USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 601 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 122 GLN : amide:sc= -7.75! C(o=-6.6!,f=-9.9!) USER MOD Set 1.2: A 191 LYS NZ :NH3+ -154:sc= 1.14 (180deg=-0.161) USER MOD Set 2.1: A 152 CYS SG : rot 25:sc= -3.09! USER MOD Set 2.2: A 176 LYS NZ :NH3+ 177:sc= -0.407 (180deg=-1.47) USER MOD Single : A 123 SER OG : rot -165:sc= -0.0442 USER MOD Single : A 130 LYS NZ :NH3+ -168:sc= -0.19 (180deg=-0.311) USER MOD Single : A 139 GLN : amide:sc= -7.58! C(o=-7.6!,f=-2!) USER MOD Single : A 148 THR OG1 : rot 99:sc= 0.364 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.2!) USER MOD Single : A 161 GLN : amide:sc= -0.584 K(o=-0.58,f=0) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 172 SER OG : rot 137:sc= -0.292 USER MOD Single : A 173 SER OG : rot 162:sc= -0.337 USER MOD Single : A 174 CYS SG : rot -21:sc= -0.0781! USER MOD Single : A 178 GLN : amide:sc= -6.16! C(o=-6.2!,f=-4!) USER MOD Single : A 179 THR OG1 : rot 180:sc= -0.024 USER MOD Single : A 181 LYS NZ :NH3+ 168:sc= -0.0234 (180deg=-0.183) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 186 HIS : no HE2:sc= -0.705 K(o=-0.7,f=-2.3!) USER MOD Single : A 188 THR OG1 : rot 160:sc= -4.76! USER MOD Single : A 192 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0192) USER MOD ----------------------------------------------------------------- ATOM 75 N LEU A 118 -8.457 -7.941 3.399 1.00 1.44 N ATOM 76 CA LEU A 118 -7.673 -7.351 2.306 1.00 1.29 C ATOM 77 C LEU A 118 -6.783 -8.388 1.649 1.00 0.93 C ATOM 78 O LEU A 118 -6.335 -9.327 2.307 1.00 0.99 O ATOM 79 CB LEU A 118 -6.747 -6.224 2.793 1.00 1.74 C ATOM 80 CG LEU A 118 -7.329 -5.154 3.735 1.00 2.42 C ATOM 81 CD1 LEU A 118 -8.701 -4.685 3.276 1.00 3.17 C ATOM 82 CD2 LEU A 118 -7.369 -5.651 5.172 1.00 2.96 C ATOM 0 HA LEU A 118 -8.407 -6.956 1.603 1.00 1.29 H new ATOM 0 HB2 LEU A 118 -5.899 -6.686 3.299 1.00 1.74 H new ATOM 0 HB3 LEU A 118 -6.354 -5.714 1.914 1.00 1.74 H new ATOM 0 HG LEU A 118 -6.663 -4.292 3.697 1.00 2.42 H new ATOM 0 HD11 LEU A 118 -9.077 -3.931 3.967 1.00 3.17 H new ATOM 0 HD12 LEU A 118 -8.623 -4.256 2.277 1.00 3.17 H new ATOM 0 HD13 LEU A 118 -9.387 -5.532 3.255 1.00 3.17 H new ATOM 0 HD21 LEU A 118 -7.785 -4.874 5.814 1.00 2.96 H new ATOM 0 HD22 LEU A 118 -7.993 -6.543 5.231 1.00 2.96 H new ATOM 0 HD23 LEU A 118 -6.358 -5.892 5.502 1.00 2.96 H new ATOM 94 N ASP A 119 -6.535 -8.231 0.354 1.00 0.79 N ATOM 95 CA ASP A 119 -5.540 -9.065 -0.309 1.00 0.65 C ATOM 96 C ASP A 119 -4.301 -8.245 -0.616 1.00 0.56 C ATOM 97 O ASP A 119 -4.392 -7.193 -1.227 1.00 0.59 O ATOM 98 CB ASP A 119 -6.036 -9.626 -1.646 1.00 0.84 C ATOM 99 CG ASP A 119 -7.355 -10.348 -1.574 1.00 1.06 C ATOM 100 OD1 ASP A 119 -8.367 -9.807 -2.067 1.00 1.51 O ATOM 101 OD2 ASP A 119 -7.391 -11.443 -0.975 1.00 1.42 O ATOM 0 H ASP A 119 -6.998 -7.549 -0.247 1.00 0.79 H new ATOM 0 HA ASP A 119 -5.331 -9.888 0.375 1.00 0.65 H new ATOM 0 HB2 ASP A 119 -6.125 -8.806 -2.358 1.00 0.84 H new ATOM 0 HB3 ASP A 119 -5.284 -10.310 -2.039 1.00 0.84 H new ATOM 106 N TRP A 120 -3.147 -8.740 -0.223 1.00 0.54 N ATOM 107 CA TRP A 120 -1.883 -8.162 -0.635 1.00 0.57 C ATOM 108 C TRP A 120 -0.996 -9.241 -1.191 1.00 0.74 C ATOM 109 O TRP A 120 -1.084 -10.405 -0.793 1.00 0.85 O ATOM 110 CB TRP A 120 -1.131 -7.532 0.523 1.00 0.65 C ATOM 111 CG TRP A 120 -2.016 -6.828 1.500 1.00 0.64 C ATOM 112 CD1 TRP A 120 -3.064 -6.011 1.207 1.00 0.60 C ATOM 113 CD2 TRP A 120 -1.943 -6.898 2.930 1.00 0.76 C ATOM 114 NE1 TRP A 120 -3.647 -5.562 2.367 1.00 0.73 N ATOM 115 CE2 TRP A 120 -2.976 -6.091 3.437 1.00 0.82 C ATOM 116 CE3 TRP A 120 -1.105 -7.562 3.827 1.00 0.88 C ATOM 117 CZ2 TRP A 120 -3.194 -5.932 4.803 1.00 0.99 C ATOM 118 CZ3 TRP A 120 -1.319 -7.403 5.183 1.00 1.02 C ATOM 119 CH2 TRP A 120 -2.357 -6.593 5.659 1.00 1.08 C ATOM 0 H TRP A 120 -3.057 -9.551 0.389 1.00 0.54 H new ATOM 0 HA TRP A 120 -2.116 -7.396 -1.375 1.00 0.57 H new ATOM 0 HB2 TRP A 120 -0.571 -8.307 1.046 1.00 0.65 H new ATOM 0 HB3 TRP A 120 -0.403 -6.823 0.129 1.00 0.65 H new ATOM 0 HD1 TRP A 120 -3.389 -5.754 0.210 1.00 0.60 H new ATOM 0 HE1 TRP A 120 -4.450 -4.936 2.422 1.00 0.73 H new ATOM 0 HE3 TRP A 120 -0.303 -8.189 3.468 1.00 0.88 H new ATOM 0 HZ2 TRP A 120 -3.995 -5.309 5.173 1.00 0.99 H new ATOM 0 HZ3 TRP A 120 -0.676 -7.911 5.886 1.00 1.02 H new ATOM 0 HH2 TRP A 120 -2.500 -6.488 6.724 1.00 1.08 H new ATOM 130 N ARG A 121 -0.138 -8.855 -2.089 1.00 0.81 N ATOM 131 CA ARG A 121 0.908 -9.729 -2.546 1.00 1.06 C ATOM 132 C ARG A 121 2.096 -8.913 -2.969 1.00 1.14 C ATOM 133 O ARG A 121 1.965 -7.757 -3.344 1.00 1.05 O ATOM 134 CB ARG A 121 0.464 -10.607 -3.693 1.00 1.20 C ATOM 135 CG ARG A 121 0.199 -9.860 -4.984 1.00 1.31 C ATOM 136 CD ARG A 121 -1.119 -9.141 -4.932 1.00 1.18 C ATOM 137 NE ARG A 121 -1.672 -8.911 -6.262 1.00 1.60 N ATOM 138 CZ ARG A 121 -2.851 -9.375 -6.670 1.00 1.99 C ATOM 139 NH1 ARG A 121 -3.588 -10.139 -5.868 1.00 2.34 N ATOM 140 NH2 ARG A 121 -3.275 -9.096 -7.893 1.00 2.57 N ATOM 0 H ARG A 121 -0.141 -7.933 -2.524 1.00 0.81 H new ATOM 0 HA ARG A 121 1.173 -10.384 -1.716 1.00 1.06 H new ATOM 0 HB2 ARG A 121 1.229 -11.362 -3.874 1.00 1.20 H new ATOM 0 HB3 ARG A 121 -0.443 -11.136 -3.400 1.00 1.20 H new ATOM 0 HG2 ARG A 121 1.001 -9.144 -5.164 1.00 1.31 H new ATOM 0 HG3 ARG A 121 0.202 -10.560 -5.820 1.00 1.31 H new ATOM 0 HD2 ARG A 121 -1.826 -9.724 -4.342 1.00 1.18 H new ATOM 0 HD3 ARG A 121 -0.990 -8.186 -4.423 1.00 1.18 H new ATOM 0 HE ARG A 121 -1.121 -8.360 -6.920 1.00 1.60 H new ATOM 0 HH11 ARG A 121 -3.250 -10.372 -4.934 1.00 2.34 H new ATOM 0 HH12 ARG A 121 -4.491 -10.491 -6.187 1.00 2.34 H new ATOM 0 HH21 ARG A 121 -2.699 -8.529 -8.515 1.00 2.57 H new ATOM 0 HH22 ARG A 121 -4.177 -9.448 -8.213 1.00 2.57 H new ATOM 154 N GLN A 122 3.243 -9.510 -2.906 1.00 1.38 N ATOM 155 CA GLN A 122 4.438 -8.878 -3.404 1.00 1.54 C ATOM 156 C GLN A 122 5.079 -9.745 -4.480 1.00 1.87 C ATOM 157 O GLN A 122 5.122 -10.968 -4.364 1.00 2.08 O ATOM 158 CB GLN A 122 5.405 -8.658 -2.228 1.00 1.73 C ATOM 159 CG GLN A 122 6.889 -8.705 -2.583 1.00 2.15 C ATOM 160 CD GLN A 122 7.402 -7.427 -3.211 1.00 2.06 C ATOM 161 OE1 GLN A 122 8.572 -7.078 -3.064 1.00 2.16 O ATOM 162 NE2 GLN A 122 6.541 -6.713 -3.899 1.00 1.91 N ATOM 0 H GLN A 122 3.385 -10.441 -2.513 1.00 1.38 H new ATOM 0 HA GLN A 122 4.193 -7.916 -3.853 1.00 1.54 H new ATOM 0 HB2 GLN A 122 5.187 -7.690 -1.777 1.00 1.73 H new ATOM 0 HB3 GLN A 122 5.206 -9.415 -1.470 1.00 1.73 H new ATOM 0 HG2 GLN A 122 7.464 -8.913 -1.680 1.00 2.15 H new ATOM 0 HG3 GLN A 122 7.064 -9.533 -3.270 1.00 2.15 H new ATOM 0 HE21 GLN A 122 5.578 -7.034 -4.000 1.00 1.91 H new ATOM 0 HE22 GLN A 122 6.835 -5.838 -4.332 1.00 1.91 H new ATOM 171 N SER A 123 5.566 -9.096 -5.523 1.00 1.94 N ATOM 172 CA SER A 123 6.275 -9.756 -6.580 1.00 2.32 C ATOM 173 C SER A 123 7.509 -8.924 -6.887 1.00 2.43 C ATOM 174 O SER A 123 7.642 -7.806 -6.381 1.00 2.22 O ATOM 175 CB SER A 123 5.360 -9.898 -7.803 1.00 2.41 C ATOM 176 OG SER A 123 5.996 -10.587 -8.867 1.00 2.83 O ATOM 0 H SER A 123 5.474 -8.088 -5.652 1.00 1.94 H new ATOM 0 HA SER A 123 6.581 -10.762 -6.292 1.00 2.32 H new ATOM 0 HB2 SER A 123 4.453 -10.431 -7.517 1.00 2.41 H new ATOM 0 HB3 SER A 123 5.054 -8.909 -8.144 1.00 2.41 H new ATOM 0 HG SER A 123 5.488 -10.452 -9.694 1.00 2.83 H new ATOM 182 N ALA A 124 8.386 -9.431 -7.730 1.00 2.77 N ATOM 183 CA ALA A 124 9.627 -8.740 -8.065 1.00 2.93 C ATOM 184 C ALA A 124 9.358 -7.417 -8.766 1.00 2.70 C ATOM 185 O ALA A 124 10.248 -6.595 -8.960 1.00 2.77 O ATOM 186 CB ALA A 124 10.472 -9.638 -8.942 1.00 3.35 C ATOM 0 H ALA A 124 8.265 -10.327 -8.202 1.00 2.77 H new ATOM 0 HA ALA A 124 10.161 -8.515 -7.142 1.00 2.93 H new ATOM 0 HB1 ALA A 124 11.401 -9.128 -9.196 1.00 3.35 H new ATOM 0 HB2 ALA A 124 10.699 -10.560 -8.407 1.00 3.35 H new ATOM 0 HB3 ALA A 124 9.926 -9.873 -9.855 1.00 3.35 H new ATOM 192 N GLU A 125 8.120 -7.251 -9.140 1.00 2.48 N ATOM 193 CA GLU A 125 7.677 -6.155 -9.964 1.00 2.35 C ATOM 194 C GLU A 125 6.898 -5.107 -9.175 1.00 1.91 C ATOM 195 O GLU A 125 6.936 -3.923 -9.506 1.00 1.78 O ATOM 196 CB GLU A 125 6.791 -6.764 -11.029 1.00 2.56 C ATOM 197 CG GLU A 125 5.969 -7.919 -10.467 1.00 2.56 C ATOM 198 CD GLU A 125 5.076 -8.585 -11.491 1.00 2.86 C ATOM 199 OE1 GLU A 125 4.381 -9.564 -11.142 1.00 3.11 O ATOM 200 OE2 GLU A 125 5.037 -8.102 -12.642 1.00 2.98 O ATOM 0 H GLU A 125 7.370 -7.889 -8.875 1.00 2.48 H new ATOM 0 HA GLU