USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=16 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 179 THR OG1 : rot 138:sc= 0.422 USER MOD Set 1.2: A 186 HIS : no HD1:sc= -1.63! C(o=-1.2!,f=-2!) USER MOD Set 2.1: A 122 GLN : amide:sc= -8.82! C(o=-7.9!,f=-12!) USER MOD Set 2.2: A 192 LYS NZ :NH3+ 154:sc= 0.905 (180deg=-0.09) USER MOD Single : A 123 SER OG : rot -157:sc= 0.276 USER MOD Single : A 130 LYS NZ :NH3+ -173:sc= 0.483 (180deg=0.459) USER MOD Single : A 139 GLN : amide:sc= -4.03! K(o=-4!,f=0.12) USER MOD Single : A 148 THR OG1 : rot 101:sc= 0.898 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 CYS SG : rot 129:sc= -0.705 USER MOD Single : A 160 GLN : amide:sc= -3.26! K(o=-3.3!,f=-1.1) USER MOD Single : A 161 GLN : amide:sc= -4.34! C(o=-4.3!,f=-1.8!) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.038) USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 CYS SG : rot 69:sc= -4.84! USER MOD Single : A 176 LYS NZ :NH3+ -149:sc= -3.74! (180deg=-4.34!) USER MOD Single : A 178 GLN : amide:sc= -6.63! C(o=-6.6!,f=-15!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 188 THR OG1 : rot -104:sc= -5.32! USER MOD Single : A 191 LYS NZ :NH3+ 160:sc= -0.0838 (180deg=-0.523) USER MOD ----------------------------------------------------------------- ATOM 75 N LEU A 118 -10.117 -8.689 2.725 1.00 1.44 N ATOM 76 CA LEU A 118 -8.853 -7.975 2.866 1.00 1.29 C ATOM 77 C LEU A 118 -7.847 -8.658 1.954 1.00 0.93 C ATOM 78 O LEU A 118 -7.627 -9.860 2.109 1.00 0.99 O ATOM 79 CB LEU A 118 -8.292 -8.059 4.294 1.00 1.74 C ATOM 80 CG LEU A 118 -9.282 -7.917 5.456 1.00 2.42 C ATOM 81 CD1 LEU A 118 -10.076 -9.201 5.664 1.00 3.17 C ATOM 82 CD2 LEU A 118 -8.540 -7.548 6.731 1.00 2.96 C ATOM 0 HA LEU A 118 -9.022 -6.927 2.620 1.00 1.29 H new ATOM 0 HB2 LEU A 118 -7.785 -9.018 4.400 1.00 1.74 H new ATOM 0 HB3 LEU A 118 -7.533 -7.284 4.403 1.00 1.74 H new ATOM 0 HG LEU A 118 -9.985 -7.122 5.207 1.00 2.42 H new ATOM 0 HD11 LEU A 118 -10.769 -9.069 6.495 1.00 3.17 H new ATOM 0 HD12 LEU A 118 -10.635 -9.434 4.758 1.00 3.17 H new ATOM 0 HD13 LEU A 118 -9.392 -10.019 5.889 1.00 3.17 H new ATOM 0 HD21 LEU A 118 -9.252 -7.449 7.551 1.00 2.96 H new ATOM 0 HD22 LEU A 118 -7.817 -8.328 6.970 1.00 2.96 H new ATOM 0 HD23 LEU A 118 -8.018 -6.602 6.588 1.00 2.96 H new ATOM 94 N ASP A 119 -7.233 -7.959 1.014 1.00 0.79 N ATOM 95 CA ASP A 119 -6.264 -8.647 0.166 1.00 0.65 C ATOM 96 C ASP A 119 -5.074 -7.766 -0.165 1.00 0.56 C ATOM 97 O ASP A 119 -5.221 -6.690 -0.716 1.00 0.59 O ATOM 98 CB ASP A 119 -6.948 -9.114 -1.124 1.00 0.84 C ATOM 99 CG ASP A 119 -6.047 -9.966 -1.997 1.00 1.06 C ATOM 100 OD1 ASP A 119 -5.999 -9.737 -3.223 1.00 1.51 O ATOM 101 OD2 ASP A 119 -5.349 -10.848 -1.451 1.00 1.42 O ATOM 0 H ASP A 119 -7.374 -6.967 0.821 1.00 0.79 H new ATOM 0 HA ASP A 119 -5.889 -9.509 0.718 1.00 0.65 H new ATOM 0 HB2 ASP A 119 -7.842 -9.683 -0.869 1.00 0.84 H new ATOM 0 HB3 ASP A 119 -7.276 -8.243 -1.691 1.00 0.84 H new ATOM 106 N TRP A 120 -3.894 -8.279 0.134 1.00 0.54 N ATOM 107 CA TRP A 120 -2.631 -7.637 -0.170 1.00 0.57 C ATOM 108 C TRP A 120 -1.656 -8.703 -0.573 1.00 0.74 C ATOM 109 O TRP A 120 -1.907 -9.895 -0.383 1.00 0.85 O ATOM 110 CB TRP A 120 -2.025 -6.939 1.042 1.00 0.65 C ATOM 111 CG TRP A 120 -3.032 -6.232 1.873 1.00 0.64 C ATOM 112 CD1 TRP A 120 -3.962 -5.355 1.432 1.00 0.60 C ATOM 113 CD2 TRP A 120 -3.227 -6.366 3.283 1.00 0.76 C ATOM 114 NE1 TRP A 120 -4.743 -4.929 2.478 1.00 0.73 N ATOM 115 CE2 TRP A 120 -4.303 -5.534 3.630 1.00 0.82 C ATOM 116 CE3 TRP A 120 -2.594 -7.108 4.286 1.00 0.88 C ATOM 117 CZ2 TRP A 120 -4.763 -5.426 4.938 1.00 0.99 C ATOM 118 CZ3 TRP A 120 -3.052 -6.997 5.584 1.00 1.02 C ATOM 119 CH2 TRP A 120 -4.127 -6.163 5.900 1.00 1.08 C ATOM 0 H TRP A 120 -3.787 -9.176 0.607 1.00 0.54 H new ATOM 0 HA TRP A 120 -2.818 -6.899 -0.950 1.00 0.57 H new ATOM 0 HB2 TRP A 120 -1.508 -7.676 1.657 1.00 0.65 H new ATOM 0 HB3 TRP A 120 -1.275 -6.224 0.704 1.00 0.65 H new ATOM 0 HD1 TRP A 120 -4.074 -5.036 0.406 1.00 0.60 H new ATOM 0 HE1 TRP A 120 -5.521 -4.272 2.411 1.00 0.73 H new ATOM 0 HE3 TRP A 120 -1.763 -7.756 4.050 1.00 0.88 H new ATOM 0 HZ2 TRP A 120 -5.594 -4.782 5.186 1.00 0.99 H new ATOM 0 HZ3 TRP A 120 -2.571 -7.564 6.367 1.00 1.02 H new ATOM 0 HH2 TRP A 120 -4.463 -6.098 6.924 1.00 1.08 H new ATOM 130 N ARG A 121 -0.554 -8.282 -1.120 1.00 0.81 N ATOM 131 CA ARG A 121 0.536 -9.177 -1.356 1.00 1.06 C ATOM 132 C ARG A 121 1.832 -8.407 -1.310 1.00 1.14 C ATOM 133 O ARG A 121 1.853 -7.190 -1.494 1.00 1.05 O ATOM 134 CB ARG A 121 0.390 -9.836 -2.703 1.00 1.20 C ATOM 135 CG ARG A 121 1.038 -9.041 -3.809 1.00 1.31 C ATOM 136 CD ARG A 121 0.240 -9.105 -5.076 1.00 1.18 C ATOM 137 NE ARG A 121 -0.024 -10.486 -5.488 1.00 1.60 N ATOM 138 CZ ARG A 121 -0.795 -10.824 -6.518 1.00 1.99 C ATOM 139 NH1 ARG A 121 -1.262 -9.886 -7.331 1.00 2.34 N ATOM 140 NH2 ARG A 121 -1.063 -12.105 -6.752 1.00 2.57 N ATOM 0 H ARG A 121 -0.388 -7.319 -1.412 1.00 0.81 H new ATOM 0 HA ARG A 121 0.536 -9.948 -0.586 1.00 1.06 H new ATOM 0 HB2 ARG A 121 0.834 -10.831 -2.667 1.00 1.20 H new ATOM 0 HB3 ARG A 121 -0.669 -9.967 -2.927 1.00 1.20 H new ATOM 0 HG2 ARG A 121 1.144 -8.002 -3.497 1.00 1.31 H new ATOM 0 HG3 ARG A 121 2.043 -9.423 -3.992 1.00 1.31 H new ATOM 0 HD2 ARG A 121 -0.706 -8.581 -4.936 1.00 1.18 H new ATOM 0 HD3 ARG A 121 0.777 -8.586 -5.870 1.00 1.18 H new ATOM 0 HE ARG A 121 0.411 -11.236 -4.951 1.00 1.60 H new ATOM 0 HH11 ARG A 121 -1.030 -8.907 -7.166 1.00 2.34 H new ATOM 0 HH12 ARG A 121 -1.853 -10.144 -8.121 1.00 2.34 H new ATOM 0 HH21 ARG A 121 -0.678 -12.826 -6.142 1.00 2.57 H new ATOM 0 HH22 ARG A 121 -1.654 -12.367 -7.541 1.00 2.57 H new ATOM 154 N GLN A 122 2.897 -9.102 -1.046 1.00 1.38 N ATOM 155 CA GLN A 122 4.205 -8.553 -1.292 1.00 1.54 C ATOM 156 C GLN A 122 5.113 -9.614 -1.889 1.00 1.87 C ATOM 157 O GLN A 122 5.103 -10.768 -1.470 1.00 2.08 O ATOM 158 CB GLN A 122 4.783 -8.007 0.022 1.00 1.73 C ATOM 159 CG GLN A 122 6.303 -7.957 0.090 1.00 2.15 C ATOM 160 CD GLN A 122 6.923 -6.777 -0.637 1.00 2.06 C ATOM 161 OE1 GLN A 122 7.961 -6.262 -0.224 1.00 2.16 O ATOM 162 NE2 GLN A 122 6.303 -6.320 -1.712 1.00 1.91 N ATOM 0 H GLN A 122 2.891 -10.047 -0.662 1.00 1.38 H new ATOM 0 HA GLN A 122 4.131 -7.734 -2.008 1.00 1.54 H new ATOM 0 HB2 GLN A 122 4.395 -7.001 0.181 1.00 1.73 H new ATOM 0 HB3 GLN A 122 4.418 -8.623 0.844 1.00 1.73 H new ATOM 0 HG2 GLN A 122 6.607 -7.925 1.136 1.00 2.15 H new ATOM 0 HG3 GLN A 122 6.704 -8.879 -0.330 1.00 2.15 H new ATOM 0 HE21 GLN A 122 5.444 -6.766 -2.033 1.00 1.91 H new ATOM 0 HE22 GLN A 122 6.684 -5.522 -2.220 1.00 1.91 H new ATOM 171 N SER A 123 5.872 -9.204 -2.883 1.00 1.94 N ATOM 172 CA SER A 123 6.881 -10.026 -3.474 1.00 2.32 C ATOM 173 C SER A 123 8.082 -9.136 -3.734 1.00 2.43 C ATOM 174 O SER A 123 7.990 -7.915 -3.555 1.00 2.22 O ATOM 175 CB SER A 123 6.350 -10.679 -4.758 1.00 2.41 C ATOM 176 OG SER A 123 7.297 -11.564 -5.337 1.00 2.83 O ATOM 0 H SER A 123 5.797 -8.277 -3.301 1.00 1.94 H new ATOM 0 HA SER A 123 7.170 -10.844 -2.814 1.00 2.32 H new ATOM 0 HB2 SER A 123 5.433 -11.225 -4.534 1.00 2.41 H new ATOM 0 HB3 SER A 123 6.091 -9.903 -5.479 1.00 2.41 H new ATOM 0 HG SER A 123 7.098 -11.679 -6.290 1.00 2.83 H new ATOM 182 N ALA A 124 9.167 -9.705 -4.209 1.00 2.77 N ATOM 183 CA ALA A 124 10.374 -8.945 -4.504 1.00 2.93 C ATOM 184 C ALA A 124 10.121 -7.872 -5.558 1.00 2.70 C ATOM 185 O ALA A 124 10.937 -6.979 -5.781 1.00 2.77 O ATOM 186 CB ALA A 124 11.433 -9.897 -4.997 1.00 3.35 C ATOM 0 H ALA A 124 9.244 -10.703 -4.403 1.00 2.77 H new ATOM 0 HA ALA A 124 10.700 -8.443 -3.593 1.00 2.93 H new ATOM 0 HB1 ALA A 124 12.344 -9.343 -5.222 1.00 3.35 H new ATOM 0 HB2 ALA A 124 11.641 -10.640 -4.227 1.00 3.35 H new ATOM 0 HB3 ALA A 124 11.081 -10.398 -5.899 1.00 3.35 H new ATOM 192 N GLU A 125 8.978 -7.985 -6.184 1.00 2.48 N ATOM 193 CA GLU A 125 8.636 -7.236 -7.371 1.00 2.35 C ATOM 194 C GLU A 125 7.649 -6.108 -7.090 1.00 1.91 C ATOM 195 O GLU A 125 7.655 -5.091 -7.787 1.00 1.78 O ATOM 196 CB GLU A 125 8.023 -8.230 -8.335 1.00 2.56 C ATOM 197 CG GLU A 125 7.110 -9.203 -7.610 1.00 2.56 C ATOM 198 CD GLU A 125 6.491 -10.249 -8.514 1.00 2.86 C ATOM 199 OE1 GLU A 125 6.614 -11.454 -8.223 1.00 3.11 O ATOM 200 OE2 GLU A 125 5.896 -9.863 -9.542 1.00 2.98 O ATOM 0 H GLU A 125 8.238 -8.616 -5.876 1.00 2.48 H new ATOM 0 HA GLU A 125 9.529 -6.759 -7.776 1.00 2.35 H new ATOM 0 HB2 GLU A 125 7.458 -7.698 -9.100 1.00 2.56 