0.00 H new ATOM 841 N GLY A 145 11.033 8.910 5.456 1.00 0.00 N ATOM 842 CA GLY A 145 10.284 9.243 6.703 1.00 0.00 C ATOM 843 C GLY A 145 8.919 8.547 6.726 1.00 0.00 C ATOM 844 O GLY A 145 8.744 7.533 7.370 1.00 0.00 O ATOM 0 H GLY A 145 11.353 9.715 4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 145 10.866 8.939 7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 145 10.147 10.322 6.772 1.00 0.00 H new ATOM 848 N TRP A 146 7.945 9.093 6.050 1.00 0.00 N ATOM 849 CA TRP A 146 6.582 8.477 6.056 1.00 0.00 C ATOM 850 C TRP A 146 6.646 7.001 5.647 1.00 0.00 C ATOM 851 O TRP A 146 5.816 6.208 6.041 1.00 0.00 O ATOM 852 CB TRP A 146 5.666 9.234 5.090 1.00 0.00 C ATOM 853 CG TRP A 146 6.092 8.989 3.676 1.00 0.00 C ATOM 854 CD1 TRP A 146 7.208 9.490 3.103 1.00 0.00 C ATOM 855 CD2 TRP A 146 5.421 8.204 2.649 1.00 0.00 C ATOM 856 NE1 TRP A 146 7.267 9.058 1.790 1.00 0.00 N ATOM 857 CE2 TRP A 146 6.189 8.262 1.463 1.00 0.00 C ATOM 858 CE3 TRP A 146 4.232 7.449 2.634 1.00 0.00 C ATOM 859 CZ2 TRP A 146 5.793 7.600 0.302 1.00 0.00 C ATOM 860 CZ3 TRP A 146 3.831 6.781 1.463 1.00 0.00 C ATOM 861 CH2 TRP A 146 4.612 6.856 0.301 1.00 0.00 C ATOM 0 H TRP A 146 8.032 9.942 5.491 1.00 0.00 H new ATOM 0 HA TRP A 146 6.183 8.541 7.069 1.00 0.00 H new ATOM 0 HB2 TRP A 146 4.634 8.912 5.228 1.00 0.00 H new ATOM 0 HB3 TRP A 146 5.698 10.302 5.308 1.00 0.00 H new ATOM 0 HD1 TRP A 146 7.935 10.124 3.590 1.00 0.00 H new ATOM 0 HE1 TRP A 146 8.017 9.299 1.142 1.00 0.00 H new ATOM 0 HE3 TRP A 146 3.626 7.383 3.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 6.396 7.662 -0.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 2.916 6.207 1.459 1.00 0.00 H new ATOM 0 HH2 TRP A 146 4.300 6.339 -0.594 1.00 0.00 H new ATOM 872 N LYS A 147 7.605 6.624 4.849 1.00 0.00 N ATOM 873 CA LYS A 147 7.684 5.197 4.418 1.00 0.00 C ATOM 874 C LYS A 147 7.828 4.278 5.634 1.00 0.00 C ATOM 875 O LYS A 147 7.125 3.297 5.762 1.00 0.00 O ATOM 876 CB LYS A 147 8.888 5.010 3.497 1.00 0.00 C ATOM 877 CG LYS A 147 8.491 5.370 2.061 1.00 0.00 C ATOM 878 CD LYS A 147 9.706 5.240 1.133 1.00 0.00 C ATOM 879 CE LYS A 147 10.139 3.769 1.012 1.00 0.00 C ATOM 880 NZ LYS A 147 11.572 3.648 1.408 1.00 0.00 N ATOM 0 H LYS A 147 8.333 7.235 4.478 1.00 0.00 H new ATOM 0 HA LYS A 147 6.767 4.939 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 147 9.714 5.641 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.237 3.978 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 147 7.691 4.713 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 147 8.104 6.388 2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 147 9.461 5.635 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 147 10.532 5.837 1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 147 9.518 3.141 1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.001 3.419 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 11.872 2.655 1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 12.156 4.237 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 11.689 3.967 2.391 1.00 0.00 H new ATOM 894 N ASN A 148 8.736 4.571 6.524 1.00 0.00 N ATOM 895 CA ASN A 148 8.907 3.690 7.712 1.00 0.00 C ATOM 896 C ASN A 148 7.569 3.576 8.448 1.00 0.00 C ATOM 897 O ASN A 148 7.261 2.566 9.047 1.00 0.00 O ATOM 898 CB ASN A 148 9.981 4.278 8.643 1.00 0.00 C ATOM 899 CG ASN A 148 9.393 5.421 9.483 1.00 0.00 C ATOM 900 OD1 ASN A 148 8.411 6.028 9.110 1.00 0.00 O ATOM 901 ND2 ASN A 148 9.965 5.745 10.610 1.00 0.00 N ATOM 0 H ASN A 148 9.362 5.375 6.481 1.00 0.00 H new ATOM 0 HA ASN A 148 9.227 2.698 7.394 1.00 0.00 H new ATOM 0 HB2 ASN A 148 10.369 3.499 9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 148 10.821 4.646 