A 125 8.538 -5.635 -10.385 1.00 2.35 H new ATOM 0 HB2 GLU A 125 6.124 -6.001 -11.431 1.00 2.56 H new ATOM 0 HB3 GLU A 125 7.405 -7.120 -11.857 1.00 2.56 H new ATOM 0 HG2 GLU A 125 6.645 -8.664 -10.048 1.00 2.56 H new ATOM 0 HG3 GLU A 125 5.354 -7.550 -9.647 1.00 2.56 H new ATOM 207 N GLU A 126 6.198 -5.537 -8.127 1.00 1.72 N ATOM 208 CA GLU A 126 5.232 -4.682 -7.469 1.00 1.33 C ATOM 209 C GLU A 126 4.883 -5.196 -6.090 1.00 1.27 C ATOM 210 O GLU A 126 4.822 -6.408 -5.870 1.00 1.55 O ATOM 211 CB GLU A 126 3.961 -4.592 -8.314 1.00 1.42 C ATOM 212 CG GLU A 126 3.582 -5.928 -8.932 1.00 1.81 C ATOM 213 CD GLU A 126 2.108 -6.044 -9.264 1.00 1.94 C ATOM 214 OE1 GLU A 126 1.495 -7.081 -8.932 1.00 2.06 O ATOM 215 OE2 GLU A 126 1.555 -5.096 -9.853 1.00 2.15 O ATOM 0 H GLU A 126 6.286 -6.469 -7.722 1.00 1.72 H new ATOM 0 HA GLU A 126 5.680 -3.694 -7.361 1.00 1.33 H new ATOM 0 HB2 GLU A 126 3.139 -4.236 -7.693 1.00 1.42 H new ATOM 0 HB3 GLU A 126 4.105 -3.856 -9.105 1.00 1.42 H new ATOM 0 HG2 GLU A 126 4.164 -6.077 -9.842 1.00 1.81 H new ATOM 0 HG3 GLU A 126 3.855 -6.728 -8.244 1.00 1.81 H new ATOM 222 N VAL A 127 4.639 -4.274 -5.165 1.00 0.96 N ATOM 223 CA VAL A 127 4.085 -4.643 -3.890 1.00 0.93 C ATOM 224 C VAL A 127 2.629 -4.245 -3.893 1.00 0.66 C ATOM 225 O VAL A 127 2.295 -3.070 -4.030 1.00 0.53 O ATOM 226 CB VAL A 127 4.772 -3.941 -2.695 1.00 1.08 C ATOM 227 CG1 VAL A 127 4.302 -4.553 -1.383 1.00 1.31 C ATOM 228 CG2 VAL A 127 6.288 -3.979 -2.807 1.00 1.53 C ATOM 0 H VAL A 127 4.818 -3.277 -5.283 1.00 0.96 H new ATOM 0 HA VAL A 127 4.234 -5.715 -3.762 1.00 0.93 H new ATOM 0 HB VAL A 127 4.481 -2.891 -2.714 1.00 1.08 H new ATOM 0 HG11 VAL A 127 4.793 -4.050 -0.550 1.00 1.31 H new ATOM 0 HG12 VAL A 127 3.222 -4.435 -1.293 1.00 1.31 H new ATOM 0 HG13 VAL A 127 4.554 -5.613 -1.365 1.00 1.31 H new ATOM 0 HG21 VAL A 127 6.729 -3.475 -1.947 1.00 1.53 H new ATOM 0 HG22 VAL A 127 6.625 -5.015 -2.832 1.00 1.53 H new ATOM 0 HG23 VAL A 127 6.598 -3.474 -3.722 1.00 1.53 H new ATOM 238 N ILE A 128 1.775 -5.228 -3.753 1.00 0.64 N ATOM 239 CA ILE A 128 0.356 -5.020 -3.897 1.00 0.48 C ATOM 240 C ILE A 128 -0.360 -5.105 -2.584 1.00 0.46 C ATOM 241 O ILE A 128 -0.224 -6.078 -1.859 1.00 0.56 O ATOM 242 CB ILE A 128 -0.270 -6.023 -4.876 1.00 0.56 C ATOM 243 CG1 ILE A 128 0.408 -5.878 -6.223 1.00 0.64 C ATOM 244 CG2 ILE A 128 -1.761 -5.762 -4.999 1.00 0.55 C ATOM 245 CD1 ILE A 128 0.549 -4.433 -6.598 1.00 0.55 C ATOM 0 H ILE A 128 2.041 -6.189 -3.537 1.00 0.64 H new ATOM 0 HA ILE A 128 0.240 -4.012 -4.296 1.00 0.48 H new ATOM 0 HB ILE A 128 -0.130 -7.040 -4.509 1.00 0.56 H new ATOM 0 HG12 ILE A 128 1.391 -6.348 -6.192 1.00 0.64 H new ATOM 0 HG13 ILE A 128 -0.171 -6.401 -6.984 1.00 0.64 H new ATOM 0 HG21 ILE A 128 -2.199 -6.477 -5.695 1.00 0.55 H new ATOM 0 HG22 ILE A 128 -2.231 -5.872 -4.022 1.00 0.55 H new ATOM 0 HG23 ILE A 128 -1.924 -4.750 -5.368 1.00 0.55 H new ATOM 0 HD11 ILE A 128 1.039 -4.355 -7.569 1.00 0.55 H new ATOM 0 HD12 ILE A 128 -0.438 -3.973 -6.651 1.00 0.55 H new ATOM 0 HD13 ILE A 128 1.149 -3.919 -5.847 1.00 0.55 H new ATOM 257 N VAL A 129 -1.102 -4.068 -2.278 1.00 0.39 N ATOM 258 CA VAL A 129 -2.051 -4.122 -1.188 1.00 0.42 C ATOM 259 C VAL A 129 -3.421 -3.710 -1.720 1.00 0.36 C ATOM 260 O VAL A 129 -3.595 -2.628 -2.278 1.00 0.37 O ATOM 261 CB VAL A 129 -1.593 -3.238 0.002 1.00 0.52 C ATOM 262 CG1 VAL A 129 -1.043 -1.944 -0.505 1.00 0.73 C ATOM 263 CG2 VAL A 129 -2.715 -2.958 0.982 1.00 0.79 C ATOM 0 H VAL A 129 -1.068 -3.174 -2.768 1.00 0.39 H new ATOM 0 HA VAL A 129 -2.113 -5.138 -0.799 1.00 0.42 H new ATOM 0 HB VAL A 129 -0.821 -3.794 0.534 1.00 0.52 H new ATOM 0 HG11 VAL A 129 -0.724 -1.330 0.337 1.00 0.73 H new ATOM 0 HG12 VAL A 129 -0.190 -2.141 -1.155 1.00 0.73 H new ATOM 0 HG13 VAL A 129 -1.813 -1.417 -1.068 1.00 0.73 H new ATOM 0 HG21 VAL A 129 -2.341 -2.336 1.795 1.00 0.79 H new ATOM 0 HG22 VAL A 129 -3.524 -2.438 0.470 1.00 0.79 H new ATOM 0 HG23 VAL A 129 -3.088 -3.899 1.387 1.00 0.79 H new ATOM 273 N LYS A 130 -4.368 -4.614 -1.588 1.00 0.36 N ATOM 274 CA LYS A 130 -5.705 -4.433 -2.080 1.00 0.33 C ATOM 275 C LYS A 130 -6.657 -4.346 -0.917 1.00 0.37 C ATOM 276 O LYS A 130 -6.775 -5.279 -0.122 1.00 0.43 O ATOM 277 CB LYS A 130 -6.129 -5.588 -2.996 1.00 0.37 C ATOM 278 CG LYS A 130 -5.271 -5.754 -4.238 1.00 0.83 C ATOM 279 CD LYS A 130 -5.559 -7.066 -4.969 1.00 1.18 C ATOM 280 CE LYS A 130 -7.021 -7.194 -5.385 1.00 1.57 C ATOM 281 NZ LYS A 130 -7.843 -7.923 -4.378 1.00 1.50 N ATOM 0 H LYS A 130 -4.221 -5.511 -1.126 1.00 0.36 H new ATOM 0 HA LYS A 130 -5.730 -3.511 -2.661 1.00 0.33 H new ATOM 0 HB2 LYS A 130 -6.103 -6.516 -2.425 1.00 0.37 H new ATOM 0 HB3 LYS A 130 -7.163 -5.431 -3.302 1.00 0.37 H new ATOM 0 HG2 LYS A 130 -5.448 -4.917 -4.914 1.00 0.83 H new ATOM 0 HG3 LYS A 130 -4.218 -5.720 -3.957 1.00 0.83 H new ATOM 0 HD2 LYS A 130 -4.926 -7.132 -5.854 1.00 1.18 H new ATOM 0 HD3 LYS A 130 -5.293 -7.904 -4.324 1.00 1.18 H new ATOM 0 HE2 LYS A 130 -7.439 -6.199 -5.538 1.00 1.57 H new ATOM 0 HE3 LYS A 130 -7.078 -7.715 -6.341 1.00 1.57 H new ATOM 0 HZ1 LYS A 130 -8.768 -8.160 -4.791 1.00 1.50 H new ATOM 0 HZ2 LYS A 130 -7.354 -8.797 -4.098 1.00 1.50 H new ATOM 0 HZ3 LYS A 130 -7.982 -7.321 -3.542 1.00 1.50 H new ATOM 295 N LEU A 131 -7.353 -3.243 -0.841 1.00 0.38 N ATOM 296 CA LEU A 131 -8.139 -2.931 0.317 1.00 0.47 C ATOM 297 C LEU A 131 -9.607 -2.804 -0.055 1.00 0.45 C ATOM 298 O LEU A 131 -9.946 -2.303 -1.119 1.00 0.41 O ATOM 299 CB LEU A 131 -7.588 -1.651 0.926 1.00 0.51 C ATOM 300 CG LEU A 131 -6.074 -1.684 1.149 1.00 0.60 C ATOM 301 CD1 LEU A 131 -5.415 -0.463 0.531 1.00 0.72 C ATOM 302 CD2 LEU A 131 -5.752 -1.767 2.630 1.00 0.96 C ATOM 0 H LEU A 131 -7.390 -2.539 -1.579 1.00 0.38 H new ATOM 0 HA LEU A 131 -8.076 -3.731 1.054 1.00 0.47 H new ATOM 0 HB2 LEU A 131 -7.833 -0.813 0.274 1.00 0.51 H new ATOM 0 HB3 LEU A 131 -8.084 -1.469 1.879 1.00 0.51 H new ATOM 0 HG LEU A 131 -5.678 -2.574 0.660 1.00 0.60 H new ATOM 0 HD11 LEU A 131 -4.339 -0.505 0.700 1.00 0.72 H new ATOM 0 HD12 LEU A 131 -5.613 -0.446 -0.541 1.00 0.72 H new ATOM 0 HD13 LEU A 131 -5.819 0.440 0.989 1.00 0.72 H new ATOM 0 HD21 LEU A 131 -4.671 -1.789 2.767 1.00 0.96 H new ATOM 0 HD22 LEU A 131 -6.164 -0.897 3.141 1.00 0.96 H new ATOM 0 HD23 LEU A 131 -6.189 -2.674 3.047 1.00 0.96 H new ATOM 314 N ARG A 132 -10.464 -3.315 0.800 1.00 0.57 N ATOM 315 CA ARG A 132 -11.893 -3.292 0.560 1.00 0.63 C ATOM 316 C ARG A 132 -12.527 -2.115 1.292 1.00 0.60 C ATOM 317 O ARG A 132 -12.180 -1.823 2.439 1.00 0.67 O ATOM 318 CB ARG A 132 -12.535 -4.633 0.954 1.00 0.85 C ATOM 319 CG ARG A 132 -12.416 -5.002 2.426 1.00 1.32 C ATOM 320 CD ARG A 132 -13.621 -4.529 3.216 1.00 1.84 C ATOM 321 NE ARG A 132 -14.874 -5.011 2.636 1.00 2.53 N ATOM 322 CZ ARG A 132 -16.077 -4.644 3.066 1.00 3.25 C ATOM 323 NH1 ARG A 132 -16.195 -3.803 4.088 1.00 3.46 N ATOM 324 NH2 ARG A 132 -17.164 -5.121 2.477 1.00 4.13 N ATOM 0 H ARG A 132 -10.194 -3.757 1.679 1.00 0.57 H new ATOM 0 HA ARG A 132 -12.073 -3.155 -0.506 1.00 0.63 H new ATOM 0 HB2 ARG A 132 -13.592 -4.604 0.688 1.00 0.85 H new ATOM 0 HB3 ARG A 132 -12.078 -5.424 0.360 1.00 0.85 H new ATOM 0 HG2 ARG A 132 -12.316 -6.083 2.524 1.00 1.32 H new ATOM 0 HG3 ARG A 132 -11.511 -4.559 2.841 1.00 1.32 H new ATOM 0 HD2 ARG A 132 -13.540 -4.877 4.246 1.00 1.84 H new ATOM 0 HD3 ARG A 132 -13.630 -3.439 3.247 1.00 1.84 H new ATOM 0 HE ARG A 132 -14.822 -5.667 1.856 1.00 2.53 H new ATOM 0 HH11 ARG A 132 -15.360 -3.436 4.546 1.00 3.46 H new ATOM 0 HH12 ARG A 132 -17.120 -3.524 4.415 1.00 3.46 H new ATOM 0 HH21 ARG A 132 -17.077 -5.769 1.694 1.00 4.13 H new ATOM 0 HH22 ARG A 132 -18.088 -4.840 2.806 1.00 4.13 H new ATOM 338 N VAL A 133 -13.440 -1.429 0.624 1.00 0.60 N ATOM 339 CA VAL A 133 -13.987 -0.194 1.152 1.00 0.57 C ATOM 340 C VAL A 133 -15.275 -0.455 1.917 1.00 0.81 C ATOM 341 O VAL A 133 -16.275 -0.907 1.360 1.00 0.99 O ATOM 342 CB VAL A 133 -14.258 0.829 0.023 1.00 0.62 C ATOM 343 CG1 VAL A 133 -14.990 2.054 0.554 1.00 0.81 C ATOM 344 CG2 VAL A 133 -12.954 1.243 -0.635 1.00 0.99 C ATOM 0 H VAL A 133 -13.816 -1.707 -0.283 1.00 0.60 H new ATOM 0 HA VAL A 133 -13.244 0.223 1.832 1.00 0.57 H new ATOM 0 HB VAL A 133 -14.895 0.350 -0.720 1.00 0.62 H new ATOM 0 HG11 VAL A 133 -15.166 2.755 -0.262 1.00 0.81 H new ATOM 0 HG12 VAL A 133 -15.944 1.750 0.984 1.00 0.81 H new ATOM 0 HG13 VAL A 133 -14.384 2.536 1.321 1.00 0.81 H new ATOM 0 HG21 VAL A 133 -13.159 1.963 -1.427 1.00 