USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 501 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 123 MET CE :methyl 151:sc= -0.356 (180deg=-1.32!) USER MOD Set 1.2: A 135 CYS SG : rot 69:sc= 0.0432 USER MOD Set 2.1: A 102 MET CE :methyl -178:sc= -3.36 (180deg=-1.18) USER MOD Set 2.2: A 118 GLN : amide:sc= -3.89 K(o=-7.2,f=-8.2!) USER MOD Single : A 89 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.63) USER MOD Single : A 92 THR OG1 : rot 89:sc= 1.29 USER MOD Single : A 94 SER OG : rot 83:sc= 0.926 USER MOD Single : A 97 MET CE :methyl 167:sc= -0.0073 (180deg=-0.227) USER MOD Single : A 107 ASN : amide:sc= -0.38 K(o=-0.38,f=-2!) USER MOD Single : A 108 THR OG1 : rot -47:sc= 0.425 USER MOD Single : A 109 SER OG : rot -93:sc= 0.244 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 33:sc= 0.184 USER MOD Single : A 112 ASN : amide:sc= 0.301 K(o=0.3,f=-4.9!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS :FLIP no HE2:sc= -0.0829 F(o=-0.8,f=-0.083) USER MOD Single : A 120 SER OG : rot -41:sc= 1.27 USER MOD Single : A 121 SER OG : rot 78:sc= 0.0453 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 144:sc= -1.35 (180deg=-4.01!) USER MOD Single : A 136 THR OG1 : rot 85:sc= 0.501 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc=-0.00434 K(o=-0.0043,f=-0.71) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 10.421 -0.232 10.932 1.00 0.00 N ATOM 109 CA TRP A 87 9.893 -0.559 9.612 1.00 0.00 C ATOM 110 C TRP A 87 10.815 -0.042 8.514 1.00 0.00 C ATOM 111 O TRP A 87 11.326 1.075 8.593 1.00 0.00 O ATOM 112 CB TRP A 87 8.493 0.031 9.440 1.00 0.00 C ATOM 113 CG TRP A 87 7.405 -0.858 9.961 1.00 0.00 C ATOM 114 CD1 TRP A 87 7.053 -1.043 11.268 1.00 0.00 C ATOM 115 CD2 TRP A 87 6.528 -1.684 9.187 1.00 0.00 C ATOM 116 NE1 TRP A 87 6.011 -1.935 11.352 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.670 -2.341 10.090 1.00 0.00 C ATOM 118 CE3 TRP A 87 6.383 -1.930 7.819 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.684 -3.229 9.667 1.00 0.00 C ATOM 120 CZ3 TRP A 87 5.404 -2.811 7.401 1.00 0.00 C ATOM 121 CH2 TRP A 87 4.564 -3.451 8.322 1.00 0.00 C ATOM 0 HA TRP A 87 9.834 -1.644 9.530 1.00 0.00 H new ATOM 0 HB2 TRP A 87 8.445 0.991 9.954 1.00 0.00 H new ATOM 0 HB3 TRP A 87 8.317 0.227 8.382 1.00 0.00 H new ATOM 0 HD1 TRP A 87 7.524 -0.559 12.111 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.564 -2.244 12.215 1.00 0.00 H new ATOM 0 HE3 TRP A 87 7.025 -1.440 7.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 4.037 -3.725 10.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 5.284 -3.010 6.346 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.807 -4.133 7.963 1.00 0.00 H new ATOM 132 N VAL A 88 11.024 -0.862 7.488 1.00 0.00 N ATOM 133 CA VAL A 88 11.884 -0.486 6.372 1.00 0.00 C ATOM 134 C VAL A 88 11.081 0.176 5.258 1.00 0.00 C ATOM 135 O VAL A 88 9.851 0.122 5.250 1.00 0.00 O ATOM 136 CB VAL A 88 12.626 -1.708 5.799 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.690 -2.191 6.773 1.00 0.00 C ATOM 138 CG2 VAL A 88 11.644 -2.822 5.473 1.00 0.00 C ATOM 0 H VAL A 88 10.610 -1.790 7.407 1.00 0.00 H new ATOM 0 HA VAL A 88 12.614 0.224 6.760 1.00 0.00 H new ATOM 0 HB VAL A 88 13.122 -1.411 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.204 -3.055 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.410 -1.392 6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.220 -2.473 7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.185 -3.678 5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.118 -3.120 6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.924 -2.468 4.736 1.00 0.00 H new ATOM 148 N GLN A 89 11.785 0.799 4.318 1.00 0.00 N ATOM 149 CA GLN A 89 11.137 1.471 3.198 1.00 0.00 C ATOM 150 C GLN A 89 10.471 0.462 2.268 1.00 0.00 C ATOM 151 O GLN A 89 9.521 0.791 1.558 1.00 0.00 O ATOM 152 CB GLN A 89 12.154 2.307 2.420 1.00 0.00 C ATOM 153 CG GLN A 89 11.543 3.506 1.713 1.00 0.00 C ATOM 154 CD GLN A 89 10.826 4.442 2.667 1.00 0.00 C ATOM 155 OE1 GLN A 89 11.239 4.615 3.814 1.00 0.00 O ATOM 156 NE2 GLN A 89 9.745 5.052 2.196 1.00 0.00 N ATOM 0 H GLN A 89 12.804 0.852 4.310 1.00 0.00 H new ATOM 0 HA GLN A 89 10.367 2.130 3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.926 2.655 3.106 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.645 1.672 1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.328 4.055 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.841 3.158 0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.438 4.879 1.239 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.221 5.693 2.791 1.00 0.00 H new ATOM 165 N ASP A 90 10.977 -0.766 2.278 1.00 0.00 N ATOM 166 CA ASP A 90 10.431 -1.824 1.436 1.00 0.00 C ATOM 167 C ASP A 90 9.069 -2.280 1.951 1.00 0.00 C ATOM 168 O ASP A 90 8.087 -2.290 1.209 1.00 0.00 O ATOM 169 CB ASP A 90 11.393 -3.012 1.384 1.00 0.00 C ATOM 170 CG ASP A 90 12.701 -2.667 0.700 1.00 0.00 C ATOM 171 OD1 ASP A 90 13.100 -1.485 0.745 1.00 0.00 O ATOM 172 OD2 ASP A 90 13.326 -3.580 0.119 1.00 0.00 O ATOM 0 H ASP A 90 11.764 -1.053 2.860 1.00 0.00 H new ATOM 0 HA ASP A 90 10.305 -1.424 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.596 -3.356 2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.917 -3.839 0.856 1.00 0.00 H new ATOM 177 N GLU A 91 9.018 -2.657 3.225 1.00 0.00 N ATOM 178 CA GLU A 91 7.777 -3.115 3.836 1.00 0.00 C ATOM 179 C GLU A 91 6.720 -2.014 3.813 1.00 0.00 C ATOM 180 O GLU A 91 5.546 -2.270 3.545 1.00 0.00 O ATOM 181 CB GLU A 91 8.028 -3.566 5.277 1.00 0.00 C ATOM 182 CG GLU A 91 8.849 -4.840 5.382 1.00 0.00 C ATOM 183 CD GLU A 91 8.953 -5.351 6.805 1.00 0.00 C ATOM 184 OE1 GLU A 91 7.904 -5.462 7.473 1.00 0.00 O ATOM 185 OE2 GLU A 91 10.083 -5.640 7.251 1.00 0.00 O ATOM 0 H GLU A 91 9.822 -2.654 3.853 1.00 0.00 H new ATOM 0 HA GLU A 91 7.408 -3.961 3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.541 -2.768 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.070 -3.720 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.399 -5.610 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.850 -4.656 4.992 1.00 0.00 H new ATOM 192 N THR A 92 7.146 -0.787 4.098 1.00 0.00 N ATOM 193 CA THR A 92 6.238 0.353 4.111 1.00 0.00 C ATOM 194 C THR A 92 5.622 0.582 2.736 1.00 0.00 C ATOM 195 O THR A 92 4.400 0.626 2.592 1.00 0.00 O ATOM 196 CB THR A 92 6.957 1.639 4.560 1.00 0.00 C ATOM 197 OG1 THR A 92 7.585 1.431 5.830 1.00 0.00 O ATOM 198 CG2 THR A 92 5.980 2.801 4.655 1.00 0.00 C ATOM 0 H THR A 92 8.114 -0.558 4.323 1.00 0.00 H new ATOM 0 HA THR A 92 5.448 0.119 4.825 1.00 0.00 H new ATOM 0 HB THR A 92 7.715 1.884 3.816 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.491 1.082 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.511 3.698 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.526 2.976 3.679 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.201 2.563 5.380 1.00 0.00 H new ATOM 206 N ARG A 93 6.475 0.726 1.727 1.00 0.00 N ATOM 207 CA ARG A 93 6.014 0.951 0.363 1.00 0.00 C ATOM 208 C ARG A 93 5.151 -0.212 -0.118 1.00 0.00 C ATOM 209 O ARG A 93 4.025 -0.014 -0.575 1.00 0.00 O ATOM 210 CB ARG A 93 7.207 1.137 -0.577 1.00 0.00 C ATOM 211 CG ARG A 93 6.817 1.238 -2.043 1.00 0.00 C ATOM 212 CD ARG A 93 6.044 2.516 -2.328 1.00 0.00 C ATOM 213 NE ARG A 93 6.839 3.709 -2.049 1.00 0.00 N ATOM 214 CZ ARG A 93 6.556 4.911 -2.538 1.00 0.00 C ATOM 215 NH1 ARG A 93 5.503 5.079 -3.327 1.00 0.00 N ATOM 216 NH2 ARG A 93 7.327 5.949 -2.239 1.00 0.00 N ATOM 0 H ARG A 93 7.489 0.691 1.829 1.00 0.00 H new ATOM 0 HA ARG A 93 5.409 1.858 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.747 2.039 -0.290 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.894 0.300 -0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.714 