8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 148 9.586 6.506 11.174 1.00 0.00 H new ATOM 0 HD22 ASN A 148 10.791 5.237 10.927 1.00 0.00 H new ATOM 908 N SER A 149 6.774 4.613 8.402 1.00 0.00 N ATOM 909 CA SER A 149 5.454 4.582 9.090 1.00 0.00 C ATOM 910 C SER A 149 4.601 3.439 8.536 1.00 0.00 C ATOM 911 O SER A 149 4.066 2.633 9.272 1.00 0.00 O ATOM 912 CB SER A 149 4.731 5.905 8.845 1.00 0.00 C ATOM 913 OG SER A 149 3.983 5.812 7.639 1.00 0.00 O ATOM 0 H SER A 149 6.986 5.484 7.914 1.00 0.00 H new ATOM 0 HA SER A 149 5.610 4.430 10.158 1.00 0.00 H new ATOM 0 HB2 SER A 149 4.069 6.132 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 149 5.452 6.720 8.778 1.00 0.00 H new ATOM 0 HG SER A 149 4.460 6.279 6.921 1.00 0.00 H new ATOM 919 N ILE A 150 4.459 3.371 7.241 1.00 0.00 N ATOM 920 CA ILE A 150 3.628 2.285 6.643 1.00 0.00 C ATOM 921 C ILE A 150 4.192 0.929 7.063 1.00 0.00 C ATOM 922 O ILE A 150 3.465 0.043 7.468 1.00 0.00 O ATOM 923 CB ILE A 150 3.653 2.392 5.114 1.00 0.00 C ATOM 924 CG1 ILE A 150 2.896 3.654 4.682 1.00 0.00 C ATOM 925 CG2 ILE A 150 2.996 1.144 4.504 1.00 0.00 C ATOM 926 CD1 ILE A 150 2.950 3.805 3.156 1.00 0.00 C ATOM 0 H ILE A 150 4.880 4.017 6.573 1.00 0.00 H new ATOM 0 HA ILE A 150 2.601 2.383 6.994 1.00 0.00 H new ATOM 0 HB ILE A 150 4.683 2.457 4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 150 1.859 3.597 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 150 3.334 4.531 5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 150 3.013 1.219 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 150 3.545 0.255 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 150 1.964 1.072 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.410 4.704 2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 150 3.989 3.884 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 150 2.490 2.935 2.688 1.00 0.00 H new ATOM 938 N ARG A 151 5.479 0.760 6.977 1.00 0.00 N ATOM 939 CA ARG A 151 6.081 -0.538 7.378 1.00 0.00 C ATOM 940 C ARG A 151 5.593 -0.913 8.778 1.00 0.00 C ATOM 941 O ARG A 151 5.215 -2.037 9.035 1.00 0.00 O ATOM 942 CB ARG A 151 7.604 -0.402 7.387 1.00 0.00 C ATOM 943 CG ARG A 151 8.233 -1.766 7.665 1.00 0.00 C ATOM 944 CD ARG A 151 9.748 -1.680 7.497 1.00 0.00 C ATOM 945 NE ARG A 151 10.311 -3.059 7.517 1.00 0.00 N ATOM 946 CZ ARG A 151 11.540 -3.271 7.141 1.00 0.00 C ATOM 947 NH1 ARG A 151 12.300 -2.269 6.794 1.00 0.00 N ATOM 948 NH2 ARG A 151 12.008 -4.489 7.120 1.00 0.00 N ATOM 0 H ARG A 151 6.140 1.464 6.647 1.00 0.00 H new ATOM 0 HA ARG A 151 5.787 -1.315 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 151 7.952 -0.017 6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 151 7.912 0.315 8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 151 7.988 -2.091 8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 151 7.824 -2.511 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 151 9.996 -1.184 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 151 10.183 -1.083 8.298 1.00 0.00 H new ATOM 0 HE ARG A 151 9.732 -3.840 7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 151 11.932 -1.318 6.817 1.00 0.00 H new ATOM 0 HH12 ARG A 151 13.262 -2.437 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 151 11.412 -5.269 7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 151 12.970 -4.661 6.826 1.00 0.00 H new ATOM 962 N HIS A 152 5.601 0.027 9.686 1.00 0.00 N ATOM 963 CA HIS A 152 5.142 -0.261 11.073 1.00 0.00 C ATOM 964 C HIS A 152 3.651 -0.616 11.065 1.00 0.00 C ATOM 965 O HIS A 152 3.189 -1.417 11.853 1.00 0.00 O ATOM 966 CB HIS A 152 5.371 0.982 11.936 1.00 0.00 C ATOM 967 CG HIS A 152 4.991 0.694 13.360 1.00 0.00 C ATOM 968 ND1 HIS A 152 5.845 0.039 14.238 1.00 0.00 N ATOM 969 CD2 HIS A 