0.99 H new ATOM 0 HG22 VAL A 133 -12.300 1.698 0.109 1.00 0.99 H new ATOM 0 HG23 VAL A 133 -12.466 0.366 -1.059 1.00 0.99 H new ATOM 354 N GLY A 134 -15.214 -0.183 3.214 1.00 0.96 N ATOM 355 CA GLY A 134 -16.369 -0.306 4.073 1.00 1.24 C ATOM 356 C GLY A 134 -16.678 0.989 4.754 1.00 1.32 C ATOM 357 O GLY A 134 -17.274 1.010 5.831 1.00 1.54 O ATOM 0 H GLY A 134 -14.367 0.126 3.691 1.00 0.96 H new ATOM 0 HA2 GLY A 134 -17.230 -0.625 3.485 1.00 1.24 H new ATOM 0 HA3 GLY A 134 -16.189 -1.079 4.820 1.00 1.24 H new ATOM 361 N VAL A 135 -16.259 2.078 4.143 1.00 1.26 N ATOM 362 CA VAL A 135 -16.490 3.374 4.720 1.00 1.46 C ATOM 363 C VAL A 135 -17.693 4.019 4.032 1.00 1.62 C ATOM 364 O VAL A 135 -17.976 5.207 4.182 1.00 2.18 O ATOM 365 CB VAL A 135 -15.233 4.258 4.593 1.00 1.46 C ATOM 366 CG1 VAL A 135 -14.932 4.555 3.135 1.00 1.28 C ATOM 367 CG2 VAL A 135 -15.360 5.542 5.403 1.00 1.79 C ATOM 0 H VAL A 135 -15.761 2.086 3.253 1.00 1.26 H new ATOM 0 HA VAL A 135 -16.705 3.267 5.783 1.00 1.46 H new ATOM 0 HB VAL A 135 -14.394 3.700 5.008 1.00 1.46 H new ATOM 0 HG11 VAL A 135 -14.042 5.180 3.067 1.00 1.28 H new ATOM 0 HG12 VAL A 135 -14.761 3.620 2.601 1.00 1.28 H new ATOM 0 HG13 VAL A 135 -15.777 5.078 2.688 1.00 1.28 H new ATOM 0 HG21 VAL A 135 -14.454 6.137 5.287 1.00 1.79 H new ATOM 0 HG22 VAL A 135 -16.217 6.113 5.047 1.00 1.79 H new ATOM 0 HG23 VAL A 135 -15.500 5.296 6.456 1.00 1.79 H new ATOM 377 N GLY A 136 -18.407 3.198 3.280 1.00 1.55 N ATOM 378 CA GLY A 136 -19.490 3.684 2.462 1.00 1.67 C ATOM 379 C GLY A 136 -19.118 3.613 0.999 1.00 1.53 C ATOM 380 O GLY A 136 -18.557 2.608 0.554 1.00 1.55 O ATOM 0 H GLY A 136 -18.251 2.192 3.223 1.00 1.55 H new ATOM 0 HA2 GLY A 136 -20.387 3.092 2.645 1.00 1.67 H new ATOM 0 HA3 GLY A 136 -19.727 4.713 2.734 1.00 1.67 H new ATOM 384 N PRO A 137 -19.407 4.657 0.222 1.00 1.48 N ATOM 385 CA PRO A 137 -19.005 4.723 -1.171 1.00 1.43 C ATOM 386 C PRO A 137 -17.551 5.107 -1.309 1.00 1.16 C ATOM 387 O PRO A 137 -17.052 5.975 -0.592 1.00 1.06 O ATOM 388 CB PRO A 137 -19.913 5.803 -1.751 1.00 1.57 C ATOM 389 CG PRO A 137 -20.208 6.710 -0.605 1.00 1.71 C ATOM 390 CD PRO A 137 -20.109 5.879 0.651 1.00 1.57 C ATOM 0 HA PRO A 137 -19.100 3.765 -1.681 1.00 1.43 H new ATOM 0 HB2 PRO A 137 -19.421 6.339 -2.563 1.00 1.57 H new ATOM 0 HB3 PRO A 137 -20.827 5.373 -2.160 1.00 1.57 H new ATOM 0 HG2 PRO A 137 -19.500 7.538 -0.576 1.00 1.71 H new ATOM 0 HG3 PRO A 137 -21.203 7.144 -0.703 1.00 1.71 H new ATOM 0 HD2 PRO A 137 -19.557 6.402 1.432 1.00 1.57 H new ATOM 0 HD3 PRO A 137 -21.095 5.651 1.056 1.00 1.57 H new ATOM 398 N LEU A 138 -16.869 4.447 -2.213 1.00 1.15 N ATOM 399 CA LEU A 138 -15.513 4.775 -2.496 1.00 0.96 C ATOM 400 C LEU A 138 -15.463 6.011 -3.362 1.00 0.97 C ATOM 401 O LEU A 138 -15.952 6.039 -4.494 1.00 1.14 O ATOM 402 CB LEU A 138 -14.863 3.585 -3.174 1.00 1.06 C ATOM 403 CG LEU A 138 -13.503 3.834 -3.841 1.00 0.85 C ATOM 404 CD1 LEU A 138 -12.551 4.543 -2.896 1.00 0.80 C ATOM 405 CD2 LEU A 138 -12.900 2.522 -4.306 1.00 1.69 C ATOM 0 H LEU A 138 -17.244 3.675 -2.764 1.00 1.15 H new ATOM 0 HA LEU A 138 -14.966 4.995 -1.579 1.00 0.96 H new ATOM 0 HB2 LEU A 138 -14.740 2.796 -2.433 1.00 1.06 H new ATOM 0 HB3 LEU A 138 -15.550 3.207 -3.931 1.00 1.06 H new ATOM 0 HG LEU A 138 -13.663 4.478 -4.705 1.00 0.85 H new ATOM 0 HD11 LEU A 138 -11.596 4.706 -3.396 1.00 0.80 H new ATOM 0 HD12 LEU A 138 -12.976 5.503 -2.604 1.00 0.80 H new ATOM 0 HD13 LEU A 138 -12.396 3.930 -2.008 1.00 0.80 H new ATOM 0 HD21 LEU A 138 -11.936 2.712 -4.777 1.00 1.69 H new ATOM 0 HD22 LEU A 138 -12.762 1.861 -3.450 1.00 1.69 H new ATOM 0 HD23 LEU A 138 -13.569 2.049 -5.025 1.00 1.69 H new ATOM 417 N GLN A 139 -14.870 7.025 -2.799 1.00 0.83 N ATOM 418 CA GLN A 139 -14.671 8.281 -3.459 1.00 0.88 C ATOM 419 C GLN A 139 -13.185 8.540 -3.518 1.00 0.75 C ATOM 420 O GLN A 139 -12.439 7.910 -2.770 1.00 0.66 O ATOM 421 CB GLN A 139 -15.421 9.412 -2.748 1.00 0.96 C ATOM 422 CG GLN A 139 -14.919 9.729 -1.352 1.00 0.86 C ATOM 423 CD GLN A 139 -15.332 8.693 -0.311 1.00 0.89 C ATOM 424 OE1 GLN A 139 -16.394 8.810 0.297 1.00 1.11 O ATOM 425 NE2 GLN A 139 -14.493 7.689 -0.075 1.00 0.93 N ATOM 0 H GLN A 139 -14.504 6.999 -1.847 1.00 0.83 H new ATOM 0 HA GLN A 139 -15.077 8.243 -4.470 1.00 0.88 H new ATOM 0 HB2 GLN A 139 -15.352 10.313 -3.357 1.00 0.96 H new ATOM 0 HB3 GLN A 139 -16.477 9.147 -2.688 1.00 0.96 H new ATOM 0 HG2 GLN A 139 -13.831 9.800 -1.372 1.00 0.86 H new ATOM 0 HG3 GLN A 139 -15.296 10.706 -1.051 1.00 0.86 H new ATOM 0 HE21 GLN A 139 -13.619 7.621 -0.597 1.00 0.93 H new ATOM 0 HE22 GLN A 139 -14.723 6.987 0.628 1.00 0.93 H new ATOM 434 N LEU A 140 -12.747 9.413 -4.402 1.00 0.83 N ATOM 435 CA LEU A 140 -11.320 9.598 -4.657 1.00 0.79 C ATOM 436 C LEU A 140 -10.567 9.829 -3.341 1.00 0.65 C ATOM 437 O LEU A 140 -9.427 9.393 -3.174 1.00 0.70 O ATOM 438 CB LEU A 140 -11.131 10.788 -5.607 1.00 0.98 C ATOM 439 CG LEU A 140 -9.884 10.755 -6.494 1.00 1.73 C ATOM 440 CD1 LEU A 140 -8.617 10.996 -5.688 1.00 2.38 C ATOM 441 CD2 LEU A 140 -9.813 9.427 -7.211 1.00 2.60 C ATOM 0 H LEU A 140 -13.356 10.011 -4.961 1.00 0.83 H new ATOM 0 HA LEU A 140 -10.913 8.700 -5.121 1.00 0.79 H new ATOM 0 HB2 LEU A 140 -12.008 10.854 -6.251 1.00 0.98 H new ATOM 0 HB3 LEU A 140 -11.103 11.700 -5.011 1.00 0.98 H new ATOM 0 HG LEU A 140 -9.959 11.560 -7.225 1.00 1.73 H new ATOM 0 HD11 LEU A 140 -7.753 10.965 -6.351 1.00 2.38 H new ATOM 0 HD12 LEU A 140 -8.672 11.973 -5.208 1.00 2.38 H new ATOM 0 HD13 LEU A 140 -8.518 10.223 -4.926 1.00 2.38 H new ATOM 0 HD21 LEU A 140 -8.925 9.402 -7.843 1.00 2.60 H new ATOM 0 HD22 LEU A 140 -9.760 8.621 -6.479 1.00 2.60 H new ATOM 0 HD23 LEU A 140 -10.702 9.299 -7.829 1.00 2.60 H new ATOM 453 N GLU A 141 -11.256 10.453 -2.396 1.00 0.63 N ATOM 454 CA GLU A 141 -10.679 10.826 -1.116 1.00 0.64 C ATOM 455 C GLU A 141 -10.351 9.630 -0.222 1.00 0.59 C ATOM 456 O GLU A 141 -9.691 9.787 0.800 1.00 0.70 O ATOM 457 CB GLU A 141 -11.648 11.716 -0.371 1.00 0.78 C ATOM 458 CG GLU A 141 -12.612 10.936 0.473 1.00 1.06 C ATOM 459 CD GLU A 141 -13.524 11.815 1.299 1.00 1.78 C ATOM 460 OE1 GLU A 141 -14.658 12.084 0.851 1.00 2.58 O ATOM 461 OE2 GLU A 141 -13.115 12.252 2.391 1.00 2.05 O ATOM 0 H GLU A 141 -12.236 10.715 -2.498 1.00 0.63 H new ATOM 0 HA GLU A 141 -9.743 11.338 -1.339 1.00 0.64 H new ATOM 0 HB2 GLU A 141 -11.090 12.405 0.263 1.00 0.78 H new ATOM 0 HB3 GLU A 141 -12.204 12.321 -1.087 1.00 0.78 H new ATOM 0 HG2 GLU A 141 -13.218 10.299 -0.172 1.00 1.06 H new ATOM 0 HG3 GLU A 141 -12.053 10.277 1.137 1.00 1.06 H new ATOM 468 N ASP A 142 -10.786 8.443 -0.605 1.00 0.51 N ATOM 469 CA ASP A 142 -10.730 7.307 0.295 1.00 0.51 C ATOM 470 C ASP A 142 -9.356 6.681 0.328 1.00 0.50 C ATOM 471 O ASP A 142 -9.033 5.922 1.236 1.00 0.56 O ATOM 472 CB ASP A 142 -11.756 6.256 -0.130 1.00 0.57 C ATOM 473 CG ASP A 142 -11.534 4.882 0.479 1.00 1.64 C ATOM 474 OD1 ASP A 142 -11.992 4.657 1.610 1.00 2.37 O ATOM 475 OD2 ASP A 142 -10.886 4.040 -0.172 1.00 2.39 O ATOM 0 H ASP A 142 -11.178 8.242 -1.525 1.00 0.51 H new ATOM 0 HA ASP A 142 -10.959 7.671 1.297 1.00 0.51 H new ATOM 0 HB2 ASP A 142 -12.751 6.605 0.144 1.00 0.57 H new ATOM 0 HB3 ASP A 142 -11.738 6.166 -1.216 1.00 0.57 H new ATOM 480 N VAL A 143 -8.505 7.076 -0.587 1.00 0.49 N ATOM 481 CA VAL A 143 -7.130 6.665 -0.489 1.00 0.47 C ATOM 482 C VAL A 143 -6.219 7.866 -0.420 1.00 0.47 C ATOM 483 O VAL A 143 -6.165 8.684 -1.343 1.00 0.59 O ATOM 484 CB VAL A 143 -6.682 5.743 -1.636 1.00 0.55 C ATOM 485 CG1 VAL A 143 -5.337 5.116 -1.291 1.00 0.53 C ATOM 486 CG2 VAL A 143 -7.724 4.670 -1.909 1.00 0.65 C ATOM 0 H VAL A 143 -8.733 7.666 -1.387 1.00 0.49 H new ATOM 0 HA VAL A 143 -7.057 6.087 0.432 1.00 0.47 H new ATOM 0 HB VAL A 143 -6.575 6.336 -2.544 1.00 0.55 H new ATOM 0 HG11 VAL A 143 -5.021 4.463 -2.104 1.00 0.53 H new ATOM 0 HG12 VAL A 143 -4.595 5.902 -1.147 1.00 0.53 H new ATOM 0 HG13 VAL A 143 -5.431 4.534 -0.374 1.00 0.53 H new ATOM 0 HG21 VAL A 143 -7.384 4.031 -2.724 1.00 0.65 H new ATOM 0 HG22 VAL A 143 -7.869 4.068 -1.012 1.00 0.65 H new ATOM 0 HG23 VAL A 143 -8.667 5.141 -2.187 1.00 0.65 H new ATOM 496 N ASP A 144 -5.504 7.970 0.677 1.00 0.40 N ATOM 497 CA ASP A 144 -4.440 8.935 0.788 1.00 0.41 C ATOM 498 C ASP A 144 -3.125 8.196 0.778 1.00 0.33 C ATOM 499 O ASP A 144 -2.779 7.496 1.723 1.00 0.33 O ATOM 500 CB ASP A 144 -4.562 9.794 2.050 1.00 0.47 C ATOM 501 CG ASP A 144 -3.365 10.711 2.241 1.00 0.91 C ATOM 502 