USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 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 102 MET CE :methyl 167:sc= -3.61 (180deg=-4.75!) USER MOD Set 1.2: A 114 HIS :FLIP no HD1:sc= -0.0563 F(o=-9.5,f=-6.6) USER MOD Set 1.3: A 118 GLN :FLIP amide:sc= -2.89! C(o=-9.2!,f=-6.6!) USER MOD Single : A 89 GLN : amide:sc= -2.28 K(o=-2.3,f=-7.6!) USER MOD Single : A 92 THR OG1 : rot 82:sc= 0.257 USER MOD Single : A 94 SER OG : rot 94:sc= 1.2 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -2.75! C(o=-2.8!,f=-3.6!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -25:sc= 0.884 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 149:sc= -0.506 (180deg=-1.61!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 135 CYS SG : rot 61:sc= 1.27 USER MOD Single : A 136 THR OG1 : rot 70:sc= 0.261 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.0237 K(o=-0.024,f=-1.6!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 10.144 -0.825 10.461 1.00 0.00 N ATOM 109 CA TRP A 87 9.506 -0.564 9.176 1.00 0.00 C ATOM 110 C TRP A 87 10.433 0.224 8.258 1.00 0.00 C ATOM 111 O TRP A 87 10.834 1.343 8.576 1.00 0.00 O ATOM 112 CB TRP A 87 8.197 0.201 9.379 1.00 0.00 C ATOM 113 CG TRP A 87 7.129 -0.614 10.043 1.00 0.00 C ATOM 114 CD1 TRP A 87 6.843 -0.659 11.377 1.00 0.00 C ATOM 115 CD2 TRP A 87 6.206 -1.502 9.403 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.798 -1.522 11.605 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.389 -2.051 10.410 1.00 0.00 C ATOM 118 CE3 TRP A 87 5.990 -1.885 8.076 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.375 -2.963 10.131 1.00 0.00 C ATOM 120 CZ3 TRP A 87 4.982 -2.790 7.801 1.00 0.00 C ATOM 121 CH2 TRP A 87 4.185 -3.320 8.824 1.00 0.00 C ATOM 0 HA TRP A 87 9.289 -1.523 8.705 1.00 0.00 H new ATOM 0 HB2 TRP A 87 8.393 1.089 9.980 1.00 0.00 H new ATOM 0 HB3 TRP A 87 7.832 0.546 8.411 1.00 0.00 H new ATOM 0 HD1 TRP A 87 7.362 -0.099 12.141 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.393 -1.734 12.517 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.599 -1.481 7.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.760 -3.374 10.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 4.806 -3.094 6.780 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.405 -4.025 8.576 1.00 0.00 H new ATOM 132 N VAL A 88 10.771 -0.367 7.116 1.00 0.00 N ATOM 133 CA VAL A 88 11.650 0.281 6.150 1.00 0.00 C ATOM 134 C VAL A 88 10.889 0.668 4.887 1.00 0.00 C ATOM 135 O VAL A 88 9.852 0.085 4.573 1.00 0.00 O ATOM 136 CB VAL A 88 12.831 -0.631 5.766 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.695 -0.927 6.982 1.00 0.00 C ATOM 138 CG2 VAL A 88 12.325 -1.919 5.135 1.00 0.00 C ATOM 0 H VAL A 88 10.449 -1.294 6.837 1.00 0.00 H new ATOM 0 HA VAL A 88 12.036 1.181 6.628 1.00 0.00 H new ATOM 0 HB VAL A 88 13.446 -0.110 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.524 -1.572 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.087 0.007 7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.095 -1.428 7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.172 -2.552 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.687 -2.446 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.753 -1.684 4.238 1.00 0.00 H new ATOM 148 N GLN A 89 11.413 1.655 4.167 1.00 0.00 N ATOM 149 CA GLN A 89 10.782 2.120 2.937 1.00 0.00 C ATOM 150 C GLN A 89 10.276 0.945 2.107 1.00 0.00 C ATOM 151 O GLN A 89 9.114 0.914 1.701 1.00 0.00 O ATOM 152 CB GLN A 89 11.768 2.953 2.116 1.00 0.00 C ATOM 153 CG GLN A 89 11.163 3.542 0.852 