H new ATOM 0 HB3 GLU A 125 8.813 -8.780 -8.846 1.00 2.56 H new ATOM 0 HG2 GLU A 125 7.678 -9.704 -6.826 1.00 2.56 H new ATOM 0 HG3 GLU A 125 6.314 -8.643 -7.119 1.00 2.56 H new ATOM 207 N GLU A 126 6.801 -6.279 -6.082 1.00 1.72 N ATOM 208 CA GLU A 126 5.701 -5.351 -5.875 1.00 1.33 C ATOM 209 C GLU A 126 5.115 -5.467 -4.482 1.00 1.27 C ATOM 210 O GLU A 126 5.046 -6.563 -3.923 1.00 1.55 O ATOM 211 CB GLU A 126 4.598 -5.638 -6.888 1.00 1.42 C ATOM 212 CG GLU A 126 3.974 -7.007 -6.689 1.00 1.81 C ATOM 213 CD GLU A 126 3.051 -7.409 -7.822 1.00 1.94 C ATOM 214 OE1 GLU A 126 2.116 -8.200 -7.580 1.00 2.06 O ATOM 215 OE2 GLU A 126 3.245 -6.929 -8.961 1.00 2.15 O ATOM 0 H GLU A 126 6.854 -7.041 -5.406 1.00 1.72 H new ATOM 0 HA GLU A 126 6.096 -4.343 -6.000 1.00 1.33 H new ATOM 0 HB2 GLU A 126 3.825 -4.874 -6.806 1.00 1.42 H new ATOM 0 HB3 GLU A 126 5.007 -5.571 -7.896 1.00 1.42 H new ATOM 0 HG2 GLU A 126 4.766 -7.750 -6.592 1.00 1.81 H new ATOM 0 HG3 GLU A 126 3.415 -7.013 -5.753 1.00 1.81 H new ATOM 222 N VAL A 127 4.668 -4.342 -3.936 1.00 0.96 N ATOM 223 CA VAL A 127 3.815 -4.384 -2.761 1.00 0.93 C ATOM 224 C VAL A 127 2.406 -4.041 -3.191 1.00 0.66 C ATOM 225 O VAL A 127 2.160 -3.000 -3.805 1.00 0.53 O ATOM 226 CB VAL A 127 4.270 -3.451 -1.593 1.00 1.08 C ATOM 227 CG1 VAL A 127 3.185 -2.463 -1.197 1.00 1.31 C ATOM 228 CG2 VAL A 127 4.636 -4.267 -0.371 1.00 1.53 C ATOM 0 H VAL A 127 4.879 -3.406 -4.283 1.00 0.96 H new ATOM 0 HA VAL A 127 3.878 -5.392 -2.352 1.00 0.93 H new ATOM 0 HB VAL A 127 5.137 -2.899 -1.956 1.00 1.08 H new ATOM 0 HG11 VAL A 127 3.545 -1.835 -0.382 1.00 1.31 H new ATOM 0 HG12 VAL A 127 2.933 -1.837 -2.053 1.00 1.31 H new ATOM 0 HG13 VAL A 127 2.298 -3.007 -0.871 1.00 1.31 H new ATOM 0 HG21 VAL A 127 4.950 -3.600 0.431 1.00 1.53 H new ATOM 0 HG22 VAL A 127 3.770 -4.843 -0.045 1.00 1.53 H new ATOM 0 HG23 VAL A 127 5.452 -4.946 -0.618 1.00 1.53 H new ATOM 238 N ILE A 128 1.503 -4.953 -2.930 1.00 0.64 N ATOM 239 CA ILE A 128 0.114 -4.783 -3.304 1.00 0.48 C ATOM 240 C ILE A 128 -0.781 -4.761 -2.098 1.00 0.46 C ATOM 241 O ILE A 128 -0.698 -5.632 -1.250 1.00 0.56 O ATOM 242 CB ILE A 128 -0.357 -5.888 -4.269 1.00 0.56 C ATOM 243 CG1 ILE A 128 0.427 -5.768 -5.564 1.00 0.64 C ATOM 244 CG2 ILE A 128 -1.848 -5.761 -4.525 1.00 0.55 C ATOM 245 CD1 ILE A 128 0.539 -4.336 -5.994 1.00 0.55 C ATOM 0 H ILE A 128 1.705 -5.832 -2.454 1.00 0.64 H new ATOM 0 HA ILE A 128 0.047 -3.822 -3.814 1.00 0.48 H new ATOM 0 HB ILE A 128 -0.178 -6.869 -3.829 1.00 0.56 H new ATOM 0 HG12 ILE A 128 1.423 -6.190 -5.431 1.00 0.64 H new ATOM 0 HG13 ILE A 128 -0.063 -6.349 -6.345 1.00 0.64 H new ATOM 0 HG21 ILE A 128 -2.168 -6.548 -5.208 1.00 0.55 H new ATOM 0 HG22 ILE A 128 -2.388 -5.856 -3.583 1.00 0.55 H new ATOM 0 HG23 ILE A 128 -2.060 -4.788 -4.968 1.00 0.55 H new ATOM 0 HD11 ILE A 128 1.105 -4.278 -6.924 1.00 0.55 H new ATOM 0 HD12 ILE A 128 -0.458 -3.924 -6.150 1.00 0.55 H new ATOM 0 HD13 ILE A 128 1.052 -3.763 -5.221 1.00 0.55 H new ATOM 257 N VAL A 129 -1.605 -3.741 -2.009 1.00 0.39 N ATOM 258 CA VAL A 129 -2.654 -3.715 -1.020 1.00 0.42 C ATOM 259 C VAL A 129 -3.980 -3.326 -1.670 1.00 0.36 C ATOM 260 O VAL A 129 -4.097 -2.284 -2.315 1.00 0.37 O ATOM 261 CB VAL A 129 -2.279 -2.776 0.150 1.00 0.52 C ATOM 262 CG1 VAL A 129 -1.572 -1.555 -0.363 1.00 0.73 C ATOM 263 CG2 VAL A 129 -3.485 -2.364 0.968 1.00 0.79 C ATOM 0 H VAL A 129 -1.567 -2.919 -2.611 1.00 0.39 H new ATOM 0 HA VAL A 129 -2.774 -4.714 -0.600 1.00 0.42 H new ATOM 0 HB VAL A 129 -1.613 -3.337 0.805 1.00 0.52 H new ATOM 0 HG11 VAL A 129 -1.315 -0.905 0.473 1.00 0.73 H new ATOM 0 HG12 VAL A 129 -0.662 -1.853 -0.883 1.00 0.73 H new ATOM 0 HG13 VAL A 129 -2.225 -1.019 -1.052 1.00 0.73 H new ATOM 0 HG21 VAL A 129 -3.168 -1.705 1.777 1.00 0.79 H new ATOM 0 HG22 VAL A 129 -4.196 -1.839 0.330 1.00 0.79 H new ATOM 0 HG23 VAL A 129 -3.960 -3.251 1.387 1.00 0.79 H new ATOM 273 N LYS A 130 -4.950 -4.213 -1.528 1.00 0.36 N ATOM 274 CA LYS A 130 -6.271 -4.043 -2.074 1.00 0.33 C ATOM 275 C LYS A 130 -7.287 -3.962 -0.945 1.00 0.37 C ATOM 276 O LYS A 130 -7.338 -4.837 -0.066 1.00 0.43 O ATOM 277 CB LYS A 130 -6.664 -5.192 -3.006 1.00 0.37 C ATOM 278 CG LYS A 130 -5.558 -5.718 -3.904 1.00 0.83 C ATOM 279 CD LYS A 130 -6.034 -6.970 -4.629 1.00 1.18 C ATOM 280 CE LYS A 130 -4.947 -7.594 -5.487 1.00 1.57 C ATOM 281 NZ LYS A 130 -5.358 -8.931 -5.997 1.00 1.50 N ATOM 0 H LYS A 130 -4.831 -5.088 -1.018 1.00 0.36 H new ATOM 0 HA LYS A 130 -6.263 -3.120 -2.654 1.00 0.33 H new ATOM 0 HB2 LYS A 130 -7.037 -6.017 -2.399 1.00 0.37 H new ATOM 0 HB3 LYS A 130 -7.490 -4.860 -3.634 1.00 0.37 H new ATOM 0 HG2 LYS A 130 -5.270 -4.955 -4.627 1.00 0.83 H new ATOM 0 HG3 LYS A 130 -4.672 -5.945 -3.311 1.00 0.83 H new ATOM 0 HD2 LYS A 130 -6.379 -7.701 -3.897 1.00 1.18 H new ATOM 0 HD3 LYS A 130 -6.889 -6.719 -5.257 1.00 1.18 H new ATOM 0 HE2 LYS A 130 -4.722 -6.936 -6.326 1.00 1.57 H new ATOM 0 HE3 LYS A 130 -4.032 -7.691 -4.903 1.00 1.57 H new ATOM 0 HZ1 LYS A 130 -4.554 -9.381 -6.479 1.00 1.50 H new ATOM 0 HZ2 LYS A 130 -5.663 -9.527 -5.201 1.00 1.50 H new ATOM 0 HZ3 LYS A 130 -6.145 -8.820 -6.668 1.00 1.50 H new ATOM 295 N LEU A 131 -8.089 -2.915 -0.970 1.00 0.38 N ATOM 296 CA LEU A 131 -9.006 -2.635 0.108 1.00 0.47 C ATOM 297 C LEU A 131 -10.404 -2.376 -0.440 1.00 0.45 C ATOM 298 O LEU A 131 -10.553 -1.753 -1.477 1.00 0.41 O ATOM 299 CB LEU A 131 -8.467 -1.427 0.852 1.00 0.51 C ATOM 300 CG LEU A 131 -7.004 -1.570 1.272 1.00 0.60 C ATOM 301 CD1 LEU A 131 -6.248 -0.279 1.012 1.00 0.72 C ATOM 302 CD2 LEU A 131 -6.910 -1.964 2.730 1.00 0.96 C ATOM 0 H LEU A 131 -8.120 -2.241 -1.735 1.00 0.38 H new ATOM 0 HA LEU A 131 -9.087 -3.484 0.786 1.00 0.47 H new ATOM 0 HB2 LEU A 131 -8.570 -0.545 0.220 1.00 0.51 H new ATOM 0 HB3 LEU A 131 -9.076 -1.256 1.740 1.00 0.51 H new ATOM 0 HG LEU A 131 -6.546 -2.358 0.675 1.00 0.60 H new ATOM 0 HD11 LEU A 131 -5.208 -0.398 1.317 1.00 0.72 H new ATOM 0 HD12 LEU A 131 -6.290 -0.041 -0.051 1.00 0.72 H new ATOM 0 HD13 LEU A 131 -6.703 0.530 1.583 1.00 0.72 H new ATOM 0 HD21 LEU A 131 -5.862 -2.062 3.014 1.00 0.96 H new ATOM 0 HD22 LEU A 131 -7.382 -1.198 3.345 1.00 0.96 H new ATOM 0 HD23 LEU A 131 -7.418 -2.916 2.883 1.00 0.96 H new ATOM 314 N ARG A 132 -11.423 -2.888 0.226 1.00 0.57 N ATOM 315 CA ARG A 132 -12.795 -2.683 -0.225 1.00 0.63 C ATOM 316 C ARG A 132 -13.458 -1.550 0.548 1.00 0.60 C ATOM 317 O ARG A 132 -13.389 -1.502 1.777 1.00 0.67 O ATOM 318 CB ARG A 132 -13.619 -3.969 -0.086 1.00 0.85 C ATOM 319 CG ARG A 132 -13.807 -4.435 1.346 1.00 1.32 C ATOM 320 CD ARG A 132 -14.760 -5.614 1.431 1.00 1.84 C ATOM 321 NE ARG A 132 -16.079 -5.308 0.873 1.00 2.53 N ATOM 322 CZ ARG A 132 -17.092 -4.783 1.568 1.00 3.25 C ATOM 323 NH1 ARG A 132 -16.933 -4.440 2.842 1.00 3.46 N ATOM 324 NH2 ARG A 132 -18.261 -4.598 0.978 1.00 4.13 N ATOM 0 H ARG A 132 -11.332 -3.445 1.075 1.00 0.57 H new ATOM 0 HA ARG A 132 -12.758 -2.409 -1.279 1.00 0.63 H new ATOM 0 HB2 ARG A 132 -14.599 -3.810 -0.536 1.00 0.85 H new ATOM 0 HB3 ARG A 132 -13.132 -4.762 -0.654 1.00 0.85 H new ATOM 0 HG2 ARG A 132 -12.842 -4.716 1.767 1.00 1.32 H new ATOM 0 HG3 ARG A 132 -14.191 -3.612 1.949 1.00 1.32 H new ATOM 0 HD2 ARG A 132 -14.331 -6.463 0.898 1.00 1.84 H new ATOM 0 HD3 ARG A 132 -14.870 -5.914 2.473 1.00 1.84 H new ATOM 0 HE ARG A 132 -16.235 -5.510 -0.115 1.00 2.53 H new ATOM 0 HH11 ARG A 132 -16.031 -4.577 3.298 1.00 3.46 H new ATOM 0 HH12 ARG A 132 -17.713 -4.040 3.364 1.00 3.46 H new ATOM 0 HH21 ARG A 132 -18.385 -4.856 -0.001 1.00 4.13 H new ATOM 0 HH22 ARG A 132 -19.039 -4.198 1.502 1.00 4.13 H new ATOM 338 N VAL A 133 -14.118 -0.651 -0.165 1.00 0.60 N ATOM 339 CA VAL A 133 -14.781 0.474 0.474 1.00 0.57 C ATOM 340 C VAL A 133 -16.256 0.178 0.677 1.00 0.81 C ATOM 341 O VAL A 133 -17.007 -0.011 -0.277 1.00 0.99 O ATOM 342 CB VAL A 133 -14.634 1.781 -0.341 1.00 0.62 C ATOM 343 CG1 VAL A 133 -15.546 2.867 0.209 1.00 0.81 C ATOM 344 CG2 VAL A 133 -13.197 2.262 -0.320 1.00 0.99 C ATOM 0 H VAL A 133 -14.209 -0.678 -1.181 1.00 0.60 H new ATOM 0 HA VAL A 133 -14.294 0.618 1.438 1.00 0.57 H new ATOM 0 HB VAL A 133 -14.923 1.568 -1.370 1.00 0.62 H new ATOM 0 HG11 VAL A 133 -15.425 3.776 -0.380 1.00 0.81 H new ATOM 0 HG12 VAL A 133 -16.582 2.534 0.154 1.00 0.81 H new ATOM 0 HG13 VAL A 133 -15.285 3.070 1.248 1.00 0.81 H new ATOM 0 HG21 VAL A 133 -13.113 3.182 -0.898 1.00 0.99 H new ATOM 0 HG22 VAL A 133 -12.892 2.451 0.709 1.00 0.99 H new ATOM 0 