OD1 ASP A 144 -3.020 11.456 1.296 1.00 1.11 O ATOM 503 OD2 ASP A 144 -2.774 10.703 3.343 1.00 1.52 O ATOM 0 H ASP A 144 -5.643 7.394 1.507 1.00 0.40 H new ATOM 0 HA ASP A 144 -4.501 9.619 -0.058 1.00 0.41 H new ATOM 0 HB2 ASP A 144 -5.471 10.393 1.993 1.00 0.47 H new ATOM 0 HB3 ASP A 144 -4.663 9.145 2.920 1.00 0.47 H new ATOM 508 N ALA A 145 -2.410 8.297 -0.304 1.00 0.38 N ATOM 509 CA ALA A 145 -1.135 7.655 -0.372 1.00 0.36 C ATOM 510 C ALA A 145 -0.055 8.713 -0.235 1.00 0.39 C ATOM 511 O ALA A 145 0.039 9.621 -1.060 1.00 0.47 O ATOM 512 CB ALA A 145 -0.990 6.876 -1.669 1.00 0.48 C ATOM 0 H ALA A 145 -2.685 8.812 -1.141 1.00 0.38 H new ATOM 0 HA ALA A 145 -1.038 6.935 0.441 1.00 0.36 H new ATOM 0 HB1 ALA A 145 -0.012 6.396 -1.698 1.00 0.48 H new ATOM 0 HB2 ALA A 145 -1.769 6.116 -1.726 1.00 0.48 H new ATOM 0 HB3 ALA A 145 -1.085 7.557 -2.515 1.00 0.48 H new ATOM 518 N ALA A 146 0.760 8.600 0.792 1.00 0.38 N ATOM 519 CA ALA A 146 1.768 9.619 1.044 1.00 0.49 C ATOM 520 C ALA A 146 3.132 9.018 0.872 1.00 0.48 C ATOM 521 O ALA A 146 3.531 8.167 1.639 1.00 0.66 O ATOM 522 CB ALA A 146 1.618 10.183 2.446 1.00 0.56 C ATOM 0 H ALA A 146 0.750 7.828 1.459 1.00 0.38 H new ATOM 0 HA ALA A 146 1.636 10.435 0.333 1.00 0.49 H new ATOM 0 HB1 ALA A 146 2.380 10.943 2.616 1.00 0.56 H new ATOM 0 HB2 ALA A 146 0.630 10.630 2.555 1.00 0.56 H new ATOM 0 HB3 ALA A 146 1.736 9.381 3.175 1.00 0.56 H new ATOM 528 N PHE A 147 3.869 9.481 -0.094 1.00 0.57 N ATOM 529 CA PHE A 147 5.069 8.783 -0.471 1.00 0.59 C ATOM 530 C PHE A 147 6.240 9.742 -0.598 1.00 0.68 C ATOM 531 O PHE A 147 6.103 10.880 -1.056 1.00 0.94 O ATOM 532 CB PHE A 147 4.806 8.010 -1.769 1.00 0.82 C ATOM 533 CG PHE A 147 4.506 8.917 -2.912 1.00 2.08 C ATOM 534 CD1 PHE A 147 5.539 9.511 -3.581 1.00 2.46 C ATOM 535 CD2 PHE A 147 3.203 9.201 -3.289 1.00 3.01 C ATOM 536 CE1 PHE A 147 5.299 10.383 -4.628 1.00 3.72 C ATOM 537 CE2 PHE A 147 2.948 10.065 -4.336 1.00 4.26 C ATOM 538 CZ PHE A 147 4.000 10.659 -5.007 1.00 4.62 C ATOM 0 H PHE A 147 3.668 10.325 -0.630 1.00 0.57 H new ATOM 0 HA PHE A 147 5.342 8.070 0.307 1.00 0.59 H new ATOM 0 HB2 PHE A 147 5.677 7.400 -2.010 1.00 0.82 H new ATOM 0 HB3 PHE A 147 3.970 7.327 -1.620 1.00 0.82 H new ATOM 0 HD1 PHE A 147 6.556 9.297 -3.289 1.00 2.46 H new ATOM 0 HD2 PHE A 147 2.380 8.743 -2.760 1.00 3.01 H new ATOM 0 HE1 PHE A 147 6.125 10.846 -5.147 1.00 3.72 H new ATOM 0 HE2 PHE A 147 1.930 10.276 -4.629 1.00 4.26 H new ATOM 0 HZ PHE A 147 3.807 11.337 -5.825 1.00 4.62 H new ATOM 548 N THR A 148 7.367 9.276 -0.142 1.00 0.54 N ATOM 549 CA THR A 148 8.607 9.988 -0.215 1.00 0.64 C ATOM 550 C THR A 148 9.672 9.058 -0.758 1.00 0.71 C ATOM 551 O THR A 148 9.438 7.859 -0.891 1.00 0.74 O ATOM 552 CB THR A 148 9.042 10.435 1.173 1.00 0.56 C ATOM 553 OG1 THR A 148 7.912 10.892 1.930 1.00 0.65 O ATOM 554 CG2 THR A 148 10.072 11.534 1.073 1.00 0.81 C ATOM 0 H THR A 148 7.449 8.362 0.304 1.00 0.54 H new ATOM 0 HA THR A 148 8.476 10.858 -0.858 1.00 0.64 H new ATOM 0 HB THR A 148 9.486 9.581 1.685 1.00 0.56 H new ATOM 0 HG1 THR A 148 7.608 10.177 2.528 1.00 0.65 H new ATOM 0 HG21 THR A 148 10.373 11.843 2.074 1.00 0.81 H new ATOM 0 HG22 THR A 148 10.943 11.168 0.529 1.00 0.81 H new ATOM 0 HG23 THR A 148 9.645 12.386 0.544 1.00 0.81 H new ATOM 562 N ASP A 149 10.860 9.588 -0.992 1.00 0.84 N ATOM 563 CA ASP A 149 11.966 8.779 -1.442 1.00 0.98 C ATOM 564 C ASP A 149 12.457 7.917 -0.309 1.00 0.79 C ATOM 565 O ASP A 149 13.316 7.062 -0.482 1.00 0.92 O ATOM 566 CB ASP A 149 13.119 9.625 -1.978 1.00 1.23 C ATOM 567 CG ASP A 149 12.747 10.405 -3.224 1.00 1.87 C ATOM 568 OD1 ASP A 149 12.930 11.643 -3.225 1.00 2.28 O ATOM 569 OD2 ASP A 149 12.255 9.801 -4.198 1.00 2.17 O ATOM 0 H ASP A 149 11.078 10.578 -0.876 1.00 0.84 H new ATOM 0 HA ASP A 149 11.605 8.156 -2.261 1.00 0.98 H new ATOM 0 HB2 ASP A 149 13.444 10.320 -1.204 1.00 1.23 H new ATOM 0 HB3 ASP A 149 13.966 8.977 -2.201 1.00 1.23 H new ATOM 574 N THR A 150 11.940 8.170 0.868 1.00 0.56 N ATOM 575 CA THR A 150 12.324 7.391 2.002 1.00 0.54 C ATOM 576 C THR A 150 11.119 6.827 2.744 1.00 0.64 C ATOM 577 O THR A 150 11.259 6.239 3.792 1.00 0.88 O ATOM 578 CB THR A 150 13.220 8.207 2.944 1.00 0.53 C ATOM 579 OG1 THR A 150 12.523 9.376 3.392 1.00 0.67 O ATOM 580 CG2 THR A 150 14.494 8.615 2.221 1.00 0.59 C ATOM 0 H THR A 150 11.258 8.905 1.058 1.00 0.56 H new ATOM 0 HA THR A 150 12.897 6.540 1.633 1.00 0.54 H new ATOM 0 HB THR A 150 13.478 7.593 3.807 1.00 0.53 H new ATOM 0 HG1 THR A 150 13.100 9.891 3.994 1.00 0.67 H new ATOM 0 HG21 THR A 150 15.125 9.194 2.895 1.00 0.59 H new ATOM 0 HG22 THR A 150 15.030 7.723 1.898 1.00 0.59 H new ATOM 0 HG23 THR A 150 14.241 9.221 1.351 1.00 0.59 H new ATOM 588 N ASP A 151 9.923 7.007 2.228 1.00 0.55 N ATOM 589 CA ASP A 151 8.765 6.400 2.876 1.00 0.63 C ATOM 590 C ASP A 151 7.564 6.419 1.964 1.00 0.57 C ATOM 591 O ASP A 151 7.610 7.020 0.913 1.00 0.54 O ATOM 592 CB ASP A 151 8.442 7.096 4.208 1.00 0.71 C ATOM 593 CG ASP A 151 8.338 8.605 4.085 1.00 0.79 C ATOM 594 OD1 ASP A 151 9.386 9.288 4.166 1.00 0.97 O ATOM 595 OD2 ASP A 151 7.213 9.122 3.930 1.00 1.00 O ATOM 0 H ASP A 151 9.722 7.550 1.388 1.00 0.55 H new ATOM 0 HA ASP A 151 9.016 5.361 3.091 1.00 0.63 H new ATOM 0 HB2 ASP A 151 7.502 6.704 4.597 1.00 0.71 H new ATOM 0 HB3 ASP A 151 9.215 6.850 4.936 1.00 0.71 H new ATOM 600 N CYS A 152 6.514 5.702 2.321 1.00 0.66 N ATOM 601 CA CYS A 152 5.272 5.817 1.610 1.00 0.61 C ATOM 602 C CYS A 152 4.105 5.298 2.442 1.00 0.63 C ATOM 603 O CYS A 152 4.278 4.488 3.348 1.00 0.85 O ATOM 604 CB CYS A 152 5.363 5.096 0.282 1.00 0.97 C ATOM 605 SG CYS A 152 5.794 3.345 0.427 1.00 1.56 S ATOM 0 H CYS A 152 6.505 5.039 3.096 1.00 0.66 H new ATOM 0 HA CYS A 152 5.084 6.873 1.417 1.00 0.61 H new ATOM 0 HB2 CYS A 152 4.407 5.183 -0.234 1.00 0.97 H new ATOM 0 HB3 CYS A 152 6.107 5.593 -0.340 1.00 0.97 H new ATOM 0 HG CYS A 152 5.440 2.906 1.598 1.00 1.56 H new ATOM 611 N VAL A 153 2.921 5.756 2.085 1.00 0.49 N ATOM 612 CA VAL A 153 1.735 5.597 2.887 1.00 0.43 C ATOM 613 C VAL A 153 0.572 5.155 2.036 1.00 0.37 C ATOM 614 O VAL A 153 0.420 5.569 0.892 1.00 0.37 O ATOM 615 CB VAL A 153 1.412 6.919 3.612 1.00 0.43 C ATOM 616 CG1 VAL A 153 -0.078 7.077 3.896 1.00 0.41 C ATOM 617 CG2 VAL A 153 2.209 7.021 4.904 1.00 0.60 C ATOM 0 H VAL A 153 2.759 6.258 1.212 1.00 0.49 H new ATOM 0 HA VAL A 153 1.916 4.824 3.634 1.00 0.43 H new ATOM 0 HB VAL A 153 1.700 7.731 2.944 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -0.253 8.024 4.407 1.00 0.41 H new ATOM 0 HG12 VAL A 153 -0.631 7.065 2.957 1.00 0.41 H new ATOM 0 HG13 VAL A 153 -0.417 6.256 4.527 1.00 0.41 H new ATOM 0 HG21 VAL A 153 1.971 7.959 5.405 1.00 0.60 H new ATOM 0 HG22 VAL A 153 1.953 6.186 5.556 1.00 0.60 H new ATOM 0 HG23 VAL A 153 3.275 6.991 4.677 1.00 0.60 H new ATOM 627 N VAL A 154 -0.178 4.262 2.606 1.00 0.36 N ATOM 628 CA VAL A 154 -1.396 3.758 2.049 1.00 0.34 C ATOM 629 C VAL A 154 -2.515 4.150 2.980 1.00 0.28 C ATOM 630 O VAL A 154 -2.444 3.888 4.170 1.00 0.29 O ATOM 631 CB VAL A 154 -1.351 2.208 1.869 1.00 0.40 C ATOM 632 CG1 VAL A 154 -2.062 1.464 2.949 1.00 0.38 C ATOM 633 CG2 VAL A 154 -1.921 1.843 0.530 1.00 0.45 C ATOM 0 H VAL A 154 0.052 3.847 3.509 1.00 0.36 H new ATOM 0 HA VAL A 154 -1.549 4.182 1.057 1.00 0.34 H new ATOM 0 HB VAL A 154 -0.304 1.911 1.932 1.00 0.40 H new ATOM 0 HG11 VAL A 154 -1.991 0.393 2.761 1.00 0.38 H new ATOM 0 HG12 VAL A 154 -1.605 1.694 3.911 1.00 0.38 H new ATOM 0 HG13 VAL A 154 -3.111 1.760 2.965 1.00 0.38 H new ATOM 0 HG21 VAL A 154 -1.890 0.761 0.404 1.00 0.45 H new ATOM 0 HG22 VAL A 154 -2.954 2.186 0.469 1.00 0.45 H new ATOM 0 HG23 VAL A 154 -1.334 2.317 -0.257 1.00 0.45 H new ATOM 643 N ARG A 155 -3.487 4.876 2.504 1.00 0.30 N ATOM 644 CA ARG A 155 -4.585 5.187 3.380 1.00 0.33 C ATOM 645 C ARG A 155 -5.941 4.789 2.835 1.00 0.45 C ATOM 646 O ARG A 155 -6.225 4.965 1.662 1.00 0.63 O ATOM 647 CB ARG A 155 -4.553 6.650 3.745 1.00 0.46 C ATOM 648 CG ARG A 155 -5.691 7.090 4.634 1.00 0.79 C ATOM 649 CD ARG A 155 -6.725 7.876 3.853 1.00 1.06 C ATOM 650 NE ARG A 155 -7.430 8.829 4.712 1.00 1.59 N ATOM 651 CZ ARG A 155 -8.634 9.338 4.453 1.00 1.99 C ATOM 652 NH1 ARG A 155 -9.303 8.960 3.374 1.00 2.40 N ATOM 653 NH2 ARG A 155 -9.166 10.228 5.280 1.00 2.42 N ATOM 0 H ARG A 155 -3.546 5.251 1.557 1.00 0.30 H new ATOM 0 HA ARG A 155 -4.448 4.582 4.276 1.00 0.33 H new ATOM 0 HB2 ARG A 155 -3.610 6.868 4.246 1.00 0.46 H new ATOM 