1.00 0.00 C ATOM 154 CD GLN A 89 11.289 2.616 -0.342 1.00 0.00 C ATOM 155 OE1 GLN A 89 11.758 1.484 -0.218 1.00 0.00 O ATOM 156 NE2 GLN A 89 10.870 3.094 -1.508 1.00 0.00 N ATOM 0 H GLN A 89 12.272 2.147 4.414 1.00 0.00 H new ATOM 0 HA GLN A 89 9.930 2.743 3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.151 3.763 2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.620 2.329 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 89 10.110 3.762 1.026 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.654 4.489 0.626 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.488 4.038 -1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.930 2.517 -2.347 1.00 0.00 H new ATOM 165 N ASP A 90 11.155 -0.019 1.858 1.00 0.00 N ATOM 166 CA ASP A 90 10.797 -1.197 1.076 1.00 0.00 C ATOM 167 C ASP A 90 9.455 -1.762 1.528 1.00 0.00 C ATOM 168 O ASP A 90 8.503 -1.823 0.751 1.00 0.00 O ATOM 169 CB ASP A 90 11.883 -2.267 1.201 1.00 0.00 C ATOM 170 CG ASP A 90 13.281 -1.684 1.139 1.00 0.00 C ATOM 171 OD1 ASP A 90 13.648 -1.131 0.081 1.00 0.00 O ATOM 172 OD2 ASP A 90 14.008 -1.779 2.150 1.00 0.00 O ATOM 0 H ASP A 90 12.121 -0.008 2.186 1.00 0.00 H new ATOM 0 HA ASP A 90 10.711 -0.897 0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.757 -2.800 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.762 -2.998 0.402 1.00 0.00 H new ATOM 177 N GLU A 91 9.387 -2.175 2.790 1.00 0.00 N ATOM 178 CA GLU A 91 8.160 -2.737 3.345 1.00 0.00 C ATOM 179 C GLU A 91 7.019 -1.725 3.277 1.00 0.00 C ATOM 180 O GLU A 91 6.029 -1.935 2.576 1.00 0.00 O ATOM 181 CB GLU A 91 8.383 -3.174 4.794 1.00 0.00 C ATOM 182 CG GLU A 91 9.102 -4.507 4.924 1.00 0.00 C ATOM 183 CD GLU A 91 10.610 -4.355 4.964 1.00 0.00 C ATOM 184 OE1 GLU A 91 11.211 -4.108 3.898 1.00 0.00 O ATOM 185 OE2 GLU A 91 11.189 -4.482 6.063 1.00 0.00 O ATOM 0 H GLU A 91 10.166 -2.131 3.447 1.00 0.00 H new ATOM 0 HA GLU A 91 7.887 -3.608 2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.960 -2.407 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.418 -3.240 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.767 -5.009 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.827 -5.147 4.086 1.00 0.00 H new ATOM 192 N THR A 92 7.166 -0.627 4.011 1.00 0.00 N ATOM 193 CA THR A 92 6.149 0.417 4.036 1.00 0.00 C ATOM 194 C THR A 92 5.512 0.597 2.663 1.00 0.00 C ATOM 195 O THR A 92 4.325 0.328 2.479 1.00 0.00 O ATOM 196 CB THR A 92 6.737 1.764 4.498 1.00 0.00 C ATOM 197 OG1 THR A 92 7.460 1.589 5.721 1.00 0.00 O ATOM 198 CG2 THR A 92 5.636 2.795 4.697 1.00 0.00 C ATOM 0 H THR A 92 7.980 -0.437 4.596 1.00 0.00 H new ATOM 0 HA THR A 92 5.387 0.099 4.748 1.00 0.00 H new ATOM 0 HB THR A 92 7.415 2.124 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.358 1.249 5.524 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.075 3.738 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.106 2.947 3.757 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.937 2.439 5.454 1.00 0.00 H new ATOM 206 N ARG A 93 6.308 1.054 1.702 1.00 0.00 N ATOM 207 CA ARG A 93 5.821 1.270 0.345 1.00 0.00 C ATOM 208 C ARG A 93 5.021 0.067 -0.144 1.00 0.00 C ATOM 209 O ARG A 93 3.938 0.218 -0.711 1.00 0.00 O ATOM 210 CB ARG A 93 6.992 1.537 -0.603 1.00 0.00 C ATOM 211 CG ARG A 93 6.608 2.342 -1.834 1.00 0.00 C ATOM 212 CD ARG A 93 7.633 2.185 -2.945 1.00 0.00 C ATOM 213 NE ARG A 93 7.496 3.218 -3.968 1.00 0.00 N ATOM 214 CZ ARG A 93 6.643 3.140 -4.982 1.00 0.00 C ATOM 215 NH1 ARG A 93 5.854 2.081 -5.110 1.00 0.00 N ATOM 216 NH2 ARG A 93 6.576 4.122 -5.873 1.00 