USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 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 143 CYS SG : rot -11:sc= -1.16! USER MOD Set 1.2: B 473 CYS SG : rot 65:sc= 0.877 USER MOD Set 2.1: A 112 GLN : amide:sc= -0.0127 K(o=0.12,f=-1.3) USER MOD Set 2.2: A 116 ASN : amide:sc= 0.13 K(o=0.12,f=-1.3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.0109 F(o=-1.1,f=-0.011) USER MOD Single : A 91 ASN : amide:sc= 0.509 K(o=0.51,f=-3.4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.465 F(o=-3.4!,f=-0.46) USER MOD Single : A 98 SER OG : rot -140:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 74:sc= 1.22 USER MOD Single : A 107 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.61) USER MOD Single : A 109 HIS : no HD1:sc= -1.17! C(o=-1.2!,f=-5.3!) USER MOD Single : A 114 MET CE :methyl 170:sc= -1.54! (180deg=-1.59) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 123 LYS NZ :NH3+ 171:sc=-0.00311 (180deg=-0.0606) USER MOD Single : A 125 LYS NZ :NH3+ 158:sc= 0.193 (180deg=0.0688) USER MOD Single : A 127 MET CE :methyl -152:sc=-0.00691 (180deg=-0.227) USER MOD Single : A 130 TYR OH : rot -164:sc= -0.0544 USER MOD Single : A 131 MET CE :methyl 152:sc= -3.23! (180deg=-3.87!) USER MOD Single : A 132 GLN : amide:sc=-0.00254 K(o=-0.0025,f=-0.84) USER MOD Single : A 142 CYS SG : rot 78:sc= 0.433 USER MOD Single : B 465 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.59) USER MOD Single : B 468 ASN :FLIP amide:sc= -0.0137 F(o=-0.85,f=-0.014) USER MOD Single : B 472 GLN : amide:sc= -0.482 X(o=-0.48,f=-0.7) USER MOD Single : B 476 TYR OH : rot -102:sc= 1.06 USER MOD Single : B 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 480 LYS NZ :NH3+ -167:sc= -0.011 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 70 N ARG A 86 -1.106 -11.938 -0.685 1.00 0.00 N ATOM 71 CA ARG A 86 -0.548 -10.782 -1.374 1.00 0.00 C ATOM 72 C ARG A 86 -1.351 -10.480 -2.632 1.00 0.00 C ATOM 73 O ARG A 86 -1.645 -11.375 -3.427 1.00 0.00 O ATOM 74 CB ARG A 86 0.926 -11.006 -1.733 1.00 0.00 C ATOM 75 CG ARG A 86 1.842 -11.077 -0.524 1.00 0.00 C ATOM 76 CD ARG A 86 3.305 -10.964 -0.918 1.00 0.00 C ATOM 77 NE ARG A 86 3.751 -12.077 -1.754 1.00 0.00 N ATOM 78 CZ ARG A 86 4.982 -12.182 -2.254 1.00 0.00 C ATOM 79 NH1 ARG A 86 5.878 -11.231 -2.024 1.00 0.00 N ATOM 80 NH2 ARG A 86 5.318 -13.238 -2.987 1.00 0.00 N ATOM 0 HA ARG A 86 -0.606 -9.929 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.016 -11.932 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.260 -10.198 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.590 -10.276 0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.679 -12.018 0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.462 -10.027 -1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.918 -10.923 -0.017 1.00 0.00 H new ATOM 0 HE ARG A 86 3.081 -12.816 -1.967 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.625 -10.417 -1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.819 -11.314 -2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.633 -13.972 -3.169 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.261 -13.315 -3.368 1.00 0.00 H new ATOM 94 N VAL A 87 -1.707 -9.216 -2.790 1.00 0.00 N ATOM 95 CA VAL A 87 -2.538 -8.780 -3.900 1.00 0.00 C ATOM 96 C VAL A 87 -1.784 -8.880 -5.221 1.00 0.00 C ATOM 97 O VAL A 87 -0.648 -8.415 -5.336 1.00 0.00 O ATOM 98 CB VAL A 87 -3.014 -7.330 -3.692 1.00 0.00 C ATOM 99 CG1 VAL A 87 -3.947 -6.903 -4.808 1.00 0.00 C ATOM 100 CG2 VAL A 87 -3.693 -7.180 -2.342 1.00 0.00 C ATOM 0 H VAL A 87 -1.430 -8.467 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.405 -9.439 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.140 -6.679 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.270 -5.876 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.425 -6.967 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.818 -7.559 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.022 -6.149 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.555 -7.845 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.990 -7.438 -1.550 1.00 0.00 H new ATOM 110 N SER A 88 -2.427 -9.499 -6.203 1.00 0.00 N ATOM 111 CA SER A 88 -1.846 -9.677 -7.524 1.00 0.00 C ATOM 112 C SER A 88 -1.704 -8.338 -8.246 1.00 0.00 C ATOM 113 O SER A 88 -2.428 -7.389 -7.938 1.00 0.00 O ATOM 114 CB SER A 88 -2.723 -10.624 -8.339 1.00 0.00 C ATOM 115 OG SER A 88 -2.935 -11.836 -7.637 1.00 0.00 O ATOM 0 H SER A 88 -3.364 -9.890 -6.105 1.00 0.00 H new ATOM 0 HA SER A 88 -0.850 -10.105 -7.413 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.680 -10.149 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.250 -10.831 -9.299 1.00 0.00 H new ATOM 0 HG SER A 88 -3.500 -12.430 -8.173 1.00 0.00 H new ATOM 121 N LEU A 89 -0.794 -8.269 -9.211 1.00 0.00 N ATOM 122 CA LEU A 89 -0.521 -7.025 -9.919 1.00 0.00 C ATOM 123 C LEU A 89 -1.789 -6.526 -10.604 1.00 0.00 C ATOM 124 O LEU A 89 -2.102 -5.340 -10.548 1.00 0.00 O ATOM 125 CB LEU A 89 0.601 -7.229 -10.947 1.00 0.00 C ATOM 126 CG LEU A 89 1.637 -6.097 -11.047 1.00 0.00 C ATOM 127 CD1 LEU A 89 0.983 -4.774 -11.417 1.00 0.00 C ATOM 128 CD2 LEU A 89 2.408 -5.960 -9.742 1.00 0.00 C ATOM 0 H LEU A 89 -0.232 -9.062 -9.521 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.193 -6.275 -9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.125 -8.154 -10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.147 -7.367 -11.928 1.00 0.00 H new ATOM 0 HG LEU A 89 2.336 -6.358 -11.842 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.744 -3.996 -11.479 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.485 -4.872 -12.382 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.251 -4.505 -10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.136 -5.154 -9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.715 -5.733 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.926 -6.894 -9.526 1.00 0.00 H new ATOM 140 N GLN A 90 -2.533 -7.449 -11.212 1.00 0.00 N ATOM 141 CA GLN A 90 -3.790 -7.116 -11.886 1.00 0.00 C ATOM 142 C GLN A 90 -4.728 -6.347 -10.959 1.00 0.00 C ATOM 143 O GLN A 90 -5.404 -5.411 -11.378 1.00 0.00 O ATOM 144 CB GLN A 90 -4.491 -8.386 -12.379 1.00 0.00 C ATOM 145 CG GLN A 90 -4.829 -9.373 -11.270 1.00 0.00 C ATOM 146 CD GLN A 90 -5.596 -10.588 -11.761 1.00 0.00 C ATOM 147 OE1 GLN A 90 -6.383 -10.419 -12.811 1.00 0.00 O flip ATOM 148 NE2 GLN A 90 -5.482 -11.674 -11.193 1.00 0.00 N flip ATOM 0 H GLN A 90 -2.287 -8.438 -11.252 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.545 -6.484 -12.739 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.409 -8.106 -12.895 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.853 -8.881 -13.111 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.906 -9.703 -10.793 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.418 -8.864 -10.507 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.865 -11.765 -10.386 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.005 -12.483 -11.529 1.00 0.00 H new ATOM 157 N ASN A 91 -4.740 -6.736 -9.693 1.00 0.00 N ATOM 158 CA ASN A 91 -5.620 -6.124 -8.711 1.00 0.00 C ATOM 159 C ASN A 91 -5.053 -4.816 -8.210 1.00 0.00 C ATOM 160 O ASN A 91 -5.766 -4.017 -7.621 1.00 0.00 O ATOM 161 CB ASN A 91 -5.850 -7.060 -7.530 1.00 0.00 C ATOM 162 CG ASN A 91 -6.916 -8.094 -7.796 1.00 0.00 C ATOM 163 OD1 ASN A 91 -7.126 -8.520 -8.929 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.593 -8.505 -6.743 1.00 0.00 N ATOM 0 H ASN A 91 -4.146 -7.477 -9.321 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.572 -5.930 -9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.915 -7.565 -7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.132 -6.472 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.327 -9.206 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.383 -8.123 -5.821 1.00 0.00 H new ATOM 171 N LEU A 92 -3.770 -4.615 -8.422 1.00 0.00 N ATOM 172 CA LEU A 92 -3.130 -3.369 -8.051 1.00 0.00 C ATOM 173 C LEU A 92 -3.263 -2.349 -9.178 1.00 0.00 C ATOM 174 O LEU A 92 -3.438 -1.161 -8.930 1.00 0.00 O ATOM 175 CB LEU A 92 -1.656 -3.614 -7.718 1.00 0.00 C ATOM 176 CG LEU A 92 -1.412 -4.586 -6.565 1.00 0.00 C ATOM 177 CD1 LEU A 92 0.072 -4.877 -6.414 1.00 0.00 C ATOM 178 CD2 LEU A 92 -1.980 -4.021 -5.273 1.00 0.00 C ATOM 0 H LEU A 92 -3.147 -5.300 -8.850 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.624 -2.969 -7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.156 -3.995 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.190 -2.659 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.921 -5.524 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.224 -5.571 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.451 -5.320 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.606 -3.949 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.800 -4.723 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.495 -3.071 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.053 -3.863 -5.385 1.00 0.00 H new ATOM 190 N LYS A 93 -3.210 -2.835 -10.416 1.00 0.00 N ATOM 191 CA LYS A 93 -3.222 -1.969 -11.599 1.00 0.00 C ATOM 192 C LYS A 93 -4.415 -1.010 -11.626 1.00 0.00 C ATOM 193 O LYS A 93 -4.274 0.141 -12.047 1.00 0.00 O ATOM 194 CB LYS A 93 -3.211 -2.808 -12.880 1.00 0.00 C ATOM 195 CG LYS A 93 -1.963 -3.660 -13.034 1.00 0.00 C ATOM 196 CD LYS A 93 -1.907 -4.361 -14.384 1.00 0.00 C ATOM 197 CE LYS A 93 -1.715 -3.368 -15.517 1.00 0.00 C ATOM 198 NZ LYS A 93 -1.469 -4.044 -16.818 1.00 0.00 N ATOM 0 H LYS A 93 -3.158 -3.831 -10.630 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.318 -1.363 -11.543 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.087 -3.456 -12.888 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.297 -2.145 -13.741 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.080 -3.032 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.933 -4.405 -12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.089 -5.082 -14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.828 -4.922 -14.542 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.600 -2.737 -15.599 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.876 -2.712 -15.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.344 -3.329 -17.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.610 -4.627 -16.