HG23 VAL A 133 -12.552 1.499 -0.756 1.00 0.99 H new ATOM 354 N GLY A 134 -16.647 0.119 1.937 1.00 0.96 N ATOM 355 CA GLY A 134 -18.039 -0.039 2.284 1.00 1.24 C ATOM 356 C GLY A 134 -18.494 1.069 3.187 1.00 1.32 C ATOM 357 O GLY A 134 -19.562 0.992 3.791 1.00 1.54 O ATOM 0 H GLY A 134 -16.015 0.179 2.735 1.00 0.96 H new ATOM 0 HA2 GLY A 134 -18.645 -0.048 1.378 1.00 1.24 H new ATOM 0 HA3 GLY A 134 -18.188 -1.000 2.777 1.00 1.24 H new ATOM 361 N VAL A 135 -17.687 2.116 3.266 1.00 1.26 N ATOM 362 CA VAL A 135 -17.916 3.163 4.236 1.00 1.46 C ATOM 363 C VAL A 135 -19.044 4.077 3.771 1.00 1.62 C ATOM 364 O VAL A 135 -19.613 4.850 4.542 1.00 2.18 O ATOM 365 CB VAL A 135 -16.624 3.971 4.471 1.00 1.46 C ATOM 366 CG1 VAL A 135 -16.198 4.692 3.197 1.00 1.28 C ATOM 367 CG2 VAL A 135 -16.790 4.954 5.624 1.00 1.79 C ATOM 0 H VAL A 135 -16.872 2.258 2.670 1.00 1.26 H new ATOM 0 HA VAL A 135 -18.210 2.705 5.180 1.00 1.46 H new ATOM 0 HB VAL A 135 -15.836 3.270 4.745 1.00 1.46 H new ATOM 0 HG11 VAL A 135 -15.284 5.256 3.386 1.00 1.28 H new ATOM 0 HG12 VAL A 135 -16.017 3.961 2.409 1.00 1.28 H new ATOM 0 HG13 VAL A 135 -16.988 5.375 2.884 1.00 1.28 H new ATOM 0 HG21 VAL A 135 -15.863 5.509 5.765 1.00 1.79 H new ATOM 0 HG22 VAL A 135 -17.598 5.649 5.396 1.00 1.79 H new ATOM 0 HG23 VAL A 135 -17.029 4.408 6.536 1.00 1.79 H new ATOM 377 N GLY A 136 -19.373 3.935 2.503 1.00 1.55 N ATOM 378 CA GLY A 136 -20.350 4.773 1.866 1.00 1.67 C ATOM 379 C GLY A 136 -20.061 4.838 0.390 1.00 1.53 C ATOM 380 O GLY A 136 -19.643 3.836 -0.193 1.00 1.55 O ATOM 0 H GLY A 136 -18.965 3.230 1.889 1.00 1.55 H new ATOM 0 HA2 GLY A 136 -21.351 4.377 2.035 1.00 1.67 H new ATOM 0 HA3 GLY A 136 -20.325 5.774 2.298 1.00 1.67 H new ATOM 384 N PRO A 137 -20.255 5.987 -0.250 1.00 1.48 N ATOM 385 CA PRO A 137 -19.908 6.165 -1.645 1.00 1.43 C ATOM 386 C PRO A 137 -18.423 6.378 -1.816 1.00 1.16 C ATOM 387 O PRO A 137 -17.791 7.092 -1.037 1.00 1.06 O ATOM 388 CB PRO A 137 -20.702 7.410 -2.074 1.00 1.57 C ATOM 389 CG PRO A 137 -21.451 7.864 -0.855 1.00 1.71 C ATOM 390 CD PRO A 137 -20.782 7.220 0.325 1.00 1.57 C ATOM 0 HA PRO A 137 -20.149 5.290 -2.249 1.00 1.43 H new ATOM 0 HB2 PRO A 137 -20.035 8.192 -2.436 1.00 1.57 H new ATOM 0 HB3 PRO A 137 -21.388 7.174 -2.888 1.00 1.57 H new ATOM 0 HG2 PRO A 137 -21.428 8.950 -0.768 1.00 1.71 H new ATOM 0 HG3 PRO A 137 -22.499 7.571 -0.913 1.00 1.71 H new ATOM 0 HD2 PRO A 137 -19.991 7.847 0.736 1.00 1.57 H new ATOM 0 HD3 PRO A 137 -21.486 7.023 1.134 1.00 1.57 H new ATOM 398 N LEU A 138 -17.864 5.746 -2.825 1.00 1.15 N ATOM 399 CA LEU A 138 -16.477 5.892 -3.115 1.00 0.96 C ATOM 400 C LEU A 138 -16.209 7.276 -3.658 1.00 0.97 C ATOM 401 O LEU A 138 -16.705 7.670 -4.717 1.00 1.14 O ATOM 402 CB LEU A 138 -16.088 4.844 -4.134 1.00 1.06 C ATOM 403 CG LEU A 138 -14.696 5.014 -4.735 1.00 0.85 C ATOM 404 CD1 LEU A 138 -13.722 4.059 -4.078 1.00 0.80 C ATOM 405 CD2 LEU A 138 -14.727 4.820 -6.240 1.00 1.69 C ATOM 0 H LEU A 138 -18.366 5.122 -3.457 1.00 1.15 H new ATOM 0 HA LEU A 138 -15.887 5.760 -2.208 1.00 0.96 H new ATOM 0 HB2 LEU A 138 -16.147 3.862 -3.664 1.00 1.06 H new ATOM 0 HB3 LEU A 138 -16.820 4.855 -4.942 1.00 1.06 H new ATOM 0 HG LEU A 138 -14.357 6.032 -4.543 1.00 0.85 H new ATOM 0 HD11 LEU A 138 -12.732 4.190 -4.516 1.00 0.80 H new ATOM 0 HD12 LEU A 138 -13.676 4.265 -3.009 1.00 0.80 H new ATOM 0 HD13 LEU A 138 -14.055 3.033 -4.236 1.00 0.80 H new ATOM 0 HD21 LEU A 138 -13.723 4.946 -6.644 1.00 1.69 H new ATOM 0 HD22 LEU A 138 -15.087 3.817 -6.470 1.00 1.69 H new ATOM 0 HD23 LEU A 138 -15.394 5.557 -6.688 1.00 1.69 H new ATOM 417 N GLN A 139 -15.438 8.001 -2.902 1.00 0.83 N ATOM 418 CA GLN A 139 -14.964 9.295 -3.290 1.00 0.88 C ATOM 419 C GLN A 139 -13.452 9.246 -3.273 1.00 0.75 C ATOM 420 O GLN A 139 -12.875 8.454 -2.539 1.00 0.66 O ATOM 421 CB GLN A 139 -15.514 10.367 -2.346 1.00 0.96 C ATOM 422 CG GLN A 139 -14.939 10.311 -0.944 1.00 0.86 C ATOM 423 CD GLN A 139 -15.439 9.123 -0.117 1.00 0.89 C ATOM 424 OE1 GLN A 139 -16.429 9.236 0.601 1.00 1.11 O ATOM 425 NE2 GLN A 139 -14.766 7.977 -0.208 1.00 0.93 N ATOM 0 H GLN A 139 -15.115 7.703 -1.981 1.00 0.83 H new ATOM 0 HA GLN A 139 -15.308 9.557 -4.290 1.00 0.88 H new ATOM 0 HB2 GLN A 139 -15.311 11.350 -2.772 1.00 0.96 H new ATOM 0 HB3 GLN A 139 -16.597 10.263 -2.287 1.00 0.96 H new ATOM 0 HG2 GLN A 139 -13.852 10.264 -1.009 1.00 0.86 H new ATOM 0 HG3 GLN A 139 -15.188 11.235 -0.422 1.00 0.86 H new ATOM 0 HE21 GLN A 139 -13.947 7.913 -0.813 1.00 0.93 H new ATOM 0 HE22 GLN A 139 -15.070 7.163 0.327 1.00 0.93 H new ATOM 434 N LEU A 140 -12.838 10.106 -4.070 1.00 0.83 N ATOM 435 CA LEU A 140 -11.409 10.032 -4.399 1.00 0.79 C ATOM 436 C LEU A 140 -10.527 10.000 -3.160 1.00 0.65 C ATOM 437 O LEU A 140 -9.377 9.560 -3.207 1.00 0.70 O ATOM 438 CB LEU A 140 -11.019 11.209 -5.285 1.00 0.98 C ATOM 439 CG LEU A 140 -10.568 10.831 -6.691 1.00 1.73 C ATOM 440 CD1 LEU A 140 -9.377 9.888 -6.635 1.00 2.38 C ATOM 441 CD2 LEU A 140 -11.719 10.199 -7.439 1.00 2.60 C ATOM 0 H LEU A 140 -13.317 10.888 -4.516 1.00 0.83 H new ATOM 0 HA LEU A 140 -11.248 9.095 -4.933 1.00 0.79 H new ATOM 0 HB2 LEU A 140 -11.870 11.885 -5.362 1.00 0.98 H new ATOM 0 HB3 LEU A 140 -10.216 11.762 -4.798 1.00 0.98 H new ATOM 0 HG LEU A 140 -10.256 11.731 -7.220 1.00 1.73 H new ATOM 0 HD11 LEU A 140 -9.070 9.630 -7.648 1.00 2.38 H new ATOM 0 HD12 LEU A 140 -8.551 10.376 -6.118 1.00 2.38 H new ATOM 0 HD13 LEU A 140 -9.656 8.981 -6.098 1.00 2.38 H new ATOM 0 HD21 LEU A 140 -11.395 9.929 -8.444 1.00 2.60 H new ATOM 0 HD22 LEU A 140 -12.048 9.304 -6.911 1.00 2.60 H new ATOM 0 HD23 LEU A 140 -12.545 10.908 -7.502 1.00 2.60 H new ATOM 453 N GLU A 141 -11.075 10.508 -2.074 1.00 0.63 N ATOM 454 CA GLU A 141 -10.396 10.585 -0.793 1.00 0.64 C ATOM 455 C GLU A 141 -10.130 9.211 -0.186 1.00 0.59 C ATOM 456 O GLU A 141 -9.465 9.104 0.840 1.00 0.70 O ATOM 457 CB GLU A 141 -11.253 11.392 0.162 1.00 0.78 C ATOM 458 CG GLU A 141 -12.393 10.612 0.770 1.00 1.06 C ATOM 459 CD GLU A 141 -12.087 10.064 2.151 1.00 1.78 C ATOM 460 OE1 GLU A 141 -12.125 8.829 2.324 1.00 2.58 O ATOM 461 OE2 GLU A 141 -11.772 10.859 3.062 1.00 2.05 O ATOM 0 H GLU A 141 -12.022 10.886 -2.055 1.00 0.63 H new ATOM 0 HA GLU A 141 -9.429 11.060 -0.957 1.00 0.64 H new ATOM 0 HB2 GLU A 141 -10.622 11.778 0.963 1.00 0.78 H new ATOM 0 HB3 GLU A 141 -11.658 12.254 -0.369 1.00 0.78 H new ATOM 0 HG2 GLU A 141 -13.271 11.255 0.830 1.00 1.06 H new ATOM 0 HG3 GLU A 141 -12.649 9.784 0.109 1.00 1.06 H new ATOM 468 N ASP A 142 -10.601 8.168 -0.841 1.00 0.51 N ATOM 469 CA ASP A 142 -10.763 6.883 -0.221 1.00 0.51 C ATOM 470 C ASP A 142 -9.438 6.138 -0.083 1.00 0.50 C ATOM 471 O ASP A 142 -9.349 5.142 0.637 1.00 0.56 O ATOM 472 CB ASP A 142 -11.695 6.053 -1.088 1.00 0.57 C ATOM 473 CG ASP A 142 -11.083 5.717 -2.441 1.00 1.64 C ATOM 474 OD1 ASP A 142 -10.790 6.651 -3.209 1.00 2.37 O ATOM 475 OD2 ASP A 142 -10.905 4.513 -2.738 1.00 2.39 O ATOM 0 H ASP A 142 -10.881 8.196 -1.821 1.00 0.51 H new ATOM 0 HA ASP A 142 -11.166 7.036 0.780 1.00 0.51 H new ATOM 0 HB2 ASP A 142 -11.946 5.129 -0.566 1.00 0.57 H new ATOM 0 HB3 ASP A 142 -12.627 6.597 -1.239 1.00 0.57 H new ATOM 480 N VAL A 143 -8.404 6.635 -0.739 1.00 0.49 N ATOM 481 CA VAL A 143 -7.044 6.255 -0.406 1.00 0.47 C ATOM 482 C VAL A 143 -6.216 7.502 -0.145 1.00 0.47 C ATOM 483 O VAL A 143 -6.073 8.340 -1.034 1.00 0.59 O ATOM 484 CB VAL A 143 -6.364 5.417 -1.508 1.00 0.55 C ATOM 485 CG1 VAL A 143 -4.981 4.967 -1.058 1.00 0.53 C ATOM 486 CG2 VAL A 143 -7.205 4.212 -1.861 1.00 0.65 C ATOM 0 H VAL A 143 -8.481 7.303 -1.506 1.00 0.49 H new ATOM 0 HA VAL A 143 -7.100 5.632 0.486 1.00 0.47 H new ATOM 0 HB VAL A 143 -6.263 6.044 -2.394 1.00 0.55 H new ATOM 0 HG11 VAL A 143 -4.516 4.377 -1.848 1.00 0.53 H new ATOM 0 HG12 VAL A 143 -4.365 5.841 -0.847 1.00 0.53 H new ATOM 0 HG13 VAL A 143 -5.071 4.360 -0.157 1.00 0.53 H new ATOM 0 HG21 VAL A 143 -6.706 3.636 -2.640 1.00 0.65 H new ATOM 0 HG22 VAL A 143 -7.337 3.589 -0.977 1.00 0.65 H new ATOM 0 HG23 VAL A 143 -8.180 4.541 -2.221 1.00 0.65 H new ATOM 496 N ASP A 144 -5.670 7.646 1.048 1.00 0.40 N ATOM 497 CA ASP A 144 -4.674 8.681 1.265 1.00 0.41 C ATOM 498 C ASP A 144 -3.309 8.038 1.151 1.00 0.33 C ATOM 499 O ASP A 144 -2.830 7.406 2.081 1.00 0.33 O ATOM 500 CB ASP A 144 -4.817 9.360 2.634 1.00 0.47 C ATOM 501 CG ASP A 144 -5.906 10.413 2.681 1.00 0.91 C ATOM 502 OD1 ASP A 144 -5.656 11.554 2.246 1.00 1.11 O ATOM 