0.00 N ATOM 0 H ARG A 93 7.293 1.282 1.838 1.00 0.00 H new ATOM 0 HA ARG A 93 5.165 2.140 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.773 2.069 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.416 0.584 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.630 2.018 -2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.517 3.395 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.636 2.226 -2.521 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.521 1.203 -3.405 1.00 0.00 H new ATOM 0 HE ARG A 93 8.089 4.045 -3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.902 1.324 -4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.200 2.024 -5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.181 4.938 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.920 4.060 -6.652 1.00 0.00 H new ATOM 230 N SER A 94 5.561 -1.127 0.079 1.00 0.00 N ATOM 231 CA SER A 94 4.899 -2.356 -0.343 1.00 0.00 C ATOM 232 C SER A 94 3.528 -2.487 0.312 1.00 0.00 C ATOM 233 O SER A 94 2.505 -2.558 -0.371 1.00 0.00 O ATOM 234 CB SER A 94 5.762 -3.570 0.006 1.00 0.00 C ATOM 235 OG SER A 94 7.043 -3.475 -0.592 1.00 0.00 O ATOM 0 H SER A 94 6.455 -1.269 0.549 1.00 0.00 H new ATOM 0 HA SER A 94 4.763 -2.314 -1.424 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.867 -3.646 1.088 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.267 -4.481 -0.331 1.00 0.00 H new ATOM 0 HG SER A 94 7.672 -3.076 0.044 1.00 0.00 H new ATOM 241 N LEU A 95 3.514 -2.517 1.640 1.00 0.00 N ATOM 242 CA LEU A 95 2.268 -2.639 2.390 1.00 0.00 C ATOM 243 C LEU A 95 1.148 -1.855 1.715 1.00 0.00 C ATOM 244 O LEU A 95 0.056 -2.380 1.492 1.00 0.00 O ATOM 245 CB LEU A 95 2.462 -2.143 3.823 1.00 0.00 C ATOM 246 CG LEU A 95 1.224 -2.181 4.720 1.00 0.00 C ATOM 247 CD1 LEU A 95 0.913 -3.610 5.139 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.423 -1.296 5.942 1.00 0.00 C ATOM 0 H LEU A 95 4.351 -2.459 2.220 1.00 0.00 H new ATOM 0 HA LEU A 95 1.987 -3.692 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.243 -2.742 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.827 -1.117 3.785 1.00 0.00 H new ATOM 0 HG LEU A 95 0.376 -1.797 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.029 -3.618 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.726 -4.217 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.760 -4.021 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.532 -1.335 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.283 -1.649 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.597 -0.268 5.623 1.00 0.00 H new ATOM 260 N ILE A 96 1.426 -0.597 1.391 1.00 0.00 N ATOM 261 CA ILE A 96 0.442 0.259 0.738 1.00 0.00 C ATOM 262 C ILE A 96 0.084 -0.272 -0.646 1.00 0.00 C ATOM 263 O ILE A 96 -1.077 -0.238 -1.053 1.00 0.00 O ATOM 264 CB ILE A 96 0.954 1.705 0.605 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.304 2.274 1.981 1.00 0.00 C ATOM 266 CG2 ILE A 96 -0.087 2.574 -0.085 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.205 3.488 1.921 1.00 0.00 C ATOM 0 H ILE A 96 2.324 -0.147 1.570 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.448 0.254 1.367 1.00 0.00 H new ATOM 0 HB ILE A 96 1.857 1.700 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.383 2.540 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.791 1.499 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.289 3.593 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.291 2.177 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.006 2.575 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.412 