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.281 -4.650 -17.053 1.00 0.00 H new ATOM 212 N ASN A 94 -5.579 -1.465 -11.171 1.00 0.00 N ATOM 213 CA ASN A 94 -6.790 -0.641 -11.249 1.00 0.00 C ATOM 214 C ASN A 94 -6.760 0.521 -10.257 1.00 0.00 C ATOM 215 O ASN A 94 -7.523 1.477 -10.398 1.00 0.00 O ATOM 216 CB ASN A 94 -8.064 -1.458 -11.034 1.00 0.00 C ATOM 217 CG ASN A 94 -7.776 -2.904 -10.774 1.00 0.00 C ATOM 218 OD1 ASN A 94 -7.496 -3.208 -9.534 1.00 0.00 O flip ATOM 219 ND2 ASN A 94 -7.782 -3.735 -11.679 1.00 0.00 N flip ATOM 0 H ASN A 94 -5.713 -2.384 -10.750 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.804 -0.238 -12.262 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.621 -1.044 -10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.702 -1.370 -11.913 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.007 -3.450 -12.632 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.562 -4.710 -11.477 1.00 0.00 H new ATOM 226 N LEU A 95 -5.881 0.443 -9.260 1.00 0.00 N ATOM 227 CA LEU A 95 -5.830 1.442 -8.196 1.00 0.00 C ATOM 228 C LEU A 95 -5.537 2.834 -8.739 1.00 0.00 C ATOM 229 O LEU A 95 -6.237 3.792 -8.408 1.00 0.00 O ATOM 230 CB LEU A 95 -4.777 1.060 -7.155 1.00 0.00 C ATOM 231 CG LEU A 95 -5.227 0.047 -6.099 1.00 0.00 C ATOM 232 CD1 LEU A 95 -5.771 -1.210 -6.741 1.00 0.00 C ATOM 233 CD2 LEU A 95 -4.072 -0.293 -5.179 1.00 0.00 C ATOM 0 H LEU A 95 -5.193 -0.304 -9.167 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.813 1.465 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.909 0.655 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.449 1.967 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.029 0.500 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.082 -1.910 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.627 -0.958 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.996 -1.670 -7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.402 -1.014 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.257 -0.722 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.725 0.612 -4.681 1.00 0.00 H new ATOM 245 N GLY A 96 -4.518 2.942 -9.582 1.00 0.00 N ATOM 246 CA GLY A 96 -4.155 4.231 -10.145 1.00 0.00 C ATOM 247 C GLY A 96 -5.221 4.771 -11.078 1.00 0.00 C ATOM 248 O GLY A 96 -5.301 5.977 -11.320 1.00 0.00 O ATOM 0 H GLY A 96 -3.936 2.162 -9.887 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.987 4.944 -9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.214 4.136 -10.687 1.00 0.00 H new ATOM 252 N GLU A 97 -6.054 3.877 -11.585 1.00 0.00 N ATOM 253 CA GLU A 97 -7.105 4.246 -12.518 1.00 0.00 C ATOM 254 C GLU A 97 -8.348 4.712 -11.769 1.00 0.00 C ATOM 255 O GLU A 97 -9.170 5.457 -12.306 1.00 0.00 O ATOM 256 CB GLU A 97 -7.444 3.059 -13.417 1.00 0.00 C ATOM 257 CG GLU A 97 -6.248 2.534 -14.193 1.00 0.00 C ATOM 258 CD GLU A 97 -5.641 3.586 -15.095 1.00 0.00 C ATOM 259 OE1 GLU A 97 -6.171 3.799 -16.203 1.00 0.00 O ATOM 260 OE2 GLU A 97 -4.632 4.208 -14.703 1.00 0.00 O ATOM 0 H GLU A 97 -6.021 2.882 -11.363 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.748 5.070 -13.137 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.854 2.255 -12.806 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.223 3.355 -14.120 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.492 2.178 -13.493 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.555 1.677 -14.793 1.00 0.00 H new ATOM 267 N SER A 98 -8.467 4.273 -10.523 1.00 0.00 N ATOM 268 CA SER A 98 -9.595 4.627 -9.682 1.00 0.00 C ATOM 269 C SER A 98 -9.583 6.120 -9.385 1.00 0.00 C ATOM 270 O SER A 98 -8.644 6.634 -8.773 1.00 0.00 O ATOM 271 CB SER A 98 -9.543 3.830 -8.375 1.00 0.00 C ATOM 272 OG SER A 98 -10.604 4.187 -7.508 1.00 0.00 O ATOM 0 H SER A 98 -7.785 3.664 -10.071 1.00 0.00 H new ATOM 0 HA SER A 98 -10.517 4.383 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.595 2.764 -8.595 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.590 4.007 -7.877 1.00 0.00 H new ATOM 0 HG SER A 98 -10.275 4.223 -6.586 1.00 0.00 H new ATOM 278 N ALA A 99 -10.635 6.805 -9.823 1.00 0.00 N ATOM 279 CA ALA A 99 -10.741 8.248 -9.667 1.00 0.00 C ATOM 280 C ALA A 99 -10.745 8.645 -8.200 1.00 0.00 C ATOM 281 O ALA A 99 -10.327 9.744 -7.846 1.00 0.00 O ATOM 282 CB ALA A 99 -11.999 8.758 -10.345 1.00 0.00 C ATOM 0 H ALA A 99 -11.432 6.377 -10.293 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.869 8.701 -10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.067 9.839 -10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.963 8.516 -11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.872 8.286 -9.894 1.00 0.00 H new ATOM 288 N THR A 100 -11.206 7.743 -7.352 1.00 0.00 N ATOM 289 CA THR A 100 -11.272 8.019 -5.930 1.00 0.00 C ATOM 290 C THR A 100 -9.889 7.954 -5.295 1.00 0.00 C ATOM 291 O THR A 100 -9.514 8.822 -4.507 1.00 0.00 O ATOM 292 CB THR A 100 -12.208 7.036 -5.205 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.519 7.087 -5.786 1.00 0.00 O ATOM 294 CG2 THR A 100 -12.286 7.374 -3.724 1.00 0.00 C ATOM 0 H THR A 100 -11.539 6.817 -7.623 1.00 0.00 H new ATOM 0 HA THR A 100 -11.671 9.028 -5.823 1.00 0.00 H new ATOM 0 HB THR A 100 -11.807 6.028 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 100 -14.108 6.457 -5.320 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.952 6.670 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.291 7.308 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.671 8.386 -3.602 1.00 0.00 H new ATOM 302 N LEU A 101 -9.115 6.945 -5.672 1.00 0.00 N ATOM 303 CA LEU A 101 -7.850 6.688 -5.004 1.00 0.00 C ATOM 304 C LEU A 101 -6.799 7.692 -5.438 1.00 0.00 C ATOM 305 O LEU A 101 -6.072 8.230 -4.610 1.00 0.00 O ATOM 306 CB LEU A 101 -7.347 5.274 -5.280 1.00 0.00 C ATOM 307 CG LEU A 101 -6.148 4.862 -4.425 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.580 4.601 -2.993 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.456 3.648 -5.011 1.00 0.00 C ATOM 0 H LEU A 101 -9.339 6.299 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.026 6.790 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.161 4.570 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.074 5.196 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.433 5.684 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.714 4.309 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.018 5.507 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.318 3.799 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.607 3.375 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.157 2.815 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.105 3.879 -6.017 1.00 0.00 H new ATOM 321 N ARG A 102 -6.735 7.952 -6.738 1.00 0.00 N ATOM 322 CA ARG A 102 -5.758 8.891 -7.277 1.00 0.00 C ATOM 323 C ARG A 102 -5.929 10.275 -6.659 1.00 0.00 C ATOM 324 O ARG A 102 -4.959 11.008 -6.497 1.00 0.00 O ATOM 325 CB ARG A 102 -5.871 8.982 -8.798 1.00 0.00 C ATOM 326 CG ARG A 102 -7.281 9.252 -9.289 1.00 0.00 C ATOM 327 CD ARG A 102 -7.299 9.597 -10.765 1.00 0.00 C ATOM 328 NE ARG A 102 -6.691 8.545 -11.578 1.00 0.00 N ATOM 329 CZ ARG A 102 -6.731 8.512 -12.910 1.00 0.00 C ATOM 330 NH1 ARG A 102 -7.323 9.488 -13.587 1.00 0.00 N ATOM 331 NH2 ARG A 102 -6.164 7.505 -13.561 1.00 0.00 N ATOM 0 H ARG A 102 -7.345 7.528 -7.437 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.767 8.517 -7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.213 9.774 -9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.515 8.050 -9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.903 8.375 -9.112 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.716 10.072 -8.717 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.328 9.757 -11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.766 10.534 -10.925 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.206 7.789 -11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.750 10.268 -13.088 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.351 9.458 -14.606 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.700 6.760 -13.042 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.192 7.476 -14.580 1.00 0.00 H new ATOM 345 N SER A 103 -7.164 10.614 -6.296 1.00 0.00 N ATOM 346 CA SER A 103 -7.446 11.888 -5.651 1.00 0.00 C ATOM 347 C SER A 103 -6.785 11.960 -4.276 1.00 0.00 C ATOM 348 O SER A 103 -6.481 13.042 -3.774 1.00 0.00 O ATOM 349 CB SER A 103 -8.958 12.080 -5.531 1.00 0.00 C ATOM 350 OG SER A 103 -9.561 12.107 -6.815 1.00 0.00 O ATOM 0 H SER A 103 -7.983 10.023 -6.439 1.00 0.00 H new ATOM 0 HA SER A 103 -7.032 12.690 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.387 11.272 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.171 13.010 -5.003 1.00 0.00 H new ATOM 0 HG SER A 103 -9.577 11.201 -7.188 1.00 0.00 H new ATOM 356 N LEU A 104 -6.542 10.798 -3.686 1.00 0.00 N ATOM 357 CA LEU A 104 -5.910 10.722 -2.378 1.00 0.00 C ATOM 358 C LEU A 104 -4.395 10.806 -2.530 1.00 0.00 C ATOM 359 O LEU A 104 -3.701 11.358 -1.678 1.00 0.00 O ATOM 360 CB LEU A 104 -6.308 9.419 -1.676 1.00 0.00 C ATOM 361 CG LEU A 104 -7.803 9.086 -1.719 1.00 0.00 C ATOM 362 CD1 LEU A 104 -8.098 7.842 -0.896 1.00 0.00 C ATOM 363 CD2 LEU A 104 -8.637 10.259 -1.229 1.00 0.00 C ATOM 0 H LEU A 104 -6.774 9.893 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.248 11.560 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.756 8.597 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.994 9.476 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.074 8.888 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.165 7.622 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.537 6.998 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.804 8.013 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.694 9.996 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.362 10.497 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.454 11.126 -1.864 1.00 0.00 H new ATOM 375 N LEU A 105 -3.895 10.271 -3.640 1.00 0.00 N ATOM 376 CA LEU A 105 -2.470 10.336 -3.969 1.00 0.00 C ATOM 377 C LEU A 105 -2.041 11.778 -4.191 1.00 0.00 C ATOM 378 O LEU A 105 -0.862 12.117 -4.086 1.00 0.00 O ATOM 379 CB LEU A 105 -2.166 9.525 -5.233 1.00 0.00 C ATOM 380 CG LEU A 105 -1.965 8.018 -5.046 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.181 7.364 -4.422 1.00 0.00 C ATOM 382 CD2 LEU A 105 -1.643 7.372 -6.384 1.00 0.00 C ATOM 0 H LEU A 105 -4.460 9.782 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.916 9.915 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.982 9.675 