0 HB3 ARG A 155 -4.572 7.242 2.830 1.00 0.46 H new ATOM 0 HG2 ARG A 155 -6.160 6.217 5.087 1.00 0.79 H new ATOM 0 HG3 ARG A 155 -5.304 7.702 5.448 1.00 0.79 H new ATOM 0 HD2 ARG A 155 -6.238 8.410 3.037 1.00 1.06 H new ATOM 0 HD3 ARG A 155 -7.442 7.190 3.402 1.00 1.06 H new ATOM 0 HE ARG A 155 -6.966 9.125 5.571 1.00 1.59 H new ATOM 0 HH11 ARG A 155 -8.897 8.276 2.736 1.00 2.40 H new ATOM 0 HH12 ARG A 155 -10.224 9.353 3.181 1.00 2.40 H new ATOM 0 HH21 ARG A 155 -8.654 10.521 6.112 1.00 2.42 H new ATOM 0 HH22 ARG A 155 -10.087 10.619 5.084 1.00 2.42 H new ATOM 667 N PHE A 156 -6.753 4.250 3.726 1.00 0.44 N ATOM 668 CA PHE A 156 -8.165 4.019 3.483 1.00 0.49 C ATOM 669 C PHE A 156 -9.002 4.971 4.350 1.00 0.57 C ATOM 670 O PHE A 156 -8.615 5.295 5.476 1.00 0.71 O ATOM 671 CB PHE A 156 -8.491 2.552 3.791 1.00 0.60 C ATOM 672 CG PHE A 156 -9.953 2.227 3.900 1.00 0.59 C ATOM 673 CD1 PHE A 156 -10.720 2.072 2.758 1.00 0.56 C ATOM 674 CD2 PHE A 156 -10.559 2.084 5.132 1.00 0.77 C ATOM 675 CE1 PHE A 156 -12.065 1.778 2.842 1.00 0.65 C ATOM 676 CE2 PHE A 156 -11.904 1.790 5.224 1.00 0.82 C ATOM 677 CZ PHE A 156 -12.649 1.615 4.125 1.00 0.72 C ATOM 0 H PHE A 156 -6.445 3.956 4.653 1.00 0.44 H new ATOM 0 HA PHE A 156 -8.406 4.217 2.439 1.00 0.49 H new ATOM 0 HB2 PHE A 156 -8.055 1.929 3.010 1.00 0.60 H new ATOM 0 HB3 PHE A 156 -8.004 2.278 4.727 1.00 0.60 H new ATOM 0 HD1 PHE A 156 -10.259 2.183 1.788 1.00 0.56 H new ATOM 0 HD2 PHE A 156 -9.975 2.203 6.032 1.00 0.77 H new ATOM 0 HE1 PHE A 156 -12.662 1.674 1.948 1.00 0.65 H new ATOM 0 HE2 PHE A 156 -12.363 1.700 6.197 1.00 0.82 H new ATOM 0 HZ PHE A 156 -13.692 1.350 4.215 1.00 0.72 H new ATOM 687 N ALA A 157 -10.150 5.413 3.801 1.00 0.57 N ATOM 688 CA ALA A 157 -10.948 6.510 4.373 1.00 0.65 C ATOM 689 C ALA A 157 -11.344 6.268 5.821 1.00 0.77 C ATOM 690 O ALA A 157 -11.502 7.215 6.592 1.00 0.95 O ATOM 691 CB ALA A 157 -12.201 6.744 3.557 1.00 0.71 C ATOM 0 H ALA A 157 -10.548 5.018 2.949 1.00 0.57 H new ATOM 0 HA ALA A 157 -10.306 7.391 4.344 1.00 0.65 H new ATOM 0 HB1 ALA A 157 -12.775 7.559 3.998 1.00 0.71 H new ATOM 0 HB2 ALA A 157 -11.926 7.005 2.535 1.00 0.71 H new ATOM 0 HB3 ALA A 157 -12.805 5.837 3.550 1.00 0.71 H new ATOM 697 N GLY A 158 -11.514 5.004 6.180 1.00 0.76 N ATOM 698 CA GLY A 158 -11.952 4.663 7.516 1.00 0.94 C ATOM 699 C GLY A 158 -10.850 4.799 8.546 1.00 0.91 C ATOM 700 O GLY A 158 -11.106 5.179 9.689 1.00 1.81 O ATOM 0 H GLY A 158 -11.355 4.205 5.566 1.00 0.76 H new ATOM 0 HA2 GLY A 158 -12.786 5.307 7.796 1.00 0.94 H new ATOM 0 HA3 GLY A 158 -12.324 3.638 7.521 1.00 0.94 H new ATOM 704 N GLY A 159 -9.621 4.516 8.137 1.00 0.72 N ATOM 705 CA GLY A 159 -8.511 4.529 9.067 1.00 0.81 C ATOM 706 C GLY A 159 -7.514 3.429 8.772 1.00 0.60 C ATOM 707 O GLY A 159 -6.396 3.443 9.286 1.00 0.78 O ATOM 0 H GLY A 159 -9.373 4.277 7.177 1.00 0.72 H new ATOM 0 HA2 GLY A 159 -8.009 5.496 9.020 1.00 0.81 H new ATOM 0 HA3 GLY A 159 -8.888 4.414 10.083 1.00 0.81 H new ATOM 711 N GLN A 160 -7.927 2.479 7.942 1.00 0.50 N ATOM 712 CA GLN A 160 -7.097 1.393 7.517 1.00 0.47 C ATOM 713 C GLN A 160 -5.976 1.921 6.631 1.00 0.40 C ATOM 714 O GLN A 160 -6.149 2.149 5.440 1.00 0.56 O ATOM 715 CB GLN A 160 -8.002 0.418 6.819 1.00 0.71 C ATOM 716 CG GLN A 160 -7.280 -0.663 6.097 1.00 0.64 C ATOM 717 CD GLN A 160 -8.229 -1.658 5.467 1.00 1.08 C ATOM 718 OE1 GLN A 160 -8.621 -1.522 4.312 1.00 1.43 O ATOM 719 NE2 GLN A 160 -8.631 -2.649 6.244 1.00 2.02 N ATOM 0 H GLN A 160 -8.867 2.454 7.547 1.00 0.50 H new ATOM 0 HA GLN A 160 -6.603 0.888 8.347 1.00 0.47 H new ATOM 0 HB2 GLN A 160 -8.670 -0.032 7.553 1.00 0.71 H new ATOM 0 HB3 GLN A 160 -8.627 0.961 6.110 1.00 0.71 H new ATOM 0 HG2 GLN A 160 -6.650 -0.224 5.324 1.00 0.64 H new ATOM 0 HG3 GLN A 160 -6.618 -1.182 6.790 1.00 0.64 H new ATOM 0 HE21 GLN A 160 -8.279 -2.724 7.198 1.00 2.02 H new ATOM 0 HE22 GLN A 160 -9.293 -3.339 5.889 1.00 2.02 H new ATOM 728 N GLN A 161 -4.826 2.126 7.232 1.00 0.38 N ATOM 729 CA GLN A 161 -3.755 2.841 6.595 1.00 0.34 C ATOM 730 C GLN A 161 -2.428 2.178 6.921 1.00 0.39 C ATOM 731 O GLN A 161 -2.148 1.823 8.066 1.00 0.46 O ATOM 732 CB GLN A 161 -3.804 4.310 7.020 1.00 0.35 C ATOM 733 CG GLN A 161 -2.492 5.059 6.823 1.00 1.08 C ATOM 734 CD GLN A 161 -2.493 6.439 7.444 1.00 1.12 C ATOM 735 OE1 GLN A 161 -1.452 6.942 7.863 1.00 1.77 O ATOM 736 NE2 GLN A 161 -3.658 7.058 7.517 1.00 1.46 N ATOM 0 H GLN A 161 -4.612 1.801 8.175 1.00 0.38 H new ATOM 0 HA GLN A 161 -3.866 2.811 5.511 1.00 0.34 H new ATOM 0 HB2 GLN A 161 -4.587 4.815 6.454 1.00 0.35 H new ATOM 0 HB3 GLN A 161 -4.086 4.364 8.071 1.00 0.35 H new ATOM 0 HG2 GLN A 161 -1.679 4.474 7.254 1.00 1.08 H new ATOM 0 HG3 GLN A 161 -2.289 5.148 5.756 1.00 1.08 H new ATOM 0 HE21 GLN A 161 -4.499 6.606 7.158 1.00 1.46 H new ATOM 0 HE22 GLN A 161 -3.716 7.988 7.933 1.00 1.46 H new ATOM 745 N TRP A 162 -1.638 2.009 5.883 1.00 0.39 N ATOM 746 CA TRP A 162 -0.462 1.171 5.891 1.00 0.47 C ATOM 747 C TRP A 162 0.599 1.878 5.107 1.00 0.50 C ATOM 748 O TRP A 162 0.358 2.943 4.590 1.00 0.47 O ATOM 749 CB TRP A 162 -0.724 -0.199 5.274 1.00 0.50 C ATOM 750 CG TRP A 162 -2.075 -0.755 5.635 1.00 0.47 C ATOM 751 CD1 TRP A 162 -3.296 -0.297 5.205 1.00 0.43 C ATOM 752 CD2 TRP A 162 -2.345 -1.860 6.505 1.00 0.53 C ATOM 753 NE1 TRP A 162 -4.300 -1.017 5.800 1.00 0.47 N ATOM 754 CE2 TRP A 162 -3.745 -1.995 6.583 1.00 0.52 C ATOM 755 CE3 TRP A 162 -1.542 -2.744 7.231 1.00 0.62 C ATOM 756 CZ2 TRP A 162 -4.356 -2.978 7.357 1.00 0.60 C ATOM 757 CZ3 TRP A 162 -2.151 -3.718 7.999 1.00 0.68 C ATOM 758 CH2 TRP A 162 -3.545 -3.829 8.056 1.00 0.67 C ATOM 0 H TRP A 162 -1.802 2.465 4.985 1.00 0.39 H new ATOM 0 HA TRP A 162 -0.156 1.000 6.923 1.00 0.47 H new ATOM 0 HB2 TRP A 162 -0.645 -0.124 4.189 1.00 0.50 H new ATOM 0 HB3 TRP A 162 0.049 -0.894 5.603 1.00 0.50 H new ATOM 0 HD1 TRP A 162 -3.444 0.510 4.503 1.00 0.43 H new ATOM 0 HE1 TRP A 162 -5.299 -0.851 5.679 1.00 0.47 H new ATOM 0 HE3 TRP A 162 -0.465 -2.667 7.192 1.00 0.62 H new ATOM 0 HZ2 TRP A 162 -5.431 -3.065 7.404 1.00 0.60 H new ATOM 0 HZ3 TRP A 162 -1.541 -4.406 8.565 1.00 0.68 H new ATOM 0 HH2 TRP A 162 -3.989 -4.603 8.665 1.00 0.67 H new ATOM 769 N GLY A 163 1.781 1.359 5.103 1.00 0.58 N ATOM 770 CA GLY A 163 2.828 1.992 4.374 1.00 0.63 C ATOM 771 C GLY A 163 4.156 1.334 4.621 1.00 0.62 C ATOM 772 O GLY A 163 4.221 0.207 5.092 1.00 0.63 O ATOM 0 H GLY A 163 2.045 0.504 5.593 1.00 0.58 H new ATOM 0 HA2 GLY A 163 2.599 1.961 3.309 1.00 0.63 H new ATOM 0 HA3 GLY A 163 2.885 3.043 4.658 1.00 0.63 H new ATOM 776 N GLY A 164 5.211 2.046 4.327 1.00 0.66 N ATOM 777 CA GLY A 164 6.535 1.561 4.613 1.00 0.66 C ATOM 778 C GLY A 164 7.501 2.696 4.736 1.00 0.63 C ATOM 779 O GLY A 164 7.239 3.791 4.241 1.00 0.69 O ATOM 0 H GLY A 164 5.179 2.966 3.888 1.00 0.66 H new ATOM 0 HA2 GLY A 164 6.524 0.985 5.538 1.00 0.66 H new ATOM 0 HA3 GLY A 164 6.859 0.886 3.821 1.00 0.66 H new ATOM 783 N VAL A 165 8.623 2.438 5.369 1.00 0.61 N ATOM 784 CA VAL A 165 9.542 3.482 5.692 1.00 0.59 C ATOM 785 C VAL A 165 10.962 3.029 5.385 1.00 0.60 C ATOM 786 O VAL A 165 11.367 1.911 5.706 1.00 0.78 O ATOM 787 CB VAL A 165 9.387 3.912 7.168 1.00 0.73 C ATOM 788 CG1 VAL A 165 9.899 2.845 8.122 1.00 0.96 C ATOM 789 CG2 VAL A 165 10.075 5.246 7.422 1.00 0.88 C ATOM 0 H VAL A 165 8.913 1.507 5.667 1.00 0.61 H new ATOM 0 HA VAL A 165 9.322 4.356 5.078 1.00 0.59 H new ATOM 0 HB VAL A 165 8.321 4.037 7.361 1.00 0.73 H new ATOM 0 HG11 VAL A 165 9.773 3.185 9.150 1.00 0.96 H new ATOM 0 HG12 VAL A 165 9.336 1.923 7.973 1.00 0.96 H new ATOM 0 HG13 VAL A 165 10.956 2.660 7.928 1.00 0.96 H new ATOM 0 HG21 VAL A 165 9.951 5.526 8.468 1.00 0.88 H new ATOM 0 HG22 VAL A 165 11.137 5.157 7.194 1.00 0.88 H new ATOM 0 HG23 VAL A 165 9.630 6.012 6.786 1.00 0.88 H new ATOM 799 N PHE A 166 11.666 3.881 4.698 1.00 0.55 N ATOM 800 CA PHE A 166 13.016 3.665 4.295 1.00 0.61 C ATOM 801 C PHE A 166 13.829 4.863 4.740 1.00 0.61 C ATOM 802 O PHE A 166 13.291 5.896 5.115 1.00 0.84 O ATOM 803 CB PHE A 166 13.060 3.490 2.777 1.00 1.00 C ATOM 804 CG PHE A 166 12.441 2.200 2.323 1.00 1.66 C ATOM 805 CD1 PHE A 166 13.184 1.032 2.297 1.00 1.99 C ATOM 806 CD2 PHE A 166 11.111 2.152 1.936 1.00 2.17 C ATOM 807 CE1 PHE A 166 12.614 -0.159 1.893 1.00 2.71 C ATOM 808 CE2 PHE A 166 10.536 0.964 1.529 1.00 2.96 C ATOM 809 CZ PHE A 166 11.290 -0.193 1.508 1.00 3.19 C ATOM 0 H PHE A 166 11.295 4.781 4.393 1.00 0.55 H new ATOM 0 HA PHE A 166 13.431 