152 3.860 0.983 14.081 1.00 0.00 C ATOM 970 CE1 HIS A 152 5.220 -0.041 15.426 1.00 0.00 C ATOM 971 NE2 HIS A 152 4.009 0.518 15.382 1.00 0.00 N ATOM 0 H HIS A 152 5.908 0.986 9.524 1.00 0.00 H new ATOM 0 HA HIS A 152 5.702 -1.103 11.479 1.00 0.00 H new ATOM 0 HB2 HIS A 152 6.417 1.284 11.884 1.00 0.00 H new ATOM 0 HB3 HIS A 152 4.780 1.814 11.554 1.00 0.00 H new ATOM 0 HD1 HIS A 152 6.776 -0.316 14.021 1.00 0.00 H new ATOM 0 HD2 HIS A 152 2.989 1.493 13.697 1.00 0.00 H new ATOM 0 HE1 HIS A 152 5.645 -0.500 16.306 1.00 0.00 H new ATOM 980 N ASN A 153 2.894 -0.021 10.183 1.00 0.00 N ATOM 981 CA ASN A 153 1.433 -0.315 10.129 1.00 0.00 C ATOM 982 C ASN A 153 1.202 -1.737 9.617 1.00 0.00 C ATOM 983 O ASN A 153 0.312 -2.428 10.068 1.00 0.00 O ATOM 984 CB ASN A 153 0.753 0.691 9.198 1.00 0.00 C ATOM 985 CG ASN A 153 0.763 2.075 9.858 1.00 0.00 C ATOM 986 OD1 ASN A 153 -0.073 2.372 10.688 1.00 0.00 O ATOM 987 ND2 ASN A 153 1.683 2.942 9.526 1.00 0.00 N ATOM 0 H ASN A 153 3.225 0.657 9.497 1.00 0.00 H new ATOM 0 HA ASN A 153 1.009 -0.232 11.130 1.00 0.00 H new ATOM 0 HB2 ASN A 153 1.273 0.728 8.241 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -0.271 0.380 8.993 1.00 0.00 H new ATOM 0 HD21 ASN A 153 1.697 3.863 9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 153 2.387 2.697 8.830 1.00 0.00 H new ATOM 994 N LEU A 154 1.995 -2.185 8.685 1.00 0.00 N ATOM 995 CA LEU A 154 1.809 -3.567 8.163 1.00 0.00 C ATOM 996 C LEU A 154 1.942 -4.575 9.305 1.00 0.00 C ATOM 997 O LEU A 154 1.326 -5.623 9.293 1.00 0.00 O ATOM 998 CB LEU A 154 2.865 -3.866 7.098 1.00 0.00 C ATOM 999 CG LEU A 154 2.725 -2.881 5.934 1.00 0.00 C ATOM 1000 CD1 LEU A 154 3.769 -3.212 4.867 1.00 0.00 C ATOM 1001 CD2 LEU A 154 1.323 -2.990 5.324 1.00 0.00 C ATOM 0 H LEU A 154 2.760 -1.658 8.264 1.00 0.00 H new ATOM 0 HA LEU A 154 0.816 -3.648 7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.862 -3.791 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 154 2.750 -4.888 6.737 1.00 0.00 H new ATOM 0 HG LEU A 154 2.878 -1.866 6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 154 3.674 -2.513 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 154 4.767 -3.130 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 154 3.611 -4.229 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 154 1.231 -2.286 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.163 -4.004 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.577 -2.757 6.083 1.00 0.00 H new ATOM 1013 N SER A 155 2.741 -4.273 10.290 1.00 0.00 N ATOM 1014 CA SER A 155 2.911 -5.227 11.420 1.00 0.00 C ATOM 1015 C SER A 155 1.677 -5.173 12.325 1.00 0.00 C ATOM 1016 O SER A 155 1.146 -6.190 12.723 1.00 0.00 O ATOM 1017 CB SER A 155 4.156 -4.852 12.223 1.00 0.00 C ATOM 1018 OG SER A 155 3.860 -3.744 13.064 1.00 0.00 O ATOM 0 H SER A 155 3.281 -3.411 10.361 1.00 0.00 H new ATOM 0 HA SER A 155 3.027 -6.238 11.028 1.00 0.00 H new ATOM 0 HB2 SER A 155 4.484 -5.701 12.823 1.00 0.00 H new ATOM 0 HB3 SER A 155 4.975 -4.602 11.549 1.00 0.00 H new ATOM 0 HG SER A 155 3.619 -2.970 12.513 1.00 0.00 H new ATOM 1024 N LEU A 156 1.210 -3.999 12.647 1.00 0.00 N ATOM 1025 CA LEU A 156 0.003 -3.896 13.516 1.00 0.00 C ATOM 1026 C LEU A 156 -1.247 -4.144 12.669 1.00 0.00 C ATOM 1027 O LEU A 156 -1.190 -4.146 11.456 1.00 0.00 O ATOM 1028 CB LEU A 156 -0.084 -2.495 14.125 1.00 0.00 C ATOM 1029 CG LEU A 156 1.206 -2.163 14.879 1.00 0.00 C ATOM 1030 CD1 LEU A 156 1.092 -0.756 15.469 1.00 0.00 C ATOM 1031 CD2 LEU A 156 1.423 -3.175 16.011 1.00 0.00 C ATOM 0 H LEU A 156 1.609 -3.109 12.348 1.00 0.00 H new ATOM 0 HA LEU A 156 0.072 -4.635 14.314 1.00 0.00 H new ATOM 0 HB2 LEU A 156 -0.254 -1.759 13.339 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -0.935 -2.438 14.804 1.00 0.00 H new ATOM 0 HG LEU A 156 2.051 -2.210 14.192 1.00 0.00 H new ATOM 0 HD11 LEU A 156 2.008 -0.512 16.008 1.00 0.00 H new ATOM 0 HD12 LEU A 156 0.941 -0.035 14.665 1.00 0.00 H new ATOM 0 HD13 LEU A 156 0.246 -0.717 16.155 1.00 0.00 H new ATOM 0 HD21 LEU A 156 2.343 -2.933 16.544 1.00 0.00 H new ATOM 0 HD22 LEU A 156 0.581 -3.133 16.702 1.00 0.00 H new ATOM 0 HD23 LEU A 156 1.499 -4.178 15.592 1.00 0.00 H new ATOM 1043 N HIS A 157 -2.373 -4.334 13.304 1.00 0.00 N ATOM 1044 CA HIS A 157 -3.641 -4.560 12.550 1.00 0.00 C ATOM 1045 C HIS A 157 -3.602 -5.905 11.823 1.00 0.00 C ATOM 1046 O HIS A 157 -3.094 -6.017 10.725 1.00 0.00 O ATOM 1047 CB HIS A 157 -3.842 -3.429 11.538 1.00 0.00 C ATOM 1048 CG HIS A 157 -3.707 -2.112 12.247 1.00 0.00 C ATOM 1049 ND1 HIS A 157 -4.624 -1.692 13.198 1.00 0.00 N ATOM 1050 CD2 HIS A 157 -2.765 -1.116 12.166 1.00 0.00 C ATOM 1051 CE1 HIS A 157 -4.218 -0.492 13.652 1.00 0.00 C ATOM 1052 NE2 HIS A 157 -3.092 -0.096 13.055 1.00 0.00 N ATOM 0 H HIS A 157 -2.469 -4.342 14.319 1.00 0.00 H new ATOM 0 HA HIS A 157 -4.472 -4.572 13.255 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -3.105 -3.504 10.738 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -4.825 -3.508 11.074 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -1.904 -1.123 11.514 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -4.739 0.080 14.406 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -2.579 0.771 13.216 1.00 0.00 H new ATOM 1061 N SER A 158 -4.154 -6.924 12.426 1.00 0.00 N ATOM 1062 CA SER A 158 -4.172 -8.263 11.771 1.00 0.00 C ATOM 1063 C SER A 158 -4.731 -8.114 10.358 1.00 0.00 C ATOM 1064 O SER A 158 -4.667 -9.020 9.551 1.00 0.00 O ATOM 1065 CB SER A 158 -5.058 -9.209 12.582 1.00 0.00 C ATOM 1066 OG SER A 158 -4.497 -9.382 13.876 1.00 0.00 O ATOM 0 H SER A 158 -4.594 -6.886 13.346 1.00 0.00 H new ATOM 0 HA SER A 158 -3.162 -8.671 11.723 1.00 0.00 H new ATOM 0 HB2 SER A 158 -6.066 -8.803 12.661 1.00 0.00 H new ATOM 0 HB3 SER A 158 -5.141 -10.171 12.077 1.00 0.00 H new ATOM 0 HG SER A 158 -5.063 -9.987 14.400 1.00 0.00 H new ATOM 1072 N LYS A 159 -5.277 -6.968 10.055 1.00 0.00 N ATOM 1073 CA LYS A 159 -5.841 -6.731 8.700 1.00 0.00 C ATOM 1074 C LYS A 159 -4.807 -7.136 7.649 1.00 0.00 C ATOM 1075 O LYS A 159 -5.131 -7.725 6.637 1.00 0.00 O ATOM 1076 CB LYS A 159 -6.154 -5.238 8.562 1.00 0.00 C ATOM 1077 CG LYS A 159 -6.886 -4.961 7.247 1.00 0.00 C ATOM 1078 CD LYS A 159 -7.043 -3.447 7.077 1.00 0.00 C ATOM 1079 CE LYS A 159 -8.117 -3.149 6.031 1.00 0.00 C ATOM 1080 NZ LYS A 159 -9.462 -3.394 6.622 1.00 0.00 N ATOM 0 H LYS A 159 -5.356 -6.179 10.697 1.00 0.00 H new ATOM 0 HA LYS A 159 -6.748 -7.318 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -6.767 -4.910 9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -5.229 -4.662 8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -6.327 -5.379 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -7.863 -5.443 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -7.314 -2.992 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -6.094 -3.006 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -8.037 -2.115 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -7.972 -3.780 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -10.182 -2.889 6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -9.667 -4.414 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -9.478 -3.051 7.604 1.00 0.00 H new ATOM 1094 N PHE A 160 -3.563 -6.824 7.887 1.00 0.00 N ATOM 1095 CA PHE A 160 -2.500 -7.188 6.911 1.00 0.00 C ATOM 1096 C PHE A 160 -1.876 -8.526 7.315 1.00 0.00 C ATOM 1097 O PHE A 160 -1.232 -8.631 8.340 1.00 0.00 O ATOM 1098 CB PHE A 160 -1.418 -6.100 6.918 1.00 0.00 C ATOM 1099 CG PHE A 160 -2.008 -4.788 6.447 1.00 0.00 C ATOM 1100 CD1 PHE A 160 -2.547 -4.691 5.159 1.00 0.00 C ATOM 1101 CD2 PHE A 160 -2.017 -3.670 7.295 1.00 0.00 C ATOM 1102 CE1 PHE A 160 -3.096 -3.481 4.716 1.00 0.00 C ATOM 1103 CE2 PHE A 160 -2.567 -2.460 6.850 1.00 0.00 C ATOM 1104 CZ PHE A 160 -3.106 -2.366 5.561 1.00 0.00 C ATOM 0 H PHE A 160 -3.237 -6.331 8.718 1.00 0.00 H new ATOM 0 HA PHE A 160 -2.930 -7.274 5.913 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -1.010 -5.986 7.922 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -0.592 -6.392 6.270 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -2.540 -5.551 4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -1.601 -3.742 8.289 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -3.512 -3.409 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -2.575 -1.599 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 160 -3.529 -1.433 5.219 1.00 0.00 H new ATOM 1114 N ILE A 161 -2.053 -9.551 6.517 1.00 0.00 N ATOM 1115 CA ILE A 161 -1.457 -10.876 6.865 1.00 0.00 C ATOM 1116 C ILE A 161 -0.134 -11.042 6.114 1.00 0.00 C ATOM 1117 O ILE A 161 0.005 -10.621 4.982 1.00 0.00 O ATOM 1118 CB ILE A 161 -2.430 -12.005 6.499 1.00 0.00 C ATOM 1119 CG1 ILE A 161 -2.465 -12.230 4.986 1.00 0.00 C ATOM 1120 CG2 ILE A 161 -3.833 -11.627 6.966 1.00 0.00 C ATOM 1121 CD1 ILE A 161 -3.444 -13.364 4.675 1.00 0.00 C ATOM 0 H ILE A 161 -2.581 -9.527 5.645 1.00 0.00 H new ATOM 0 HA ILE A 161 -1.269 -10.924 7.938 1.00 0.00 H new ATOM 0 HB ILE A 161 -2.093 -12.920 6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -2.772 -11.317 4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.470 -12.480 4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.529 -12.425 6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.830 -11.482 8.046 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.143 -10.704 6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -3.476 -13.532 3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -3.116 -14.275 5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -4.439 -13.094 5.030 1.00 0.00 H new ATOM 1133 N LYS A 162 0.843 -11.631 6.745 1.00 0.00 N ATOM 1134 CA LYS A 162 2.172 -11.805 6.085 1.00 0.00 C ATOM 1135 C LYS A 162 2.172 -13.046 5.187 1.00 0.00 C ATOM 1136 O LYS A 162 1.574 -14.054 5.501 1.00 0.00 O ATOM 1137 CB LYS A 162 3.244 -11.968 7.167 1.00 0.00 C ATOM 1138 CG LYS A 162 4.633 -12.051 6.523 1.00 0.00 C ATOM 1139 CD LYS A 162 5.021 -10.688 5.943 1.00 0.00 C ATOM 1140 CE LYS A 162 6.528 -10.653 5.693 1.00 0.00 C ATOM 1141 NZ LYS A 162 7.247 -10.587 6.996 1.00 0.00 N ATOM 0 H LYS A 162 0.780 -12.002 7.693 1.00 0.00 H new ATOM 0 HA LYS A 162 2.380 -10.929 5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 162 3.205 -11.126 7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 162 3.050 -12.869 7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 162 5.369 -12.363 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 162 4.634 -12.805 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 162 4.483 -10.510 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 162 4.737 -9.893 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 162 6.836 -11.540 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 162 6.786 -9.790 5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 8.173 -10.135 6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 6.687 -10.031 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 7.383 -11.549 7.367 1.00 0.00 H new ATOM 1155 N VAL A 163 2.860 -12.975 4.073 1.00 0.00 N ATOM 1156 CA VAL A 163 2.933 -14.147 3.146 1.00 0.00 C ATOM 1157 C VAL A 163 4.382 -14.643 3.083 1.00 0.00 C ATOM 1158 O VAL