3.838 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.141 3.222 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.712 4.280 1.357 1.00 0.00 H new ATOM 279 N MET A 97 1.088 -0.764 -1.363 1.00 0.00 N ATOM 280 CA MET A 97 0.878 -1.305 -2.701 1.00 0.00 C ATOM 281 C MET A 97 -0.162 -2.420 -2.679 1.00 0.00 C ATOM 282 O MET A 97 -1.154 -2.371 -3.406 1.00 0.00 O ATOM 283 CB MET A 97 2.196 -1.831 -3.274 1.00 0.00 C ATOM 284 CG MET A 97 2.156 -2.061 -4.776 1.00 0.00 C ATOM 285 SD MET A 97 3.382 -3.264 -5.326 1.00 0.00 S ATOM 286 CE MET A 97 4.892 -2.321 -5.133 1.00 0.00 C ATOM 0 H MET A 97 2.055 -0.799 -1.041 1.00 0.00 H new ATOM 0 HA MET A 97 0.509 -0.501 -3.338 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.991 -1.122 -3.044 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.451 -2.768 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 97 1.162 -2.405 -5.061 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.325 -1.115 -5.289 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.743 -2.932 -5.434 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.846 -1.429 -5.758 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.007 -2.028 -4.089 1.00 0.00 H new ATOM 296 N PHE A 98 0.072 -3.425 -1.841 1.00 0.00 N ATOM 297 CA PHE A 98 -0.845 -4.553 -1.726 1.00 0.00 C ATOM 298 C PHE A 98 -2.246 -4.079 -1.353 1.00 0.00 C ATOM 299 O PHE A 98 -3.244 -4.608 -1.844 1.00 0.00 O ATOM 300 CB PHE A 98 -0.335 -5.547 -0.681 1.00 0.00 C ATOM 301 CG PHE A 98 1.097 -5.952 -0.887 1.00 0.00 C ATOM 302 CD1 PHE A 98 1.509 -6.500 -2.091 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.030 -5.784 0.123 1.00 0.00 C ATOM 304 CE1 PHE A 98 2.826 -6.874 -2.282 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.349 -6.156 -0.063 1.00 0.00 C ATOM 306 CZ PHE A 98 3.747 -6.700 -1.268 1.00 0.00 C ATOM 0 H PHE A 98 0.888 -3.481 -1.232 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.895 -5.049 -2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.440 -5.106 0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.963 -6.438 -0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.794 -6.636 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.724 -5.358 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.135 -7.302 -3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.066 -6.021 0.733 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.777 -6.989 -1.417 1.00 0.00 H new ATOM 316 N ARG A 99 -2.313 -3.079 -0.479 1.00 0.00 N ATOM 317 CA ARG A 99 -3.592 -2.535 -0.038 1.00 0.00 C ATOM 318 C ARG A 99 -4.262 -1.744 -1.158 1.00 0.00 C ATOM 319 O ARG A 99 -5.277 -2.169 -1.709 1.00 0.00 O ATOM 320 CB ARG A 99 -3.393 -1.638 1.185 1.00 0.00 C ATOM 321 CG ARG A 99 -4.675 -1.367 1.956 1.00 0.00 C ATOM 322 CD ARG A 99 -5.093 -2.573 2.783 1.00 0.00 C ATOM 323 NE ARG A 99 -3.946 -3.250 3.383 1.00 0.00 N ATOM 324 CZ ARG A 99 -3.345 -2.835 4.492 1.00 0.00 C ATOM 325 NH1 ARG A 99 -3.780 -1.751 5.119 1.00 0.00 N ATOM 326 NH2 ARG A 99 -2.307 -3.505 4.976 1.00 0.00 N ATOM 0 H ARG A 99 -1.497 -2.630 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.240 -3.369 0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.669 -2.104 1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.965 -0.689 0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.532 -0.507 2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.472 -1.108 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.777 -2.254 3.569 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.638 -3.274 2.151 