2.765 4.748 1.00 0.61 H new ATOM 0 HB2 PHE A 166 12.540 4.323 2.304 1.00 1.00 H new ATOM 0 HB3 PHE A 166 14.096 3.529 2.441 1.00 1.00 H new ATOM 0 HD1 PHE A 166 14.222 1.053 2.596 1.00 1.99 H new ATOM 0 HD2 PHE A 166 10.517 3.054 1.953 1.00 2.17 H new ATOM 0 HE1 PHE A 166 13.204 -1.063 1.878 1.00 2.71 H new ATOM 0 HE2 PHE A 166 9.499 0.940 1.228 1.00 2.96 H new ATOM 0 HZ PHE A 166 10.843 -1.124 1.190 1.00 3.19 H new ATOM 819 N TYR A 167 15.105 4.710 4.782 1.00 0.74 N ATOM 820 CA TYR A 167 15.956 5.817 5.127 1.00 1.06 C ATOM 821 C TYR A 167 16.535 6.477 3.920 1.00 0.98 C ATOM 822 O TYR A 167 17.112 7.561 4.020 1.00 1.22 O ATOM 823 CB TYR A 167 17.013 5.417 6.142 1.00 1.45 C ATOM 824 CG TYR A 167 16.491 5.580 7.541 1.00 2.10 C ATOM 825 CD1 TYR A 167 16.092 4.467 8.255 1.00 2.48 C ATOM 826 CD2 TYR A 167 16.435 6.821 8.163 1.00 2.87 C ATOM 827 CE1 TYR A 167 15.650 4.573 9.558 1.00 3.52 C ATOM 828 CE2 TYR A 167 15.988 6.943 9.466 1.00 3.88 C ATOM 829 CZ TYR A 167 15.453 5.947 10.091 1.00 4.19 C ATOM 830 OH TYR A 167 15.167 5.926 11.464 1.00 5.30 O ATOM 0 H TYR A 167 15.592 3.836 4.584 1.00 0.74 H new ATOM 0 HA TYR A 167 15.331 6.568 5.610 1.00 1.06 H new ATOM 0 HB2 TYR A 167 17.310 4.381 5.977 1.00 1.45 H new ATOM 0 HB3 TYR A 167 17.905 6.029 6.007 1.00 1.45 H new ATOM 0 HD1 TYR A 167 16.127 3.495 7.785 1.00 2.48 H new ATOM 0 HD2 TYR A 167 16.745 7.703 7.622 1.00 2.87 H new ATOM 0 HE1 TYR A 167 15.456 3.699 10.162 1.00 3.52 H new ATOM 0 HE2 TYR A 167 16.088 7.892 9.972 1.00 3.88 H new ATOM 0 HH TYR A 167 15.044 6.843 11.787 1.00 5.30 H new ATOM 840 N ALA A 168 16.391 5.844 2.781 1.00 0.72 N ATOM 841 CA ALA A 168 17.071 6.302 1.631 1.00 0.72 C ATOM 842 C ALA A 168 16.463 5.716 0.387 1.00 0.54 C ATOM 843 O ALA A 168 15.646 4.792 0.440 1.00 0.67 O ATOM 844 CB ALA A 168 18.543 5.958 1.755 1.00 1.03 C ATOM 0 H ALA A 168 15.810 5.017 2.643 1.00 0.72 H new ATOM 0 HA ALA A 168 16.974 7.385 1.552 1.00 0.72 H new ATOM 0 HB1 ALA A 168 19.074 6.309 0.870 1.00 1.03 H new ATOM 0 HB2 ALA A 168 18.956 6.440 2.641 1.00 1.03 H new ATOM 0 HB3 ALA A 168 18.658 4.878 1.843 1.00 1.03 H new ATOM 850 N GLU A 169 16.871 6.305 -0.707 1.00 0.55 N ATOM 851 CA GLU A 169 16.695 5.792 -2.083 1.00 0.73 C ATOM 852 C GLU A 169 15.264 5.832 -2.564 1.00 0.54 C ATOM 853 O GLU A 169 14.929 6.608 -3.451 1.00 0.78 O ATOM 854 CB GLU A 169 17.206 4.349 -2.283 1.00 1.19 C ATOM 855 CG GLU A 169 17.967 3.751 -1.113 1.00 1.40 C ATOM 856 CD GLU A 169 18.946 2.680 -1.542 1.00 1.80 C ATOM 857 OE1 GLU A 169 20.155 2.817 -1.257 1.00 2.18 O ATOM 858 OE2 GLU A 169 18.515 1.694 -2.178 1.00 2.02 O ATOM 0 H GLU A 169 17.361 7.199 -0.685 1.00 0.55 H new ATOM 0 HA GLU A 169 17.303 6.478 -2.672 1.00 0.73 H new ATOM 0 HB2 GLU A 169 16.352 3.708 -2.503 1.00 1.19 H new ATOM 0 HB3 GLU A 169 17.852 4.331 -3.160 1.00 1.19 H new ATOM 0 HG2 GLU A 169 18.505 4.543 -0.592 1.00 1.40 H new ATOM 0 HG3 GLU A 169 17.258 3.326 -0.402 1.00 1.40 H new ATOM 865 N ILE A 170 14.457 5.008 -1.931 1.00 0.56 N ATOM 866 CA ILE A 170 13.164 4.560 -2.435 1.00 0.54 C ATOM 867 C ILE A 170 12.334 5.654 -3.150 1.00 0.55 C ATOM 868 O ILE A 170 11.506 6.350 -2.588 1.00 0.65 O ATOM 869 CB ILE A 170 12.403 3.821 -1.278 1.00 0.67 C ATOM 870 CG1 ILE A 170 12.300 2.334 -1.593 1.00 0.97 C ATOM 871 CG2 ILE A 170 11.027 4.378 -0.943 1.00 0.83 C ATOM 872 CD1 ILE A 170 13.626 1.609 -1.544 1.00 1.07 C ATOM 0 H ILE A 170 14.686 4.614 -1.018 1.00 0.56 H new ATOM 0 HA ILE A 170 13.339 3.852 -3.245 1.00 0.54 H new ATOM 0 HB ILE A 170 13.004 3.993 -0.385 1.00 0.67 H new ATOM 0 HG12 ILE A 170 11.615 1.868 -0.885 1.00 0.97 H new ATOM 0 HG13 ILE A 170 11.865 2.211 -2.585 1.00 0.97 H new ATOM 0 HG21 ILE A 170 10.587 3.798 -0.132 1.00 0.83 H new ATOM 0 HG22 ILE A 170 11.121 5.419 -0.634 1.00 0.83 H new ATOM 0 HG23 ILE A 170 10.386 4.317 -1.822 1.00 0.83 H new ATOM 0 HD11 ILE A 170 13.474 0.556 -1.779 1.00 1.07 H new ATOM 0 HD12 ILE A 170 14.308 2.048 -2.272 1.00 1.07 H new ATOM 0 HD13 ILE A 170 14.054 1.700 -0.546 1.00 1.07 H new ATOM 884 N LYS A 171 12.583 5.813 -4.435 1.00 0.67 N ATOM 885 CA LYS A 171 11.666 6.568 -5.267 1.00 0.79 C ATOM 886 C LYS A 171 10.751 5.560 -5.885 1.00 0.84 C ATOM 887 O LYS A 171 9.793 5.870 -6.589 1.00 0.92 O ATOM 888 CB LYS A 171 12.416 7.287 -6.376 1.00 1.11 C ATOM 889 CG LYS A 171 13.911 7.305 -6.159 1.00 1.14 C ATOM 890 CD LYS A 171 14.603 8.318 -7.055 1.00 1.48 C ATOM 891 CE LYS A 171 14.076 9.723 -6.801 1.00 1.91 C ATOM 892 NZ LYS A 171 14.829 10.757 -7.557 1.00 2.68 N ATOM 0 H LYS A 171 13.398 5.437 -4.920 1.00 0.67 H new ATOM 0 HA LYS A 171 11.134 7.315 -4.678 1.00 0.79 H new ATOM 0 HB2 LYS A 171 12.198 6.803 -7.328 1.00 1.11 H new ATOM 0 HB3 LYS A 171 12.052 8.312 -6.449 1.00 1.11 H new ATOM 0 HG2 LYS A 171 14.123 7.539 -5.116 1.00 1.14 H new ATOM 0 HG3 LYS A 171 14.318 6.312 -6.352 1.00 1.14 H new ATOM 0 HD2 LYS A 171 15.678 8.292 -6.877 1.00 1.48 H new ATOM 0 HD3 LYS A 171 14.447 8.051 -8.100 1.00 1.48 H new ATOM 0 HE2 LYS A 171 13.023 9.769 -7.079 1.00 1.91 H new ATOM 0 HE3 LYS A 171 14.134 9.942 -5.735 1.00 1.91 H new ATOM 0 HZ1 LYS A 171 14.432 11.696 -7.350 1.00 2.68 H new ATOM 0 HZ2 LYS A 171 15.830 10.734 -7.274 1.00 2.68 H new ATOM 0 HZ3 LYS A 171 14.753 10.566 -8.576 1.00 2.68 H new ATOM 906 N SER A 172 11.104 4.335 -5.598 1.00 0.92 N ATOM 907 CA SER A 172 10.373 3.188 -6.006 1.00 1.13 C ATOM 908 C SER A 172 9.097 3.023 -5.181 1.00 1.05 C ATOM 909 O SER A 172 8.024 2.813 -5.729 1.00 1.12 O ATOM 910 CB SER A 172 11.330 2.011 -5.897 1.00 1.45 C ATOM 911 OG SER A 172 10.912 1.051 -4.943 1.00 1.86 O ATOM 0 H SER A 172 11.938 4.112 -5.055 1.00 0.92 H new ATOM 0 HA SER A 172 10.020 3.273 -7.034 1.00 1.13 H new ATOM 0 HB2 SER A 172 11.422 1.532 -6.872 1.00 1.45 H new ATOM 0 HB3 SER A 172 12.320 2.378 -5.627 1.00 1.45 H new ATOM 0 HG SER A 172 11.032 0.151 -5.311 1.00 1.86 H new ATOM 917 N SER A 173 9.223 3.146 -3.858 1.00 1.00 N ATOM 918 CA SER A 173 8.070 3.206 -2.967 1.00 1.09 C ATOM 919 C SER A 173 7.494 4.609 -2.951 1.00 0.94 C ATOM 920 O SER A 173 6.426 4.862 -2.414 1.00 1.14 O ATOM 921 CB SER A 173 8.435 2.744 -1.566 1.00 1.24 C ATOM 922 OG SER A 173 8.838 1.387 -1.574 1.00 1.47 O ATOM 0 H SER A 173 10.122 3.206 -3.380 1.00 1.00 H new ATOM 0 HA SER A 173 7.306 2.526 -3.344 1.00 1.09 H new ATOM 0 HB2 SER A 173 9.239 3.365 -1.171 1.00 1.24 H new ATOM 0 HB3 SER A 173 7.580 2.870 -0.902 1.00 1.24 H new ATOM 0 HG SER A 173 9.334 1.188 -0.753 1.00 1.47 H new ATOM 928 N CYS A 174 8.239 5.515 -3.543 1.00 0.76 N ATOM 929 CA CYS A 174 7.779 6.861 -3.789 1.00 0.85 C ATOM 930 C CYS A 174 6.914 6.786 -5.020 1.00 0.73 C ATOM 931 O CYS A 174 6.250 7.722 -5.437 1.00 0.88 O ATOM 932 CB CYS A 174 8.988 7.755 -4.025 1.00 1.09 C ATOM 933 SG CYS A 174 8.668 9.531 -4.104 1.00 1.63 S ATOM 0 H CYS A 174 9.189 5.336 -3.869 1.00 0.76 H new ATOM 0 HA CYS A 174 7.216 7.273 -2.952 1.00 0.85 H new ATOM 0 HB2 CYS A 174 9.709 7.573 -3.228 1.00 1.09 H new ATOM 0 HB3 CYS A 174 9.461 7.451 -4.959 1.00 1.09 H new ATOM 0 HG CYS A 174 7.414 9.734 -4.378 1.00 1.63 H new ATOM 939 N ALA A 175 6.994 5.652 -5.639 1.00 0.63 N ATOM 940 CA ALA A 175 6.050 5.304 -6.651 1.00 0.66 C ATOM 941 C ALA A 175 4.981 4.407 -6.064 1.00 0.59 C ATOM 942 O ALA A 175 5.246 3.285 -5.643 1.00 0.65 O ATOM 943 CB ALA A 175 6.762 4.691 -7.830 1.00 0.80 C ATOM 0 H ALA A 175 7.709 4.947 -5.460 1.00 0.63 H new ATOM 0 HA ALA A 175 5.545 6.196 -7.023 1.00 0.66 H new ATOM 0 HB1 ALA A 175 6.034 4.428 -8.598 1.00 0.80 H new ATOM 0 HB2 ALA A 175 7.476 5.407 -8.236 1.00 0.80 H new ATOM 0 HB3 ALA A 175 7.291 3.794 -7.509 1.00 0.80 H new ATOM 949 N LYS A 176 3.774 4.916 -6.031 1.00 0.60 N ATOM 950 CA LYS A 176 2.656 4.198 -5.472 1.00 0.59 C ATOM 951 C LYS A 176 1.427 4.470 -6.320 1.00 0.53 C ATOM 952 O LYS A 176 1.073 5.629 -6.531 1.00 0.66 O ATOM 953 CB LYS A 176 2.399 4.655 -4.049 1.00 0.83 C ATOM 954 CG LYS A 176 3.610 4.541 -3.142 1.00 0.84 C ATOM 955 CD LYS A 176 3.865 3.108 -2.706 1.00 1.59 C ATOM 956 CE LYS A 176 2.819 2.621 -1.719 1.00 2.27 C ATOM 957 NZ LYS A 176 2.841 3.386 -0.445 1.00 2.95 N ATOM 0 H LYS A 176 3.539 5.841 -6.391 1.00 0.60 H new ATOM 0 HA LYS A 176 2.878 3.131 -5.463 1.00 0.59 H new ATOM 0 HB2 LYS A 176 2.065 5.692 -4.065 1.00 0.83 H new ATOM 0 HB3 LYS A 176 1.585 4.064 -3.629 1.00 0.83 H new ATOM 0 HG2 LYS A 176 4.489 4.923 -3.662 1.00 0.84 H new ATOM 0 HG3 LYS A 176 3.463 5.167 -2.262 1.00 0.84 H new ATOM 0 HD2 LYS A 176 3.869 2.458 -3.581 1.00 1.59 H new ATOM 0 