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.267 9.935 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.129 7.871 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.000 6.295 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.372 7.808 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.047 7.517 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.501 6.300 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.466 7.542 -7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.731 7.810 -6.789 1.00 0.00 H new ATOM 394 N LEU A 106 -3.017 12.618 -4.503 1.00 0.00 N ATOM 395 CA LEU A 106 -2.777 14.029 -4.743 1.00 0.00 C ATOM 396 C LEU A 106 -2.447 14.754 -3.439 1.00 0.00 C ATOM 397 O LEU A 106 -1.978 15.890 -3.450 1.00 0.00 O ATOM 398 CB LEU A 106 -4.004 14.649 -5.402 1.00 0.00 C ATOM 399 CG LEU A 106 -4.420 14.006 -6.727 1.00 0.00 C ATOM 400 CD1 LEU A 106 -5.600 14.744 -7.324 1.00 0.00 C ATOM 401 CD2 LEU A 106 -3.260 13.976 -7.712 1.00 0.00 C ATOM 0 H LEU A 106 -3.994 12.340 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.920 14.132 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.841 14.588 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.810 15.708 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.715 12.977 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.884 14.275 -8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.441 14.706 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.326 15.783 -7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.586 13.514 -8.644 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.924 14.994 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.438 13.399 -7.289 1.00 0.00 H new ATOM 413 N ASN A 107 -2.694 14.085 -2.317 1.00 0.00 N ATOM 414 CA ASN A 107 -2.367 14.634 -1.006 1.00 0.00 C ATOM 415 C ASN A 107 -0.889 14.413 -0.704 1.00 0.00 C ATOM 416 O ASN A 107 -0.439 13.275 -0.557 1.00 0.00 O ATOM 417 CB ASN A 107 -3.213 13.970 0.085 1.00 0.00 C ATOM 418 CG ASN A 107 -4.697 14.230 -0.071 1.00 0.00 C ATOM 419 OD1 ASN A 107 -5.114 15.271 -0.577 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.509 13.281 0.367 1.00 0.00 N ATOM 0 H ASN A 107 -3.121 13.159 -2.290 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.583 15.702 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.035 12.895 0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.887 14.333 1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.519 13.399 0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.124 12.432 0.781 1.00 0.00 H new ATOM 427 N PRO A 108 -0.112 15.511 -0.616 1.00 0.00 N ATOM 428 CA PRO A 108 1.340 15.451 -0.394 1.00 0.00 C ATOM 429 C PRO A 108 1.729 14.677 0.861 1.00 0.00 C ATOM 430 O PRO A 108 2.734 13.971 0.870 1.00 0.00 O ATOM 431 CB PRO A 108 1.748 16.921 -0.255 1.00 0.00 C ATOM 432 CG PRO A 108 0.677 17.684 -0.951 1.00 0.00 C ATOM 433 CD PRO A 108 -0.589 16.901 -0.747 1.00 0.00 C ATOM 0 HA PRO A 108 1.838 14.925 -1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 108 1.823 17.213 0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.722 17.105 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.584 18.689 -0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.902 17.793 -2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.125 17.228 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -1.272 17.014 -1.589 1.00 0.00 H new ATOM 441 N HIS A 109 0.939 14.806 1.917 1.00 0.00 N ATOM 442 CA HIS A 109 1.213 14.092 3.156 1.00 0.00 C ATOM 443 C HIS A 109 0.983 12.596 2.969 1.00 0.00 C ATOM 444 O HIS A 109 1.763 11.770 3.442 1.00 0.00 O ATOM 445 CB HIS A 109 0.337 14.630 4.294 1.00 0.00 C ATOM 446 CG HIS A 109 0.446 13.847 5.568 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.325 14.205 6.561 1.00 0.00 N ATOM 448 CD2 HIS A 109 -0.228 12.735 5.950 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.171 13.307 7.519 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.243 12.397 7.196 1.00 0.00 N ATOM 0 H HIS A 109 0.107 15.395 1.941 1.00 0.00 H new ATOM 0 HA HIS A 109 2.258 14.252 3.422 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.611 15.666 4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.703 14.632 3.968 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.988 12.215 5.385 1.00 0.00 H new ATOM 0 HE1 HIS A 109 1.725 13.307 8.446 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -0.057 11.605 7.765 1.00 0.00 H new ATOM 458 N LEU A 110 -0.086 12.259 2.263 1.00 0.00 N ATOM 459 CA LEU A 110 -0.456 10.871 2.048 1.00 0.00 C ATOM 460 C LEU A 110 0.617 10.167 1.220 1.00 0.00 C ATOM 461 O LEU A 110 1.064 9.071 1.561 1.00 0.00 O ATOM 462 CB LEU A 110 -1.813 10.815 1.346 1.00 0.00 C ATOM 463 CG LEU A 110 -2.667 9.579 1.634 1.00 0.00 C ATOM 464 CD1 LEU A 110 -4.047 9.754 1.030 1.00 0.00 C ATOM 465 CD2 LEU A 110 -2.011 8.320 1.092 1.00 0.00 C ATOM 0 H LEU A 110 -0.715 12.934 1.827 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.534 10.357 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.383 11.700 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.646 10.874 0.270 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.759 9.470 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.650 8.870 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.526 10.631 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.958 9.886 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.641 7.458 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.884 8.411 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.037 8.186 1.562 1.00 0.00 H new ATOM 477 N ARG A 111 1.043 10.816 0.144 1.00 0.00 N ATOM 478 CA ARG A 111 2.077 10.254 -0.718 1.00 0.00 C ATOM 479 C ARG A 111 3.424 10.213 0.003 1.00 0.00 C ATOM 480 O ARG A 111 4.257 9.350 -0.274 1.00 0.00 O ATOM 481 CB ARG A 111 2.180 11.022 -2.043 1.00 0.00 C ATOM 482 CG ARG A 111 2.558 12.487 -1.916 1.00 0.00 C ATOM 483 CD ARG A 111 2.552 13.154 -3.281 1.00 0.00 C ATOM 484 NE ARG A 111 2.729 14.603 -3.210 1.00 0.00 N ATOM 485 CZ ARG A 111 2.079 15.462 -4.001 1.00 0.00 C ATOM 486 NH1 ARG A 111 1.218 15.010 -4.907 1.00 0.00 N ATOM 487 NH2 ARG A 111 2.297 16.768 -3.893 1.00 0.00 N ATOM 0 H ARG A 111 0.692 11.727 -0.152 1.00 0.00 H new ATOM 0 HA ARG A 111 1.791 9.229 -0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.918 10.527 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.222 10.954 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.857 12.994 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.546 12.577 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.347 12.726 -3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.610 12.933 -3.783 1.00 0.00 H new ATOM 0 HE ARG A 111 3.382 14.978 -2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.053 14.008 -4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.722 15.666 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.963 17.119 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.799 17.420 -4.499 1.00 0.00 H new ATOM 501 N GLN A 112 3.625 11.138 0.939 1.00 0.00 N ATOM 502 CA GLN A 112 4.808 11.125 1.789 1.00 0.00 C ATOM 503 C GLN A 112 4.817 9.859 2.640 1.00 0.00 C ATOM 504 O GLN A 112 5.842 9.195 2.782 1.00 0.00 O ATOM 505 CB GLN A 112 4.816 12.357 2.695 1.00 0.00 C ATOM 506 CG GLN A 112 6.137 13.106 2.714 1.00 0.00 C ATOM 507 CD GLN A 112 7.306 12.247 3.153 1.00 0.00 C ATOM 508 OE1 GLN A 112 7.594 12.126 4.345 1.00 0.00 O ATOM 509 NE2 GLN A 112 8.006 11.670 2.193 1.00 0.00 N ATOM 0 H GLN A 112 2.981 11.907 1.126 1.00 0.00 H new ATOM 0 HA GLN A 112 5.698 11.142 1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.029 13.038 2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.571 12.049 3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.338 13.500 1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.052 13.962 3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.734 11.795 1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.818 11.099 2.427 1.00 0.00 H new ATOM 518 N LEU A 113 3.661 9.530 3.202 1.00 0.00 N ATOM 519 CA LEU A 113 3.506 8.301 3.968 1.00 0.00 C ATOM 520 C LEU A 113 3.832 7.094 3.097 1.00 0.00 C ATOM 521 O LEU A 113 4.589 6.208 3.497 1.00 0.00 O ATOM 522 CB LEU A 113 2.075 8.180 4.504 1.00 0.00 C ATOM 523 CG LEU A 113 1.653 9.255 5.506 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.192 9.078 5.884 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.527 9.202 6.748 1.00 0.00 C ATOM 0 H LEU A 113 2.816 10.098 3.141 1.00 0.00 H new ATOM 0 HA LEU A 113 4.197 8.332 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.386 8.205 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.964 7.204 4.977 1.00 0.00 H new ATOM 0 HG LEU A 113 1.779 10.231 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.095 9.850 6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.427 9.161 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.049 8.096 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.211 9.975 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.431 8.224 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.567 9.369 6.468 1.00 0.00 H new ATOM 537 N MET A 114 3.269 7.087 1.898 1.00 0.00 N ATOM 538 CA MET A 114 3.456 5.994 0.950 1.00 0.00 C ATOM 539 C MET A 114 4.932 5.745 0.639 1.00 0.00 C ATOM 540 O MET A 114 5.404 4.614 0.741 1.00 0.00 O ATOM 541 CB MET A 114 2.682 6.280 -0.335 1.00 0.00 C ATOM 542 CG MET A 114 1.200 5.945 -0.240 1.00 0.00 C ATOM 543 SD MET A 114 0.230 6.731 -1.541 1.00 0.00 S ATOM 544 CE MET A 114 1.090 6.154 -3.000 1.00 0.00 C ATOM 0 H MET A 114 2.670 7.837 1.553 1.00 0.00 H new ATOM 0 HA MET A 114 3.068 5.087 1.413 1.00 0.00 H new ATOM 0 HB2 MET A 114 2.792 7.334 -0.589 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.124 5.708 -1.151 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.071 4.864 -0.297 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.821 6.260 0.732 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.510 6.406 -3.888 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.068 6.631 -3.058 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.216 5.073 -2.944 1.00 0.00 H new ATOM 554 N VAL A 115 5.668 6.795 0.282 1.00 0.00 N ATOM 555 CA VAL A 115 7.078 6.637 -0.073 1.00 0.00 C ATOM 556 C VAL A 115 7.901 6.182 1.130 1.00 0.00 C ATOM 557 O VAL A 115 8.872 5.446 0.984 1.00 0.00 O ATOM 558 CB VAL A 115 7.692 7.928 -0.660 1.00 0.00 C ATOM 559 CG1 VAL A 115 6.956 8.342 -1.918 1.00 0.00 C ATOM 560 CG2 