1.208 -2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.210 0.376 -2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.730 2.525 -3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.138 2.534 -1.723 1.00 0.00 H new ATOM 0 HE ARG A 93 7.656 3.614 -1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.908 4.284 -3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.288 6.003 -3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.138 5.824 -1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.109 6.872 -2.615 1.00 0.00 H new ATOM 230 N SER A 94 5.686 -1.423 -0.012 1.00 0.00 N ATOM 231 CA SER A 94 4.967 -2.617 -0.440 1.00 0.00 C ATOM 232 C SER A 94 3.600 -2.699 0.233 1.00 0.00 C ATOM 233 O SER A 94 2.567 -2.740 -0.436 1.00 0.00 O ATOM 234 CB SER A 94 5.782 -3.872 -0.119 1.00 0.00 C ATOM 235 OG SER A 94 7.026 -3.859 -0.797 1.00 0.00 O ATOM 0 H SER A 94 6.616 -1.604 0.367 1.00 0.00 H new ATOM 0 HA SER A 94 4.819 -2.554 -1.518 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.951 -3.935 0.956 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.217 -4.759 -0.405 1.00 0.00 H new ATOM 0 HG SER A 94 7.672 -3.329 -0.285 1.00 0.00 H new ATOM 241 N LEU A 95 3.603 -2.721 1.561 1.00 0.00 N ATOM 242 CA LEU A 95 2.364 -2.797 2.327 1.00 0.00 C ATOM 243 C LEU A 95 1.278 -1.933 1.694 1.00 0.00 C ATOM 244 O LEU A 95 0.212 -2.429 1.327 1.00 0.00 O ATOM 245 CB LEU A 95 2.606 -2.355 3.772 1.00 0.00 C ATOM 246 CG LEU A 95 1.363 -2.235 4.654 1.00 0.00 C ATOM 247 CD1 LEU A 95 0.797 -3.611 4.968 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.690 -1.485 5.937 1.00 0.00 C ATOM 0 H LEU A 95 4.449 -2.687 2.130 1.00 0.00 H new ATOM 0 HA LEU A 95 2.026 -3.833 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.291 -3.064 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.110 -1.389 3.756 1.00 0.00 H new ATOM 0 HG LEU A 95 0.607 -1.670 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.087 -3.506 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.525 -4.113 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.547 -4.202 5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.794 -1.409 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.463 -2.023 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.048 -0.485 5.693 1.00 0.00 H new ATOM 260 N ILE A 96 1.557 -0.640 1.568 1.00 0.00 N ATOM 261 CA ILE A 96 0.605 0.292 0.976 1.00 0.00 C ATOM 262 C ILE A 96 0.160 -0.180 -0.405 1.00 0.00 C ATOM 263 O ILE A 96 -1.033 -0.217 -0.704 1.00 0.00 O ATOM 264 CB ILE A 96 1.203 1.706 0.855 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.584 2.242 2.236 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.217 2.641 0.171 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.457 3.477 2.186 1.00 0.00 C ATOM 0 H ILE A 96 2.434 -0.214 1.868 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.258 0.327 1.641 1.00 0.00 H new ATOM 0 HB ILE A 96 2.105 1.652 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.675 2.472 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.105 1.461 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.654 3.637 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.009 2.265 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.701 2.693 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.688 3.801 3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.383 3.247 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.930 4.274 1.662 1.00 0.00 H new ATOM 279 N MET A 97 1.128 -0.541 -1.241 1.00 0.00 N ATOM 280 CA MET A 97 0.835 -1.013 -2.589 1.00 0.00 C ATOM 281 C MET A 97 -0.212 -2.122 -2.561 1.00 0.00 C ATOM 282 O MET A 97 -1.333 -1.943 -3.039 1.00 0.00 O ATOM 283 CB MET A 97 2.112 -1.519 -3.264 1.00 0.00 C ATOM 284 CG MET A 97 3.064 -0.407 -3.674 1.00 0.00 C ATOM 285 SD MET A 97 4.639 -1.032 -4.288 1.00 0.00 S ATOM 286 CE MET A 97 4.119 -1.826 -5.807 1.00 0.00 C ATOM 0 H MET A 97 2.121 -0.516 -1.009 1.00 0.00 H new ATOM 0 HA MET A 97 0.437 -0.175 -3.162 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.629 -2.196 -2.584 1.00 0.00 H new ATOM 0 HB3 MET A 97 1.842 -2.099 -4.147 1.00 0.00 H new ATOM 0 HG2 MET A 97 2.594 0.202 -4.446 1.00 0.00 H new ATOM 0 HG3 MET A 97 3.245 0.245 -2.819 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.994 -2.058 -6.414 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.586 -2.747 -5.572 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.460 -1.157 -6.360 1.00 0.00 H new ATOM 296 N PHE A 98 0.160 -3.267 -2.000 1.00 0.00 N ATOM 297 CA PHE A 98 -0.748 -4.405 -1.911 1.00 0.00 C ATOM 298 C PHE A 98 -2.172 -3.944 -1.615 1.00 0.00 C ATOM 299 O PHE A 98 -3.116 -4.326 -2.307 1.00 0.00 O ATOM 300 CB PHE A 98 -0.278 -5.376 -0.825 1.00 0.00 C ATOM 301 CG PHE A 98 1.096 -5.931 -1.070 1.00 0.00 C ATOM 302 CD1 PHE A 98 1.400 -6.559 -2.268 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.084 -5.824 -0.104 1.00 0.00 C ATOM 304 CE1 PHE A 98 2.664 -7.071 -2.495 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.349 -6.333 -0.327 1.00 0.00 C ATOM 306 CZ PHE A 98 3.639 -6.957 -1.525 1.00 0.00 C ATOM 0 H PHE A 98 1.084 -3.432 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.744 -4.917 -2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.288 -4.864 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.987 -6.201 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.642 -6.649 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.863 -5.337 0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.888 -7.560 -3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.110 -6.243 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.627 -7.355 -1.702 1.00 0.00 H new ATOM 316 N ARG A 99 -2.318 -3.120 -0.582 1.00 0.00 N ATOM 317 CA ARG A 99 -3.626 -2.608 -0.193 1.00 0.00 C ATOM 318 C ARG A 99 -4.318 -1.933 -1.373 1.00 0.00 C ATOM 319 O ARG A 99 -5.386 -2.364 -1.808 1.00 0.00 O ATOM 320 CB ARG A 99 -3.485 -1.617 0.964 1.00 0.00 C ATOM 321 CG ARG A 99 -3.049 -2.263 2.269 1.00 0.00 C ATOM 322 CD ARG A 99 -4.154 -3.123 2.862 1.00 0.00 C ATOM 323 NE ARG A 99 -5.067 -2.343 3.694 1.00 0.00 N ATOM 324 CZ ARG A 99 -6.154 -1.740 3.227 1.00 0.00 C ATOM 325 NH1 ARG A 99 -6.463 -1.827 1.940 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.936 -1.049 4.047 1.00 0.00 N ATOM 0 H ARG A 99 -1.547 -2.793 -0.000 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.237 -3.450 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.761 -0.850 0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.439 -1.114 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.164 -2.875 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -2.766 -1.489 2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.714 -3.599 2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.712 -3.921 3.459 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.858 -2.257 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.865 -2.358 1.307 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.299 -1.363 1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.702 -0.981 5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.771 -0.586 3.687 1.00 0.00 H new ATOM 340 N ARG A 100 -3.704 -0.872 -1.886 1.00 0.00 N ATOM 341 CA ARG A 100 -4.262 -0.136 -3.014 1.00 0.00 C ATOM 342 C ARG A 100 -4.869 -1.091 -4.038 1.00 0.00 C ATOM 343 O ARG A 100 -5.914 -0.808 -4.622 1.00 0.00 O ATOM 344 CB ARG A 100 -3.181 0.720 -3.677 1.00 0.00 C ATOM 345 CG ARG A 100 -2.663 1.841 -2.790 1.00 0.00 C ATOM 346 CD ARG A 100 -1.510 2.583 -3.447 1.00 0.00 C ATOM 347 NE ARG A 100 -1.973 3.523 -4.465 1.00 0.00 N ATOM 348 CZ ARG A 100 -2.220 3.179 -5.724 1.00 0.00 C ATOM 349 NH1 ARG A 100 -2.051 1.924 -6.118 1.00 0.00 N ATOM 350 NH2 ARG A 100 -2.639 4.092 -6.592 1.00 0.00 N ATOM 