HD3 LYS A 176 4.853 3.037 -2.252 1.00 1.59 H new ATOM 0 HE2 LYS A 176 1.831 2.703 -2.172 1.00 2.27 H new ATOM 0 HE3 LYS A 176 2.987 1.565 -1.508 1.00 2.27 H new ATOM 0 HZ1 LYS A 176 2.077 3.050 0.175 1.00 2.95 H new ATOM 0 HZ2 LYS A 176 3.757 3.247 0.028 1.00 2.95 H new ATOM 0 HZ3 LYS A 176 2.705 4.397 -0.645 1.00 2.95 H new ATOM 971 N VAL A 177 0.780 3.441 -6.804 1.00 0.43 N ATOM 972 CA VAL A 177 -0.408 3.631 -7.625 1.00 0.41 C ATOM 973 C VAL A 177 -1.593 2.912 -7.041 1.00 0.37 C ATOM 974 O VAL A 177 -1.448 1.825 -6.508 1.00 0.41 O ATOM 975 CB VAL A 177 -0.207 3.174 -9.081 1.00 0.49 C ATOM 976 CG1 VAL A 177 -1.389 3.592 -9.939 1.00 0.68 C ATOM 977 CG2 VAL A 177 1.099 3.707 -9.655 1.00 0.77 C ATOM 0 H VAL A 177 1.045 2.468 -6.651 1.00 0.43 H new ATOM 0 HA VAL A 177 -0.596 4.705 -7.632 1.00 0.41 H new ATOM 0 HB VAL A 177 -0.147 2.086 -9.086 1.00 0.49 H new ATOM 0 HG11 VAL A 177 -1.229 3.260 -10.965 1.00 0.68 H new ATOM 0 HG12 VAL A 177 -2.300 3.139 -9.549 1.00 0.68 H new ATOM 0 HG13 VAL A 177 -1.487 4.677 -9.920 1.00 0.68 H new ATOM 0 HG21 VAL A 177 1.210 3.366 -10.684 1.00 0.77 H new ATOM 0 HG22 VAL A 177 1.088 4.797 -9.633 1.00 0.77 H new ATOM 0 HG23 VAL A 177 1.935 3.340 -9.059 1.00 0.77 H new ATOM 987 N GLN A 178 -2.766 3.517 -7.133 1.00 0.38 N ATOM 988 CA GLN A 178 -3.946 2.898 -6.590 1.00 0.37 C ATOM 989 C GLN A 178 -5.041 2.768 -7.620 1.00 0.33 C ATOM 990 O GLN A 178 -5.236 3.641 -8.467 1.00 0.40 O ATOM 991 CB GLN A 178 -4.512 3.698 -5.432 1.00 0.48 C ATOM 992 CG GLN A 178 -5.041 2.841 -4.289 1.00 0.64 C ATOM 993 CD GLN A 178 -3.964 2.447 -3.298 1.00 1.70 C ATOM 994 OE1 GLN A 178 -4.027 1.387 -2.682 1.00 2.52 O ATOM 995 NE2 GLN A 178 -2.975 3.306 -3.125 1.00 2.30 N ATOM 0 H GLN A 178 -2.918 4.424 -7.574 1.00 0.38 H new ATOM 0 HA GLN A 178 -3.630 1.910 -6.254 1.00 0.37 H new ATOM 0 HB2 GLN A 178 -3.736 4.360 -5.047 1.00 0.48 H new ATOM 0 HB3 GLN A 178 -5.318 4.332 -5.801 1.00 0.48 H new ATOM 0 HG2 GLN A 178 -5.826 3.387 -3.766 1.00 0.64 H new ATOM 0 HG3 GLN A 178 -5.498 1.940 -4.699 1.00 0.64 H new ATOM 0 HE21 GLN A 178 -2.957 4.177 -3.656 1.00 2.30 H new ATOM 0 HE22 GLN A 178 -2.229 3.098 -2.461 1.00 2.30 H new ATOM 1004 N THR A 179 -5.753 1.671 -7.519 1.00 0.32 N ATOM 1005 CA THR A 179 -6.997 1.500 -8.219 1.00 0.32 C ATOM 1006 C THR A 179 -8.130 1.778 -7.248 1.00 0.31 C ATOM 1007 O THR A 179 -8.182 1.180 -6.174 1.00 0.30 O ATOM 1008 CB THR A 179 -7.135 0.060 -8.739 1.00 0.33 C ATOM 1009 OG1 THR A 179 -6.020 -0.268 -9.577 1.00 0.36 O ATOM 1010 CG2 THR A 179 -8.432 -0.128 -9.511 1.00 0.42 C ATOM 0 H THR A 179 -5.482 0.871 -6.947 1.00 0.32 H new ATOM 0 HA THR A 179 -7.028 2.183 -9.068 1.00 0.32 H new ATOM 0 HB THR A 179 -7.152 -0.607 -7.877 1.00 0.33 H new ATOM 0 HG1 THR A 179 -6.115 -1.187 -9.903 1.00 0.36 H new ATOM 0 HG21 THR A 179 -8.499 -1.157 -9.865 1.00 0.42 H new ATOM 0 HG22 THR A 179 -9.278 0.087 -8.858 1.00 0.42 H new ATOM 0 HG23 THR A 179 -8.450 0.551 -10.364 1.00 0.42 H new ATOM 1018 N ARG A 180 -9.009 2.697 -7.602 1.00 0.38 N ATOM 1019 CA ARG A 180 -10.193 2.948 -6.814 1.00 0.44 C ATOM 1020 C ARG A 180 -11.327 3.396 -7.717 1.00 0.55 C ATOM 1021 O ARG A 180 -11.117 4.171 -8.651 1.00 0.64 O ATOM 1022 CB ARG A 180 -9.918 3.991 -5.727 1.00 0.60 C ATOM 1023 CG ARG A 180 -9.554 5.382 -6.237 1.00 0.95 C ATOM 1024 CD ARG A 180 -8.108 5.478 -6.713 1.00 1.44 C ATOM 1025 NE ARG A 180 -7.694 6.868 -6.914 1.00 1.98 N ATOM 1026 CZ ARG A 180 -6.568 7.241 -7.528 1.00 2.68 C ATOM 1027 NH1 ARG A 180 -5.757 6.337 -8.061 1.00 3.12 N ATOM 1028 NH2 ARG A 180 -6.258 8.527 -7.623 1.00 3.41 N ATOM 0 H ARG A 180 -8.922 3.282 -8.433 1.00 0.38 H new ATOM 0 HA ARG A 180 -10.484 2.022 -6.317 1.00 0.44 H new ATOM 0 HB2 ARG A 180 -10.801 4.074 -5.094 1.00 0.60 H new ATOM 0 HB3 ARG A 180 -9.106 3.629 -5.096 1.00 0.60 H new ATOM 0 HG2 ARG A 180 -10.220 5.649 -7.057 1.00 0.95 H new ATOM 0 HG3 ARG A 180 -9.719 6.110 -5.443 1.00 0.95 H new ATOM 0 HD2 ARG A 180 -7.452 5.005 -5.982 1.00 1.44 H new ATOM 0 HD3 ARG A 180 -7.995 4.926 -7.646 1.00 1.44 H new ATOM 0 HE ARG A 180 -8.308 7.602 -6.561 1.00 1.98 H new ATOM 0 HH11 ARG A 180 -5.991 5.346 -8.004 1.00 3.12 H new ATOM 0 HH12 ARG A 180 -4.900 6.633 -8.528 1.00 3.12 H new ATOM 0 HH21 ARG A 180 -6.880 9.232 -7.227 1.00 3.41 H new ATOM 0 HH22 ARG A 180 -5.398 8.811 -8.092 1.00 3.41 H new ATOM 1042 N LYS A 181 -12.522 2.907 -7.417 1.00 0.61 N ATOM 1043 CA LYS A 181 -13.701 3.135 -8.244 1.00 0.75 C ATOM 1044 C LYS A 181 -14.861 2.317 -7.701 1.00 0.71 C ATOM 1045 O LYS A 181 -15.990 2.793 -7.605 1.00 0.89 O ATOM 1046 CB LYS A 181 -13.415 2.738 -9.699 1.00 0.91 C ATOM 1047 CG LYS A 181 -13.029 1.276 -9.867 1.00 0.92 C ATOM 1048 CD LYS A 181 -12.114 1.076 -11.063 1.00 1.36 C ATOM 1049 CE LYS A 181 -11.805 -0.394 -11.297 1.00 1.64 C ATOM 1050 NZ LYS A 181 -13.014 -1.154 -11.705 1.00 2.13 N ATOM 0 H LYS A 181 -12.703 2.338 -6.590 1.00 0.61 H new ATOM 0 HA LYS A 181 -13.958 4.194 -8.218 1.00 0.75 H new ATOM 0 HB2 LYS A 181 -14.299 2.944 -10.303 1.00 0.91 H new ATOM 0 HB3 LYS A 181 -12.611 3.364 -10.086 1.00 0.91 H new ATOM 0 HG2 LYS A 181 -12.531 0.924 -8.964 1.00 0.92 H new ATOM 0 HG3 LYS A 181 -13.929 0.673 -9.991 1.00 0.92 H new ATOM 0 HD2 LYS A 181 -12.583 1.495 -11.953 1.00 1.36 H new ATOM 0 HD3 LYS A 181 -11.184 1.622 -10.905 1.00 1.36 H new ATOM 0 HE2 LYS A 181 -11.040 -0.486 -12.068 1.00 1.64 H new ATOM 0 HE3 LYS A 181 -11.393 -0.828 -10.386 1.00 1.64 H new ATOM 0 HZ1 LYS A 181 -12.733 -2.094 -12.050 1.00 2.13 H new ATOM 0 HZ2 LYS A 181 -13.649 -1.260 -10.888 1.00 2.13 H new ATOM 0 HZ3 LYS A 181 -13.507 -0.641 -12.463 1.00 2.13 H new ATOM 1064 N GLY A 182 -14.556 1.082 -7.335 1.00 0.64 N ATOM 1065 CA GLY A 182 -15.558 0.183 -6.828 1.00 0.73 C ATOM 1066 C GLY A 182 -15.501 0.074 -5.330 1.00 0.65 C ATOM 1067 O GLY A 182 -15.555 1.074 -4.628 1.00 0.78 O ATOM 0 H GLY A 182 -13.617 0.687 -7.383 1.00 0.64 H new ATOM 0 HA2 GLY A 182 -16.546 0.531 -7.130 1.00 0.73 H new ATOM 0 HA3 GLY A 182 -15.419 -0.804 -7.270 1.00 0.73 H new ATOM 1071 N SER A 183 -15.429 -1.143 -4.843 1.00 0.61 N ATOM 1072 CA SER A 183 -15.234 -1.384 -3.420 1.00 0.70 C ATOM 1073 C SER A 183 -13.817 -1.877 -3.136 1.00 0.66 C ATOM 1074 O SER A 183 -13.532 -2.381 -2.049 1.00 0.81 O ATOM 1075 CB SER A 183 -16.274 -2.383 -2.908 1.00 0.88 C ATOM 1076 OG SER A 183 -17.589 -1.923 -3.184 1.00 1.60 O ATOM 0 H SER A 183 -15.502 -1.989 -5.408 1.00 0.61 H new ATOM 0 HA SER A 183 -15.367 -0.441 -2.889 1.00 0.70 H new ATOM 0 HB2 SER A 183 -16.116 -3.353 -3.379 1.00 0.88 H new ATOM 0 HB3 SER A 183 -16.151 -2.526 -1.834 1.00 0.88 H new ATOM 0 HG SER A 183 -18.240 -2.575 -2.851 1.00 1.60 H new ATOM 1082 N LEU A 184 -12.935 -1.738 -4.118 1.00 0.53 N ATOM 1083 CA LEU A 184 -11.598 -2.306 -4.021 1.00 0.51 C ATOM 1084 C LEU A 184 -10.521 -1.248 -4.268 1.00 0.39 C ATOM 1085 O LEU A 184 -10.672 -0.374 -5.126 1.00 0.43 O ATOM 1086 CB LEU A 184 -11.431 -3.480 -5.003 1.00 0.68 C ATOM 1087 CG LEU A 184 -11.229 -3.122 -6.486 1.00 1.14 C ATOM 1088 CD1 LEU A 184 -11.045 -4.387 -7.305 1.00 1.80 C ATOM 1089 CD2 LEU A 184 -12.395 -2.312 -7.032 1.00 2.15 C ATOM 0 H LEU A 184 -13.121 -1.238 -4.988 1.00 0.53 H new ATOM 0 HA LEU A 184 -11.474 -2.681 -3.005 1.00 0.51 H new ATOM 0 HB2 LEU A 184 -10.578 -4.076 -4.678 1.00 0.68 H new ATOM 0 HB3 LEU A 184 -12.312 -4.116 -4.924 1.00 0.68 H new ATOM 0 HG LEU A 184 -10.333 -2.506 -6.561 1.00 1.14 H new ATOM 0 HD11 LEU A 184 -10.903 -4.124 -8.353 1.00 1.80 H new ATOM 0 HD12 LEU A 184 -10.171 -4.930 -6.945 1.00 1.80 H new ATOM 0 HD13 LEU A 184 -11.929 -5.017 -7.206 1.00 1.80 H new ATOM 0 HD21 LEU A 184 -12.216 -2.078 -8.081 1.00 2.15 H new ATOM 0 HD22 LEU A 184 -13.314 -2.891 -6.941 1.00 2.15 H new ATOM 0 HD23 LEU A 184 -12.492 -1.386 -6.465 1.00 2.15 H new ATOM 1101 N LEU A 185 -9.448 -1.344 -3.496 1.00 0.32 N ATOM 1102 CA LEU A 185 -8.320 -0.441 -3.577 1.00 0.30 C ATOM 1103 C LEU A 185 -7.082 -1.250 -3.916 1.00 0.29 C ATOM 1104 O LEU A 185 -6.900 -2.341 -3.403 1.00 0.48 O ATOM 1105 CB LEU A 185 -8.113 0.273 -2.242 1.00 0.38 C ATOM 1106 CG LEU A 185 -9.378 0.835 -1.600 1.00 0.55 C ATOM 1107 CD1 LEU A 185 -9.037 1.533 -0.297 1.00 0.99 C ATOM 1108 CD2 LEU A 185 -10.083 1.784 -2.551 1.00 1.07 C ATOM 0 H LEU A 185 -9.340 -2.067 -2.784 1.00 0.32 H new ATOM 0 HA LEU A 185 -8.507 0.309 -4.345 1.00 0.30 H new ATOM 0 HB2 LEU A 185 -7.650 -0.424 -1.544 1.00 0.38 H new ATOM 0 HB3 LEU A 185 -7.407 1.090 -2.391 1.00 0.38 H new ATOM 0 HG LEU A 185 -10.056 0.010 -1.383 