503 OD2 ASP A 144 -7.032 10.088 3.117 1.00 1.52 O ATOM 0 H ASP A 144 -5.891 7.076 1.864 1.00 0.40 H new ATOM 0 HA ASP A 144 -4.812 9.461 0.516 1.00 0.41 H new ATOM 0 HB2 ASP A 144 -5.026 8.600 3.387 1.00 0.47 H new ATOM 0 HB3 ASP A 144 -3.866 9.821 2.902 1.00 0.47 H new ATOM 508 N ALA A 145 -2.661 8.189 0.027 1.00 0.38 N ATOM 509 CA ALA A 145 -1.420 7.482 -0.164 1.00 0.36 C ATOM 510 C ALA A 145 -0.293 8.418 -0.536 1.00 0.39 C ATOM 511 O ALA A 145 -0.357 9.140 -1.530 1.00 0.47 O ATOM 512 CB ALA A 145 -1.564 6.378 -1.194 1.00 0.48 C ATOM 0 H ALA A 145 -2.959 8.777 -0.751 1.00 0.38 H new ATOM 0 HA ALA A 145 -1.166 7.022 0.791 1.00 0.36 H new ATOM 0 HB1 ALA A 145 -0.610 5.865 -1.314 1.00 0.48 H new ATOM 0 HB2 ALA A 145 -2.319 5.666 -0.861 1.00 0.48 H new ATOM 0 HB3 ALA A 145 -1.867 6.808 -2.149 1.00 0.48 H new ATOM 518 N ALA A 146 0.741 8.381 0.269 1.00 0.38 N ATOM 519 CA ALA A 146 1.945 9.142 0.017 1.00 0.49 C ATOM 520 C ALA A 146 3.097 8.176 -0.066 1.00 0.48 C ATOM 521 O ALA A 146 3.032 7.102 0.499 1.00 0.66 O ATOM 522 CB ALA A 146 2.196 10.151 1.124 1.00 0.56 C ATOM 0 H ALA A 146 0.773 7.821 1.121 1.00 0.38 H new ATOM 0 HA ALA A 146 1.837 9.696 -0.916 1.00 0.49 H new ATOM 0 HB1 ALA A 146 3.107 10.709 0.908 1.00 0.56 H new ATOM 0 HB2 ALA A 146 1.354 10.841 1.185 1.00 0.56 H new ATOM 0 HB3 ALA A 146 2.307 9.629 2.074 1.00 0.56 H new ATOM 528 N PHE A 147 4.084 8.457 -0.850 1.00 0.57 N ATOM 529 CA PHE A 147 5.291 7.691 -0.769 1.00 0.59 C ATOM 530 C PHE A 147 6.469 8.626 -0.877 1.00 0.68 C ATOM 531 O PHE A 147 6.523 9.462 -1.778 1.00 0.94 O ATOM 532 CB PHE A 147 5.288 6.603 -1.827 1.00 0.82 C ATOM 533 CG PHE A 147 5.963 5.334 -1.405 1.00 2.08 C ATOM 534 CD1 PHE A 147 7.253 5.355 -0.920 1.00 2.46 C ATOM 535 CD2 PHE A 147 5.311 4.114 -1.524 1.00 3.01 C ATOM 536 CE1 PHE A 147 7.890 4.182 -0.556 1.00 3.72 C ATOM 537 CE2 PHE A 147 5.940 2.939 -1.159 1.00 4.26 C ATOM 538 CZ PHE A 147 7.232 2.973 -0.675 1.00 4.62 C ATOM 0 H PHE A 147 4.084 9.201 -1.547 1.00 0.57 H new ATOM 0 HA PHE A 147 5.365 7.181 0.192 1.00 0.59 H new ATOM 0 HB2 PHE A 147 4.256 6.379 -2.099 1.00 0.82 H new ATOM 0 HB3 PHE A 147 5.779 6.982 -2.723 1.00 0.82 H new ATOM 0 HD1 PHE A 147 7.772 6.297 -0.823 1.00 2.46 H new ATOM 0 HD2 PHE A 147 4.301 4.083 -1.906 1.00 3.01 H new ATOM 0 HE1 PHE A 147 8.902 4.211 -0.179 1.00 3.72 H new ATOM 0 HE2 PHE A 147 5.422 1.996 -1.252 1.00 4.26 H new ATOM 0 HZ PHE A 147 7.728 2.057 -0.390 1.00 4.62 H new ATOM 548 N THR A 148 7.386 8.508 0.051 1.00 0.54 N ATOM 549 CA THR A 148 8.497 9.414 0.128 1.00 0.64 C ATOM 550 C THR A 148 9.794 8.685 -0.115 1.00 0.71 C ATOM 551 O THR A 148 9.842 7.456 -0.094 1.00 0.74 O ATOM 552 CB THR A 148 8.570 10.057 1.500 1.00 0.56 C ATOM 553 OG1 THR A 148 7.248 10.248 2.030 1.00 0.65 O ATOM 554 CG2 THR A 148 9.278 11.381 1.410 1.00 0.81 C ATOM 0 H THR A 148 7.381 7.784 0.769 1.00 0.54 H new ATOM 0 HA THR A 148 8.348 10.178 -0.635 1.00 0.64 H new ATOM 0 HB THR A 148 9.126 9.398 2.166 1.00 0.56 H new ATOM 0 HG1 THR A 148 7.049 9.539 2.677 1.00 0.65 H new ATOM 0 HG21 THR A 148 9.326 11.836 2.399 1.00 0.81 H new ATOM 0 HG22 THR A 148 10.289 11.228 1.031 1.00 0.81 H new ATOM 0 HG23 THR A 148 8.733 12.040 0.734 1.00 0.81 H new ATOM 562 N ASP A 149 10.852 9.460 -0.273 1.00 0.84 N ATOM 563 CA ASP A 149 12.123 8.937 -0.693 1.00 0.98 C ATOM 564 C ASP A 149 12.669 8.009 0.351 1.00 0.79 C ATOM 565 O ASP A 149 13.496 7.148 0.070 1.00 0.92 O ATOM 566 CB ASP A 149 13.124 10.063 -0.968 1.00 1.23 C ATOM 567 CG ASP A 149 12.658 11.041 -2.031 1.00 1.87 C ATOM 568 OD1 ASP A 149 11.573 11.639 -1.865 1.00 2.28 O ATOM 569 OD2 ASP A 149 13.397 11.256 -3.015 1.00 2.17 O ATOM 0 H ASP A 149 10.846 10.467 -0.112 1.00 0.84 H new ATOM 0 HA ASP A 149 11.970 8.386 -1.621 1.00 0.98 H new ATOM 0 HB2 ASP A 149 13.310 10.607 -0.042 1.00 1.23 H new ATOM 0 HB3 ASP A 149 14.073 9.627 -1.278 1.00 1.23 H new ATOM 574 N THR A 150 12.209 8.189 1.568 1.00 0.56 N ATOM 575 CA THR A 150 12.656 7.355 2.638 1.00 0.54 C ATOM 576 C THR A 150 11.494 6.873 3.517 1.00 0.64 C ATOM 577 O THR A 150 11.702 6.329 4.596 1.00 0.88 O ATOM 578 CB THR A 150 13.758 8.043 3.462 1.00 0.53 C ATOM 579 OG1 THR A 150 13.254 9.225 4.096 1.00 0.67 O ATOM 580 CG2 THR A 150 14.926 8.405 2.556 1.00 0.59 C ATOM 0 H THR A 150 11.530 8.903 1.832 1.00 0.56 H new ATOM 0 HA THR A 150 13.096 6.463 2.191 1.00 0.54 H new ATOM 0 HB THR A 150 14.095 7.352 4.235 1.00 0.53 H new ATOM 0 HG1 THR A 150 13.969 9.647 4.616 1.00 0.67 H new ATOM 0 HG21 THR A 150 15.705 8.892 3.143 1.00 0.59 H new ATOM 0 HG22 THR A 150 15.328 7.500 2.101 1.00 0.59 H new ATOM 0 HG23 THR A 150 14.584 9.083 1.774 1.00 0.59 H new ATOM 588 N ASP A 151 10.262 7.099 3.079 1.00 0.55 N ATOM 589 CA ASP A 151 9.112 6.585 3.820 1.00 0.63 C ATOM 590 C ASP A 151 7.912 6.401 2.909 1.00 0.57 C ATOM 591 O ASP A 151 7.970 6.738 1.746 1.00 0.54 O ATOM 592 CB ASP A 151 8.757 7.473 5.023 1.00 0.71 C ATOM 593 CG ASP A 151 8.263 8.851 4.631 1.00 0.79 C ATOM 594 OD1 ASP A 151 9.090 9.787 4.555 1.00 0.97 O ATOM 595 OD2 ASP A 151 7.048 9.002 4.380 1.00 1.00 O ATOM 0 H ASP A 151 10.033 7.622 2.234 1.00 0.55 H new ATOM 0 HA ASP A 151 9.396 5.608 4.212 1.00 0.63 H new ATOM 0 HB2 ASP A 151 7.990 6.976 5.618 1.00 0.71 H new ATOM 0 HB3 ASP A 151 9.636 7.578 5.659 1.00 0.71 H new ATOM 600 N CYS A 152 6.843 5.820 3.425 1.00 0.66 N ATOM 601 CA CYS A 152 5.679 5.523 2.604 1.00 0.61 C ATOM 602 C CYS A 152 4.389 5.601 3.392 1.00 0.63 C ATOM 603 O CYS A 152 4.371 5.405 4.607 1.00 0.85 O ATOM 604 CB CYS A 152 5.826 4.142 1.972 1.00 0.97 C ATOM 605 SG CYS A 152 4.266 3.302 1.596 1.00 1.56 S ATOM 0 H CYS A 152 6.755 5.545 4.403 1.00 0.66 H new ATOM 0 HA CYS A 152 5.628 6.280 1.822 1.00 0.61 H new ATOM 0 HB2 CYS A 152 6.400 4.240 1.050 1.00 0.97 H new ATOM 0 HB3 CYS A 152 6.408 3.511 2.644 1.00 0.97 H new ATOM 0 HG CYS A 152 4.280 2.892 0.363 1.00 1.56 H new ATOM 611 N VAL A 153 3.323 5.909 2.668 1.00 0.49 N ATOM 612 CA VAL A 153 2.001 6.100 3.220 1.00 0.43 C ATOM 613 C VAL A 153 0.939 5.437 2.367 1.00 0.37 C ATOM 614 O VAL A 153 0.814 5.672 1.163 1.00 0.37 O ATOM 615 CB VAL A 153 1.704 7.597 3.358 1.00 0.43 C ATOM 616 CG1 VAL A 153 0.233 7.847 3.660 1.00 0.41 C ATOM 617 CG2 VAL A 153 2.579 8.230 4.428 1.00 0.60 C ATOM 0 H VAL A 153 3.360 6.035 1.656 1.00 0.49 H new ATOM 0 HA VAL A 153 1.978 5.631 4.204 1.00 0.43 H new ATOM 0 HB VAL A 153 1.936 8.064 2.401 1.00 0.43 H new ATOM 0 HG11 VAL A 153 0.057 8.919 3.752 1.00 0.41 H new ATOM 0 HG12 VAL A 153 -0.378 7.447 2.851 1.00 0.41 H new ATOM 0 HG13 VAL A 153 -0.035 7.354 4.594 1.00 0.41 H new ATOM 0 HG21 VAL A 153 2.348 9.292 4.505 1.00 0.60 H new ATOM 0 HG22 VAL A 153 2.389 7.747 5.386 1.00 0.60 H new ATOM 0 HG23 VAL A 153 3.628 8.105 4.161 1.00 0.60 H new ATOM 627 N VAL A 154 0.224 4.575 3.019 1.00 0.36 N ATOM 628 CA VAL A 154 -0.949 3.939 2.492 1.00 0.34 C ATOM 629 C VAL A 154 -2.118 4.289 3.385 1.00 0.28 C ATOM 630 O VAL A 154 -2.023 4.151 4.591 1.00 0.29 O ATOM 631 CB VAL A 154 -0.786 2.392 2.399 1.00 0.40 C ATOM 632 CG1 VAL A 154 -1.453 1.664 3.526 1.00 0.38 C ATOM 633 CG2 VAL A 154 -1.317 1.909 1.075 1.00 0.45 C ATOM 0 H VAL A 154 0.447 4.282 3.970 1.00 0.36 H new ATOM 0 HA VAL A 154 -1.118 4.298 1.477 1.00 0.34 H new ATOM 0 HB VAL A 154 0.279 2.172 2.478 1.00 0.40 H new ATOM 0 HG11 VAL A 154 -1.304 0.591 3.405 1.00 0.38 H new ATOM 0 HG12 VAL A 154 -1.021 1.986 4.473 1.00 0.38 H new ATOM 0 HG13 VAL A 154 -2.520 1.885 3.521 1.00 0.38 H new ATOM 0 HG21 VAL A 154 -1.203 0.827 1.010 1.00 0.45 H new ATOM 0 HG22 VAL A 154 -2.372 2.168 0.990 1.00 0.45 H new ATOM 0 HG23 VAL A 154 -0.761 2.382 0.266 1.00 0.45 H new ATOM 643 N ARG A 155 -3.176 4.837 2.846 1.00 0.30 N ATOM 644 CA ARG A 155 -4.357 4.993 3.654 1.00 0.33 C ATOM 645 C ARG A 155 -5.581 4.378 3.023 1.00 0.45 C ATOM 646 O ARG A 155 -5.842 4.537 1.838 1.00 0.63 O ATOM 647 CB ARG A 155 -4.601 6.440 4.014 1.00 0.46 C ATOM 648 CG ARG A 155 -5.804 6.665 4.911 1.00 0.79 C ATOM 649 CD ARG A 155 -7.028 7.076 4.118 1.00 1.06 C ATOM 650 NE ARG A 155 -8.111 7.527 4.996 1.00 1.59 N ATOM 651 CZ ARG A 155 -9.306 7.953 4.577 1.00 1.99 C ATOM 652 NH1 ARG A 155 -9.571 8.057 3.283 1.00 2.40 N ATOM 653 NH2 ARG A 155 -10.227 8.302 5.465 1.00 2.42 N ATOM 0 H ARG A 155 -3.246 5.172 1.885 1.00 0.30 H new ATOM 0 HA ARG A 155 -4.167 4.444 4.576 1.00 0.33 H new ATOM 0 HB2 ARG A 155 -3.714 6.834 4.510 1.00 0.46 H new ATOM 0 HB3 ARG A 155 -4.734 7.013 3.097 1.00 0.46 H new ATOM 0 HG2 ARG A 155 -6.020 