A 163 5.280 -13.916 2.705 1.00 0.00 O ATOM 1159 CB VAL A 163 2.497 -13.713 1.748 1.00 0.00 C ATOM 1160 CG1 VAL A 163 2.425 -14.934 0.818 1.00 0.00 C ATOM 1161 CG2 VAL A 163 1.123 -13.042 1.823 1.00 0.00 C ATOM 0 H VAL A 163 3.377 -12.151 3.765 1.00 0.00 H new ATOM 0 HA VAL A 163 2.280 -14.942 3.506 1.00 0.00 H new ATOM 0 HB VAL A 163 3.225 -13.005 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 163 2.113 -14.616 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 163 3.407 -15.404 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 163 1.704 -15.650 1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.814 -12.733 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.396 -13.746 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 163 1.180 -12.168 2.472 1.00 0.00 H new ATOM 1171 N HIS A 164 4.626 -15.871 3.452 1.00 0.00 N ATOM 1172 CA HIS A 164 6.024 -16.394 3.415 1.00 0.00 C ATOM 1173 C HIS A 164 6.393 -16.862 1.999 1.00 0.00 C ATOM 1174 O HIS A 164 6.143 -17.989 1.621 1.00 0.00 O ATOM 1175 CB HIS A 164 6.157 -17.563 4.394 1.00 0.00 C ATOM 1176 CG HIS A 164 7.453 -18.284 4.143 1.00 0.00 C ATOM 1177 ND1 HIS A 164 8.630 -17.609 3.848 1.00 0.00 N ATOM 1178 CD2 HIS A 164 7.770 -19.619 4.123 1.00 0.00 C ATOM 1179 CE1 HIS A 164 9.592 -18.532 3.664 1.00 0.00 C ATOM 1180 NE2 HIS A 164 9.119 -19.770 3.821 1.00 0.00 N ATOM 0 H HIS A 164 3.922 -16.534 3.777 1.00 0.00 H new ATOM 0 HA HIS A 164 6.704 -15.592 3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 164 6.125 -17.197 5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 164 5.318 -18.249 4.274 1.00 0.00 H new ATOM 0 HD2 HIS A 164 7.079 -20.427 4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 164 10.618 -18.300 3.420 1.00 0.00 H new ATOM 0 HE2 HIS A 164 9.638 -20.644 3.737 1.00 0.00 H new ATOM 1189 N ASN A 165 7.005 -16.011 1.222 1.00 0.00 N ATOM 1190 CA ASN A 165 7.411 -16.411 -0.158 1.00 0.00 C ATOM 1191 C ASN A 165 8.578 -17.401 -0.085 1.00 0.00 C ATOM 1192 O ASN A 165 9.544 -17.178 0.618 1.00 0.00 O ATOM 1193 CB ASN A 165 7.860 -15.175 -0.937 1.00 0.00 C ATOM 1194 CG ASN A 165 8.016 -15.528 -2.417 1.00 0.00 C ATOM 1195 OD1 ASN A 165 7.873 -16.672 -2.802 1.00 0.00 O ATOM 1196 ND2 ASN A 165 8.305 -14.587 -3.269 1.00 0.00 N ATOM 0 H ASN A 165 7.242 -15.054 1.482 1.00 0.00 H new ATOM 0 HA ASN A 165 6.562 -16.877 -0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 165 7.130 -14.374 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 165 8.805 -14.806 -0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 165 8.411 -14.810 -4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 165 8.425 -13.627 -2.947 1.00 0.00 H new ATOM 1203 N GLU A 166 8.521 -18.479 -0.820 1.00 0.00 N ATOM 1204 CA GLU A 166 9.653 -19.444 -0.787 1.00 0.00 C ATOM 1205 C GLU A 166 10.863 -18.766 -1.430 1.00 0.00 C ATOM 1206 O GLU A 166 11.984 -18.909 -0.984 1.00 0.00 O ATOM 1207 CB GLU A 166 9.277 -20.699 -1.578 1.00 0.00 C ATOM 1208 CG GLU A 166 8.040 -21.339 -0.947 1.00 0.00 C ATOM 1209 CD GLU A 166 7.636 -22.578 -1.745 1.00 0.00 C ATOM 1210 OE1 GLU A 166 8.264 -23.607 -1.562 1.00 0.00 O ATOM 1211 OE2 GLU A 166 6.708 -22.475 -2.531 1.00 0.00 O ATOM 0 H GLU A 166 7.747 -18.730 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 166 9.883 -19.735 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 166 9.077 -20.442 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 166 10.107 -21.406 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 166 8.248 -21.613 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 166 7.218 -20.623 -0.928 1.00 0.00 H new ATOM 1218 N ALA A 167 10.630 -18.004 -2.463 1.00 0.00 N ATOM 1219 CA ALA A 167 11.743 -17.280 -3.133 1.00 0.00 C ATOM 1220 C ALA A 167 12.257 -16.207 -2.179 1.00 0.00 C ATOM 1221 O ALA A 167 12.116 -15.027 -2.427 1.00 0.00 O ATOM 1222 CB ALA A 167 11.230 -16.618 -4.410 1.00 0.00 C ATOM 0 H ALA A 167 9.709 -17.852 -2.873 1.00 0.00 H new ATOM 0 HA ALA A 167 12.542 -17.975 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 167 12.048 -16.088 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 167 10.838 -17.381 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 167 10.438 -15.912 -4.161 1.00 0.00 H new ATOM 1271 N SER A 171 10.756 -10.179 -2.318 1.00 0.00 N ATOM 1272 CA SER A 171 10.187 -9.588 -1.074 1.00 0.00 C ATOM 1273 C SER A 171 8.898 -10.325 -0.698 1.00 0.00 C ATOM 1274 O SER A 171 8.189 -10.826 -1.548 1.00 0.00 O ATOM 1275 CB SER A 171 9.882 -8.109 -1.305 1.00 0.00 C ATOM 1276 OG SER A 171 9.450 -7.523 -0.085 1.00 0.00 O ATOM 0 HA SER A 171 10.909 -9.687 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 171 10.770 -7.596 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 171 9.111 -8.000 -2.068 1.00 0.00 H new ATOM 0 HG SER A 171 9.255 -6.573 -0.229 1.00 0.00 H new ATOM 1282 N SER A 172 8.590 -10.399 0.569 1.00 0.00 N ATOM 1283 CA SER A 172 7.348 -11.109 0.997 1.00 0.00 C ATOM 1284 C SER A 172 6.120 -10.403 0.419 1.00 0.00 C ATOM 1285 O SER A 172 6.120 -9.207 0.199 1.00 0.00 O ATOM 1286 CB SER A 172 7.245 -11.102 2.519 1.00 0.00 C ATOM 1287 OG SER A 172 8.398 -11.717 3.076 1.00 0.00 O ATOM 0 H SER A 172 9.144 -9.999 1.326 1.00 0.00 H new ATOM 0 HA SER A 172 7.390 -12.136 0.634 1.00 0.00 H new ATOM 0 HB2 SER A 172 7.154 -10.079 2.883 1.00 0.00 H new ATOM 0 HB3 SER A 172 6.348 -11.634 2.836 1.00 0.00 H new ATOM 0 HG SER A 172 8.683 -11.219 3.870 1.00 0.00 H new ATOM 1293 N TRP A 173 5.074 -11.141 0.180 1.00 0.00 N ATOM 1294 CA TRP A 173 3.832 -10.537 -0.377 1.00 0.00 C ATOM 1295 C TRP A 173 2.911 -10.085 0.755 1.00 0.00 C ATOM 1296 O TRP A 173 2.817 -10.730 1.783 1.00 0.00 O ATOM 1297 CB TRP A 173 3.095 -11.580 -1.215 1.00 0.00 C ATOM 1298 CG TRP A 173 4.056 -12.265 -2.124 1.00 0.00 C ATOM 1299 CD1 TRP A 173 4.953 -13.202 -1.758 1.00 0.00 C ATOM 1300 CD2 TRP A 173 4.207 -12.087 -3.551 1.00 0.00 C ATOM 1301 NE1 TRP A 173 5.656 -13.605 -2.881 1.00 0.00 N ATOM 1302 CE2 TRP A 173 5.228 -12.943 -4.014 1.00 0.00 C ATOM 1303 CE3 TRP A 173 3.556 -11.266 -4.470 1.00 0.00 C ATOM 1304 CZ2 TRP A 173 5.592 -12.979 -5.361 1.00 0.00 C ATOM 1305 CZ3 TRP A 173 3.913 -11.292 -5.827 1.00 0.00 C ATOM 1306 CH2 TRP A 173 4.932 -12.150 -6.273 1.00 0.00 C ATOM 0 H TRP A 173 5.025 -12.146 0.348 1.00 0.00 H new ATOM 0 HA TRP A 173 4.104 -9.678 -0.991 1.00 0.00 H new ATOM 0 HB2 TRP A 173 2.613 -12.309 -0.564 1.00 0.00 H new ATOM 0 HB3 TRP A 173 2.307 -11.102 -1.797 1.00 0.00 H new ATOM 0 HD1 TRP A 173 5.099 -13.576 -0.756 1.00 0.00 H new ATOM 0 HE1 TRP A 173 6.398 -14.305 -2.872 1.00 0.00 H new ATOM 0 HE3 TRP A 173 2.771 -10.605 -4.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 173 6.377 -13.641 -5.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 173 3.403 -10.651 -6.530 1.00 0.00 H new ATOM 0 HH2 TRP A 173 5.205 -12.169 -7.318 1.00 0.00 H new ATOM 1317 N TRP A 174 2.215 -8.996 0.564 1.00 0.00 N ATOM 1318 CA TRP A 174 1.272 -8.510 1.608 1.00 0.00 C ATOM 1319 C TRP A 174 -0.160 -8.770 1.140 1.00 0.00 C ATOM 1320 O TRP A 174 -0.528 -8.450 0.025 1.00 0.00 O ATOM 1321 CB TRP A 174 1.481 -7.013 1.838 1.00 0.00 C ATOM 1322 CG TRP A 174 2.654 -6.818 2.739 1.00 0.00 C ATOM 1323 CD1 TRP A 174 3.866 -6.362 2.349 1.00 0.00 C ATOM 1324 CD2 TRP A 174 2.752 -7.073 4.170 1.00 0.00 C ATOM 1325 NE1 TRP A 174 4.701 -6.315 3.452 1.00 0.00 N ATOM 1326 CE2 TRP A 174 4.059 -6.745 4.597 1.00 0.00 C ATOM 1327 CE3 TRP A 174 1.841 -7.550 5.133 1.00 0.00 C ATOM 1328 CZ2 TRP A 174 4.452 -6.885 5.930 1.00 0.00 C ATOM 1329 CZ3 TRP A 174 2.234 -7.694 6.476 1.00 0.00 C ATOM 1330 CH2 TRP A 174 3.537 -7.362 6.872 1.00 0.00 C ATOM 0 H TRP A 174 2.261 -8.420 -0.277 1.00 0.00 H new ATOM 0 HA TRP A 174 1.454 -9.037 2.545 1.00 0.00 H new ATOM 0 HB2 TRP A 174 1.648 -6.506 0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 174 0.588 -6.572 2.282 1.00 0.00 H new ATOM 0 HD1 TRP A 174 4.138 -6.081 1.342 1.00 0.00 H new ATOM 0 HE1 TRP A 174 5.671 -6.001 3.423 1.00 0.00 H new ATOM 0 HE3 TRP A 174 0.834 -7.807 4.