VAL A 115 7.685 9.057 0.352 1.00 0.00 C ATOM 0 H VAL A 115 5.319 7.752 0.231 1.00 0.00 H new ATOM 0 HA VAL A 115 7.111 5.870 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 115 8.730 7.715 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.402 9.253 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.028 7.547 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.907 8.524 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.124 9.949 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.659 9.269 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.267 8.765 1.226 1.00 0.00 H new ATOM 570 N ASN A 116 7.496 6.613 2.318 1.00 0.00 N ATOM 571 CA ASN A 116 8.153 6.199 3.551 1.00 0.00 C ATOM 572 C ASN A 116 7.957 4.709 3.791 1.00 0.00 C ATOM 573 O ASN A 116 8.880 4.005 4.199 1.00 0.00 O ATOM 574 CB ASN A 116 7.604 6.999 4.731 1.00 0.00 C ATOM 575 CG ASN A 116 8.230 8.371 4.851 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.397 8.567 4.516 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.458 9.331 5.329 1.00 0.00 N ATOM 0 H ASN A 116 6.712 7.252 2.454 1.00 0.00 H new ATOM 0 HA ASN A 116 9.221 6.394 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.525 7.105 4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.777 6.444 5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 116 7.825 10.277 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.495 9.126 5.595 1.00 0.00 H new ATOM 584 N LEU A 117 6.749 4.235 3.527 1.00 0.00 N ATOM 585 CA LEU A 117 6.424 2.827 3.691 1.00 0.00 C ATOM 586 C LEU A 117 7.167 1.974 2.657 1.00 0.00 C ATOM 587 O LEU A 117 7.628 0.877 2.970 1.00 0.00 O ATOM 588 CB LEU A 117 4.912 2.626 3.558 1.00 0.00 C ATOM 589 CG LEU A 117 4.400 1.227 3.902 1.00 0.00 C ATOM 590 CD1 LEU A 117 4.737 0.872 5.341 1.00 0.00 C ATOM 591 CD2 LEU A 117 2.896 1.140 3.672 1.00 0.00 C ATOM 0 H LEU A 117 5.973 4.809 3.196 1.00 0.00 H new ATOM 0 HA LEU A 117 6.741 2.509 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.409 3.346 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.621 2.858 2.534 1.00 0.00 H new ATOM 0 HG LEU A 117 4.894 0.510 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.364 -0.127 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.818 0.895 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.271 1.593 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.547 0.138 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.389 1.869 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.675 1.351 2.626 1.00 0.00 H new ATOM 603 N ASP A 118 7.303 2.500 1.433 1.00 0.00 N ATOM 604 CA ASP A 118 7.953 1.765 0.340 1.00 0.00 C ATOM 605 C ASP A 118 9.427 1.504 0.641 1.00 0.00 C ATOM 606 O ASP A 118 9.994 0.508 0.194 1.00 0.00 O ATOM 607 CB ASP A 118 7.830 2.516 -0.989 1.00 0.00 C ATOM 608 CG ASP A 118 8.373 1.707 -2.164 1.00 0.00 C ATOM 609 OD1 ASP A 118 9.258 2.213 -2.890 1.00 0.00 O ATOM 610 OD2 ASP A 118 7.914 0.559 -2.362 1.00 0.00 O ATOM 0 H ASP A 118 6.972 3.430 1.175 1.00 0.00 H new ATOM 0 HA ASP A 118 7.437 0.809 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.783 2.759 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.369 3.461 -0.921 1.00 0.00 H new ATOM 615 N GLN A 119 10.039 2.402 1.410 1.00 0.00 N ATOM 616 CA GLN A 119 11.446 2.264 1.779 1.00 0.00 C ATOM 617 C GLN A 119 11.662 1.014 2.621 1.00 0.00 C ATOM 618 O GLN A 119 12.741 0.422 2.624 1.00 0.00 O ATOM 619 CB GLN A 119 11.924 3.501 2.535 1.00 0.00 C ATOM 620 CG GLN A 119 11.706 4.779 1.755 1.00 0.00 C ATOM 621 CD GLN A 119 12.288 6.002 2.434 1.00 0.00 C ATOM 622 OE1 GLN A 119 13.292 5.921 3.143 1.00 0.00 O ATOM 623 NE2 GLN A 119 11.651 7.143 2.238 1.00 0.00 N ATOM 0 H GLN A 119 9.583 3.232 1.789 1.00 0.00 H new ATOM 0 HA GLN A 119 12.030 2.168 0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.398 3.566 3.487 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.985 3.395 2.764 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.153 4.674 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.636 4.928 1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.823 7.169 1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.988 7.998 2.681 1.00 0.00 H new ATOM 632 N GLY A 120 10.614 0.639 3.339 1.00 0.00 N ATOM 633 CA GLY A 120 10.582 -0.635 4.043 1.00 0.00 C ATOM 634 C GLY A 120 11.599 -0.750 5.162 1.00 0.00 C ATOM 635 O GLY A 120 12.031 -1.853 5.495 1.00 0.00 O ATOM 0 H GLY A 120 9.770 1.202 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.585 -0.784 4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 120 10.754 -1.438 3.326 1.00 0.00 H new ATOM 639 N GLU A 121 11.973 0.375 5.751 1.00 0.00 N ATOM 640 CA GLU A 121 12.943 0.373 6.836 1.00 0.00 C ATOM 641 C GLU A 121 12.250 0.106 8.162 1.00 0.00 C ATOM 642 O GLU A 121 12.622 -0.804 8.904 1.00 0.00 O ATOM 643 CB GLU A 121 13.668 1.713 6.920 1.00 0.00 C ATOM 644 CG GLU A 121 14.292 2.169 5.616 1.00 0.00 C ATOM 645 CD GLU A 121 15.013 3.486 5.773 1.00 0.00 C ATOM 646 OE1 GLU A 121 14.347 4.495 6.085 1.00 0.00 O ATOM 647 OE2 GLU A 121 16.249 3.518 5.595 1.00 0.00 O ATOM 0 H GLU A 121 11.621 1.298 5.498 1.00 0.00 H new ATOM 0 HA GLU A 121 13.668 -0.415 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.963 2.473 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 121 14.449 1.643 7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 121 14.991 1.411 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 121 13.517 2.267 4.856 1.00 0.00 H new ATOM 654 N ASP A 122 11.234 0.908 8.450 1.00 0.00 N ATOM 655 CA ASP A 122 10.523 0.818 9.717 1.00 0.00 C ATOM 656 C ASP A 122 9.042 0.605 9.481 1.00 0.00 C ATOM 657 O ASP A 122 8.200 1.077 10.247 1.00 0.00 O ATOM 658 CB ASP A 122 10.745 2.079 10.556 1.00 0.00 C ATOM 659 CG ASP A 122 12.162 2.199 11.076 1.00 0.00 C ATOM 660 OD1 ASP A 122 12.479 1.557 12.099 1.00 0.00 O ATOM 661 OD2 ASP A 122 12.962 2.956 10.486 1.00 0.00 O ATOM 0 H ASP A 122 10.883 1.630 7.821 1.00 0.00 H new ATOM 0 HA ASP A 122 10.918 -0.037 10.266 1.00 0.00 H new ATOM 0 HB2 ASP A 122 10.509 2.956 9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.053 2.075 11.398 1.00 0.00 H new ATOM 666 N LYS A 123 8.747 -0.116 8.409 1.00 0.00 N ATOM 667 CA LYS A 123 7.383 -0.486 8.044 1.00 0.00 C ATOM 668 C LYS A 123 6.586 -1.004 9.245 1.00 0.00 C ATOM 669 O LYS A 123 5.409 -0.689 9.381 1.00 0.00 O ATOM 670 CB LYS A 123 7.392 -1.549 6.930 1.00 0.00 C ATOM 671 CG LYS A 123 8.051 -2.873 7.319 1.00 0.00 C ATOM 672 CD LYS A 123 9.566 -2.755 7.406 1.00 0.00 C ATOM 673 CE LYS A 123 10.200 -3.996 8.005 1.00 0.00 C ATOM 674 NZ LYS A 123 9.854 -5.222 7.239 1.00 0.00 N ATOM 0 H LYS A 123 9.453 -0.465 7.761 1.00 0.00 H new ATOM 0 HA LYS A 123 6.893 0.418 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.364 -1.746 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.910 -1.142 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.658 -3.204 8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.789 -3.637 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 123 9.974 -2.585 6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.828 -1.887 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 123 11.283 -3.875 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.871 -4.109 9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.424 -6.020 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.844 -5.437 7.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.051 -5.068 6.230 1.00 0.00 H new ATOM 688 N ALA A 124 7.235 -1.768 10.126 1.00 0.00 N ATOM 689 CA ALA A 124 6.549 -2.374 11.266 1.00 0.00 C ATOM 690 C ALA A 124 5.867 -1.321 12.133 1.00 0.00 C ATOM 691 O ALA A 124 4.737 -1.506 12.584 1.00 0.00 O ATOM 692 CB ALA A 124 7.517 -3.195 12.101 1.00 0.00 C ATOM 0 H ALA A 124 8.231 -1.980 10.071 1.00 0.00 H new ATOM 0 HA ALA A 124 5.778 -3.035 10.870 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.986 -3.637 12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 124 7.946 -3.987 11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.314 -2.551 12.472 1.00 0.00 H new ATOM 698 N LYS A 125 6.555 -0.211 12.348 1.00 0.00 N ATOM 699 CA LYS A 125 6.019 0.876 13.149 1.00 0.00 C ATOM 700 C LYS A 125 5.160 1.791 12.297 1.00 0.00 C ATOM 701 O LYS A 125 4.144 2.311 12.760 1.00 0.00 O ATOM 702 CB LYS A 125 7.149 1.677 13.776 1.00 0.00 C ATOM 703 CG LYS A 125 8.016 0.867 14.718 1.00 0.00 C ATOM 704 CD LYS A 125 9.184 1.690 15.216 1.00 0.00 C ATOM 705 CE LYS A 125 10.163 2.000 14.099 1.00 0.00 C ATOM 706 NZ LYS A 125 11.328 2.788 14.577 1.00 0.00 N ATOM 0 H LYS A 125 7.490 -0.040 11.977 1.00 0.00 H new ATOM 0 HA LYS A 125 5.404 0.446 13.939 1.00 0.00 H new ATOM 0 HB2 LYS A 125 7.774 2.089 12.984 1.00 0.00 H new ATOM 0 HB3 LYS A 125 6.726 2.521 14.320 1.00 0.00 H new ATOM 0 HG2 LYS A 125 7.420 0.524 15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 125 8.384 -0.022 14.206 1.00 0.00 H new ATOM 0 HD2 LYS A 125 8.816 2.621 15.648 1.00 0.00 H new ATOM 0 HD3 LYS A 125 9.697 1.150 16.012 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.514 1.068 13.657 1.00 0.00 H new ATOM 0 HE3 LYS A 125 9.650 2.553 13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.124 2.665 13.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.070 3.794 14.