5.752 5.465 1.00 0.79 H new ATOM 0 HG3 ARG A 155 -5.571 7.436 5.645 1.00 0.79 H new ATOM 0 HD2 ARG A 155 -6.763 7.875 3.426 1.00 1.06 H new ATOM 0 HD3 ARG A 155 -7.372 6.235 3.517 1.00 1.06 H new ATOM 0 HE ARG A 155 -7.940 7.515 6.001 1.00 1.59 H new ATOM 0 HH11 ARG A 155 -8.859 7.811 2.595 1.00 2.40 H new ATOM 0 HH12 ARG A 155 -10.487 8.383 2.975 1.00 2.40 H new ATOM 0 HH21 ARG A 155 -10.021 8.245 6.462 1.00 2.42 H new ATOM 0 HH22 ARG A 155 -11.141 8.628 5.151 1.00 2.42 H new ATOM 667 N PHE A 156 -6.323 3.687 3.845 1.00 0.44 N ATOM 668 CA PHE A 156 -7.604 3.153 3.464 1.00 0.49 C ATOM 669 C PHE A 156 -8.733 3.999 4.051 1.00 0.57 C ATOM 670 O PHE A 156 -8.665 4.428 5.203 1.00 0.71 O ATOM 671 CB PHE A 156 -7.702 1.709 3.941 1.00 0.60 C ATOM 672 CG PHE A 156 -9.060 1.083 3.800 1.00 0.59 C ATOM 673 CD1 PHE A 156 -9.755 1.145 2.602 1.00 0.56 C ATOM 674 CD2 PHE A 156 -9.638 0.424 4.872 1.00 0.77 C ATOM 675 CE1 PHE A 156 -11.000 0.563 2.482 1.00 0.65 C ATOM 676 CE2 PHE A 156 -10.881 -0.160 4.756 1.00 0.82 C ATOM 677 CZ PHE A 156 -11.563 -0.088 3.560 1.00 0.72 C ATOM 0 H PHE A 156 -6.054 3.477 4.806 1.00 0.44 H new ATOM 0 HA PHE A 156 -7.702 3.179 2.379 1.00 0.49 H new ATOM 0 HB2 PHE A 156 -6.983 1.109 3.384 1.00 0.60 H new ATOM 0 HB3 PHE A 156 -7.407 1.668 4.990 1.00 0.60 H new ATOM 0 HD1 PHE A 156 -9.318 1.653 1.755 1.00 0.56 H new ATOM 0 HD2 PHE A 156 -9.108 0.367 5.811 1.00 0.77 H new ATOM 0 HE1 PHE A 156 -11.534 0.617 1.545 1.00 0.65 H new ATOM 0 HE2 PHE A 156 -11.319 -0.673 5.599 1.00 0.82 H new ATOM 0 HZ PHE A 156 -12.539 -0.542 3.467 1.00 0.72 H new ATOM 687 N ALA A 157 -9.765 4.224 3.236 1.00 0.57 N ATOM 688 CA ALA A 157 -10.927 5.031 3.616 1.00 0.65 C ATOM 689 C ALA A 157 -11.606 4.515 4.879 1.00 0.77 C ATOM 690 O ALA A 157 -12.286 5.268 5.573 1.00 0.95 O ATOM 691 CB ALA A 157 -11.926 5.068 2.478 1.00 0.71 C ATOM 0 H ALA A 157 -9.819 3.850 2.289 1.00 0.57 H new ATOM 0 HA ALA A 157 -10.564 6.037 3.828 1.00 0.65 H new ATOM 0 HB1 ALA A 157 -12.787 5.670 2.769 1.00 0.71 H new ATOM 0 HB2 ALA A 157 -11.458 5.507 1.597 1.00 0.71 H new ATOM 0 HB3 ALA A 157 -12.253 4.054 2.248 1.00 0.71 H new ATOM 697 N GLY A 158 -11.425 3.232 5.165 1.00 0.76 N ATOM 698 CA GLY A 158 -12.040 2.634 6.335 1.00 0.94 C ATOM 699 C GLY A 158 -11.205 2.805 7.590 1.00 0.91 C ATOM 700 O GLY A 158 -11.627 2.413 8.678 1.00 1.81 O ATOM 0 H GLY A 158 -10.861 2.592 4.605 1.00 0.76 H new ATOM 0 HA2 GLY A 158 -13.021 3.082 6.493 1.00 0.94 H new ATOM 0 HA3 GLY A 158 -12.200 1.571 6.153 1.00 0.94 H new ATOM 704 N GLY A 159 -10.008 3.365 7.441 1.00 0.72 N ATOM 705 CA GLY A 159 -9.181 3.642 8.599 1.00 0.81 C ATOM 706 C GLY A 159 -7.772 3.089 8.486 1.00 0.60 C ATOM 707 O GLY A 159 -6.808 3.806 8.756 1.00 0.78 O ATOM 0 H GLY A 159 -9.599 3.630 6.545 1.00 0.72 H new ATOM 0 HA2 GLY A 159 -9.128 4.721 8.748 1.00 0.81 H new ATOM 0 HA3 GLY A 159 -9.658 3.221 9.484 1.00 0.81 H new ATOM 711 N GLN A 160 -7.648 1.819 8.103 1.00 0.50 N ATOM 712 CA GLN A 160 -6.360 1.152 8.050 1.00 0.47 C ATOM 713 C GLN A 160 -5.400 1.868 7.118 1.00 0.40 C ATOM 714 O GLN A 160 -5.675 2.100 5.949 1.00 0.56 O ATOM 715 CB GLN A 160 -6.565 -0.303 7.702 1.00 0.71 C ATOM 716 CG GLN A 160 -6.717 -0.579 6.247 1.00 0.64 C ATOM 717 CD GLN A 160 -6.994 -2.039 5.980 1.00 1.08 C ATOM 718 OE1 GLN A 160 -8.148 -2.464 5.925 1.00 1.43 O ATOM 719 NE2 GLN A 160 -5.943 -2.821 5.835 1.00 2.02 N ATOM 0 H GLN A 160 -8.434 1.232 7.824 1.00 0.50 H new ATOM 0 HA GLN A 160 -5.886 1.191 9.031 1.00 0.47 H new ATOM 0 HB2 GLN A 160 -5.718 -0.876 8.080 1.00 0.71 H new ATOM 0 HB3 GLN A 160 -7.452 -0.665 8.221 1.00 0.71 H new ATOM 0 HG2 GLN A 160 -7.531 0.025 5.845 1.00 0.64 H new ATOM 0 HG3 GLN A 160 -5.809 -0.279 5.723 1.00 0.64 H new ATOM 0 HE21 GLN A 160 -5.003 -2.428 5.888 1.00 2.02 H new ATOM 0 HE22 GLN A 160 -6.069 -3.820 5.670 1.00 2.02 H new ATOM 728 N GLN A 161 -4.283 2.251 7.677 1.00 0.38 N ATOM 729 CA GLN A 161 -3.304 3.023 6.979 1.00 0.34 C ATOM 730 C GLN A 161 -1.917 2.571 7.409 1.00 0.39 C ATOM 731 O GLN A 161 -1.638 2.377 8.592 1.00 0.46 O ATOM 732 CB GLN A 161 -3.555 4.518 7.198 1.00 0.35 C ATOM 733 CG GLN A 161 -2.286 5.365 7.187 1.00 1.08 C ATOM 734 CD GLN A 161 -2.553 6.853 7.296 1.00 1.12 C ATOM 735 OE1 GLN A 161 -2.662 7.395 8.392 1.00 1.77 O ATOM 736 NE2 GLN A 161 -2.621 7.531 6.161 1.00 1.46 N ATOM 0 H GLN A 161 -4.030 2.031 8.640 1.00 0.38 H new ATOM 0 HA GLN A 161 -3.378 2.860 5.904 1.00 0.34 H new ATOM 0 HB2 GLN A 161 -4.229 4.881 6.422 1.00 0.35 H new ATOM 0 HB3 GLN A 161 -4.064 4.655 8.152 1.00 0.35 H new ATOM 0 HG2 GLN A 161 -1.646 5.057 8.014 1.00 1.08 H new ATOM 0 HG3 GLN A 161 -1.735 5.169 6.267 1.00 1.08 H new ATOM 0 HE21 GLN A 161 -2.526 7.044 5.270 1.00 1.46 H new ATOM 0 HE22 GLN A 161 -2.769 8.540 6.178 1.00 1.46 H new ATOM 745 N TRP A 162 -1.081 2.389 6.414 1.00 0.39 N ATOM 746 CA TRP A 162 0.155 1.646 6.510 1.00 0.47 C ATOM 747 C TRP A 162 1.176 2.386 5.713 1.00 0.50 C ATOM 748 O TRP A 162 0.865 3.391 5.106 1.00 0.47 O ATOM 749 CB TRP A 162 0.007 0.224 5.982 1.00 0.50 C ATOM 750 CG TRP A 162 -1.316 -0.387 6.369 1.00 0.47 C ATOM 751 CD1 TRP A 162 -2.543 -0.097 5.831 1.00 0.43 C ATOM 752 CD2 TRP A 162 -1.546 -1.369 7.386 1.00 0.53 C ATOM 753 NE1 TRP A 162 -3.524 -0.789 6.501 1.00 0.47 N ATOM 754 CE2 TRP A 162 -2.935 -1.598 7.439 1.00 0.52 C ATOM 755 CE3 TRP A 162 -0.715 -2.071 8.264 1.00 0.62 C ATOM 756 CZ2 TRP A 162 -3.507 -2.497 8.336 1.00 0.60 C ATOM 757 CZ3 TRP A 162 -1.284 -2.965 9.151 1.00 0.68 C ATOM 758 CH2 TRP A 162 -2.667 -3.172 9.180 1.00 0.67 C ATOM 0 H TRP A 162 -1.248 2.768 5.482 1.00 0.39 H new ATOM 0 HA TRP A 162 0.451 1.561 7.556 1.00 0.47 H new ATOM 0 HB2 TRP A 162 0.100 0.229 4.896 1.00 0.50 H new ATOM 0 HB3 TRP A 162 0.818 -0.393 6.369 1.00 0.50 H new ATOM 0 HD1 TRP A 162 -2.714 0.575 5.003 1.00 0.43 H new ATOM 0 HE1 TRP A 162 -4.526 -0.713 6.329 1.00 0.47 H new ATOM 0 HE3 TRP A 162 0.354 -1.917 8.249 1.00 0.62 H new ATOM 0 HZ2 TRP A 162 -4.575 -2.656 8.365 1.00 0.60 H new ATOM 0 HZ3 TRP A 162 -0.650 -3.513 9.833 1.00 0.68 H new ATOM 0 HH2 TRP A 162 -3.081 -3.879 9.883 1.00 0.67 H new ATOM 769 N GLY A 163 2.387 1.959 5.768 1.00 0.58 N ATOM 770 CA GLY A 163 3.410 2.705 5.129 1.00 0.63 C ATOM 771 C GLY A 163 4.681 1.920 4.981 1.00 0.62 C ATOM 772 O GLY A 163 4.673 0.700 4.948 1.00 0.63 O ATOM 0 H GLY A 163 2.691 1.109 6.242 1.00 0.58 H new ATOM 0 HA2 GLY A 163 3.065 3.022 4.145 1.00 0.63 H new ATOM 0 HA3 GLY A 163 3.609 3.610 5.703 1.00 0.63 H new ATOM 776 N GLY A 164 5.767 2.630 4.850 1.00 0.66 N ATOM 777 CA GLY A 164 7.059 2.002 4.776 1.00 0.66 C ATOM 778 C GLY A 164 8.133 2.936 5.227 1.00 0.63 C ATOM 779 O GLY A 164 7.912 4.141 5.311 1.00 0.69 O ATOM 0 H GLY A 164 5.784 3.648 4.792 1.00 0.66 H new ATOM 0 HA2 GLY A 164 7.068 1.105 5.396 1.00 0.66 H new ATOM 0 HA3 GLY A 164 7.255 1.684 3.752 1.00 0.66 H new ATOM 783 N VAL A 165 9.284 2.392 5.540 1.00 0.61 N ATOM 784 CA VAL A 165 10.351 3.187 6.055 1.00 0.59 C ATOM 785 C VAL A 165 11.657 2.783 5.381 1.00 0.60 C ATOM 786 O VAL A 165 12.050 1.618 5.376 1.00 0.78 O ATOM 787 CB VAL A 165 10.417 3.074 7.598 1.00 0.73 C ATOM 788 CG1 VAL A 165 10.950 1.723 8.053 1.00 0.96 C ATOM 789 CG2 VAL A 165 11.229 4.215 8.194 1.00 0.88 C ATOM 0 H VAL A 165 9.497 1.399 5.444 1.00 0.61 H new ATOM 0 HA VAL A 165 10.173 4.238 5.828 1.00 0.59 H new ATOM 0 HB VAL A 165 9.395 3.153 7.970 1.00 0.73 H new ATOM 0 HG11 VAL A 165 10.978 1.691 9.142 1.00 0.96 H new ATOM 0 HG12 VAL A 165 10.298 0.931 7.683 1.00 0.96 H new ATOM 0 HG13 VAL A 165 11.956 1.578 7.660 1.00 0.96 H new ATOM 0 HG21 VAL A 165 11.260 4.112 9.279 1.00 0.88 H new ATOM 0 HG22 VAL A 165 12.244 4.185 7.798 1.00 0.88 H new ATOM 0 HG23 VAL A 165 10.766 5.166 7.933 1.00 0.88 H new ATOM 799 N PHE A 166 12.273 3.747 4.748 1.00 0.55 N ATOM 800 CA PHE A 166 13.472 3.558 4.005 1.00 0.61 C ATOM 801 C PHE A 166 14.486 4.572 4.493 1.00 0.61 C ATOM 802 O PHE A 166 14.129 5.603 5.054 1.00 0.84 O ATOM 803 CB PHE A 166 13.160 3.746 2.521 1.00 1.00 C ATOM 804 CG PHE A 166 12.321 2.641 1.940 1.00 1.66 C ATOM 805 CD1 PHE A 166 12.890 1.420 1.614 1.00 1.99 C ATOM 806 CD2 PHE A 166 10.967 2.825 1.714 1.00 2.17 C ATOM 807 CE1 PHE A 166 12.124 0.405 1.073 1.00 2.71 C ATOM 808 CE2 PHE A 166 10.196 1.812 1.176 1.00 2.96 C ATOM 809 CZ PHE A 166 10.764 0.597 0.877 1.00 3.19 C ATOM 0 H PHE A 166 11.937 4.710 4.741 1.00 0.55 H new ATOM 0 HA PHE A 166 13.880 2.557 4.142 1.00 0.61 H new ATOM 0 HB2 PHE A 166 12.642 4.695 2.384 