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 174 5.457 -6.626 6.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 174 1.528 -8.062 7.206 1.00 0.00 H new ATOM 0 HH2 TRP A 174 3.833 -7.475 7.904 1.00 0.00 H new ATOM 1341 N MET A 175 -0.965 -9.360 1.982 1.00 0.00 N ATOM 1342 CA MET A 175 -2.373 -9.662 1.599 1.00 0.00 C ATOM 1343 C MET A 175 -3.313 -9.257 2.730 1.00 0.00 C ATOM 1344 O MET A 175 -2.937 -9.230 3.883 1.00 0.00 O ATOM 1345 CB MET A 175 -2.510 -11.166 1.361 1.00 0.00 C ATOM 1346 CG MET A 175 -1.811 -11.537 0.056 1.00 0.00 C ATOM 1347 SD MET A 175 -1.874 -13.331 -0.183 1.00 0.00 S ATOM 1348 CE MET A 175 -3.667 -13.477 -0.371 1.00 0.00 C ATOM 0 H MET A 175 -0.705 -9.648 2.925 1.00 0.00 H new ATOM 0 HA MET A 175 -2.629 -9.109 0.695 1.00 0.00 H new ATOM 0 HB2 MET A 175 -2.071 -11.719 2.192 1.00 0.00 H new ATOM 0 HB3 MET A 175 -3.563 -11.444 1.314 1.00 0.00 H new ATOM 0 HG2 MET A 175 -2.292 -11.032 -0.782 1.00 0.00 H new ATOM 0 HG3 MET A 175 -0.775 -11.200 0.079 1.00 0.00 H new ATOM 0 HE1 MET A 175 -3.902 -14.390 -0.918 1.00 0.00 H new ATOM 0 HE2 MET A 175 -4.134 -13.513 0.613 1.00 0.00 H new ATOM 0 HE3 MET A 175 -4.046 -12.616 -0.921 1.00 0.00 H new ATOM 1358 N LEU A 176 -4.542 -8.963 2.416 1.00 0.00 N ATOM 1359 CA LEU A 176 -5.505 -8.594 3.482 1.00 0.00 C ATOM 1360 C LEU A 176 -5.984 -9.873 4.154 1.00 0.00 C ATOM 1361 O LEU A 176 -5.630 -10.963 3.752 1.00 0.00 O ATOM 1362 CB LEU A 176 -6.699 -7.852 2.883 1.00 0.00 C ATOM 1363 CG LEU A 176 -6.216 -6.659 2.056 1.00 0.00 C ATOM 1364 CD1 LEU A 176 -7.423 -5.894 1.518 1.00 0.00 C ATOM 1365 CD2 LEU A 176 -5.378 -5.720 2.927 1.00 0.00 C ATOM 0 H LEU A 176 -4.919 -8.963 1.468 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.021 -7.940 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -7.280 -8.528 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -7.360 -7.509 3.679 1.00 0.00 H new ATOM 0 HG LEU A 176 -5.606 -7.024 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -7.081 -5.043 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -8.022 -6.554 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -8.029 -5.538 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -5.039 -4.874 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -5.983 -5.357 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -4.514 -6.259 3.316 1.00 0.00 H new ATOM 1377 N ASN A 177 -6.784 -9.757 5.171 1.00 0.00 N ATOM 1378 CA ASN A 177 -7.281 -10.975 5.858 1.00 0.00 C ATOM 1379 C ASN A 177 -8.043 -11.846 4.854 1.00 0.00 C ATOM 1380 O ASN A 177 -8.607 -11.350 3.897 1.00 0.00 O ATOM 1381 CB ASN A 177 -8.213 -10.567 7.001 1.00 0.00 C ATOM 1382 CG ASN A 177 -7.382 -10.101 8.201 1.00 0.00 C ATOM 1383 OD1 ASN A 177 -6.158 -10.527 8.338 1.00 0.00 O flip ATOM 1384 ND2 ASN A 177 -7.854 -9.342 9.025 1.00 0.00 N flip ATOM 0 H ASN A 177 -7.115 -8.873 5.556 1.00 0.00 H new ATOM 0 HA ASN A 177 -6.441 -11.540 6.262 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -8.878 -9.768 6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -8.844 -11.409 7.287 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -8.812 -9.007 8.920 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -7.292 -9.040 9.821 1.00 0.00 H new