0 H ARG A 100 -2.819 -0.503 -1.538 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.051 0.515 -2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.347 0.079 -3.963 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.582 1.150 -4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.472 2.540 -2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.335 1.429 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.945 3.122 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.828 1.864 -3.901 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.114 4.496 -4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.730 1.220 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.242 1.663 -7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.771 5.058 -6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.829 3.828 -7.559 1.00 0.00 H new ATOM 364 N GLY A 101 -4.205 -2.223 -4.251 1.00 0.00 N ATOM 365 CA GLY A 101 -4.694 -3.201 -5.205 1.00 0.00 C ATOM 366 C GLY A 101 -6.008 -3.822 -4.777 1.00 0.00 C ATOM 367 O GLY A 101 -6.936 -3.940 -5.576 1.00 0.00 O ATOM 0 H GLY A 101 -3.338 -2.480 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.821 -2.724 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.948 -3.986 -5.330 1.00 0.00 H new ATOM 371 N MET A 102 -6.087 -4.222 -3.512 1.00 0.00 N ATOM 372 CA MET A 102 -7.298 -4.835 -2.979 1.00 0.00 C ATOM 373 C MET A 102 -8.154 -3.805 -2.250 1.00 0.00 C ATOM 374 O MET A 102 -9.016 -4.157 -1.445 1.00 0.00 O ATOM 375 CB MET A 102 -6.940 -5.981 -2.030 1.00 0.00 C ATOM 376 CG MET A 102 -6.589 -7.275 -2.746 1.00 0.00 C ATOM 377 SD MET A 102 -5.578 -8.375 -1.736 1.00 0.00 S ATOM 378 CE MET A 102 -6.440 -8.282 -0.169 1.00 0.00 C ATOM 0 H MET A 102 -5.327 -4.133 -2.837 1.00 0.00 H new ATOM 0 HA MET A 102 -7.873 -5.231 -3.816 1.00 0.00 H new ATOM 0 HB2 MET A 102 -6.096 -5.678 -1.410 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.780 -6.163 -1.359 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.507 -7.790 -3.029 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.056 -7.043 -3.668 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.913 -8.883 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.477 -7.245 0.165 1.00 0.00 H new ATOM 0 HE3 MET A 102 -7.455 -8.661 -0.289 1.00 0.00 H new ATOM 388 N ASP A 103 -7.910 -2.531 -2.536 1.00 0.00 N ATOM 389 CA ASP A 103 -8.659 -1.449 -1.908 1.00 0.00 C ATOM 390 C ASP A 103 -10.161 -1.661 -2.072 1.00 0.00 C ATOM 391 O ASP A 103 -10.932 -1.467 -1.134 1.00 0.00 O ATOM 392 CB ASP A 103 -8.253 -0.102 -2.509 1.00 0.00 C ATOM 393 CG ASP A 103 -9.243 0.999 -2.184 1.00 0.00 C ATOM 394 OD1 ASP A 103 -10.375 0.955 -2.710 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.885 1.906 -1.403 1.00 0.00 O ATOM 0 H ASP A 103 -7.199 -2.222 -3.199 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.424 -1.448 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.268 0.177 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.167 -0.201 -3.591 1.00 0.00 H new ATOM 400 N GLY A 104 -10.570 -2.060 -3.273 1.00 0.00 N ATOM 401 CA GLY A 104 -11.978 -2.290 -3.539 1.00 0.00 C ATOM 402 C GLY A 104 -12.631 -3.162 -2.485 1.00 0.00 C ATOM 403 O GLY A 104 -13.715 -2.847 -1.993 1.00 0.00 O ATOM 0 H GLY A 104 -9.951 -2.228 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.497 -1.333 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.088 -2.761 -4.516 1.00 0.00 H new ATOM 407 N LEU A 105 -11.973 -4.263 -2.139 1.00 0.00 N ATOM 408 CA LEU A 105 -12.498 -5.185 -1.138 1.00 0.00 C ATOM 409 C LEU A 105 -12.680 -4.485 0.205 1.00 0.00 C ATOM 410 O LEU A 105 -13.803 -4.303 0.675 1.00 0.00 O ATOM 411 CB LEU A 105 -11.560 -6.383 -0.978 1.00 0.00 C ATOM 412 CG LEU A 105 -11.438 -7.306 -2.191 1.00 0.00 C ATOM 413 CD1 LEU A 105 -10.185 -8.162 -2.086 1.00 0.00 C ATOM 414 CD2 LEU A 105 -12.675 -8.183 -2.320 1.00 0.00 C ATOM 0 H LEU A 105 -11.075 -4.539 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.472 -5.536 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.566 -6.010 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.901 -6.975 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 105 -11.359 -6.689 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.115 -8.813 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.307 -7.518 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.234 -8.770 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.571 -8.833 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.785 -8.791 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.556 -7.553 -2.442 1.00 0.00 H new ATOM 426 N PHE A 106 -11.568 -4.091 0.816 1.00 0.00 N ATOM 427 CA PHE A 106 -11.604 -3.408 2.105 1.00 0.00 C ATOM 428 C PHE A 106 -12.807 -2.474 2.191 1.00 0.00 C ATOM 429 O PHE A 106 -13.400 -2.304 3.255 1.00 0.00 O ATOM 430 CB PHE A 106 -10.313 -2.617 2.324 1.00 0.00 C ATOM 431 CG PHE A 106 -9.159 -3.467 2.774 1.00 0.00 C ATOM 432 CD1 PHE A 106 -9.000 -3.791 4.111 1.00 0.00 C ATOM 433 CD2 PHE A 106 -8.233 -3.941 1.859 1.00 0.00 C ATOM 434 CE1 PHE A 106 -7.939 -4.573 4.529 1.00 0.00 C ATOM 435 CE2 PHE A 106 -7.170 -4.723 2.270 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.023 -5.039 3.607 1.00 0.00 C ATOM 0 H PHE A 106 -10.631 -4.233 0.440 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.695 -4.163 2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.043 -2.113 1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.494 -1.840 3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -9.714 -3.428 4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.343 -3.697 0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.827 -4.819 5.575 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.455 -5.087 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.193 -5.650 3.930 1.00 0.00 H new ATOM 446 N ASN A 107 -13.161 -1.868 1.062 1.00 0.00 N ATOM 447 CA ASN A 107 -14.292 -0.950 1.009 1.00 0.00 C ATOM 448 C ASN A 107 -15.611 -1.714 0.939 1.00 0.00 C ATOM 449 O ASN A 107 -16.546 -1.431 1.689 1.00 0.00 O ATOM 450 CB ASN A 107 -14.165 -0.019 -0.199 1.00 0.00 C ATOM 451 CG ASN A 107 -15.118 1.158 -0.126 1.00 0.00 C ATOM 452 OD1 ASN A 107 -16.239 1.033 0.369 1.00 0.00 O ATOM 453 ND2 ASN A 107 -14.677 2.308 -0.620 1.00 0.00 N ATOM 0 H ASN A 107 -12.680 -1.997 0.172 1.00 0.00 H new ATOM 0 HA ASN A 107 -14.286 -0.354 1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -13.141 0.350 -0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -14.359 -0.584 -1.111 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -15.274 3.135 -0.599 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -13.741 2.365 -1.021 1.00 0.00 H new ATOM 460 N THR A 108 -15.679 -2.685 0.034 1.00 0.00 N ATOM 461 CA THR A 108 -16.882 -3.490 -0.135 1.00 0.00 C ATOM 462 C THR A 108 -16.623 -4.948 0.224 1.00 0.00 C ATOM 463 O THR A 108 -16.353 -5.774 -0.648 1.00 0.00 O ATOM 464 CB THR A 108 -17.410 -3.415 -1.580 1.00 0.00 C ATOM 465 OG1 THR A 108 -16.362 -3.737 -2.502 1.00 0.00 O ATOM 466 CG2 THR A 108 -17.954 -2.028 -1.886 1.00 0.00 C ATOM 0 H THR A 108 -14.914 -2.933 -0.594 1.00 0.00 H new ATOM 0 HA THR A 108 -17.633 -3.080 0.540 1.00 0.00 H new ATOM 0 HB THR A 108 -18.220 -4.137 -1.685 1.00 0.00 H new ATOM 0 HG1 THR A 108 -15.552 -3.241 -2.262 1.00 0.00 H new ATOM 0 HG21 THR A 108 -18.321 -1.999 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 108 -18.771 -1.798 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 108 -17.160 -1.291 -1.764 1.00 0.00 H new ATOM 474 N SER A 109 -16.706 -5.259 1.514 1.00 0.00 N ATOM 475 CA SER A 109 -16.477 -6.619 1.989 1.00 0.00 C ATOM 476 C SER A 109 -17.151 -6.843 3.339 1.00 0.00 C ATOM 477 O SER A 109 -17.619 -5.900 3.978 1.00 0.00 O ATOM 478 CB SER A 109 -14.977 -6.896 2.103 1.00 0.00 C