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.606 2.457 15.523 1.00 0.00 H new ATOM 720 N LEU A 126 5.573 1.984 11.051 1.00 0.00 N ATOM 721 CA LEU A 126 4.828 2.825 10.127 1.00 0.00 C ATOM 722 C LEU A 126 3.401 2.320 9.974 1.00 0.00 C ATOM 723 O LEU A 126 2.466 3.105 9.989 1.00 0.00 O ATOM 724 CB LEU A 126 5.522 2.890 8.764 1.00 0.00 C ATOM 725 CG LEU A 126 6.893 3.570 8.762 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.542 3.448 7.394 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.787 5.032 9.166 1.00 0.00 C ATOM 0 H LEU A 126 6.419 1.570 10.659 1.00 0.00 H new ATOM 0 HA LEU A 126 4.796 3.833 10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.637 1.875 8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.871 3.419 8.068 1.00 0.00 H new ATOM 0 HG LEU A 126 7.518 3.063 9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.516 3.936 7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.668 2.395 7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.908 3.925 6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.778 5.485 9.154 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.139 5.557 8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.367 5.103 10.170 1.00 0.00 H new ATOM 739 N MET A 127 3.228 1.007 9.864 1.00 0.00 N ATOM 740 CA MET A 127 1.891 0.425 9.741 1.00 0.00 C ATOM 741 C MET A 127 0.985 0.906 10.872 1.00 0.00 C ATOM 742 O MET A 127 -0.190 1.202 10.658 1.00 0.00 O ATOM 743 CB MET A 127 1.944 -1.104 9.750 1.00 0.00 C ATOM 744 CG MET A 127 2.750 -1.711 8.614 1.00 0.00 C ATOM 745 SD MET A 127 2.465 -0.907 7.024 1.00 0.00 S ATOM 746 CE MET A 127 0.711 -1.159 6.776 1.00 0.00 C ATOM 0 H MET A 127 3.989 0.328 9.857 1.00 0.00 H new ATOM 0 HA MET A 127 1.483 0.755 8.786 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.369 -1.435 10.698 1.00 0.00 H new ATOM 0 HB3 MET A 127 0.926 -1.491 9.704 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.811 -1.651 8.858 1.00 0.00 H new ATOM 0 HG3 MET A 127 2.502 -2.769 8.527 1.00 0.00 H new ATOM 0 HE1 MET A 127 0.494 -1.184 5.708 1.00 0.00 H new ATOM 0 HE2 MET A 127 0.411 -2.104 7.229 1.00 0.00 H new ATOM 0 HE3 MET A 127 0.157 -0.343 7.239 1.00 0.00 H new ATOM 756 N ARG A 128 1.547 0.999 12.069 1.00 0.00 N ATOM 757 CA ARG A 128 0.805 1.471 13.234 1.00 0.00 C ATOM 758 C ARG A 128 0.528 2.965 13.112 1.00 0.00 C ATOM 759 O ARG A 128 -0.605 3.422 13.277 1.00 0.00 O ATOM 760 CB ARG A 128 1.605 1.221 14.515 1.00 0.00 C ATOM 761 CG ARG A 128 2.039 -0.219 14.714 1.00 0.00 C ATOM 762 CD ARG A 128 0.859 -1.140 14.957 1.00 0.00 C ATOM 763 NE ARG A 128 1.300 -2.496 15.259 1.00 0.00 N ATOM 764 CZ ARG A 128 0.486 -3.517 15.511 1.00 0.00 C ATOM 765 NH1 ARG A 128 -0.830 -3.353 15.469 1.00 0.00 N ATOM 766 NH2 ARG A 128 0.997 -4.702 15.808 1.00 0.00 N ATOM 0 H ARG A 128 2.518 0.753 12.261 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.137 0.924 13.280 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.491 1.856 14.505 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.003 1.527 15.370 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.588 -0.557 13.835 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.725 -0.277 15.559 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.260 -0.757 15.784 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.216 -1.152 14.077 1.00 0.00 H new ATOM 0 HE ARG A 128 2.304 -2.674 15.278 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.223 -2.440 15.242 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.449 -4.140 15.663 1.00 0.00 H new ATOM 0 HH21 ARG A 128 2.009 -4.827 15.842 1.00 0.00 H new ATOM 0 HH22 ARG A 128 0.379 -5.490 16.002 1.00 0.00 H new ATOM 780 N ALA A 129 1.579 3.711 12.796 1.00 0.00 N ATOM 781 CA ALA A 129 1.525 5.166 12.758 1.00 0.00 C ATOM 782 C ALA A 129 0.700 5.685 11.584 1.00 0.00 C ATOM 783 O ALA A 129 0.264 6.830 11.588 1.00 0.00 O ATOM 784 CB ALA A 129 2.935 5.729 12.699 1.00 0.00 C ATOM 0 H ALA A 129 2.492 3.324 12.559 1.00 0.00 H new ATOM 0 HA ALA A 129 1.030 5.502 13.669 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.891 6.818 12.671 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.491 5.411 13.581 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.436 5.363 11.803 1.00 0.00 H new ATOM 790 N TYR A 130 0.494 4.855 10.579 1.00 0.00 N ATOM 791 CA TYR A 130 -0.278 5.262 9.413 1.00 0.00 C ATOM 792 C TYR A 130 -1.766 5.051 9.655 1.00 0.00 C ATOM 793 O TYR A 130 -2.603 5.746 9.081 1.00 0.00 O ATOM 794 CB TYR A 130 0.166 4.490 8.170 1.00 0.00 C ATOM 795 CG TYR A 130 1.533 4.881 7.639 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.490 5.476 8.455 1.00 0.00 C ATOM 797 CD2 TYR A 130 1.874 4.631 6.319 1.00 0.00 C ATOM 798 CE1 TYR A 130 3.732 5.810 7.971 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.113 4.967 5.830 1.00 0.00 C ATOM 800 CZ TYR A 130 4.036 5.554 6.658 1.00 0.00 C ATOM 801 OH TYR A 130 5.272 5.883 6.170 1.00 0.00 O ATOM 0 H TYR A 130 0.847 3.899 10.543 1.00 0.00 H new ATOM 0 HA TYR A 130 -0.097 6.324 9.244 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.172 3.425 8.402 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.572 4.640 7.382 1.00 0.00 H new ATOM 0 HD1 TYR A 130 2.252 5.679 9.489 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.153 4.164 5.664 1.00 0.00 H new ATOM 0 HE1 TYR A 130 4.463 6.270 8.619 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.360 4.770 4.797 1.00 0.00 H new ATOM 0 HH TYR A 130 5.249 5.878 5.190 1.00 0.00 H new ATOM 811 N MET A 131 -2.092 4.108 10.531 1.00 0.00 N ATOM 812 CA MET A 131 -3.484 3.797 10.840 1.00 0.00 C ATOM 813 C MET A 131 -4.063 4.793 11.841 1.00 0.00 C ATOM 814 O MET A 131 -5.224 4.687 12.237 1.00 0.00 O ATOM 815 CB MET A 131 -3.610 2.374 11.390 1.00 0.00 C ATOM 816 CG MET A 131 -3.326 1.272 10.375 1.00 0.00 C ATOM 817 SD MET A 131 -4.689 0.968 9.222 1.00 0.00 S ATOM 818 CE MET A 131 -4.422 2.233 7.978 1.00 0.00 C ATOM 0 H MET A 131 -1.411 3.545 11.041 1.00 0.00 H new ATOM 0 HA MET A 131 -4.052 3.871 9.913 1.00 0.00 H new ATOM 0 HB2 MET A 131 -2.924 2.261 12.230 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.618 2.238 11.781 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.434 1.536 9.807 1.00 0.00 H new ATOM 0 HG3 MET A 131 -3.102 0.349 10.909 1.00 0.00 H new ATOM 0 HE1 MET A 131 -4.817 1.891 7.021 1.00 0.00 H new ATOM 0 HE2 MET A 131 -4.933 3.149 8.275 1.00 0.00 H new ATOM 0 HE3 MET A 131 -3.354 2.428 7.881 1.00 0.00 H new ATOM 828 N GLN A 132 -3.253 5.755 12.252 1.00 0.00 N ATOM 829 CA GLN A 132 -3.716 6.790 13.164 1.00 0.00 C ATOM 830 C GLN A 132 -3.910 8.105 12.417 1.00 0.00 C ATOM 831 O GLN A 132 -4.378 9.090 12.985 1.00 0.00 O ATOM 832 CB GLN A 132 -2.725 6.972 14.313 1.00 0.00 C ATOM 833 CG GLN A 132 -1.425 7.626 13.891 1.00 0.00 C ATOM 834 CD GLN A 132 -0.375 7.610 14.978 1.00 0.00 C ATOM 835 OE1 GLN A 132 -0.311 6.687 15.789 1.00 0.00 O ATOM 836 NE2 GLN A 132 0.449 8.640 15.002 1.00 0.00 N ATOM 0 H GLN A 132 -2.276 5.842 11.971 1.00 0.00 H new ATOM 0 HA GLN A 132 -4.675 6.481 13.581 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.191 7.576 15.092 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.507 5.999 14.752 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.036 7.114 13.011 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -1.622 8.658 13.599 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.358 9.382 14.308 1.00 0.00 H new ATOM 0 HE22 GLN A 132 1.177 8.694 15.714 1.00 0.00 H new ATOM 845 N GLU A 133 -3.537 8.119 11.141 1.00 0.00 N ATOM 846 CA GLU A 133 -3.685 9.314 10.325 1.00 0.00 C ATOM 847 C GLU A 133 -4.840 9.133 9.350 1.00 0.00 C ATOM 848 O GLU A 133 -4.824 8.213 8.528 1.00 0.00 O ATOM 849 CB GLU A 133 -2.398 9.621 9.555 1.00 0.00 C ATOM 850 CG GLU A 133 -1.135 9.291 10.327 1.00 0.00 C ATOM 851 CD GLU A 133 -0.012 10.273 10.082 1.00 0.00 C ATOM 852 OE1 GLU A 133 0.408 10.949 11.047 1.00 0.00 O ATOM 853 OE2 GLU A 133 0.460 10.374 8.937 1.00 0.00 O ATOM 0 H GLU A 133 -3.132 7.319 10.654 1.00 0.00 H new ATOM 0 HA GLU A 133 -3.894 10.155 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -2.400 9.059 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.386 10.678 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.364 9.269 11.393 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.800 8.291 10.052 1.00 0.00 H new ATOM 860 N PRO A 134 -5.847 10.019 9.415 1.00 0.00 N ATOM 861 CA PRO A 134 -7.059 9.925 8.589 1.00 0.00 C ATOM 862 C PRO A 134 -6.771 10.009 7.091 1.00 0.00 C ATOM 863 O PRO A 134 -7.638 9.716 6.270 1.00 0.00 O ATOM 864 CB PRO A 134 -7.913 11.113 9.045 1.00 0.00 C ATOM 865 CG PRO A 134 -6.959 12.049 9.704 1.00 0.00 C ATOM 866 CD PRO A 134 -5.887 11.189 10.310 1.00 0.00 C ATOM 0 HA PRO A 134 -7.551 8.961 8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.410 11.588 8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.693 10.795 9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.537 12.748 8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -7.460 12.644 10.468 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -4.927 11.705 10.342 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.130 10.905 11.334 1.00 0.00 H new ATOM 874 N LEU A 135 -5.563 10.415 6.736 1.00 0.00 N ATOM 875 CA LEU A 135 -5.178 10.484 5.335 1.00 0.00 C ATOM 876 C LEU A 135 -4.858 9.099 4.784 1.00 0.00 C ATOM 877 O LEU A 135 -5.248 8.765 3.669 1.00 0.00 O ATOM 878 CB LEU A 135 -3.981 11.421 5.122 1.00 0.00 C ATOM 879 CG LEU A 135 -4.281 12.914 5.277 1.00 0.00 C ATOM 880 CD1 LEU A 135 -4.356 13.310 6.742 1.00 0.00 C ATOM 881 CD2 LEU A 135 -3.248 13.751 4.543 1.00 0.00 C ATOM 0 H LEU A 135 -4.836 10.700 7.393 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.030 10.890 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.198 11.150 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.580 11.250 4.123 1.00 0.00 H new ATOM 0 HG LEU A 135 -5.256 13.107 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -4.570 14.376 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -5.148 12.744 7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -3.403 13.095 7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.482 14.808 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -2.258 13.548 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -3.262 13.498 3.483 1.00 0.00 H new ATOM 893 N PHE A 136 -4.182 8.273 5.573 1.00 0.00 N ATOM 894 CA PHE A 136 -3.704 6.994 5.068 1.00 0.00 C ATOM 895 C PHE A 136 -4.761 5.923 5.267 1.00 0.00 C ATOM 896 O PHE A 136 -4.892 5.002 4.462 1.00 0.00 O ATOM 897 CB PHE A 136 -2.405 6.592 5.759 1.00 0.00 C ATOM 898 CG PHE A 136 -1.691 5.462 5.074 1.00 0.00 C ATOM 899 CD1 PHE A 136 -0.837 5.715 4.013 1.00 0.00 C ATOM 900 CD2 PHE A 136 -1.870 4.153 5.488 1.00 0.00 C ATOM 901 CE1 PHE A 136 -0.172 4.683 3.380 1.00 0.00 C ATOM 902 CE2 PHE A 136 -1.209 3.118 4.859 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.359 3.384 3.803 1.00 0.00 C ATOM 0 H PHE A 136 -3.956 8.462 6.549 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.506 7.098 4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -1.743 7.457 5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -2.623 6.304 6.787 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -0.689 6.731 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.534 3.940 6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 136 0.493 4.893 2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -1.356 2.101 5.192 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.159 2.575 3.309 1.00 0.00 H new ATOM 913 N VAL A 137 -5.513 6.057 6.344 1.00 0.00 N ATOM 914 CA VAL A 137 -6.594 5.134 6.647 1.00 0.00 C ATOM 915 C VAL