1.00 0.55 H new ATOM 0 HD11 LEU A 185 -9.947 1.930 0.152 1.00 0.99 H new ATOM 0 HD12 LEU A 185 -8.575 0.821 0.387 1.00 0.99 H new ATOM 0 HD13 LEU A 185 -8.343 2.350 -0.493 1.00 0.99 H new ATOM 0 HD21 LEU A 185 -10.983 2.174 -2.075 1.00 1.07 H new ATOM 0 HD22 LEU A 185 -9.417 2.610 -2.801 1.00 1.07 H new ATOM 0 HD23 LEU A 185 -10.356 1.250 -3.461 1.00 1.07 H new ATOM 1120 N HIS A 186 -6.284 -0.749 -4.822 1.00 0.27 N ATOM 1121 CA HIS A 186 -5.097 -1.458 -5.291 1.00 0.30 C ATOM 1122 C HIS A 186 -3.861 -0.603 -5.151 1.00 0.40 C ATOM 1123 O HIS A 186 -3.804 0.427 -5.767 1.00 0.67 O ATOM 1124 CB HIS A 186 -5.254 -1.723 -6.765 1.00 0.44 C ATOM 1125 CG HIS A 186 -6.089 -2.906 -7.127 1.00 0.67 C ATOM 1126 ND1 HIS A 186 -5.560 -4.043 -7.692 1.00 1.18 N ATOM 1127 CD2 HIS A 186 -7.422 -3.110 -7.053 1.00 1.54 C ATOM 1128 CE1 HIS A 186 -6.531 -4.892 -7.956 1.00 1.51 C ATOM 1129 NE2 HIS A 186 -7.675 -4.354 -7.577 1.00 1.79 N ATOM 0 H HIS A 186 -6.428 0.160 -5.262 1.00 0.27 H new ATOM 0 HA HIS A 186 -4.995 -2.370 -4.703 1.00 0.30 H new ATOM 0 HB2 HIS A 186 -5.690 -0.839 -7.230 1.00 0.44 H new ATOM 0 HB3 HIS A 186 -4.263 -1.855 -7.199 1.00 0.44 H new ATOM 0 HD1 HIS A 186 -4.570 -4.203 -7.878 1.00 1.18 H new ATOM 0 HD2 HIS A 186 -8.154 -2.422 -6.655 1.00 1.54 H new ATOM 0 HE1 HIS A 186 -6.411 -5.866 -8.407 1.00 1.51 H new ATOM 1138 N LEU A 187 -2.860 -1.027 -4.426 1.00 0.32 N ATOM 1139 CA LEU A 187 -1.622 -0.306 -4.414 1.00 0.37 C ATOM 1140 C LEU A 187 -0.634 -1.061 -5.258 1.00 0.36 C ATOM 1141 O LEU A 187 -0.314 -2.208 -4.944 1.00 0.35 O ATOM 1142 CB LEU A 187 -1.103 -0.199 -2.995 1.00 0.43 C ATOM 1143 CG LEU A 187 0.088 0.732 -2.765 1.00 0.55 C ATOM 1144 CD1 LEU A 187 1.385 0.019 -3.097 1.00 1.38 C ATOM 1145 CD2 LEU A 187 -0.055 2.004 -3.587 1.00 1.26 C ATOM 0 H LEU A 187 -2.880 -1.862 -3.841 1.00 0.32 H new ATOM 0 HA LEU A 187 -1.768 0.700 -4.809 1.00 0.37 H new ATOM 0 HB2 LEU A 187 -1.922 0.134 -2.358 1.00 0.43 H new ATOM 0 HB3 LEU A 187 -0.823 -1.198 -2.659 1.00 0.43 H new ATOM 0 HG LEU A 187 0.109 1.013 -1.712 1.00 0.55 H new ATOM 0 HD11 LEU A 187 2.224 0.694 -2.929 1.00 1.38 H new ATOM 0 HD12 LEU A 187 1.491 -0.859 -2.459 1.00 1.38 H new ATOM 0 HD13 LEU A 187 1.373 -0.291 -4.142 1.00 1.38 H new ATOM 0 HD21 LEU A 187 0.803 2.651 -3.408 1.00 1.26 H new ATOM 0 HD22 LEU A 187 -0.103 1.750 -4.646 1.00 1.26 H new ATOM 0 HD23 LEU A 187 -0.968 2.524 -3.297 1.00 1.26 H new ATOM 1157 N THR A 188 -0.173 -0.405 -6.312 1.00 0.39 N ATOM 1158 CA THR A 188 0.831 -0.953 -7.191 1.00 0.44 C ATOM 1159 C THR A 188 2.144 -0.204 -7.004 1.00 0.50 C ATOM 1160 O THR A 188 2.276 0.969 -7.356 1.00 0.55 O ATOM 1161 CB THR A 188 0.371 -0.859 -8.651 1.00 0.51 C ATOM 1162 OG1 THR A 188 -0.367 0.350 -8.856 1.00 0.70 O ATOM 1163 CG2 THR A 188 -0.510 -2.037 -9.020 1.00 0.47 C ATOM 0 H THR A 188 -0.491 0.527 -6.577 1.00 0.39 H new ATOM 0 HA THR A 188 0.982 -2.004 -6.943 1.00 0.44 H new ATOM 0 HB THR A 188 1.260 -0.866 -9.282 1.00 0.51 H new ATOM 0 HG1 THR A 188 -0.381 0.567 -9.812 1.00 0.70 H new ATOM 0 HG21 THR A 188 -0.822 -1.946 -10.060 1.00 0.47 H new ATOM 0 HG22 THR A 188 0.048 -2.964 -8.889 1.00 0.47 H new ATOM 0 HG23 THR A 188 -1.390 -2.049 -8.377 1.00 0.47 H new ATOM 1171 N LEU A 189 3.076 -0.894 -6.395 1.00 0.52 N ATOM 1172 CA LEU A 189 4.332 -0.324 -5.964 1.00 0.58 C ATOM 1173 C LEU A 189 5.531 -1.035 -6.593 1.00 0.61 C ATOM 1174 O LEU A 189 5.723 -2.218 -6.368 1.00 0.67 O ATOM 1175 CB LEU A 189 4.315 -0.430 -4.453 1.00 0.67 C ATOM 1176 CG LEU A 189 5.641 -0.484 -3.724 1.00 0.75 C ATOM 1177 CD1 LEU A 189 6.546 0.646 -4.159 1.00 1.08 C ATOM 1178 CD2 LEU A 189 5.337 -0.357 -2.263 1.00 1.21 C ATOM 0 H LEU A 189 2.983 -1.887 -6.180 1.00 0.52 H new ATOM 0 HA LEU A 189 4.439 0.712 -6.285 1.00 0.58 H new ATOM 0 HB2 LEU A 189 3.757 0.422 -4.066 1.00 0.67 H new ATOM 0 HB3 LEU A 189 3.753 -1.326 -4.188 1.00 0.67 H new ATOM 0 HG LEU A 189 6.157 -1.418 -3.946 1.00 0.75 H new ATOM 0 HD11 LEU A 189 7.491 0.583 -3.620 1.00 1.08 H new ATOM 0 HD12 LEU A 189 6.733 0.570 -5.230 1.00 1.08 H new ATOM 0 HD13 LEU A 189 6.067 1.600 -3.941 1.00 1.08 H new ATOM 0 HD21 LEU A 189 6.266 -0.391 -1.694 1.00 1.21 H new ATOM 0 HD22 LEU A 189 4.832 0.591 -2.078 1.00 1.21 H new ATOM 0 HD23 LEU A 189 4.691 -1.179 -1.953 1.00 1.21 H new ATOM 1190 N PRO A 190 6.362 -0.318 -7.363 1.00 0.66 N ATOM 1191 CA PRO A 190 7.597 -0.879 -7.939 1.00 0.73 C ATOM 1192 C PRO A 190 8.503 -1.495 -6.868 1.00 0.89 C ATOM 1193 O PRO A 190 8.446 -1.118 -5.696 1.00 0.98 O ATOM 1194 CB PRO A 190 8.273 0.341 -8.572 1.00 0.86 C ATOM 1195 CG PRO A 190 7.154 1.280 -8.862 1.00 0.86 C ATOM 1196 CD PRO A 190 6.161 1.085 -7.752 1.00 0.78 C ATOM 0 HA PRO A 190 7.394 -1.686 -8.643 1.00 0.73 H new ATOM 0 HB2 PRO A 190 9.000 0.788 -7.894 1.00 0.86 H new ATOM 0 HB3 PRO A 190 8.809 0.070 -9.481 1.00 0.86 H new ATOM 0 HG2 PRO A 190 7.507 2.311 -8.895 1.00 0.86 H new ATOM 0 HG3 PRO A 190 6.704 1.066 -9.832 1.00 0.86 H new ATOM 0 HD2 PRO A 190 6.349 1.764 -6.920 1.00 0.78 H new ATOM 0 HD3 PRO A 190 5.140 1.267 -8.088 1.00 0.78 H new ATOM 1204 N LYS A 191 9.338 -2.447 -7.275 1.00 1.06 N ATOM 1205 CA LYS A 191 10.155 -3.206 -6.337 1.00 1.32 C ATOM 1206 C LYS A 191 11.013 -2.270 -5.498 1.00 1.50 C ATOM 1207 O LYS A 191 11.739 -1.426 -6.025 1.00 1.61 O ATOM 1208 CB LYS A 191 11.051 -4.187 -7.096 1.00 1.60 C ATOM 1209 CG LYS A 191 11.748 -5.208 -6.208 1.00 1.99 C ATOM 1210 CD LYS A 191 10.766 -6.224 -5.642 1.00 2.64 C ATOM 1211 CE LYS A 191 11.481 -7.310 -4.852 1.00 3.26 C ATOM 1212 NZ LYS A 191 10.542 -8.341 -4.336 1.00 3.64 N ATOM 0 H LYS A 191 9.466 -2.711 -8.252 1.00 1.06 H new ATOM 0 HA LYS A 191 9.492 -3.763 -5.675 1.00 1.32 H new ATOM 0 HB2 LYS A 191 10.449 -4.715 -7.835 1.00 1.60 H new ATOM 0 HB3 LYS A 191 11.806 -3.623 -7.644 1.00 1.60 H new ATOM 0 HG2 LYS A 191 12.517 -5.725 -6.782 1.00 1.99 H new ATOM 0 HG3 LYS A 191 12.253 -4.695 -5.390 1.00 1.99 H new ATOM 0 HD2 LYS A 191 10.047 -5.717 -4.998 1.00 2.64 H new ATOM 0 HD3 LYS A 191 10.200 -6.677 -6.456 1.00 2.64 H new ATOM 0 HE2 LYS A 191 12.228 -7.787 -5.487 1.00 3.26 H new ATOM 0 HE3 LYS A 191 12.015 -6.857 -4.017 1.00 3.26 H new ATOM 0 HZ1 LYS A 191 10.945 -8.783 -3.486 1.00 3.64 H new ATOM 0 HZ2 LYS A 191 9.634 -7.895 -4.096 1.00 3.64 H new ATOM 0 HZ3 LYS A 191 10.389 -9.067 -5.065 1.00 3.64 H new ATOM 1226 N LYS A 192 10.916 -2.427 -4.188 1.00 1.73 N ATOM 1227 CA LYS A 192 11.613 -1.553 -3.261 1.00 2.06 C ATOM 1228 C LYS A 192 12.877 -2.214 -2.718 1.00 2.14 C ATOM 1229 O LYS A 192 13.980 -1.709 -2.911 1.00 2.45 O ATOM 1230 CB LYS A 192 10.664 -1.112 -2.135 1.00 2.43 C ATOM 1231 CG LYS A 192 9.979 -2.244 -1.375 1.00 2.74 C ATOM 1232 CD LYS A 192 8.842 -1.711 -0.513 1.00 3.41 C ATOM 1233 CE LYS A 192 8.207 -2.798 0.345 1.00 4.16 C ATOM 1234 NZ LYS A 192 9.101 -3.242 1.451 1.00 4.71 N ATOM 0 H LYS A 192 10.358 -3.155 -3.742 1.00 1.73 H new ATOM 0 HA LYS A 192 11.934 -0.660 -3.798 1.00 2.06 H new ATOM 0 HB2 LYS A 192 11.228 -0.509 -1.423 1.00 2.43 H new ATOM 0 HB3 LYS A 192 9.896 -0.467 -2.562 1.00 2.43 H new ATOM 0 HG2 LYS A 192 9.592 -2.979 -2.081 1.00 2.74 H new ATOM 0 HG3 LYS A 192 10.707 -2.758 -0.747 1.00 2.74 H new ATOM 0 HD2 LYS A 192 9.219 -0.917 0.131 1.00 3.41 H new ATOM 0 HD3 LYS A 192 8.081 -1.267 -1.154 1.00 3.41 H new ATOM 0 HE2 LYS A 192 7.272 -2.427 0.764 1.00 4.16 H new ATOM 0 HE3 LYS A 192 7.957 -3.653 -0.283 1.00 4.16 H new ATOM 0 HZ1 LYS A 192 8.600 -3.932 2.046 1.00 4.71 H new ATOM 0 HZ2 LYS A 192 9.954 -3.683 1.052 1.00 4.71 H new ATOM 0 HZ3 LYS A 192 9.374 -2.421 2.028 1.00 4.71 H new ATOM 1248 N VAL A 193 12.723 -3.347 -2.052 1.00 2.09 N ATOM 1249 CA VAL A 193 13.865 -4.099 -1.552 1.00 2.30 C ATOM 1250 C VAL A 193 13.740 -5.558 -1.943 1.00 2.34 C ATOM 1251 O VAL A 193 12.870 -6.280 -1.449 1.00 2.29 O ATOM 1252 CB VAL A 193 14.045 -3.966 -0.019 1.00 2.58 C ATOM 1253 CG1 VAL A 193 14.663 -2.619 0.330 1.00 2.90 C ATOM 1254 CG2 VAL A 193 12.718 -4.140 0.707 1.00 2.95 C ATOM 0 H VAL A 193 11.817 -3.768 -1.844 1.00 2.09 H new ATOM 0 HA VAL A 193 14.756 -3.672 -2.012 1.00 2.30 H new ATOM 0 HB VAL A 193 14.718 -4.758 0.309 1.00 2.58 H new ATOM 0 HG11 VAL A 193 14.782 -2.542 1.411 1.00 2.90 H new ATOM 0 HG12 VAL A 193 15.638 -2.531 -0.150 1.00 2.90 H new ATOM 0 HG13 VAL A 193 14.012 -1.818 -0.021 1.00 2.90 H new ATOM 0 HG21 VAL A 193 12.875 -4.042 1.781 1.00 2.95 H new ATOM 0 HG22 VAL A 193 12.017 -3.376 0.371 1.00 2.95 H new ATOM 0 HG23 VAL A 193 12.311 -5.127 0.489 1.00 2.95 H new