ATOM 479 OG SER A 109 -14.368 -6.025 3.041 1.00 0.00 O ATOM 0 H SER A 109 -16.930 -4.588 2.249 1.00 0.00 H new ATOM 0 HA SER A 109 -16.913 -7.309 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.817 -7.931 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.506 -6.772 1.128 1.00 0.00 H new ATOM 0 HG SER A 109 -14.015 -5.238 2.576 1.00 0.00 H new ATOM 485 N LYS A 110 -17.198 -8.100 3.768 1.00 0.00 N ATOM 486 CA LYS A 110 -17.814 -8.452 5.042 1.00 0.00 C ATOM 487 C LYS A 110 -16.768 -8.527 6.149 1.00 0.00 C ATOM 488 O LYS A 110 -16.998 -8.065 7.267 1.00 0.00 O ATOM 489 CB LYS A 110 -18.546 -9.790 4.926 1.00 0.00 C ATOM 490 CG LYS A 110 -19.752 -9.746 4.003 1.00 0.00 C ATOM 491 CD LYS A 110 -20.255 -11.142 3.675 1.00 0.00 C ATOM 492 CE LYS A 110 -19.381 -11.818 2.630 1.00 0.00 C ATOM 493 NZ LYS A 110 -20.000 -13.072 2.117 1.00 0.00 N ATOM 0 H LYS A 110 -16.816 -8.892 3.251 1.00 0.00 H new ATOM 0 HA LYS A 110 -18.533 -7.673 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -17.849 -10.546 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.870 -10.105 5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -20.550 -9.172 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -19.487 -9.228 3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -20.273 -11.746 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -21.281 -11.084 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -19.210 -11.132 1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -18.407 -12.044 3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.374 -13.503 1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -20.140 -13.737 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -20.918 -12.853 1.681 1.00 0.00 H new ATOM 507 N SER A 111 -15.617 -9.111 5.832 1.00 0.00 N ATOM 508 CA SER A 111 -14.536 -9.249 6.801 1.00 0.00 C ATOM 509 C SER A 111 -13.210 -8.785 6.205 1.00 0.00 C ATOM 510 O SER A 111 -12.809 -9.233 5.132 1.00 0.00 O ATOM 511 CB SER A 111 -14.420 -10.703 7.263 1.00 0.00 C ATOM 512 OG SER A 111 -13.986 -11.541 6.206 1.00 0.00 O ATOM 0 H SER A 111 -15.409 -9.497 4.911 1.00 0.00 H new ATOM 0 HA SER A 111 -14.768 -8.620 7.660 1.00 0.00 H new ATOM 0 HB2 SER A 111 -13.719 -10.769 8.095 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.386 -11.049 7.632 1.00 0.00 H new ATOM 0 HG SER A 111 -13.386 -11.039 5.616 1.00 0.00 H new ATOM 518 N ASN A 112 -12.536 -7.883 6.911 1.00 0.00 N ATOM 519 CA ASN A 112 -11.255 -7.356 6.453 1.00 0.00 C ATOM 520 C ASN A 112 -10.100 -8.202 6.979 1.00 0.00 C ATOM 521 O ASN A 112 -8.949 -8.016 6.583 1.00 0.00 O ATOM 522 CB ASN A 112 -11.086 -5.904 6.904 1.00 0.00 C ATOM 523 CG ASN A 112 -11.800 -5.618 8.211 1.00 0.00 C ATOM 524 OD1 ASN A 112 -11.945 -6.500 9.058 1.00 0.00 O ATOM 525 ND2 ASN A 112 -12.251 -4.381 8.381 1.00 0.00 N ATOM 0 H ASN A 112 -12.855 -7.502 7.802 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.243 -7.394 5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -10.025 -5.683 7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.470 -5.239 6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.740 -4.130 9.240 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -12.109 -3.682 7.652 1.00 0.00 H new ATOM 532 N LYS A 113 -10.414 -9.132 7.874 1.00 0.00 N ATOM 533 CA LYS A 113 -9.404 -10.009 8.455 1.00 0.00 C ATOM 534 C LYS A 113 -8.739 -10.861 7.378 1.00 0.00 C ATOM 535 O LYS A 113 -7.514 -10.981 7.337 1.00 0.00 O ATOM 536 CB LYS A 113 -10.034 -10.912 9.518 1.00 0.00 C ATOM 537 CG LYS A 113 -10.088 -10.280 10.898 1.00 0.00 C ATOM 538 CD LYS A 113 -11.295 -9.369 11.047 1.00 0.00 C ATOM 539 CE LYS A 113 -11.173 -8.478 12.273 1.00 0.00 C ATOM 540 NZ LYS A 113 -11.294 -9.254 13.538 1.00 0.00 N ATOM 0 H LYS A 113 -11.361 -9.298 8.213 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.642 -9.385 8.922 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.046 -11.174 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.468 -11.842 9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -10.126 -11.062 11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.176 -9.709 11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -11.398 -8.751 10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.200 -9.972 11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.212 -7.963 12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.947 -7.711 12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -11.205 -8.610 14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -12.221 -9.725 13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.540 -9.970 13.580 1.00 0.00 H new ATOM 554 N HIS A 114 -9.554 -11.449 6.508 1.00 0.00 N ATOM 555 CA HIS A 114 -9.043 -12.287 5.429 1.00 0.00 C ATOM 556 C HIS A 114 -8.069 -11.509 4.550 1.00 0.00 C ATOM 557 O HIS A 114 -7.055 -12.046 4.103 1.00 0.00 O ATOM 558 CB HIS A 114 -10.198 -12.822 4.580 1.00 0.00 C ATOM 559 CG HIS A 114 -9.785 -13.884 3.609 1.00 0.00 C ATOM 560 ND1 HIS A 114 -8.865 -13.867 2.616 1.00 0.00 N flip ATOM 561 CD2 HIS A 114 -10.341 -15.146 3.593 1.00 0.00 C flip ATOM 562 CE1 HIS A 114 -8.882 -15.106 2.024 1.00 0.00 C flip ATOM 563 NE2 HIS A 114 -9.780 -15.860 2.633 1.00 0.00 N flip ATOM 0 H HIS A 114 -10.570 -11.361 6.529 1.00 0.00 H new ATOM 0 HA HIS A 114 -8.510 -13.126 5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -10.967 -13.224 5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.648 -11.995 4.031 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -8.270 -13.080 2.356 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -11.114 -15.496 4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.262 -15.414 1.195 1.00 0.00 H new ATOM 571 N LEU A 115 -8.383 -10.241 4.306 1.00 0.00 N ATOM 572 CA LEU A 115 -7.535 -9.388 3.480 1.00 0.00 C ATOM 573 C LEU A 115 -6.184 -9.153 4.148 1.00 0.00 C ATOM 574 O LEU A 115 -5.135 -9.405 3.555 1.00 0.00 O ATOM 575 CB LEU A 115 -8.227 -8.050 3.217 1.00 0.00 C ATOM 576 CG LEU A 115 -9.730 -8.113 2.942 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.228 -6.787 2.388 1.00 0.00 C ATOM 578 CD2 LEU A 115 -10.048 -9.249 1.980 1.00 0.00 C ATOM 0 H LEU A 115 -9.218 -9.781 4.668 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.366 -9.895 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.063 -7.403 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.742 -7.574 2.365 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.245 -8.305 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.299 -6.851 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.034 -5.995 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.708 -6.563 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.122 -9.279 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.522 -9.087 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.728 -10.195 2.416 1.00 0.00 H new ATOM 590 N TRP A 116 -6.218 -8.671 5.385 1.00 0.00 N ATOM 591 CA TRP A 116 -4.996 -8.403 6.135 1.00 0.00 C ATOM 592 C TRP A 116 -4.128 -9.654 6.226 1.00 0.00 C ATOM 593 O TRP A 116 -2.907 -9.565 6.349 1.00 0.00 O ATOM 594 CB TRP A 116 -5.334 -7.900 7.539 1.00 0.00 C ATOM 595 CG TRP A 116 -5.692 -6.445 7.578 1.00 0.00 C ATOM 596 CD1 TRP A 116 -6.875 -5.902 7.991 1.00 0.00 C ATOM 597 CD2 TRP A 116 -4.859 -5.347 7.188 1.00 0.00 C ATOM 598 NE1 TRP A 116 -6.829 -4.533 7.880 1.00 0.00 N ATOM 599 CE2 TRP A 116 -5.603 -4.168 7.391 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.558 -5.245 6.688 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.086 -2.906 7.111 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.048 -3.992 6.410 1.00 0.00 C ATOM 603 CH2 TRP A 116 -3.810 -2.835 6.622 1.00 0.00 C ATOM 0 H TRP A 116 -7.078 -8.458 5.890 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.436 -7.632 5.605 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.166 -8.482 7.935 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.481 -8.075 8.195 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -7.723 -6.466 8.352 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -7.585 -3.893 8.122 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.962 -6.130 6.