1.00 1.00 H new ATOM 0 HB3 PHE A 166 14.096 3.811 1.966 1.00 1.00 H new ATOM 0 HD1 PHE A 166 13.944 1.260 1.785 1.00 1.99 H new ATOM 0 HD2 PHE A 166 10.508 3.771 1.961 1.00 2.17 H new ATOM 0 HE1 PHE A 166 12.583 -0.535 0.804 1.00 2.71 H new ATOM 0 HE2 PHE A 166 9.145 1.976 0.990 1.00 2.96 H new ATOM 0 HZ PHE A 166 10.154 -0.206 0.491 1.00 3.19 H new ATOM 819 N TYR A 167 15.734 4.262 4.333 1.00 0.74 N ATOM 820 CA TYR A 167 16.785 5.170 4.741 1.00 1.06 C ATOM 821 C TYR A 167 17.288 5.980 3.586 1.00 0.98 C ATOM 822 O TYR A 167 18.019 6.951 3.772 1.00 1.22 O ATOM 823 CB TYR A 167 17.927 4.429 5.430 1.00 1.45 C ATOM 824 CG TYR A 167 17.739 4.324 6.920 1.00 2.10 C ATOM 825 CD1 TYR A 167 17.101 3.223 7.461 1.00 2.48 C ATOM 826 CD2 TYR A 167 18.212 5.306 7.782 1.00 2.87 C ATOM 827 CE1 TYR A 167 16.934 3.092 8.826 1.00 3.52 C ATOM 828 CE2 TYR A 167 18.047 5.187 9.149 1.00 3.88 C ATOM 829 CZ TYR A 167 17.378 4.183 9.669 1.00 4.19 C ATOM 830 OH TYR A 167 17.251 3.953 11.027 1.00 5.30 O ATOM 0 H TYR A 167 16.061 3.387 3.923 1.00 0.74 H new ATOM 0 HA TYR A 167 16.353 5.860 5.466 1.00 1.06 H new ATOM 0 HB2 TYR A 167 18.012 3.428 5.008 1.00 1.45 H new ATOM 0 HB3 TYR A 167 18.865 4.943 5.222 1.00 1.45 H new ATOM 0 HD1 TYR A 167 16.726 2.452 6.805 1.00 2.48 H new ATOM 0 HD2 TYR A 167 18.715 6.173 7.379 1.00 2.87 H new ATOM 0 HE1 TYR A 167 16.487 2.205 9.251 1.00 3.52 H new ATOM 0 HE2 TYR A 167 18.476 5.933 9.802 1.00 3.88 H new ATOM 0 HH TYR A 167 17.573 4.735 11.523 1.00 5.30 H new ATOM 840 N ALA A 168 16.904 5.592 2.394 1.00 0.72 N ATOM 841 CA ALA A 168 17.542 6.140 1.235 1.00 0.72 C ATOM 842 C ALA A 168 16.717 5.967 -0.022 1.00 0.54 C ATOM 843 O ALA A 168 15.841 5.107 -0.098 1.00 0.67 O ATOM 844 CB ALA A 168 18.909 5.496 1.075 1.00 1.03 C ATOM 0 H ALA A 168 16.167 4.912 2.208 1.00 0.72 H new ATOM 0 HA ALA A 168 17.648 7.215 1.383 1.00 0.72 H new ATOM 0 HB1 ALA A 168 19.404 5.906 0.195 1.00 1.03 H new ATOM 0 HB2 ALA A 168 19.513 5.700 1.959 1.00 1.03 H new ATOM 0 HB3 ALA A 168 18.792 4.419 0.956 1.00 1.03 H new ATOM 850 N GLU A 169 17.001 6.872 -0.945 1.00 0.55 N ATOM 851 CA GLU A 169 16.624 6.833 -2.386 1.00 0.73 C ATOM 852 C GLU A 169 15.132 6.856 -2.667 1.00 0.54 C ATOM 853 O GLU A 169 14.634 7.809 -3.261 1.00 0.78 O ATOM 854 CB GLU A 169 17.234 5.643 -3.162 1.00 1.19 C ATOM 855 CG GLU A 169 16.976 4.271 -2.565 1.00 1.40 C ATOM 856 CD GLU A 169 17.229 3.150 -3.552 1.00 1.80 C ATOM 857 OE1 GLU A 169 16.465 3.037 -4.538 1.00 2.18 O ATOM 858 OE2 GLU A 169 18.180 2.367 -3.340 1.00 2.02 O ATOM 0 H GLU A 169 17.532 7.712 -0.715 1.00 0.55 H new ATOM 0 HA GLU A 169 17.054 7.768 -2.746 1.00 0.73 H new ATOM 0 HB2 GLU A 169 16.843 5.657 -4.179 1.00 1.19 H new ATOM 0 HB3 GLU A 169 18.311 5.792 -3.233 1.00 1.19 H new ATOM 0 HG2 GLU A 169 17.614 4.133 -1.692 1.00 1.40 H new ATOM 0 HG3 GLU A 169 15.944 4.218 -2.217 1.00 1.40 H new ATOM 865 N ILE A 170 14.466 5.810 -2.225 1.00 0.56 N ATOM 866 CA ILE A 170 13.150 5.386 -2.701 1.00 0.54 C ATOM 867 C ILE A 170 12.269 6.514 -3.267 1.00 0.55 C ATOM 868 O ILE A 170 11.476 7.141 -2.593 1.00 0.65 O ATOM 869 CB ILE A 170 12.438 4.528 -1.604 1.00 0.67 C ATOM 870 CG1 ILE A 170 12.616 3.047 -1.917 1.00 0.97 C ATOM 871 CG2 ILE A 170 10.960 4.827 -1.426 1.00 0.83 C ATOM 872 CD1 ILE A 170 14.035 2.565 -1.796 1.00 1.07 C ATOM 0 H ILE A 170 14.835 5.202 -1.494 1.00 0.56 H new ATOM 0 HA ILE A 170 13.319 4.757 -3.575 1.00 0.54 H new ATOM 0 HB ILE A 170 12.917 4.798 -0.663 1.00 0.67 H new ATOM 0 HG12 ILE A 170 11.986 2.465 -1.244 1.00 0.97 H new ATOM 0 HG13 ILE A 170 12.262 2.855 -2.930 1.00 0.97 H new ATOM 0 HG21 ILE A 170 10.550 4.186 -0.646 1.00 0.83 H new ATOM 0 HG22 ILE A 170 10.832 5.871 -1.142 1.00 0.83 H new ATOM 0 HG23 ILE A 170 10.435 4.639 -2.363 1.00 0.83 H new ATOM 0 HD11 ILE A 170 14.080 1.502 -2.034 1.00 1.07 H new ATOM 0 HD12 ILE A 170 14.668 3.119 -2.489 1.00 1.07 H new ATOM 0 HD13 ILE A 170 14.387 2.724 -0.777 1.00 1.07 H new ATOM 884 N LYS A 171 12.469 6.807 -4.536 1.00 0.67 N ATOM 885 CA LYS A 171 11.471 7.536 -5.293 1.00 0.79 C ATOM 886 C LYS A 171 10.972 6.627 -6.379 1.00 0.84 C ATOM 887 O LYS A 171 10.021 6.915 -7.097 1.00 0.92 O ATOM 888 CB LYS A 171 12.077 8.775 -5.929 1.00 1.11 C ATOM 889 CG LYS A 171 13.560 8.635 -6.187 1.00 1.14 C ATOM 890 CD LYS A 171 14.146 9.891 -6.815 1.00 1.48 C ATOM 891 CE LYS A 171 13.425 10.265 -8.101 1.00 1.91 C ATOM 892 NZ LYS A 171 13.552 9.211 -9.144 1.00 2.68 N ATOM 0 H LYS A 171 13.306 6.554 -5.061 1.00 0.67 H new ATOM 0 HA LYS A 171 10.664 7.849 -4.631 1.00 0.79 H new ATOM 0 HB2 LYS A 171 11.567 8.981 -6.870 1.00 1.11 H new ATOM 0 HB3 LYS A 171 11.905 9.633 -5.279 1.00 1.11 H new ATOM 0 HG2 LYS A 171 14.074 8.424 -5.249 1.00 1.14 H new ATOM 0 HG3 LYS A 171 13.736 7.784 -6.845 1.00 1.14 H new ATOM 0 HD2 LYS A 171 14.080 10.717 -6.107 1.00 1.48 H new ATOM 0 HD3 LYS A 171 15.204 9.734 -7.023 1.00 1.48 H new ATOM 0 HE2 LYS A 171 12.370 10.437 -7.887 1.00 1.91 H new ATOM 0 HE3 LYS A 171 13.830 11.202 -8.483 1.00 1.91 H new ATOM 0 HZ1 LYS A 171 13.104 9.538 -10.024 1.00 2.68 H new ATOM 0 HZ2 LYS A 171 14.558 9.016 -9.320 1.00 2.68 H new ATOM 0 HZ3 LYS A 171 13.083 8.342 -8.818 1.00 2.68 H new ATOM 906 N SER A 172 11.643 5.510 -6.459 1.00 0.92 N ATOM 907 CA SER A 172 11.230 4.401 -7.255 1.00 1.13 C ATOM 908 C SER A 172 10.060 3.687 -6.602 1.00 1.05 C ATOM 909 O SER A 172 9.103 3.294 -7.256 1.00 1.12 O ATOM 910 CB SER A 172 12.447 3.533 -7.455 1.00 1.45 C ATOM 911 OG SER A 172 12.122 2.196 -7.791 1.00 1.86 O ATOM 0 H SER A 172 12.515 5.348 -5.956 1.00 0.92 H new ATOM 0 HA SER A 172 10.858 4.707 -8.233 1.00 1.13 H new ATOM 0 HB2 SER A 172 13.066 3.960 -8.244 1.00 1.45 H new ATOM 0 HB3 SER A 172 13.044 3.538 -6.543 1.00 1.45 H new ATOM 0 HG SER A 172 12.946 1.679 -7.910 1.00 1.86 H new ATOM 917 N SER A 173 10.159 3.519 -5.296 1.00 1.00 N ATOM 918 CA SER A 173 9.044 3.059 -4.502 1.00 1.09 C ATOM 919 C SER A 173 8.093 4.218 -4.223 1.00 0.94 C ATOM 920 O SER A 173 6.976 4.013 -3.790 1.00 1.14 O ATOM 921 CB SER A 173 9.526 2.380 -3.222 1.00 1.24 C ATOM 922 OG SER A 173 10.200 1.169 -3.525 1.00 1.47 O ATOM 0 H SER A 173 11.010 3.697 -4.763 1.00 1.00 H new ATOM 0 HA SER A 173 8.492 2.305 -5.063 1.00 1.09 H new ATOM 0 HB2 SER A 173 10.194 3.048 -2.678 1.00 1.24 H new ATOM 0 HB3 SER A 173 8.677 2.177 -2.569 1.00 1.24 H new ATOM 0 HG SER A 173 10.504 0.747 -2.694 1.00 1.47 H new ATOM 928 N CYS A 174 8.522 5.441 -4.560 1.00 0.76 N ATOM 929 CA CYS A 174 7.657 6.619 -4.437 1.00 0.85 C ATOM 930 C CYS A 174 6.685 6.577 -5.568 1.00 0.73 C ATOM 931 O CYS A 174 5.736 7.358 -5.652 1.00 0.88 O ATOM 932 CB CYS A 174 8.429 7.917 -4.591 1.00 1.09 C ATOM 933 SG CYS A 174 9.129 8.590 -3.080 1.00 1.63 S ATOM 0 H CYS A 174 9.457 5.639 -4.917 1.00 0.76 H new ATOM 0 HA CYS A 174 7.191 6.594 -3.452 1.00 0.85 H new ATOM 0 HB2 CYS A 174 9.238 7.755 -5.304 1.00 1.09 H new ATOM 0 HB3 CYS A 174 7.765 8.664 -5.026 1.00 1.09 H new ATOM 0 HG CYS A 174 10.088 7.817 -2.665 1.00 1.63 H new ATOM 939 N ALA A 175 6.970 5.658 -6.443 1.00 0.63 N ATOM 940 CA ALA A 175 6.139 5.410 -7.564 1.00 0.66 C ATOM 941 C ALA A 175 4.971 4.564 -7.098 1.00 0.59 C ATOM 942 O ALA A 175 5.166 3.474 -6.569 1.00 0.65 O ATOM 943 CB ALA A 175 6.932 4.727 -8.657 1.00 0.80 C ATOM 0 H ALA A 175 7.794 5.059 -6.390 1.00 0.63 H new ATOM 0 HA ALA A 175 5.760 6.342 -7.984 1.00 0.66 H new ATOM 0 HB1 ALA A 175 6.285 4.541 -9.514 1.00 0.80 H new ATOM 0 HB2 ALA A 175 7.760 5.368 -8.960 1.00 0.80 H new ATOM 0 HB3 ALA A 175 7.323 3.780 -8.285 1.00 0.80 H new ATOM 949 N LYS A 176 3.764 5.072 -7.247 1.00 0.60 N ATOM 950 CA LYS A 176 2.604 4.388 -6.712 1.00 0.59 C ATOM 951 C LYS A 176 1.450 4.443 -7.677 1.00 0.53 C ATOM 952 O LYS A 176 1.167 5.489 -8.263 1.00 0.66 O ATOM 953 CB LYS A 176 2.148 5.005 -5.392 1.00 0.83 C ATOM 954 CG LYS A 176 3.170 5.888 -4.718 1.00 0.84 C ATOM 955 CD LYS A 176 2.503 6.919 -3.820 1.00 1.59 C ATOM 956 CE LYS A 176 1.577 6.273 -2.799 1.00 2.27 C ATOM 957 NZ LYS A 176 2.310 5.418 -1.827 1.00 2.95 N ATOM 0 H LYS A 176 3.562 5.948 -7.729 1.00 0.60 H new ATOM 0 HA LYS A 176 2.904 3.353 -6.547 1.00 0.59 H new ATOM 0 HB2 LYS A 176 1.246 5.590 -5.573 1.00 0.83 H new ATOM 0 HB3 LYS A 176 1.875 4.202 -4.707 1.00 0.83 H new ATOM 0 HG2 LYS A 176 3.851 5.275 -4.128 1.00 0.84 H new ATOM 0 HG3 LYS A 176 3.771 6.395 -5.473 1.00 0.84 H new ATOM 0 HD2 LYS A 176 3.268 7.497 -3.301 1.00 1.59 H new ATOM 0 HD3 LYS A 176 1.935 7.620 -4.432 1.00 1.59 H new