A 137 -7.620 5.091 5.521 1.00 0.00 C ATOM 916 O VAL A 137 -8.019 4.019 5.080 1.00 0.00 O ATOM 917 CB VAL A 137 -7.300 5.523 7.951 1.00 0.00 C ATOM 918 CG1 VAL A 137 -6.439 5.213 9.160 1.00 0.00 C ATOM 919 CG2 VAL A 137 -7.667 6.968 7.933 1.00 0.00 C ATOM 0 H VAL A 137 -5.394 6.803 7.030 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.146 4.146 6.758 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.210 4.928 8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -6.969 5.501 10.068 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -6.224 4.145 9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -5.504 5.770 9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -8.167 7.228 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -6.766 7.571 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.337 7.163 7.095 1.00 0.00 H new ATOM 929 N GLU A 138 -8.038 6.263 5.059 1.00 0.00 N ATOM 930 CA GLU A 138 -9.005 6.355 3.975 1.00 0.00 C ATOM 931 C GLU A 138 -8.403 5.854 2.671 1.00 0.00 C ATOM 932 O GLU A 138 -9.096 5.250 1.858 1.00 0.00 O ATOM 933 CB GLU A 138 -9.524 7.784 3.807 1.00 0.00 C ATOM 934 CG GLU A 138 -8.461 8.804 3.446 1.00 0.00 C ATOM 935 CD GLU A 138 -9.056 10.157 3.125 1.00 0.00 C ATOM 936 OE1 GLU A 138 -9.034 10.558 1.948 1.00 0.00 O ATOM 937 OE2 GLU A 138 -9.578 10.816 4.047 1.00 0.00 O ATOM 0 H GLU A 138 -7.721 7.163 5.419 1.00 0.00 H new ATOM 0 HA GLU A 138 -9.851 5.719 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -10.291 7.789 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -10.005 8.093 4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -7.759 8.904 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -7.892 8.446 2.588 1.00 0.00 H new ATOM 944 N PHE A 139 -7.109 6.101 2.480 1.00 0.00 N ATOM 945 CA PHE A 139 -6.391 5.560 1.336 1.00 0.00 C ATOM 946 C PHE A 139 -6.495 4.045 1.351 1.00 0.00 C ATOM 947 O PHE A 139 -6.869 3.421 0.356 1.00 0.00 O ATOM 948 CB PHE A 139 -4.924 6.005 1.381 1.00 0.00 C ATOM 949 CG PHE A 139 -4.014 5.244 0.457 1.00 0.00 C ATOM 950 CD1 PHE A 139 -3.947 5.556 -0.889 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.219 4.217 0.944 1.00 0.00 C ATOM 952 CE1 PHE A 139 -3.105 4.857 -1.734 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.377 3.517 0.105 1.00 0.00 C ATOM 954 CZ PHE A 139 -2.320 3.836 -1.236 1.00 0.00 C ATOM 0 H PHE A 139 -6.539 6.672 3.104 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.832 5.935 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.871 7.065 1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.556 5.899 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -4.559 6.354 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -3.260 3.962 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -3.061 5.109 -2.783 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -1.763 2.720 0.498 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.663 3.288 -1.895 1.00 0.00 H new ATOM 964 N ALA A 140 -6.196 3.473 2.507 1.00 0.00 N ATOM 965 CA ALA A 140 -6.297 2.044 2.709 1.00 0.00 C ATOM 966 C ALA A 140 -7.730 1.572 2.511 1.00 0.00 C ATOM 967 O ALA A 140 -7.979 0.605 1.795 1.00 0.00 O ATOM 968 CB ALA A 140 -5.801 1.675 4.099 1.00 0.00 C ATOM 0 H ALA A 140 -5.878 3.989 3.327 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.670 1.545 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.882 0.597 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.759 1.978 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.406 2.185 4.849 1.00 0.00 H new ATOM 974 N ASP A 141 -8.669 2.294 3.112 1.00 0.00 N ATOM 975 CA ASP A 141 -10.080 1.912 3.078 1.00 0.00 C ATOM 976 C ASP A 141 -10.603 1.892 1.647 1.00 0.00 C ATOM 977 O ASP A 141 -11.449 1.074 1.285 1.00 0.00 O ATOM 978 CB ASP A 141 -10.899 2.887 3.929 1.00 0.00 C ATOM 979 CG ASP A 141 -12.387 2.597 3.902 1.00 0.00 C ATOM 980 OD1 ASP A 141 -13.136 3.367 3.264 1.00 0.00 O ATOM 981 OD2 ASP A 141 -12.816 1.604 4.531 1.00 0.00 O ATOM 0 H ASP A 141 -8.480 3.151 3.631 1.00 0.00 H new ATOM 0 HA ASP A 141 -10.179 0.907 3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.546 2.845 4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.727 3.903 3.574 1.00 0.00 H new ATOM 986 N CYS A 142 -10.056 2.772 0.830 1.00 0.00 N ATOM 987 CA CYS A 142 -10.500 2.927 -0.542 1.00 0.00 C ATOM 988 C CYS A 142 -9.863 1.896 -1.472 1.00 0.00 C ATOM 989 O CYS A 142 -10.526 1.379 -2.373 1.00 0.00 O ATOM 990 CB CYS A 142 -10.183 4.340 -1.016 1.00 0.00 C ATOM 991 SG CYS A 142 -11.174 5.620 -0.210 1.00 0.00 S ATOM 0 H CYS A 142 -9.295 3.397 1.097 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.577 2.759 -0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -9.127 4.545 -0.838 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -10.341 4.396 -2.093 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.700 5.852 0.978 1.00 0.00 H new ATOM 997 N CYS A 143 -8.589 1.584 -1.256 1.00 0.00 N ATOM 998 CA CYS A 143 -7.883 0.664 -2.141 1.00 0.00 C ATOM 999 C CYS A 143 -8.336 -0.776 -1.917 1.00 0.00 C ATOM 1000 O CYS A 143 -8.295 -1.593 -2.836 1.00 0.00 O ATOM 1001 CB CYS A 143 -6.369 0.785 -1.959 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.788 0.480 -0.277 1.00 0.00 S ATOM 0 H CYS A 143 -8.030 1.950 -0.485 1.00 0.00 H new ATOM 0 HA CYS A 143 -8.129 0.939 -3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.878 0.082 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -6.059 1.785 -2.261 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.805 0.428 0.531 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.800 -1.073 -0.705 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.255 -2.420 -0.366 1.00 0.00 C ATOM 1010 C LEU A 144 -10.409 -2.849 -1.259 1.00 0.00 C ATOM 1011 O LEU A 144 -10.482 -4.003 -1.677 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.684 -2.492 1.100 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.584 -2.181 2.114 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -9.133 -2.243 3.526 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.417 -3.139 1.950 1.00 0.00 C ATOM 0 H LEU A 144 -8.871 -0.400 0.058 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.419 -3.101 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.508 -1.795 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -10.070 -3.492 1.301 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.222 -1.170 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.337 -2.019 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.934 -1.513 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.523 -3.242 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.645 -2.900 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.761 -4.161 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -7.007 -3.044 0.945 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.296 -1.913 -1.567 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.430 -2.224 -2.415 1.00 0.00 C ATOM 1029 C GLY A 145 -12.029 -2.436 -3.859 1.00 0.00 C ATOM 1030 O GLY A 145 -12.785 -3.001 -4.649 1.00 0.00 O ATOM 0 H GLY A 145 -11.251 -0.946 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.924 -3.121 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -13.156 -1.413 -2.358 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.834 -1.986 -4.210 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.345 -2.104 -5.572 1.00 0.00 C ATOM 1036 C ILE A 146 -9.564 -3.404 -5.760 1.00 0.00 C ATOM 1037 O ILE A 146 -9.527 -3.963 -6.857 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.444 -0.907 -5.939 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -10.116 0.405 -5.532 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -9.145 -0.905 -7.433 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -9.216 1.612 -5.660 1.00 0.00 C ATOM 0 H ILE A 146 -10.184 -1.534 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.212 -2.112 -6.232 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.503 -1.002 -5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -11.002 0.556 -6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.456 0.324 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.508 -0.054 -7.675 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.634 -1.829 -7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -10.078 -0.830 -7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -9.760 2.506 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.342 1.483 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.896 1.719 -6.696 1.00 0.00 H new ATOM 1053 N VAL A 147 -8.949 -3.891 -4.686 1.00 0.00 N ATOM 1054 CA VAL A 147 -8.098 -5.076 -4.770 1.00 0.00 C ATOM 1055 C VAL A 147 -8.832 -6.354 -4.378 1.00 0.00 C ATOM 1056 O VAL A 147 -8.219 -7.420 -4.336 1.00 0.00 O ATOM 1057 CB VAL A 147 -6.838 -4.952 -3.890 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -6.006 -3.751 -4.297 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -7.212 -4.879 -2.421 1.00 0.00 C ATOM 0 H VAL A 147 -9.023 -3.487 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 147 -7.806 -5.139 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.232 -5.845 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -5.124 -3.687 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -5.696 -3.858 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.599 -2.843 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -6.307 -4.792 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.847 -4.010 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.751 -5.783 -2.137 1.00 0.00 H new ATOM 1069 N GLU A 148 -10.122 -6.251 -4.072 1.00 0.00 N ATOM 1070 CA GLU A 148 -10.926 -7.438 -3.771 1.00 0.00 C ATOM 1071 C GLU A 148 -10.879 -8.425 -4.936 1.00 0.00 C ATOM 1072 O GLU A 148 -11.416 -8.151 -6.010 1.00 0.00 O ATOM 1073 CB GLU A 148 -12.384 -7.068 -3.485 1.00 0.00 C ATOM 1074 CG GLU A 148 -12.586 -6.257 -2.218 1.00 0.00 C ATOM 1075 CD GLU A 148 -14.052 -6.089 -1.874 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -14.480 -6.577 -0.809 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -14.791 -5.482 -2.677 1.00 0.00 O ATOM 0 H GLU A 148 -10.632 -5.369 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 148 -10.501 -7.901 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -12.776 -6.503 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -12.972 -7.983 -3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -12.074 -6.747 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -12.128 -5.275 -2.340 1.00 0.00 H new ATOM 1197 N ILE B 463 -7.627 -6.866 9.717 1.00 0.00 N ATOM 1198 CA ILE B 463 -6.639 -5.801 9.618 1.00 0.00 C ATOM 1199 C ILE B 463 -5.258 -6.346 9.270 1.00 0.00 C ATOM 1200 O ILE B 463 -4.498 -5.694 8.558 1.00 0.00 O ATOM 1201 CB ILE B 463 -6.553 -4.985 10.928 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -7.937 -4.457 11.318 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -5.569 -3.830 10.773 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -7.949 -3.695 12.625 1.00 0.00 C ATOM 0 HA ILE B 463 -6.970 -5.144 8.813 1.00 0.00 H new ATOM 0 HB ILE B 463 -6.194 -5.641 11.721 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -8.305 -3.807 10.525 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -8.630 -5.296 11.390 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -5.521 -3.266 11.704 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -4.581 -4.223 10.535 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -5.902 -3.174 9.968 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -8.962 -3.351 12.837 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -7.612 -4.348 13.430 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -7.282 -2.836 12.551 1.00 0.00 H new ATOM 1216 N ARG B 464 -4.942 -7.542 9.761 1.00 0.00 N ATOM 1217 CA ARG B 464 -3.662 -8.177 9.444 1.00 0.00 C ATOM 1218 C ARG B 464 -3.531 -8.318 7.934 1.00 0.00 C ATOM 1219 O ARG B 464 -2.500 -7.992 7.345 1.00 0.00 O ATOM 1220 CB ARG B 464 -3.555 -9.556 10.102 1.00 0.00 C ATOM 1221 CG ARG B 464 -3.695 -9.532 11.614 1.00 0.00 C ATOM 1222 CD ARG B 464 -3.679 -10.936 12.195 1.00 0.00 C ATOM 1223 NE ARG B 464 -3.967 -10.941 13.626 1.00 0.00 N ATOM 1224 CZ ARG B 464 -4.188 -12.044 14.339 1.00 0.00 C ATOM 1225 NH1 ARG B 464 -4.133 -13.237 13.757 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -4.474 -11.947 15.629 1.00 0.00 N ATOM 0 H ARG B 464 -5.547 -8.088 10.374 1.00 0.00 H new ATOM 0 HA ARG B 464 -2.858 -7.551 9.831 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -4.325 -10.206 9.686 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -2.592 -9.997 9.844 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -2.883 -8.948 12.047 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -4.626 -9.034 11.887 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -4.414 -11.551 11.676 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -2.703 -11.389 12.020 1.00 0.00 H new ATOM 0 HE ARG B 464 -4.001 -10.044 14.110 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -3.921 -13.310 12.762 1.00 0.00 H new ATOM 0 HH12 ARG B 464 -4.303 -14.080 14.305 1.00 0.00 H new ATOM 0 HH21 ARG B 464 -4.524 -11.030 16.073 1.00 0.00 H new ATOM 0 HH22 ARG B 464 -4.644 -12.789 16.178 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.606 -8.784 7.318 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.682 -8.894 5.874 1.00 0.00 C ATOM 1242 C HIS B 465 -4.700 -7.512 5.234 1.00 0.00 C ATOM 1243 O HIS B 465 -3.852 -7.195 4.406 1.00 0.00 O ATOM 1244 CB HIS B 465 -5.933 -9.686 5.472 1.00 0.00 C ATOM 1245 CG HIS B 465 -6.283 -9.580 4.017 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -5.613 -10.253 3.025 1.00 0.00 N ATOM 1247 CD2 HIS B 465 -7.239 -8.856 3.396 1.00 0.00 C ATOM 1248 CE1 HIS B 465 -6.139 -9.952 1.854 1.00 0.00 C ATOM 1249 NE2 HIS B 465 -7.132 -9.105 2.052 1.00 0.00 N ATOM 0 H HIS B 465 -5.447 -9.095 7.805 1.00 0.00 H new ATOM 0 HA HIS B 465 -3.800 -9.426 5.517 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -5.782 -10.736 5.723 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -6.778 -9.335 6.065 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -7.955 -8.202 3.870 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -5.813 -10.333 0.897 1.00 0.00 H new ATOM 0 HE2 HIS B 465 -7.723 -8.702 1.325 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.658 -6.695 5.648 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.905 -5.403 5.022 1.00 0.00 C ATOM 1260 C GLU B 466 -4.668 -4.505 5.021 1.00 0.00 C ATOM 1261 O GLU B 466 -4.327 -3.930 3.992 1.00 0.00 O ATOM 1262 CB GLU B 466 -7.069 -4.697 5.718 1.00 0.00 C ATOM 1263 CG GLU B 466 -8.406 -5.398 5.522 1.00 0.00 C ATOM 1264 CD GLU B 466 -9.499 -4.852 6.423 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -9.932 -3.699 6.216 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -9.943 -5.584 7.335 1.00 0.00 O ATOM 0 H GLU B 466 -6.284 -6.908 6.425 1.00 0.00 H new ATOM 0 HA GLU B 466 -6.161 -5.594 3.980 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -6.857 -4.628 6.785 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -7.143 -3.677 5.341 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -8.715 -5.295 4.482 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -8.283 -6.464 5.714 1.00 0.00 H new ATOM 1273 N ARG B 467 -3.981 -4.402 6.154 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.844 -3.491 6.251 1.00 0.00 C ATOM 1275 C ARG B 467 -1.628 -4.036 5.501 1.00 0.00 C ATOM 1276 O ARG B 467 -0.810 -3.269 5.000 1.00 0.00 O ATOM 1277 CB ARG B 467 -2.488 -3.187 7.710 1.00 0.00 C ATOM 1278 CG ARG B 467 -1.749 -4.298 8.433 1.00 0.00 C ATOM 1279 CD ARG B 467 -1.373 -3.869 9.839 1.00 0.00 C ATOM 1280 NE ARG B 467 -0.501 -4.844 10.494 1.00 0.00 N ATOM 1281 CZ ARG B 467 0.405 -4.533 11.418 1.00 0.00 C ATOM 1282 NH1 ARG B 467 0.503 -3.289 11.870 1.00 0.00 N ATOM 1283 NH2 ARG B 467 1.197 -5.475 11.916 1.00 0.00 N ATOM 0 H ARG B 467 -4.185 -4.927 7.004 1.00 0.00 H new ATOM 0 HA ARG B 467 -3.142 -2.555 5.778 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -1.877 -2.285 7.739 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -3.406 -2.967 8.254 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -2.375 -5.190 8.475 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -0.850 -4.565 7.877 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -0.872 -2.902 9.801 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -2.278 -3.736 10.432 1.00 0.00 H new ATOM 0 HE ARG B 467 -0.593 -5.824 10.226 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -0.118 -2.565 11.509 1.00 0.00 H new ATOM 0 HH12 ARG B 467 1.199 -3.057 12.578 1.00 0.00 H new ATOM 0 HH21 ARG B 467 1.111 -6.438 11.590 1.00 0.00 H new ATOM 0 HH22 ARG B 467 1.891 -5.236 12.624 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.520 -5.355 5.398 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.414 -5.957 4.657 1.00 0.00 C ATOM 1299 C ASN B 468 -0.708 -5.860 3.166 1.00 0.00 C ATOM 1300 O ASN B 468 0.196 -5.801 2.336 1.00 0.00 O ATOM 1301 CB ASN B 468 -0.173 -7.413 5.095 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.473 -8.439 4.013 1.00 0.00 C ATOM 1303 OD1 ASN B 468 -1.682 -8.977 4.023 1.00 0.00 O flip ATOM 1304 ND2 ASN B 468 0.384 -8.757 3.188 1.00 0.00 N flip ATOM 0 H ASN B 468 -2.173 -6.021 5.811 1.00 0.00 H new ATOM 0 HA ASN B 468 0.505 -5.413 4.874 1.00 0.00 H new ATOM 0 HB2 ASN B 468 0.866 -7.521 5.407 1.00 0.00 H new ATOM 0 HB3 ASN B 468 -0.791 -7.627 5.967 1.00 0.00 H new ATOM 0 HD21 ASN B 468 1.305 -8.319 3.214 1.00 0.00 H new ATOM 0 HD22 ASN B 468 0.173 -9.459 2.479 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.996 -5.819 2.851 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.471 -5.579 1.500 1.00 0.00 C ATOM 1313 C VAL B 469 -2.012 -4.208 1.004 1.00 0.00 C ATOM 1314 O VAL B 469 -1.704 -4.027 -0.178 1.00 0.00 O ATOM 1315 CB VAL B 469 -4.015 -5.678 1.462 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.619 -4.821 0.366 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.442 -7.122 1.293 1.00 0.00 C ATOM 0 H VAL B 469 -2.743 -5.953 3.532 1.00 0.00 H new ATOM 0 HA VAL B 469 -2.050 -6.337 0.840 1.00 0.00 H new ATOM 0 HB VAL B 469 -4.388 -5.297 2.413 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.704 -4.924 0.380 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -4.352 -3.777 0.531 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -4.236 -5.145 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.530 -7.179 1.268 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -4.036 -7.515 0.361 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -4.067 -7.712 2.129 1.00 0.00 H new ATOM 1327 N ILE B 470 -1.938 -3.259 1.925 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.547 -1.896 1.597 1.00 0.00 C ATOM 1329 C ILE B 470 -0.099 -1.848 1.119 1.00 0.00 C ATOM 1330 O ILE B 470 0.272 -0.988 0.319 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.729 -0.955 2.807 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -3.126 -1.124 3.408 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.506 0.492 2.396 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.248 -0.935 2.412 1.00 0.00 C ATOM 0 H ILE B 470 -2.145 -3.409 2.912 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.198 -1.554 0.792 1.00 0.00 H new ATOM 0 HB ILE B 470 -0.989 -1.219 3.562 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -3.205 -2.119 3.845 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -3.250 -0.408 4.221 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.639 1.141 3.262 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.494 0.608 2.007 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.225 0.766 1.624 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -5.206 -1.071 2.913 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.197 0.070 1.993 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.151 -1.668 1.611 1.00 0.00 H new ATOM 1346 N LEU B 471 0.708 -2.795 1.593 1.00 0.00 N ATOM 1347 CA LEU B 471 2.104 -2.900 1.174 1.00 0.00 C ATOM 1348 C LEU B 471 2.189 -3.165 -0.325 1.00 0.00 C ATOM 1349 O LEU B 471 3.149 -2.774 -0.986 1.00 0.00 O ATOM 1350 CB LEU B 471 2.811 -4.023 1.938 1.00 0.00 C ATOM 1351 CG LEU B 471 2.825 -3.869 3.459 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.416 -5.108 4.114 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.612 -2.632 3.863 1.00 0.00 C ATOM 0 H LEU B 471 0.418 -3.502 2.269 1.00 0.00 H new ATOM 0 HA LEU B 471 2.599 -1.955 1.397 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.329 -4.969 1.689 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.841 -4.087 1.586 1.00 0.00 H new ATOM 0 HG LEU B 471 1.797 -3.752 3.801 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.418 -4.981 5.197 1.00 0.00 H new ATOM 0 HD12 LEU B 471 2.816 -5.979 3.852 1.00 0.00 H new ATOM 0 HD13 LEU B 471 4.438 -5.253 3.763 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.611 -2.539 4.949 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.638 -2.722 3.507 1.00 0.00 H new ATOM 0 HD23 LEU B 471 3.151 -1.748 3.423 1.00 0.00 H new ATOM 1365 N GLN B 472 1.175 -3.839 -0.851 1.00 0.00 N ATOM 1366 CA GLN B 472 1.090 -4.102 -2.281 1.00 0.00 C ATOM 1367 C GLN B 472 0.536 -2.880 -3.004 1.00 0.00 C ATOM 1368 O GLN B 472 1.017 -2.505 -4.072 1.00 0.00 O ATOM 1369 CB GLN B 472 0.202 -5.321 -2.564 1.00 0.00 C ATOM 1370 CG GLN B 472 0.856 -6.669 -2.276 1.00 0.00 C ATOM 1371 CD GLN B 472 1.246 -6.850 -0.823 1.00 0.00 C ATOM 1372 OE1 GLN B 472 2.370 -6.550 -0.425 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.312 -7.332 -0.017 1.00 0.00 N ATOM 0 H GLN B 472 0.398 -4.214 -0.307 1.00 0.00 H new ATOM 0 HA GLN B 472 2.094 -4.315 -2.648 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.706 -5.238 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN B 472 -0.102 -5.297 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN B 472 0.170 -7.466 -2.562 1.00 0.00 H new ATOM 0 HG3 GLN B 472 1.744 -6.774 -2.899 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.609 -7.569 -0.387 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.513 -7.467 0.974 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.461 -2.251 -2.391 1.00 0.00 N ATOM 1383 CA CYS B 473 -1.135 -1.100 -2.980 1.00 0.00 C ATOM 1384 C CYS B 473 -0.160 0.057 -3.177 1.00 0.00 C ATOM 1385 O CYS B 473 0.015 0.548 -4.293 1.00 0.00 O ATOM 1386 CB CYS B 473 -2.299 -0.668 -2.084 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.492 -1.986 -1.755 1.00 0.00 S ATOM 0 H CYS B 473 -0.823 -2.523 -1.477 1.00 0.00 H new ATOM 0 HA CYS B 473 -1.523 -1.385 -3.958 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.901 -0.306 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.816 0.169 -2.554 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.916 -2.933 -1.075 1.00 0.00 H new ATOM 1393 N VAL B 474 0.475 0.475 -2.087 1.00 0.00 N ATOM 1394 CA VAL B 474 1.472 1.526 -2.126 1.00 0.00 C ATOM 1395 C VAL B 474 2.568 1.216 -3.140 1.00 0.00 C ATOM 1396 O VAL B 474 2.867 2.036 -4.005 1.00 0.00 O ATOM 1397 CB VAL B 474 2.107 1.721 -0.732 1.00 0.00 C ATOM 1398 CG1 VAL B 474 3.236 2.737 -0.781 1.00 0.00 C ATOM 1399 CG2 VAL B 474 1.052 2.142 0.278 1.00 0.00 C ATOM 0 H VAL B 474 0.310 0.092 -1.156 1.00 0.00 H new ATOM 0 HA VAL B 474 0.967 2.443 -2.429 1.00 0.00 H new ATOM 0 HB VAL B 474 2.529 0.767 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL B 474 3.664 2.854 0.215 1.00 0.00 H new ATOM 0 HG12 VAL B 474 4.007 2.391 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL B 474 2.848 3.696 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL B 474 1.516 2.275 1.255 1.00 0.00 H new ATOM 0 HG22 VAL B 474 0.599 3.081 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL B 474 0.283 1.372 0.344 1.00 0.00 H new ATOM 1409 N ARG B 475 3.126 0.015 -3.053 1.00 0.00 N ATOM 1410 CA ARG B 475 4.306 -0.341 -3.833 1.00 0.00 C ATOM 1411 C ARG B 475 4.020 -0.346 -5.331 1.00 0.00 C ATOM 1412 O ARG B 475 4.870 0.055 -6.124 1.00 0.00 O ATOM 1413 CB ARG B 475 4.845 -1.695 -3.380 1.00 0.00 C ATOM 1414 CG ARG B 475 6.095 -2.136 -4.118 1.00 0.00 C ATOM 1415 CD ARG B 475 7.000 -2.948 -3.212 1.00 0.00 C ATOM 1416 NE ARG B 475 7.585 -2.120 -2.159 1.00 0.00 N ATOM 1417 CZ ARG B 475 7.805 -2.532 -0.915 1.00 0.00 C ATOM 1418 NH1 ARG B 475 7.384 -3.727 -0.515 1.00 0.00 N ATOM 1419 NH2 ARG B 475 8.424 -1.737 -0.058 1.00 0.00 N ATOM 0 H ARG B 475 2.780 -0.731 -2.449 1.00 0.00 H new ATOM 0 HA ARG B 475 5.065 0.421 -3.655 1.00 0.00 H new ATOM 0 HB2 ARG B 475 5.062 -1.650 -2.313 1.00 0.00 H new ATOM 0 HB3 ARG B 475 4.069 -2.448 -3.517 1.00 0.00 H new ATOM 0 HG2 ARG B 475 5.818 -2.730 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG B 475 6.632 -1.262 -4.486 1.00 0.00 H new ATOM 0 HD2 ARG B 475 6.431 -3.762 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG B 475 7.795 -3.403 -3.803 1.00 0.00 H new ATOM 0 HE ARG B 475 7.842 -1.161 -2.395 1.00 0.00 H new ATOM 0 HH11 ARG B 475 6.887 -4.337 -1.165 1.00 0.00 H new ATOM 0 HH12 ARG B 475 7.557 -4.035 0.442 1.00 0.00 H new ATOM 0 HH21 ARG B 475 8.731 -0.810 -0.353 1.00 0.00 H new ATOM 0 HH22 ARG B 475 8.594 -2.051 0.897 1.00 0.00 H new ATOM 1433 N TYR B 476 2.826 -0.786 -5.718 1.00 0.00 N ATOM 1434 CA TYR B 476 2.424 -0.739 -7.116 1.00 0.00 C ATOM 1435 C TYR B 476 2.481 0.698 -7.620 1.00 0.00 C ATOM 1436 O TYR B 476 2.975 0.972 -8.715 1.00 0.00 O ATOM 1437 CB TYR B 476 1.011 -1.311 -7.289 1.00 0.00 C ATOM 1438 CG TYR B 476 0.164 -0.542 -8.283 1.00 0.00 C ATOM 1439 CD1 TYR B 476 -0.765 0.386 -7.842 1.00 0.00 C ATOM 1440 CD2 TYR B 476 0.314 -0.721 -9.655 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -1.521 1.121 -8.732 1.00 0.00 C ATOM 1442 CE2 TYR B 476 -0.442 0.007 -10.554 1.00 0.00 C ATOM 1443 CZ TYR B 476 -1.357 0.929 -10.085 1.00 0.00 C ATOM 1444 OH TYR B 476 -2.110 1.663 -10.973 1.00 0.00 O ATOM 0 H TYR B 476 2.126 -1.176 -5.087 1.00 0.00 H new ATOM 0 HA TYR B 476 3.112 -1.348 -7.702 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.085 -2.349 -7.614 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.508 -1.315 -6.322 1.00 0.00 H new ATOM 0 HD1 TYR B 476 -0.900 0.537 -6.781 1.00 0.00 H new ATOM 0 HD2 TYR B 476 1.032 -1.439 -10.023 1.00 0.00 H new ATOM 0 HE1 TYR B 476 -2.237 1.843 -8.369 1.00 0.00 H new ATOM 0 HE2 TYR B 476 -0.318 -0.144 -11.616 1.00 0.00 H new ATOM 0 HH TYR B 476 -2.840 1.108 -11.320 1.00 0.00 H new ATOM 1454 N ILE B 477 1.981 1.610 -6.801 1.00 0.00 N ATOM 1455 CA ILE B 477 1.967 3.017 -7.143 1.00 0.00 C ATOM 1456 C ILE B 477 3.384 3.551 -7.224 1.00 0.00 C ATOM 1457 O ILE B 477 3.789 4.097 -8.244 1.00 0.00 O ATOM 1458 CB ILE B 477 1.167 3.832 -6.114 1.00 0.00 C ATOM 1459 CG1 ILE B 477 -0.279 3.341 -6.073 1.00 0.00 C ATOM 1460 CG2 ILE B 477 1.224 5.314 -6.453 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -1.056 3.834 -4.878 1.00 0.00 C ATOM 0 H ILE B 477 1.578 1.395 -5.889 1.00 0.00 H new ATOM 0 HA ILE B 477 1.484 3.119 -8.115 1.00 0.00 H new ATOM 0 HB ILE B 477 1.610 3.692 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.787 3.661 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE B 477 -0.283 2.251 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.653 5.878 -5.716 1.00 0.00 H new ATOM 0 HG22 ILE B 477 2.261 5.650 -6.443 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.799 5.477 -7.443 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -2.073 3.444 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.572 3.492 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -1.085 4.924 -4.887 1.00 0.00 H new ATOM 1473 N ILE B 478 4.146 3.346 -6.157 1.00 0.00 N ATOM 1474 CA ILE B 478 5.522 3.824 -6.090 1.00 0.00 C ATOM 1475 C ILE B 478 6.325 3.320 -7.280 1.00 0.00 C ATOM 1476 O ILE B 478 7.236 3.997 -7.753 1.00 0.00 O ATOM 1477 CB ILE B 478 6.243 3.337 -4.822 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.387 3.502 -3.578 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.546 4.087 -4.644 1.00 0.00 C ATOM 1480 CD1 ILE B 478 5.242 4.922 -3.083 1.00 0.00 C ATOM 0 H ILE B 478 3.833 2.850 -5.323 1.00 0.00 H new ATOM 0 HA ILE B 478 5.463 4.912 -6.086 1.00 0.00 H new ATOM 0 HB ILE B 478 6.441 2.273 -4.951 1.00 0.00 H new ATOM 0 HG12 ILE B 478 4.394 3.102 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE B 478 5.815 2.897 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE B 478 8.049 3.735 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE B 478 8.187 3.913 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.342 5.154 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE B 478 4.614 4.934 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE B 478 6.225 5.325 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE B 478 4.782 5.533 -3.860 1.00 0.00 H new ATOM 1492 N LYS B 479 5.966 2.131 -7.757 1.00 0.00 N ATOM 1493 CA LYS B 479 6.708 1.458 -8.814 1.00 0.00 C ATOM 1494 C LYS B 479 6.851 2.339 -10.048 1.00 0.00 C ATOM 1495 O LYS B 479 7.908 2.364 -10.679 1.00 0.00 O ATOM 1496 CB LYS B 479 6.033 0.136 -9.189 1.00 0.00 C ATOM 1497 CG LYS B 479 6.934 -0.799 -9.978 1.00 0.00 C ATOM 1498 CD LYS B 479 8.135 -1.227 -9.150 1.00 0.00 C ATOM 1499 CE LYS B 479 9.116 -2.055 -9.958 1.00 0.00 C ATOM 1500 NZ LYS B 479 10.311 -2.426 -9.156 1.00 0.00 N ATOM 0 H LYS B 479 5.155 1.610 -7.422 1.00 0.00 H new ATOM 0 HA LYS B 479 7.707 1.251 -8.430 1.00 0.00 H new ATOM 0 HB2 LYS B 479 5.707 -0.368 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS B 479 5.138 0.347 -9.775 1.00 0.00 H new ATOM 0 HG2 LYS B 479 6.369 -1.678 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS B 479 7.273 -0.302 -10.887 1.00 0.00 H new ATOM 0 HD2 LYS B 479 8.641 -0.343 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS B 479 7.795 -1.804 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS B 479 8.622 -2.959 -10.315 1.00 0.00 H new ATOM 0 HE3 LYS B 479 9.428 -1.493 -10.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 10.959 -2.991 -9.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 10.796 -1.563 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 10.015 -2.983 -8.329 1.00 0.00 H new ATOM 1514 N LYS B 480 5.798 3.067 -10.391 1.00 0.00 N ATOM 1515 CA LYS B 480 5.861 3.959 -11.536 1.00 0.00 C ATOM 1516 C LYS B 480 5.767 5.418 -11.099 1.00 0.00 C ATOM 1517 O LYS B 480 5.978 6.330 -11.902 1.00 0.00 O ATOM 1518 CB LYS B 480 4.783 3.616 -12.588 1.00 0.00 C ATOM 1519 CG LYS B 480 3.349 4.013 -12.241 1.00 0.00 C ATOM 1520 CD LYS B 480 2.780 3.222 -11.077 1.00 0.00 C ATOM 1521 CE LYS B 480 1.274 3.421 -10.953 1.00 0.00 C ATOM 1522 NZ LYS B 480 0.896 4.860 -10.921 1.00 0.00 N ATOM 0 H LYS B 480 4.904 3.058 -9.901 1.00 0.00 H new ATOM 0 HA LYS B 480 6.831 3.814 -12.011 1.00 0.00 H new ATOM 0 HB2 LYS B 480 5.054 4.100 -13.526 1.00 0.00 H new ATOM 0 HB3 LYS B 480 4.807 2.541 -12.765 1.00 0.00 H new ATOM 0 HG2 LYS B 480 3.320 5.076 -12.000 1.00 0.00 H new ATOM 0 HG3 LYS B 480 2.716 3.868 -13.116 1.00 0.00 H new ATOM 0 HD2 LYS B 480 2.999 2.163 -11.213 1.00 0.00 H new ATOM 0 HD3 LYS B 480 3.267 3.531 -10.152 1.00 0.00 H new ATOM 0 HE2 LYS B 480 0.775 2.935 -11.791 1.00 0.00 H new ATOM 0 HE3 LYS B 480 0.919 2.934 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 -0.095 4.952 -10.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 1.511 5.366 -10.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 1.007 5.269 -11.871 1.00 0.00 H new