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -5.672 -2.014 7.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.044 -3.902 6.022 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.382 -1.870 6.395 1.00 0.00 H new ATOM 614 N GLU A 117 -4.767 -10.818 6.163 1.00 0.00 N ATOM 615 CA GLU A 117 -4.051 -12.086 6.239 1.00 0.00 C ATOM 616 C GLU A 117 -3.295 -12.363 4.942 1.00 0.00 C ATOM 617 O GLU A 117 -2.080 -12.554 4.950 1.00 0.00 O ATOM 618 CB GLU A 117 -5.026 -13.231 6.527 1.00 0.00 C ATOM 619 CG GLU A 117 -5.434 -13.328 7.988 1.00 0.00 C ATOM 620 CD GLU A 117 -6.287 -14.549 8.274 1.00 0.00 C ATOM 621 OE1 GLU A 117 -7.334 -14.709 7.612 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.910 -15.343 9.161 1.00 0.00 O ATOM 0 H GLU A 117 -5.778 -10.909 6.060 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.329 -12.018 7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.919 -13.099 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.568 -14.172 6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.540 -13.360 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.985 -12.430 8.268 1.00 0.00 H new ATOM 629 N GLN A 118 -4.025 -12.382 3.831 1.00 0.00 N ATOM 630 CA GLN A 118 -3.423 -12.636 2.528 1.00 0.00 C ATOM 631 C GLN A 118 -2.344 -11.604 2.215 1.00 0.00 C ATOM 632 O GLN A 118 -1.267 -11.947 1.728 1.00 0.00 O ATOM 633 CB GLN A 118 -4.494 -12.618 1.436 1.00 0.00 C ATOM 634 CG GLN A 118 -4.756 -11.235 0.863 1.00 0.00 C ATOM 635 CD GLN A 118 -5.737 -11.257 -0.293 1.00 0.00 C ATOM 636 OE1 GLN A 118 -5.340 -11.242 -1.458 1.00 0.00 O ATOM 637 NE2 GLN A 118 -7.026 -11.295 0.025 1.00 0.00 N ATOM 0 H GLN A 118 -5.033 -12.225 3.808 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.959 -13.622 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.189 -13.285 0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -5.424 -13.015 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -5.143 -10.587 1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.814 -10.801 0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.309 -11.306 1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.732 -11.313 -0.711 1.00 0.00 H new ATOM 646 N ILE A 119 -2.642 -10.341 2.499 1.00 0.00 N ATOM 647 CA ILE A 119 -1.697 -9.259 2.248 1.00 0.00 C ATOM 648 C ILE A 119 -0.383 -9.497 2.984 1.00 0.00 C ATOM 649 O ILE A 119 0.691 -9.470 2.382 1.00 0.00 O ATOM 650 CB ILE A 119 -2.274 -7.897 2.678 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.464 -7.521 1.792 1.00 0.00 C ATOM 652 CG2 ILE A 119 -1.199 -6.823 2.614 1.00 0.00 C ATOM 653 CD1 ILE A 119 -4.280 -6.368 2.335 1.00 0.00 C ATOM 0 H ILE A 119 -3.529 -10.041 2.903 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.512 -9.243 1.174 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.622 -7.974 3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -3.099 -7.261 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -4.111 -8.391 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.622 -5.866 2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.379 -7.088 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.824 -6.744 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -5.106 -6.156 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.675 -6.632 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.648 -5.485 2.424 1.00 0.00 H new ATOM 665 N SER A 120 -0.475 -9.730 4.289 1.00 0.00 N ATOM 666 CA SER A 120 0.708 -9.971 5.108 1.00 0.00 C ATOM 667 C SER A 120 1.537 -11.119 4.540 1.00 0.00 C ATOM 668 O SER A 120 2.763 -11.125 4.647 1.00 0.00 O ATOM 669 CB SER A 120 0.301 -10.284 6.549 1.00 0.00 C ATOM 670 OG SER A 120 -0.307 -11.561 6.641 1.00 0.00 O ATOM 0 H SER A 120 -1.356 -9.757 4.802 1.00 0.00 H new ATOM 0 HA SER A 120 1.317 -9.067 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.179 -10.248 7.194 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.390 -9.522 6.909 1.00 0.00 H new ATOM 0 HG SER A 120 -0.902 -11.696 5.874 1.00 0.00 H new ATOM 676 N SER A 121 0.858 -12.089 3.936 1.00 0.00 N ATOM 677 CA SER A 121 1.530 -13.245 3.355 1.00 0.00 C ATOM 678 C SER A 121 2.236 -12.866 2.056 1.00 0.00 C ATOM 679 O SER A 121 3.293 -13.407 1.729 1.00 0.00 O ATOM 680 CB SER A 121 0.525 -14.368 3.094 1.00 0.00 C ATOM 681 OG SER A 121 0.038 -14.909 4.310 1.00 0.00 O ATOM 0 H SER A 121 -0.157 -12.097 3.836 1.00 0.00 H new ATOM 0 HA SER A 121 2.278 -13.595 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.307 -13.985 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.998 -15.154 2.506 1.00 0.00 H new ATOM 0 HG SER A 121 -0.634 -14.306 4.691 1.00 0.00 H new ATOM 687 N LYS A 122 1.643 -11.934 1.318 1.00 0.00 N ATOM 688 CA LYS A 122 2.212 -11.480 0.055 1.00 0.00 C ATOM 689 C LYS A 122 3.410 -10.567 0.295 1.00 0.00 C ATOM 690 O LYS A 122 4.364 -10.562 -0.483 1.00 0.00 O ATOM 691 CB LYS A 122 1.154 -10.745 -0.770 1.00 0.00 C ATOM 692 CG LYS A 122 -0.040 -11.609 -1.137 1.00 0.00 C ATOM 693 CD LYS A 122 0.186 -12.345 -2.447 1.00 0.00 C ATOM 694 CE LYS A 122 -0.981 -13.263 -2.780 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.849 -14.590 -2.117 1.00 0.00 N ATOM 0 H LYS A 122 0.767 -11.478 1.573 1.00 0.00 H new ATOM 0 HA LYS A 122 2.550 -12.356 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.806 -9.878 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.614 -10.369 -1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.227 -12.330 -0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.930 -10.985 -1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.323 -11.623 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.104 -12.930 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -1.914 -12.793 -2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.038 -13.401 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.663 -15.186 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.028 -15.050 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.820 -14.461 -1.085 1.00 0.00 H new ATOM 709 N MET A 123 3.354 -9.797 1.376 1.00 0.00 N ATOM 710 CA MET A 123 4.437 -8.882 1.719 1.00 0.00 C ATOM 711 C MET A 123 5.542 -9.608 2.480 1.00 0.00 C ATOM 712 O MET A 123 6.696 -9.179 2.474 1.00 0.00 O ATOM 713 CB MET A 123 3.903 -7.719 2.558 1.00 0.00 C ATOM 714 CG MET A 123 3.271 -8.155 3.869 1.00 0.00 C ATOM 715 SD MET A 123 4.485 -8.400 5.179 1.00 0.00 S ATOM 716 CE MET A 123 5.159 -6.747 5.330 1.00 0.00 C ATOM 0 H MET A 123 2.571 -9.788 2.030 1.00 0.00 H new ATOM 0 HA MET A 123 4.856 -8.490 0.792 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.720 -7.029 2.770 1.00 0.00 H new ATOM 0 HB3 MET A 123 3.165 -7.169 1.974 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.547 -7.404 4.186 1.00 0.00 H new ATOM 0 HG3 MET A 123 2.720 -9.082 3.711 1.00 0.00 H new ATOM 0 HE1 MET A 123 5.501 -6.586 6.352 1.00 0.00 H new ATOM 0 HE2 MET A 123 5.998 -6.632 4.644 1.00 0.00 H new ATOM 0 HE3 MET A 123 4.388 -6.016 5.086 1.00 0.00 H new ATOM 726 N ARG A 124 5.181 -10.707 3.133 1.00 0.00 N ATOM 727 CA ARG A 124 6.142 -11.491 3.899 1.00 0.00 C ATOM 728 C ARG A 124 6.960 -12.396 2.982 1.00 0.00 C ATOM 729 O ARG A 124 8.165 -12.560 3.171 1.00 0.00 O ATOM 730 CB ARG A 124 5.421 -12.334 4.953 1.00 0.00 C ATOM 731 CG ARG A 124 6.361 -13.096 5.871 1.00 0.00 C ATOM 732 CD ARG A 124 6.752 -14.440 5.277 1.00 0.00 C ATOM 733 NE ARG A 124 7.574 -15.226 6.194 1.00 0.00 N ATOM 734 CZ ARG A 124 8.006 -16.453 