ATOM 0 HE2 LYS A 176 1.037 7.051 -2.259 1.00 2.27 H new ATOM 0 HE3 LYS A 176 0.832 5.670 -3.319 1.00 2.27 H new ATOM 0 HZ1 LYS A 176 1.697 4.635 -1.523 1.00 2.95 H new ATOM 0 HZ2 LYS A 176 3.165 5.034 -2.278 1.00 2.95 H new ATOM 0 HZ3 LYS A 176 2.581 5.987 -1.000 1.00 2.95 H new ATOM 971 N VAL A 177 0.777 3.329 -7.836 1.00 0.43 N ATOM 972 CA VAL A 177 -0.482 3.329 -8.556 1.00 0.41 C ATOM 973 C VAL A 177 -1.600 2.765 -7.708 1.00 0.37 C ATOM 974 O VAL A 177 -1.433 1.771 -7.010 1.00 0.41 O ATOM 975 CB VAL A 177 -0.406 2.589 -9.908 1.00 0.49 C ATOM 976 CG1 VAL A 177 -1.742 2.660 -10.628 1.00 0.68 C ATOM 977 CG2 VAL A 177 0.704 3.157 -10.781 1.00 0.77 C ATOM 0 H VAL A 177 1.072 2.419 -7.483 1.00 0.43 H new ATOM 0 HA VAL A 177 -0.700 4.374 -8.778 1.00 0.41 H new ATOM 0 HB VAL A 177 -0.174 1.543 -9.709 1.00 0.49 H new ATOM 0 HG11 VAL A 177 -1.671 2.133 -11.580 1.00 0.68 H new ATOM 0 HG12 VAL A 177 -2.512 2.195 -10.013 1.00 0.68 H new ATOM 0 HG13 VAL A 177 -2.003 3.703 -10.809 1.00 0.68 H new ATOM 0 HG21 VAL A 177 0.735 2.617 -11.727 1.00 0.77 H new ATOM 0 HG22 VAL A 177 0.513 4.213 -10.972 1.00 0.77 H new ATOM 0 HG23 VAL A 177 1.661 3.048 -10.270 1.00 0.77 H new ATOM 987 N GLN A 178 -2.740 3.419 -7.781 1.00 0.38 N ATOM 988 CA GLN A 178 -3.888 3.048 -7.004 1.00 0.37 C ATOM 989 C GLN A 178 -5.081 2.834 -7.916 1.00 0.33 C ATOM 990 O GLN A 178 -5.249 3.537 -8.919 1.00 0.40 O ATOM 991 CB GLN A 178 -4.183 4.170 -6.017 1.00 0.48 C ATOM 992 CG GLN A 178 -5.155 3.823 -4.907 1.00 0.64 C ATOM 993 CD GLN A 178 -6.520 4.417 -5.145 1.00 1.70 C ATOM 994 OE1 GLN A 178 -7.370 3.792 -5.748 1.00 2.52 O ATOM 995 NE2 GLN A 178 -6.727 5.643 -4.697 1.00 2.30 N ATOM 0 H GLN A 178 -2.890 4.226 -8.386 1.00 0.38 H new ATOM 0 HA GLN A 178 -3.692 2.120 -6.467 1.00 0.37 H new ATOM 0 HB2 GLN A 178 -3.244 4.491 -5.567 1.00 0.48 H new ATOM 0 HB3 GLN A 178 -4.579 5.022 -6.570 1.00 0.48 H new ATOM 0 HG2 GLN A 178 -5.240 2.739 -4.826 1.00 0.64 H new ATOM 0 HG3 GLN A 178 -4.763 4.184 -3.956 1.00 0.64 H new ATOM 0 HE21 GLN A 178 -5.987 6.134 -4.195 1.00 2.30 H new ATOM 0 HE22 GLN A 178 -7.626 6.098 -4.853 1.00 2.30 H new ATOM 1004 N THR A 179 -5.895 1.860 -7.573 1.00 0.32 N ATOM 1005 CA THR A 179 -7.102 1.580 -8.333 1.00 0.32 C ATOM 1006 C THR A 179 -8.318 1.727 -7.442 1.00 0.31 C ATOM 1007 O THR A 179 -8.380 1.124 -6.378 1.00 0.30 O ATOM 1008 CB THR A 179 -7.088 0.160 -8.919 1.00 0.33 C ATOM 1009 OG1 THR A 179 -5.850 -0.075 -9.602 1.00 0.36 O ATOM 1010 CG2 THR A 179 -8.247 -0.039 -9.883 1.00 0.42 C ATOM 0 H THR A 179 -5.746 1.246 -6.772 1.00 0.32 H new ATOM 0 HA THR A 179 -7.143 2.295 -9.155 1.00 0.32 H new ATOM 0 HB THR A 179 -7.192 -0.549 -8.098 1.00 0.33 H new ATOM 0 HG1 THR A 179 -5.526 -0.976 -9.391 1.00 0.36 H new ATOM 0 HG21 THR A 179 -8.216 -1.052 -10.285 1.00 0.42 H new ATOM 0 HG22 THR A 179 -9.189 0.114 -9.356 1.00 0.42 H new ATOM 0 HG23 THR A 179 -8.168 0.678 -10.700 1.00 0.42 H new ATOM 1018 N ARG A 180 -9.267 2.536 -7.877 1.00 0.38 N ATOM 1019 CA ARG A 180 -10.496 2.751 -7.139 1.00 0.44 C ATOM 1020 C ARG A 180 -11.652 2.830 -8.111 1.00 0.55 C ATOM 1021 O ARG A 180 -11.481 3.260 -9.256 1.00 0.64 O ATOM 1022 CB ARG A 180 -10.432 4.031 -6.297 1.00 0.60 C ATOM 1023 CG ARG A 180 -10.258 5.324 -7.099 1.00 0.95 C ATOM 1024 CD ARG A 180 -8.857 5.442 -7.679 1.00 1.44 C ATOM 1025 NE ARG A 180 -8.635 6.695 -8.398 1.00 1.98 N ATOM 1026 CZ ARG A 180 -7.490 7.373 -8.356 1.00 2.68 C ATOM 1027 NH1 ARG A 180 -6.494 6.942 -7.593 1.00 3.12 N ATOM 1028 NH2 ARG A 180 -7.344 8.479 -9.071 1.00 3.41 N ATOM 0 H ARG A 180 -9.207 3.061 -8.750 1.00 0.38 H new ATOM 0 HA ARG A 180 -10.638 1.914 -6.456 1.00 0.44 H new ATOM 0 HB2 ARG A 180 -11.346 4.107 -5.708 1.00 0.60 H new ATOM 0 HB3 ARG A 180 -9.605 3.944 -5.593 1.00 0.60 H new ATOM 0 HG2 ARG A 180 -10.990 5.353 -7.906 1.00 0.95 H new ATOM 0 HG3 ARG A 180 -10.459 6.181 -6.456 1.00 0.95 H new ATOM 0 HD2 ARG A 180 -8.129 5.360 -6.872 1.00 1.44 H new ATOM 0 HD3 ARG A 180 -8.679 4.606 -8.355 1.00 1.44 H new ATOM 0 HE ARG A 180 -9.398 7.070 -8.962 1.00 1.98 H new ATOM 0 HH11 ARG A 180 -6.606 6.092 -7.040 1.00 3.12 H new ATOM 0 HH12 ARG A 180 -5.616 7.460 -7.560 1.00 3.12 H new ATOM 0 HH21 ARG A 180 -8.110 8.813 -9.656 1.00 3.41 H new ATOM 0 HH22 ARG A 180 -6.466 8.996 -9.037 1.00 3.41 H new ATOM 1042 N LYS A 181 -12.817 2.417 -7.652 1.00 0.61 N ATOM 1043 CA LYS A 181 -13.993 2.324 -8.505 1.00 0.75 C ATOM 1044 C LYS A 181 -15.183 1.835 -7.704 1.00 0.71 C ATOM 1045 O LYS A 181 -16.329 2.129 -8.030 1.00 0.89 O ATOM 1046 CB LYS A 181 -13.732 1.344 -9.647 1.00 0.91 C ATOM 1047 CG LYS A 181 -13.596 -0.092 -9.176 1.00 0.92 C ATOM 1048 CD LYS A 181 -12.994 -0.967 -10.261 1.00 1.36 C ATOM 1049 CE LYS A 181 -12.915 -2.421 -9.838 1.00 1.64 C ATOM 1050 NZ LYS A 181 -12.473 -3.290 -10.959 1.00 2.13 N ATOM 0 H LYS A 181 -12.978 2.137 -6.684 1.00 0.61 H new ATOM 0 HA LYS A 181 -14.206 3.314 -8.908 1.00 0.75 H new ATOM 0 HB2 LYS A 181 -14.547 1.409 -10.367 1.00 0.91 H new ATOM 0 HB3 LYS A 181 -12.821 1.637 -10.169 1.00 0.91 H new ATOM 0 HG2 LYS A 181 -12.969 -0.128 -8.285 1.00 0.92 H new ATOM 0 HG3 LYS A 181 -14.575 -0.480 -8.893 1.00 0.92 H new ATOM 0 HD2 LYS A 181 -13.594 -0.885 -11.167 1.00 1.36 H new ATOM 0 HD3 LYS A 181 -11.995 -0.606 -10.506 1.00 1.36 H new ATOM 0 HE2 LYS A 181 -12.221 -2.521 -9.003 1.00 1.64 H new ATOM 0 HE3 LYS A 181 -13.891 -2.751 -9.483 1.00 1.64 H new ATOM 0 HZ1 LYS A 181 -12.430 -4.278 -10.636 1.00 2.13 H new ATOM 0 HZ2 LYS A 181 -13.149 -3.212 -11.746 1.00 2.13 H new ATOM 0 HZ3 LYS A 181 -11.531 -2.989 -11.281 1.00 2.13 H new ATOM 1064 N GLY A 182 -14.897 1.091 -6.652 1.00 0.64 N ATOM 1065 CA GLY A 182 -15.944 0.432 -5.924 1.00 0.73 C ATOM 1066 C GLY A 182 -15.437 -0.230 -4.671 1.00 0.65 C ATOM 1067 O GLY A 182 -15.096 0.432 -3.694 1.00 0.78 O ATOM 0 H GLY A 182 -13.956 0.934 -6.292 1.00 0.64 H new ATOM 0 HA2 GLY A 182 -16.715 1.157 -5.663 1.00 0.73 H new ATOM 0 HA3 GLY A 182 -16.413 -0.316 -6.563 1.00 0.73 H new ATOM 1071 N SER A 183 -15.366 -1.542 -4.721 1.00 0.61 N ATOM 1072 CA SER A 183 -14.928 -2.331 -3.587 1.00 0.70 C ATOM 1073 C SER A 183 -13.480 -2.776 -3.755 1.00 0.66 C ATOM 1074 O SER A 183 -13.003 -3.660 -3.047 1.00 0.81 O ATOM 1075 CB SER A 183 -15.857 -3.532 -3.406 1.00 0.88 C ATOM 1076 OG SER A 183 -16.231 -4.074 -4.661 1.00 1.60 O ATOM 0 H SER A 183 -15.609 -2.092 -5.545 1.00 0.61 H new ATOM 0 HA SER A 183 -14.975 -1.714 -2.690 1.00 0.70 H new ATOM 0 HB2 SER A 183 -15.359 -4.296 -2.809 1.00 0.88 H new ATOM 0 HB3 SER A 183 -16.748 -3.229 -2.856 1.00 0.88 H new ATOM 0 HG SER A 183 -16.824 -4.842 -4.522 1.00 1.60 H new ATOM 1082 N LEU A 184 -12.785 -2.174 -4.706 1.00 0.53 N ATOM 1083 CA LEU A 184 -11.376 -2.466 -4.894 1.00 0.51 C ATOM 1084 C LEU A 184 -10.535 -1.201 -4.853 1.00 0.39 C ATOM 1085 O LEU A 184 -10.735 -0.286 -5.652 1.00 0.43 O ATOM 1086 CB LEU A 184 -11.144 -3.194 -6.221 1.00 0.68 C ATOM 1087 CG LEU A 184 -10.847 -4.690 -6.098 1.00 1.14 C ATOM 1088 CD1 LEU A 184 -9.738 -4.921 -5.082 1.00 1.80 C ATOM 1089 CD2 LEU A 184 -12.102 -5.462 -5.718 1.00 2.15 C ATOM 0 H LEU A 184 -13.170 -1.487 -5.354 1.00 0.53 H new ATOM 0 HA LEU A 184 -11.068 -3.112 -4.072 1.00 0.51 H new ATOM 0 HB2 LEU A 184 -12.027 -3.065 -6.847 1.00 0.68 H new ATOM 0 HB3 LEU A 184 -10.313 -2.716 -6.739 1.00 0.68 H new ATOM 0 HG LEU A 184 -10.511 -5.059 -7.067 1.00 1.14 H new ATOM 0 HD11 LEU A 184 -9.534 -5.989 -5.002 1.00 1.80 H new ATOM 0 HD12 LEU A 184 -8.835 -4.403 -5.405 1.00 1.80 H new ATOM 0 HD13 LEU A 184 -10.049 -4.537 -4.110 1.00 1.80 H new ATOM 0 HD21 LEU A 184 -11.866 -6.523 -5.637 1.00 2.15 H new ATOM 0 HD22 LEU A 184 -12.477 -5.099 -4.761 1.00 2.15 H new ATOM 0 HD23 LEU A 184 -12.864 -5.318 -6.484 1.00 2.15 H new ATOM 1101 N LEU A 185 -9.606 -1.174 -3.903 1.00 0.32 N ATOM 1102 CA LEU A 185 -8.578 -0.146 -3.814 1.00 0.30 C ATOM 1103 C LEU A 185 -7.238 -0.822 -3.984 1.00 0.29 C ATOM 1104 O LEU A 185 -7.013 -1.875 -3.428 1.00 0.48 O ATOM 1105 CB LEU A 185 -8.600 0.596 -2.467 1.00 0.38 C ATOM 1106 CG LEU A 185 -9.730 1.616 -2.256 1.00 0.55 C ATOM 1107 CD1 LEU A 185 -11.100 1.032 -2.563 1.00 0.99 C ATOM 1108 CD2 LEU A 185 -9.698 2.128 -0.826 1.00 1.07 C ATOM 0 H LEU A 185 -9.546 -1.875 -3.164 1.00 0.32 H new ATOM 0 HA LEU A 185 -8.763 0.596 -4.591 1.00 0.30 H new ATOM 0 HB2 LEU A 185 -8.660 -0.146 -1.671 1.00 0.38 H new ATOM 0 HB3 LEU A 185 -7.648 1.114 -2.349 1.00 0.38 H new ATOM 0 HG LEU A 185 -9.563 2.438 -2.952 1.00 0.55 H new ATOM 0 