5.926 1.00 0.00 C ATOM 735 NH1 ARG A 124 7.696 -17.032 4.774 1.00 0.00 N ATOM 736 NH2 ARG A 124 8.751 -17.103 6.811 1.00 0.00 N ATOM 0 H ARG A 124 4.230 -11.075 3.147 1.00 0.00 H new ATOM 0 HA ARG A 124 6.820 -10.799 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.787 -11.683 5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.763 -13.043 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.257 -12.502 6.050 1.00 0.00 H new ATOM 0 HG3 ARG A 124 5.882 -13.250 6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.852 -15.001 5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 124 7.298 -14.280 4.347 1.00 0.00 H new ATOM 0 HE ARG A 124 7.830 -14.810 7.089 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.124 -16.535 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 124 8.029 -17.974 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 124 8.992 -16.660 7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 124 9.082 -18.045 6.605 1.00 0.00 H new ATOM 750 N GLU A 125 6.296 -12.980 1.989 1.00 0.00 N ATOM 751 CA GLU A 125 6.962 -13.869 1.045 1.00 0.00 C ATOM 752 C GLU A 125 8.140 -13.167 0.376 1.00 0.00 C ATOM 753 O GLU A 125 9.056 -13.815 -0.133 1.00 0.00 O ATOM 754 CB GLU A 125 5.973 -14.353 -0.018 1.00 0.00 C ATOM 755 CG GLU A 125 5.544 -13.268 -0.990 1.00 0.00 C ATOM 756 CD GLU A 125 5.191 -13.817 -2.359 1.00 0.00 C ATOM 757 OE1 GLU A 125 4.792 -14.998 -2.439 1.00 0.00 O ATOM 758 OE2 GLU A 125 5.315 -13.067 -3.350 1.00 0.00 O ATOM 0 H GLU A 125 5.298 -12.853 1.818 1.00 0.00 H new ATOM 0 HA GLU A 125 7.340 -14.729 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.426 -15.172 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 125 5.089 -14.756 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 125 4.683 -12.739 -0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.347 -12.538 -1.091 1.00 0.00 H new ATOM 765 N LYS A 126 8.110 -11.839 0.380 1.00 0.00 N ATOM 766 CA LYS A 126 9.175 -11.047 -0.226 1.00 0.00 C ATOM 767 C LYS A 126 10.482 -11.217 0.541 1.00 0.00 C ATOM 768 O LYS A 126 11.556 -11.293 -0.054 1.00 0.00 O ATOM 769 CB LYS A 126 8.781 -9.569 -0.262 1.00 0.00 C ATOM 770 CG LYS A 126 7.398 -9.322 -0.838 1.00 0.00 C ATOM 771 CD LYS A 126 7.432 -9.238 -2.355 1.00 0.00 C ATOM 772 CE LYS A 126 7.905 -7.872 -2.828 1.00 0.00 C ATOM 773 NZ LYS A 126 8.538 -7.939 -4.174 1.00 0.00 N ATOM 0 H LYS A 126 7.360 -11.288 0.796 1.00 0.00 H new ATOM 0 HA LYS A 126 9.324 -11.402 -1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.821 -9.166 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.515 -9.020 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.727 -10.125 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.993 -8.396 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.094 -10.009 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.437 -9.438 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.059 -7.185 -2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.619 -7.467 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 8.847 -6.988 -4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 9.361 -8.574 -4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.849 -8.302 -4.864 1.00 0.00 H new ATOM 787 N GLY A 127 10.383 -11.278 1.866 1.00 0.00 N ATOM 788 CA GLY A 127 11.565 -11.441 2.691 1.00 0.00 C ATOM 789 C GLY A 127 11.503 -10.615 3.961 1.00 0.00 C ATOM 790 O GLY A 127 12.529 -10.152 4.460 1.00 0.00 O ATOM 0 H GLY A 127 9.505 -11.217 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.681 -12.493 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.447 -11.155 2.118 1.00 0.00 H new ATOM 794 N PHE A 128 10.297 -10.429 4.486 1.00 0.00 N ATOM 795 CA PHE A 128 10.105 -9.651 5.704 1.00 0.00 C ATOM 796 C PHE A 128 9.130 -10.350 6.648 1.00 0.00 C ATOM 797 O PHE A 128 7.921 -10.355 6.418 1.00 0.00 O ATOM 798 CB PHE A 128 9.588 -8.252 5.365 1.00 0.00 C ATOM 799 CG PHE A 128 10.355 -7.580 4.262 1.00 0.00 C ATOM 800 CD1 PHE A 128 9.982 -7.750 2.938 1.00 0.00 C ATOM 801 CD2 PHE A 128 11.449 -6.780 4.548 1.00 0.00 C ATOM 802 CE1 PHE A 128 10.685 -7.134 1.921 1.00 0.00 C ATOM 803 CE2 PHE A 128 12.156 -6.161 3.535 1.00 0.00 C ATOM 804 CZ PHE A 128 11.774 -6.339 2.219 1.00 0.00 C ATOM 0 H PHE A 128 9.438 -10.807 4.087 1.00 0.00 H new ATOM 0 HA PHE A 128 11.069 -9.563 6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.539 -8.321 5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.633 -7.630 6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 128 9.132 -8.371 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 128 11.753 -6.638 5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 128 10.383 -7.274 0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 128 13.006 -5.539 3.772 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.326 -5.857 1.425 1.00 0.00 H new ATOM 814 N ASP A 129 9.666 -10.941 7.710 1.00 0.00 N ATOM 815 CA ASP A 129 8.846 -11.644 8.690 1.00 0.00 C ATOM 816 C ASP A 129 8.195 -10.661 9.658 1.00 0.00 C ATOM 817 O ASP A 129 8.744 -10.363 10.719 1.00 0.00 O ATOM 818 CB ASP A 129 9.692 -12.656 9.464 1.00 0.00 C ATOM 819 CG ASP A 129 8.853 -13.550 10.356 1.00 0.00 C ATOM 820 OD1 ASP A 129 7.955 -14.239 9.829 1.00 0.00 O ATOM 821 OD2 ASP A 129 9.093 -13.558 11.582 1.00 0.00 O ATOM 0 H ASP A 129 10.665 -10.947 7.914 1.00 0.00 H new ATOM 0 HA ASP A 129 8.059 -12.175 8.154 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.251 -13.272 8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.423 -12.124 10.072 1.00 0.00 H new ATOM 826 N ARG A 130 7.022 -10.159 9.285 1.00 0.00 N ATOM 827 CA ARG A 130 6.297 -9.208 10.119 1.00 0.00 C ATOM 828 C ARG A 130 4.935 -9.765 10.521 1.00 0.00 C ATOM 829 O ARG A 130 4.271 -10.439 9.733 1.00 0.00 O ATOM 830 CB ARG A 130 6.119 -7.881 9.379 1.00 0.00 C ATOM 831 CG ARG A 130 5.496 -6.788 10.231 1.00 0.00 C ATOM 832 CD ARG A 130 6.450 -6.315 11.317 1.00 0.00 C ATOM 833 NE ARG A 130 7.349 -5.268 10.838 1.00 0.00 N ATOM 834 CZ ARG A 130 8.528 -5.513 10.276 1.00 0.00 C ATOM 835 NH1 ARG A 130 8.947 -6.761 10.124 1.00 0.00 N ATOM 836 NH2 ARG A 130 9.289 -4.507 9.865 1.00 0.00 N ATOM 0 H ARG A 130 6.554 -10.395 8.410 1.00 0.00 H new ATOM 0 HA ARG A 130 6.881 -9.037 11.023 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.091 -7.541 9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.495 -8.045 8.501 1.00 0.00 H new ATOM 0 HG2 ARG A 130 5.218 -5.946 9.598 1.00 0.00 H new ATOM 0 HG3 ARG A 130 4.579 -7.160 10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 130 5.877 -5.941 12.165 1.00 0.00 H new ATOM 0 HD3 ARG A 130 7.037 -7.160 11.677 1.00 0.00 H new ATOM 0 HE ARG A 130 7.056 -4.296 10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.364 -7.537 10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.852 -6.946 9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 130 8.969 -3.545 9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 130 10.194 -4.695 9.434 1.00 0.00 H new ATOM 850 N SER A 131 4.525 -9.480 11.753 1.00 0.00 N ATOM 851 CA SER A 131 3.244 -9.956 12.261 1.00 0.00 C ATOM 852 C SER A 131 2.088 -9.183 11.633 1.00 0.00 C ATOM 853 O SER A 131 2.250 -8.066 11.141 1.00 0.00 O ATOM 854 CB SER A 131 3.194 -9.821 13.785 1.00 0.00 C ATOM 855 OG SER A 131 3.759 -10.956 14.416 1.00 0.00 O ATOM 0 H SER A 131 5.061 -8.922 12.417 1.00 0.00 H new ATOM 0 HA SER A 131 3.143 -11.007 11.992 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.733 -8.925 14.092 1.00 0.00 H new ATOM 0 HB3 SER A 131 2.160 -9.698 14.109 1.00 0.00 H new ATOM 0 HG SER A 131 3.717 -10.845 15.389 1.00 0.00 H new ATOM 861 N PRO A 132 0.893 -9.791 11.647 1.00 0.00 N ATOM 862 CA PRO A 132 -0.314 -9.179 11.083 1.00 0.00 C ATOM 863 C PRO A 132 -0.799 -7.990 11.905 1.00 0.00 C ATOM 864 O PRO A 132 -1.331 -7.023 11.361 1.00 0.00 O ATOM 865 CB PRO A 132 -1.340 -10.314 11.126 1.00 0.00 C ATOM 866 CG PRO A 132 -0.874 -11.205 12.226 1.00 0.00 C ATOM 867 CD PRO A 132 0.628 -11.123 12.216 1.00 0.00 C ATOM 0 HA PRO A 132 -0.141 -8.781 10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -2.343 -9.934 11.322 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.381 -10.847 10.176 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.276 -10.883 13.186 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.210 -12.230 12.067 1.00 0.00 H new ATOM 0 HD2 PRO A 132 1.042 -11.221 13.219 1.00 0.00 H new ATOM 0 HD3 PRO A 132 1.070 -11.914 11.610 1.00 0.00 H new ATOM 875 N ASP A 133 -0.612 -8.069 13.218 1.00 0.00 N ATOM 876 CA ASP A 133 -1.030 -6.998 14.115 1.00 0.00 C ATOM 877 C ASP A 133 -0.230 -5.726 13.853 1.00 0.00 C ATOM 878 O ASP A 133 -0.699 -4.620 14.120 1.00 0.00 O ATOM 879 CB ASP A 133 -0.861 -7.430 15.573 1.00 0.00 C ATOM 880 CG ASP A 133 -1.282 -8.868 15.803 1.00 0.00 C ATOM 881 OD1 ASP A 133 -0.433 -9.769 15.636 1.00 0.00 O ATOM 882 OD2 ASP A 133 -2.459 -9.093 16.152 1.00 0.00 O ATOM 0 H ASP A 133 -0.174 -8.863 13.685 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.083 -6.789 13.925 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.182 -7.308 15.866 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.451 -6.775 16.214 1.00 0.00 H new ATOM 887 N MET A 134 0.980 -5.892 13.329 1.00 0.00 N ATOM 888 CA MET A 134 1.845 -4.757 13.030 1.00 0.00 C ATOM 889 C MET A 134 1.370 -4.025 11.779 1.00 0.00 C ATOM 890 O MET A 134 1.034 -2.841 11.831 1.00 0.00 O ATOM 891 CB MET A 134 3.290 -5.224 12.843 1.00 0.00 C ATOM 892 CG MET A 134 3.745 -6.225 13.892 1.00 0.00 C ATOM 893 SD MET A 134 4.303 -5.433 15.413 1.00 0.00 S ATOM 894 CE MET A 134 2.740 -4.909 16.114 1.00 0.00 C ATOM 0 H MET A 134 1.383 -6.801 13.103 1.00 0.00 H new ATOM 0 HA MET A 134 1.800 -4.067 13.873 1.00 0.00 H new ATOM 0 HB2 MET A 134 3.393 -5.673 11.855 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.950 -4.357 12.870 1.00 0.00 H new ATOM 0 HG2 MET A 134 2.924 -6.904 14.121 1.00 0.00 H new ATOM 0 HG3 MET A 134 4.555 -6.830 13.484 1.00 0.00 H new ATOM 0 HE1 MET A 134 2.778 -5.005 17.199 1.00 0.00 H new ATOM 0 HE2 MET A 134 2.552 -3.869 15.848 1.00 0.00 H new ATOM 0 HE3 MET A 134 1.938 -5.534 15.722 1.00 0.00 H new ATOM 904 N CYS A 135 1.343 -4.736 10.657 1.00 0.00 N ATOM 905 CA CYS A 135 0.909 -4.153 9.392 1.00 0.00 C ATOM 906 C CYS A 135 -0.419 -3.421 9.558 1.00 0.00 C ATOM 907 O CYS A 135 -0.595 -2.311 9.056 1.00 0.00 O ATOM 908 CB CYS A 135 0.776 -5.240 8.325 1.00 0.00 C ATOM 909 SG CYS A 135 2.242 -6.284 8.147 1.00 0.00 S ATOM 0 H CYS A 135 1.616 -5.717 10.597 1.00 0.00 H new ATOM 0 HA CYS A 135 1.663 -3.433 9.074 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.079 -5.871 8.569 1.00 0.00 H new ATOM 0 HB3 CYS A 135 0.560 -4.768 7.366 1.00 0.00 H new ATOM 0 HG CYS A 135 2.382 -7.021 9.209 1.00 0.00 H new ATOM 915 N THR A 136 -1.352 -4.050 10.266 1.00 0.00 N ATOM 916 CA THR A 136 -2.664 -3.461 10.496 1.00 0.00 C ATOM 917 C THR A 136 -2.550 -2.145 11.257 1.00 0.00 C ATOM 918 O THR A 136 -3.043 -1.111 10.806 1.00 0.00 O ATOM 919 CB THR A 136 -3.580 -4.417 11.282 1.00 0.00 C ATOM 920 OG1 THR A 136 -3.796 -5.617 10.531 1.00 0.00 O ATOM 921 CG2 THR A 136 -4.916 -3.758 11.589 1.00 0.00 C ATOM 0 H THR A 136 -1.222 -4.968 10.690 1.00 0.00 H new ATOM 0 HA THR A 136 -3.102 -3.274 9.516 1.00 0.00 H new ATOM 0 HB THR A 136 -3.089 -4.661 12.224 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.059 -6.242 10.694 1.00 0.00 H new ATOM 0 HG21 THR A 136 -5.545 -4.453 12.145 1.00 0.00 H new ATOM 0 HG22 THR A 136 -4.751 -2.861 12.186 1.00 0.00 H new ATOM 0 HG23 THR A 136 -5.411 -3.487 10.656 1.00 0.00 H new ATOM 929 N ASP A 137 -1.896 -2.190 12.413 1.00 0.00 N ATOM 930 CA ASP A 137 -1.715 -1.000 13.236 1.00 0.00 C ATOM 931 C ASP A 137 -1.007 0.100 12.452 1.00 0.00 C ATOM 932 O ASP A 137 -1.540 1.196 12.278 1.00 0.00 O ATOM 933 CB ASP A 137 -0.917 -1.341 14.495 1.00 0.00 C ATOM 934 CG ASP A 137 -0.861 -0.186 15.476 1.00 0.00 C ATOM 935 OD1 ASP A 137 0.039 0.668 15.334 1.00 0.00 O ATOM 936 OD2 ASP A 137 -1.715 -0.138 16.385 1.00 0.00 O ATOM 0 H ASP A 137 -1.483 -3.038 12.801 1.00 0.00 H new ATOM 0 HA ASP A 137 -2.700 -0.637 13.528 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.366 -2.207 14.983 1.00 0.00 H new ATOM 0 HB3 ASP A 137 0.097 -1.624 14.213 1.00 0.00 H new ATOM 941 N LYS A 138 0.200 -0.198 11.982 1.00 0.00 N ATOM 942 CA LYS A 138 0.983 0.764 11.217 1.00 0.00 C ATOM 943 C LYS A 138 0.108 1.495 10.203 1.00 0.00 C ATOM 944 O LYS A 138 0.153 2.721 10.100 1.00 0.00 O ATOM 945 CB LYS A 138 2.135 0.059 10.498 1.00 0.00 C ATOM 946 CG LYS A 138 3.018 0.999 9.695 1.00 0.00 C ATOM 947 CD LYS A 138 4.098 1.626 10.562 1.00 0.00 C ATOM 948 CE LYS A 138 5.009 2.531 9.748 1.00 0.00 C ATOM 949 NZ LYS A 138 5.707 3.530 10.605 1.00 0.00 N ATOM 0 H LYS A 138 0.657 -1.100 12.118 1.00 0.00 H new ATOM 0 HA LYS A 138 1.392 1.497 11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.748 -0.461 11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.726 -0.700 9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.481 0.452 8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 138 2.406 1.784 9.250 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.635 2.201 11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.690 0.841 11.033 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.747 1.925 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.423 3.050 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.318 4.128 10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.004 4.125 11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.287 3.035 11.313 1.00 0.00 H new ATOM 963 N TRP A 139 -0.687 0.735 9.459 1.00 0.00 N ATOM 964 CA TRP A 139 -1.573 1.311 8.454 1.00 0.00 C ATOM 965 C TRP A 139 -2.453 2.397 9.063 1.00 0.00 C ATOM 966 O TRP A 139 -2.531 3.510 8.542 1.00 0.00 O ATOM 967 CB TRP A 139 -2.446 0.221 7.830 1.00 0.00 C ATOM 968 CG TRP A 139 -3.494 0.758 6.903 1.00 0.00 C ATOM 969 CD1 TRP A 139 -4.798 1.028 7.208 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.327 1.088 5.520 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.451 1.506 6.097 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.570 1.553 5.049 1.00 0.00 C ATOM 973 CE3 TRP A 139 -2.248 1.038 4.633 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.762 1.963 3.732 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -2.439 1.445 3.327 1.00 0.00 C ATOM 976 CH2 TRP A 139 -3.688 1.904 2.886 1.00 0.00 C ATOM 0 H TRP A 139 -0.736 -0.281 9.532 1.00 0.00 H new ATOM 0 HA TRP A 139 -0.956 1.762 7.677 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.810 -0.475 7.284 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -2.930 -0.346 8.625 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.249 0.887 8.179 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.432 1.781 6.059 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -1.281 0.687 4.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.724 2.315 3.