HD11 LEU A 185 -11.864 1.791 -2.399 1.00 0.99 H new ATOM 0 HD12 LEU A 185 -11.131 0.704 -3.602 1.00 0.99 H new ATOM 0 HD13 LEU A 185 -11.288 0.181 -1.908 1.00 0.99 H new ATOM 0 HD21 LEU A 185 -10.501 2.851 -0.680 1.00 1.07 H new ATOM 0 HD22 LEU A 185 -9.832 1.294 -0.138 1.00 1.07 H new ATOM 0 HD23 LEU A 185 -8.738 2.607 -0.633 1.00 1.07 H new ATOM 1120 N HIS A 186 -6.384 -0.247 -4.784 1.00 0.27 N ATOM 1121 CA HIS A 186 -5.112 -0.870 -5.140 1.00 0.30 C ATOM 1122 C HIS A 186 -3.941 0.028 -4.813 1.00 0.40 C ATOM 1123 O HIS A 186 -4.029 1.218 -5.022 1.00 0.67 O ATOM 1124 CB HIS A 186 -5.072 -1.110 -6.633 1.00 0.44 C ATOM 1125 CG HIS A 186 -5.822 -2.320 -7.115 1.00 0.67 C ATOM 1126 ND1 HIS A 186 -5.569 -2.909 -8.335 1.00 1.18 N ATOM 1127 CD2 HIS A 186 -6.816 -3.048 -6.551 1.00 1.54 C ATOM 1128 CE1 HIS A 186 -6.370 -3.940 -8.500 1.00 1.51 C ATOM 1129 NE2 HIS A 186 -7.136 -4.050 -7.434 1.00 1.79 N ATOM 0 H HIS A 186 -6.537 0.665 -5.214 1.00 0.27 H new ATOM 0 HA HIS A 186 -5.037 -1.798 -4.573 1.00 0.30 H new ATOM 0 HB2 HIS A 186 -5.475 -0.231 -7.135 1.00 0.44 H new ATOM 0 HB3 HIS A 186 -4.030 -1.204 -6.940 1.00 0.44 H new ATOM 0 HD2 HIS A 186 -7.271 -2.873 -5.587 1.00 1.54 H new ATOM 0 HE1 HIS A 186 -6.395 -4.587 -9.364 1.00 1.51 H new ATOM 0 HE2 HIS A 186 -7.850 -4.763 -7.288 1.00 1.79 H new ATOM 1138 N LEU A 187 -2.864 -0.530 -4.303 1.00 0.32 N ATOM 1139 CA LEU A 187 -1.598 0.138 -4.310 1.00 0.37 C ATOM 1140 C LEU A 187 -0.647 -0.788 -5.017 1.00 0.36 C ATOM 1141 O LEU A 187 -0.441 -1.916 -4.555 1.00 0.35 O ATOM 1142 CB LEU A 187 -1.093 0.388 -2.891 1.00 0.43 C ATOM 1143 CG LEU A 187 -0.096 1.548 -2.716 1.00 0.55 C ATOM 1144 CD1 LEU A 187 1.250 1.229 -3.353 1.00 1.38 C ATOM 1145 CD2 LEU A 187 -0.667 2.832 -3.303 1.00 1.26 C ATOM 0 H LEU A 187 -2.850 -1.456 -3.875 1.00 0.32 H new ATOM 0 HA LEU A 187 -1.681 1.108 -4.800 1.00 0.37 H new ATOM 0 HB2 LEU A 187 -1.954 0.577 -2.250 1.00 0.43 H new ATOM 0 HB3 LEU A 187 -0.621 -0.526 -2.530 1.00 0.43 H new ATOM 0 HG LEU A 187 0.066 1.688 -1.647 1.00 0.55 H new ATOM 0 HD11 LEU A 187 1.929 2.070 -3.210 1.00 1.38 H new ATOM 0 HD12 LEU A 187 1.672 0.339 -2.886 1.00 1.38 H new ATOM 0 HD13 LEU A 187 1.114 1.049 -4.420 1.00 1.38 H new ATOM 0 HD21 LEU A 187 0.050 3.643 -3.171 1.00 1.26 H new ATOM 0 HD22 LEU A 187 -0.863 2.690 -4.366 1.00 1.26 H new ATOM 0 HD23 LEU A 187 -1.597 3.083 -2.793 1.00 1.26 H new ATOM 1157 N THR A 188 -0.118 -0.334 -6.134 1.00 0.39 N ATOM 1158 CA THR A 188 0.878 -1.077 -6.865 1.00 0.44 C ATOM 1159 C THR A 188 2.235 -0.451 -6.642 1.00 0.50 C ATOM 1160 O THR A 188 2.470 0.708 -7.004 1.00 0.55 O ATOM 1161 CB THR A 188 0.548 -1.137 -8.365 1.00 0.51 C ATOM 1162 OG1 THR A 188 0.044 0.120 -8.793 1.00 0.70 O ATOM 1163 CG2 THR A 188 -0.489 -2.210 -8.653 1.00 0.47 C ATOM 0 H THR A 188 -0.368 0.560 -6.557 1.00 0.39 H new ATOM 0 HA THR A 188 0.887 -2.102 -6.495 1.00 0.44 H new ATOM 0 HB THR A 188 1.463 -1.380 -8.905 1.00 0.51 H new ATOM 0 HG1 THR A 188 -0.928 0.061 -8.907 1.00 0.70 H new ATOM 0 HG21 THR A 188 -0.704 -2.231 -9.721 1.00 0.47 H new ATOM 0 HG22 THR A 188 -0.104 -3.181 -8.341 1.00 0.47 H new ATOM 0 HG23 THR A 188 -1.404 -1.989 -8.103 1.00 0.47 H new ATOM 1171 N LEU A 189 3.096 -1.206 -5.996 1.00 0.52 N ATOM 1172 CA LEU A 189 4.392 -0.722 -5.606 1.00 0.58 C ATOM 1173 C LEU A 189 5.500 -1.400 -6.404 1.00 0.61 C ATOM 1174 O LEU A 189 5.674 -2.608 -6.305 1.00 0.67 O ATOM 1175 CB LEU A 189 4.591 -0.991 -4.123 1.00 0.67 C ATOM 1176 CG LEU A 189 5.886 -0.420 -3.565 1.00 0.75 C ATOM 1177 CD1 LEU A 189 5.999 1.031 -3.968 1.00 1.08 C ATOM 1178 CD2 LEU A 189 5.914 -0.546 -2.061 1.00 1.21 C ATOM 0 H LEU A 189 2.912 -2.173 -5.728 1.00 0.52 H new ATOM 0 HA LEU A 189 4.441 0.348 -5.808 1.00 0.58 H new ATOM 0 HB2 LEU A 189 3.751 -0.570 -3.571 1.00 0.67 H new ATOM 0 HB3 LEU A 189 4.576 -2.068 -3.953 1.00 0.67 H new ATOM 0 HG LEU A 189 6.730 -0.979 -3.969 1.00 0.75 H new ATOM 0 HD11 LEU A 189 6.925 1.448 -3.572 1.00 1.08 H new ATOM 0 HD12 LEU A 189 6.003 1.107 -5.055 1.00 1.08 H new ATOM 0 HD13 LEU A 189 5.151 1.587 -3.568 1.00 1.08 H new ATOM 0 HD21 LEU A 189 6.847 -0.133 -1.679 1.00 1.21 H new ATOM 0 HD22 LEU A 189 5.073 0.001 -1.634 1.00 1.21 H new ATOM 0 HD23 LEU A 189 5.842 -1.597 -1.783 1.00 1.21 H new ATOM 1190 N PRO A 190 6.247 -0.627 -7.207 1.00 0.66 N ATOM 1191 CA PRO A 190 7.445 -1.115 -7.905 1.00 0.73 C ATOM 1192 C PRO A 190 8.457 -1.724 -6.935 1.00 0.89 C ATOM 1193 O PRO A 190 8.475 -1.381 -5.748 1.00 0.98 O ATOM 1194 CB PRO A 190 8.018 0.147 -8.550 1.00 0.86 C ATOM 1195 CG PRO A 190 6.849 1.054 -8.703 1.00 0.86 C ATOM 1196 CD PRO A 190 5.968 0.783 -7.519 1.00 0.78 C ATOM 0 HA PRO A 190 7.214 -1.905 -8.620 1.00 0.73 H new ATOM 0 HB2 PRO A 190 8.789 0.597 -7.925 1.00 0.86 H new ATOM 0 HB3 PRO A 190 8.477 -0.074 -9.514 1.00 0.86 H new ATOM 0 HG2 PRO A 190 7.163 2.097 -8.727 1.00 0.86 H new ATOM 0 HG3 PRO A 190 6.321 0.859 -9.637 1.00 0.86 H new ATOM 0 HD2 PRO A 190 6.209 1.436 -6.680 1.00 0.78 H new ATOM 0 HD3 PRO A 190 4.916 0.942 -7.755 1.00 0.78 H new ATOM 1204 N LYS A 191 9.299 -2.621 -7.451 1.00 1.06 N ATOM 1205 CA LYS A 191 10.202 -3.403 -6.611 1.00 1.32 C ATOM 1206 C LYS A 191 11.094 -2.509 -5.763 1.00 1.50 C ATOM 1207 O LYS A 191 11.688 -1.541 -6.246 1.00 1.61 O ATOM 1208 CB LYS A 191 11.053 -4.378 -7.444 1.00 1.60 C ATOM 1209 CG LYS A 191 11.915 -3.735 -8.523 1.00 1.99 C ATOM 1210 CD LYS A 191 11.117 -3.436 -9.780 1.00 2.64 C ATOM 1211 CE LYS A 191 12.012 -2.975 -10.915 1.00 3.26 C ATOM 1212 NZ LYS A 191 13.029 -3.999 -11.271 1.00 3.64 N ATOM 0 H LYS A 191 9.373 -2.823 -8.448 1.00 1.06 H new ATOM 0 HA LYS A 191 9.576 -3.991 -5.940 1.00 1.32 H new ATOM 0 HB2 LYS A 191 11.702 -4.935 -6.769 1.00 1.60 H new ATOM 0 HB3 LYS A 191 10.388 -5.101 -7.917 1.00 1.60 H new ATOM 0 HG2 LYS A 191 12.348 -2.811 -8.139 1.00 1.99 H new ATOM 0 HG3 LYS A 191 12.745 -4.398 -8.768 1.00 1.99 H new ATOM 0 HD2 LYS A 191 10.572 -4.329 -10.086 1.00 2.64 H new ATOM 0 HD3 LYS A 191 10.375 -2.667 -9.566 1.00 2.64 H new ATOM 0 HE2 LYS A 191 11.402 -2.750 -11.790 1.00 3.26 H new ATOM 0 HE3 LYS A 191 12.513 -2.050 -10.629 1.00 3.26 H new ATOM 0 HZ1 LYS A 191 13.386 -3.815 -12.230 1.00 3.64 H new ATOM 0 HZ2 LYS A 191 13.817 -3.956 -10.594 1.00 3.64 H new ATOM 0 HZ3 LYS A 191 12.596 -4.944 -11.238 1.00 3.64 H new ATOM 1226 N LYS A 192 11.166 -2.855 -4.491 1.00 1.73 N ATOM 1227 CA LYS A 192 11.842 -2.046 -3.495 1.00 2.06 C ATOM 1228 C LYS A 192 13.237 -2.597 -3.203 1.00 2.14 C ATOM 1229 O LYS A 192 13.818 -3.323 -4.010 1.00 2.45 O ATOM 1230 CB LYS A 192 10.998 -2.031 -2.214 1.00 2.43 C ATOM 1231 CG LYS A 192 10.839 -3.413 -1.604 1.00 2.74 C ATOM 1232 CD LYS A 192 9.414 -3.697 -1.155 1.00 3.41 C ATOM 1233 CE LYS A 192 9.091 -3.047 0.182 1.00 4.16 C ATOM 1234 NZ LYS A 192 7.804 -3.547 0.741 1.00 4.71 N ATOM 0 H LYS A 192 10.754 -3.711 -4.118 1.00 1.73 H new ATOM 0 HA LYS A 192 11.957 -1.031 -3.874 1.00 2.06 H new ATOM 0 HB2 LYS A 192 11.462 -1.367 -1.485 1.00 2.43 H new ATOM 0 HB3 LYS A 192 10.013 -1.621 -2.437 1.00 2.43 H new ATOM 0 HG2 LYS A 192 11.142 -4.164 -2.333 1.00 2.74 H new ATOM 0 HG3 LYS A 192 11.510 -3.508 -0.750 1.00 2.74 H new ATOM 0 HD2 LYS A 192 8.718 -3.334 -1.911 1.00 3.41 H new ATOM 0 HD3 LYS A 192 9.267 -4.774 -1.078 1.00 3.41 H new ATOM 0 HE2 LYS A 192 9.897 -3.247 0.888 1.00 4.16 H new ATOM 0 HE3 LYS A 192 9.038 -1.965 0.057 1.00 4.16 H new ATOM 0 HZ1 LYS A 192 7.816 -3.455 1.777 1.00 4.71 H new ATOM 0 HZ2 LYS A 192 7.017 -2.989 0.353 1.00 4.71 H new ATOM 0 HZ3 LYS A 192 7.679 -4.547 0.484 1.00 4.71 H new ATOM 1248 N VAL A 193 13.746 -2.252 -2.035 1.00 2.09 N ATOM 1249 CA VAL A 193 15.079 -2.642 -1.598 1.00 2.30 C ATOM 1250 C VAL A 193 14.984 -3.582 -0.408 1.00 2.34 C ATOM 1251 O VAL A 193 14.013 -3.520 0.352 1.00 2.29 O ATOM 1252 CB VAL A 193 15.952 -1.420 -1.233 1.00 2.58 C ATOM 1253 CG1 VAL A 193 16.151 -0.522 -2.443 1.00 2.90 C ATOM 1254 CG2 VAL A 193 15.343 -0.637 -0.081 1.00 2.95 C ATOM 0 H VAL A 193 13.241 -1.686 -1.353 1.00 2.09 H new ATOM 0 HA VAL A 193 15.559 -3.153 -2.433 1.00 2.30 H new ATOM 0 HB VAL A 193 16.927 -1.788 -0.912 1.00 2.58 H new ATOM 0 HG11 VAL A 193 16.768 0.332 -2.165 1.00 2.90 H new ATOM 0 HG12 VAL A 193 16.645 -1.084 -3.236 1.00 2.90 H new ATOM 0 HG13 VAL A 193 15.182 -0.170 -2.798 1.00 2.90 H new ATOM 0 HG21 VAL A 193 15.978 0.217 0.154 1.00 2.95 H new ATOM 0 HG22 VAL A 193 14.351 -0.284 -0.365 1.00 2.95 H new ATOM 0 HG23 VAL A 193 15.262 -1.281 0.794 1.00 2.95 H new