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.612 1.409 2.634 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -3.805 2.217 1.859 1.00 0.00 H new ATOM 987 N ARG A 140 -3.113 2.068 10.168 1.00 0.00 N ATOM 988 CA ARG A 140 -3.988 3.016 10.847 1.00 0.00 C ATOM 989 C ARG A 140 -3.278 4.349 11.068 1.00 0.00 C ATOM 990 O ARG A 140 -3.728 5.389 10.591 1.00 0.00 O ATOM 991 CB ARG A 140 -4.452 2.445 12.188 1.00 0.00 C ATOM 992 CG ARG A 140 -5.661 1.530 12.075 1.00 0.00 C ATOM 993 CD ARG A 140 -5.744 0.569 13.251 1.00 0.00 C ATOM 994 NE ARG A 140 -6.501 1.132 14.365 1.00 0.00 N ATOM 995 CZ ARG A 140 -7.790 1.445 14.294 1.00 0.00 C ATOM 996 NH1 ARG A 140 -8.462 1.250 13.168 1.00 0.00 N ATOM 997 NH2 ARG A 140 -8.410 1.953 15.352 1.00 0.00 N ATOM 0 H ARG A 140 -3.059 1.152 10.613 1.00 0.00 H new ATOM 0 HA ARG A 140 -4.858 3.187 10.213 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -3.630 1.892 12.642 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -4.692 3.269 12.861 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.570 2.130 12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.605 0.965 11.145 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.213 -0.360 12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -4.738 0.319 13.586 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.013 1.294 15.246 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -7.989 0.859 12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -9.452 1.491 13.116 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.897 2.103 16.220 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.400 2.193 15.297 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.166 4.308 11.795 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.395 5.512 12.080 1.00 0.00 C ATOM 1013 C ASN A 141 -1.163 6.323 10.809 1.00 0.00 C ATOM 1014 O ASN A 141 -1.301 7.547 10.806 1.00 0.00 O ATOM 1015 CB ASN A 141 -0.052 5.144 12.716 1.00 0.00 C ATOM 1016 CG ASN A 141 0.550 6.294 13.500 1.00 0.00 C ATOM 1017 OD1 ASN A 141 0.750 7.386 12.968 1.00 0.00 O ATOM 1018 ND2 ASN A 141 0.844 6.052 14.773 1.00 0.00 N ATOM 0 H ASN A 141 -1.779 3.454 12.197 1.00 0.00 H new ATOM 0 HA ASN A 141 -1.966 6.122 12.780 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -0.189 4.289 13.378 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.644 4.836 11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 141 1.253 6.787 15.351 1.00 0.00 H new ATOM 0 HD22 ASN A 141 0.661 5.132 15.173 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.809 5.633 9.730 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.559 6.288 8.451 1.00 0.00 C ATOM 1027 C LEU A 142 -1.772 7.099 8.007 1.00 0.00 C ATOM 1028 O LEU A 142 -1.636 8.204 7.481 1.00 0.00 O ATOM 1029 CB LEU A 142 -0.206 5.251 7.384 1.00 0.00 C ATOM 1030 CG LEU A 142 1.072 4.446 7.627 1.00 0.00 C ATOM 1031 CD1 LEU A 142 1.069 3.176 6.790 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.300 5.289 7.316 1.00 0.00 C ATOM 0 H LEU A 142 -0.689 4.620 9.716 1.00 0.00 H new ATOM 0 HA LEU A 142 0.282 6.969 8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -1.039 4.554 7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.113 5.762 6.426 1.00 0.00 H new ATOM 0 HG LEU A 142 1.107 4.164 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.985 2.616 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 142 0.209 2.564 7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.011 3.437 5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.200 4.701 7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.272 5.602 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.309 6.170 7.958 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.959 6.543 8.225 1.00 0.00 N ATOM 1045 CA LEU A 143 -4.199 7.215 7.850 1.00 0.00 C ATOM 1046 C LEU A 143 -4.365 8.522 8.619 1.00 0.00 C ATOM 1047 O LEU A 143 -4.784 9.535 8.060 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.397 6.301 8.111 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.372 4.944 7.406 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.352 3.984 8.062 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.689 5.105 5.927 1.00 0.00 C ATOM 0 H LEU A 143 -3.089 5.629 8.659 1.00 0.00 H new ATOM 0 HA LEU A 143 -4.150 7.445 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.470 6.129 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.303 6.828 7.810 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.369 4.527 7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.321 3.024 7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.079 3.844 9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.360 4.395 8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.667 4.129 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.680 5.544 5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.948 5.757 5.465 1.00 0.00 H new ATOM 1063 N LYS A 144 -4.031 8.491 9.905 1.00 0.00 N ATOM 1064 CA LYS A 144 -4.139 9.673 10.752 1.00 0.00 C ATOM 1065 C LYS A 144 -3.292 10.816 10.202 1.00 0.00 C ATOM 1066 O LYS A 144 -3.777 11.936 10.039 1.00 0.00 O ATOM 1067 CB LYS A 144 -3.702 9.343 12.181 1.00 0.00 C ATOM 1068 CG LYS A 144 -4.411 8.137 12.771 1.00 0.00 C ATOM 1069 CD LYS A 144 -5.687 8.537 13.493 1.00 0.00 C ATOM 1070 CE LYS A 144 -6.847 8.703 12.523 1.00 0.00 C ATOM 1071 NZ LYS A 144 -8.159 8.729 13.228 1.00 0.00 N ATOM 0 H LYS A 144 -3.683 7.660 10.383 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.182 9.989 10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.627 9.163 12.191 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -3.886 10.209 12.817 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -4.648 7.429 11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -3.744 7.626 13.465 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.938 7.780 14.236 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -5.525 9.471 14.031 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -6.719 9.627 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.838 7.885 11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -8.924 8.843 12.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -8.292 7.837 13.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -8.178 9.525 13.898 1.00 0.00 H new ATOM 1085 N GLU A 145 -2.027 10.526 9.916 1.00 0.00 N ATOM 1086 CA GLU A 145 -1.115 11.531 9.383 1.00 0.00 C ATOM 1087 C GLU A 145 -1.551 11.978 7.991 1.00 0.00 C ATOM 1088 O GLU A 145 -1.562 13.171 7.685 1.00 0.00 O ATOM 1089 CB GLU A 145 0.312 10.979 9.329 1.00 0.00 C ATOM 1090 CG GLU A 145 0.907 10.696 10.699 1.00 0.00 C ATOM 1091 CD GLU A 145 0.852 11.899 11.619 1.00 0.00 C ATOM 1092 OE1 GLU A 145 1.771 12.742 11.550 1.00 0.00 O ATOM 1093 OE2 GLU A 145 -0.110 11.999 12.409 1.00 0.00 O ATOM 0 H GLU A 145 -1.610 9.604 10.044 1.00 0.00 H new ATOM 0 HA GLU A 145 -1.139 12.395 10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.315 10.059 8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.949 11.692 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.370 9.866 11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.944 10.380 10.582 1.00 0.00 H new ATOM 1100 N PHE A 146 -1.910 11.013 7.151 1.00 0.00 N ATOM 1101 CA PHE A 146 -2.346 11.307 5.791 1.00 0.00 C ATOM 1102 C PHE A 146 -3.388 12.422 5.782 1.00 0.00 C ATOM 1103 O PHE A 146 -3.306 13.358 4.987 1.00 0.00 O ATOM 1104 CB PHE A 146 -2.922 10.050 5.135 1.00 0.00 C ATOM 1105 CG PHE A 146 -1.884 9.191 4.470 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -1.021 9.728 3.529 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.773 7.847 4.786 1.00 0.00 C ATOM 1108 CE1 PHE A 146 -0.065 8.941 2.916 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.818 7.055 4.177 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.036 7.602 3.239 1.00 0.00 C ATOM 0 H PHE A 146 -1.908 10.021 7.388 1.00 0.00 H new ATOM 0 HA PHE A 146 -1.478 11.641 5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.440 9.460 5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.666 10.345 4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -1.096 10.774 3.271 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.440 7.413 5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 146 0.603 9.373 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.739 6.009 4.434 1.00 0.00 H new ATOM 0 HZ PHE A 146 0.781 6.984 2.759 1.00 0.00 H new