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.587 -4.088 2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.578 -1.234 4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.317 -1.434 5.971 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.970 -4.340 4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.846 -3.185 5.828 1.00 0.00 H new ATOM 340 N ARG A 100 -3.687 -0.593 -1.488 1.00 0.00 N ATOM 341 CA ARG A 100 -4.229 0.258 -2.541 1.00 0.00 C ATOM 342 C ARG A 100 -4.754 -0.582 -3.702 1.00 0.00 C ATOM 343 O ARG A 100 -5.709 -0.199 -4.376 1.00 0.00 O ATOM 344 CB ARG A 100 -3.159 1.229 -3.043 1.00 0.00 C ATOM 345 CG ARG A 100 -2.091 0.569 -3.899 1.00 0.00 C ATOM 346 CD ARG A 100 -1.047 1.574 -4.361 1.00 0.00 C ATOM 347 NE ARG A 100 -0.313 1.102 -5.532 1.00 0.00 N ATOM 348 CZ ARG A 100 0.669 1.786 -6.109 1.00 0.00 C ATOM 349 NH1 ARG A 100 1.032 2.966 -5.625 1.00 0.00 N ATOM 350 NH2 ARG A 100 1.289 1.290 -7.172 1.00 0.00 N ATOM 0 H ARG A 100 -2.846 -0.228 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.059 0.828 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.639 2.018 -3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.683 1.706 -2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.607 -0.225 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.556 0.101 -4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.534 2.520 -4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.347 1.769 -3.549 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.568 0.198 -5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.557 3.350 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.786 3.489 -6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.012 0.383 -7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.043 1.816 -7.614 1.00 0.00 H new ATOM 364 N GLY A 101 -4.122 -1.729 -3.929 1.00 0.00 N ATOM 365 CA GLY A 101 -4.539 -2.605 -5.009 1.00 0.00 C ATOM 366 C GLY A 101 -5.775 -3.409 -4.659 1.00 0.00 C ATOM 367 O GLY A 101 -6.686 -3.546 -5.475 1.00 0.00 O ATOM 0 H GLY A 101 -3.329 -2.068 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.737 -2.009 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.724 -3.286 -5.256 1.00 0.00 H new ATOM 371 N MET A 102 -5.805 -3.945 -3.443 1.00 0.00 N ATOM 372 CA MET A 102 -6.939 -4.741 -2.987 1.00 0.00 C ATOM 373 C MET A 102 -7.877 -3.906 -2.121 1.00 0.00 C ATOM 374 O MET A 102 -8.633 -4.444 -1.313 1.00 0.00 O ATOM 375 CB MET A 102 -6.451 -5.960 -2.202 1.00 0.00 C ATOM 376 CG MET A 102 -5.668 -6.953 -3.046 1.00 0.00 C ATOM 377 SD MET A 102 -4.597 -8.013 -2.056 1.00 0.00 S ATOM 378 CE MET A 102 -5.388 -7.892 -0.454 1.00 0.00 C ATOM 0 H MET A 102 -5.058 -3.843 -2.756 1.00 0.00 H new ATOM 0 HA MET A 102 -7.489 -5.080 -3.865 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.824 -5.623 -1.377 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.310 -6.467 -1.763 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.365 -7.573 -3.611 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.064 -6.410 -3.772 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.990 -8.662 0.207 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.193 -6.909 -0.025 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.463 -8.031 -0.568 1.00 0.00 H new ATOM 388 N ASP A 103 -7.821 -2.590 -2.296 1.00 0.00 N ATOM 389 CA ASP A 103 -8.666 -1.681 -1.531 1.00 0.00 C ATOM 390 C ASP A 103 -10.137 -1.881 -1.882 1.00 0.00 C ATOM 391 O ASP A 103 -10.972 -2.094 -1.004 1.00 0.00 O ATOM 392 CB ASP A 103 -8.259 -0.230 -1.793 1.00 0.00 C ATOM 393 CG ASP A 103 -8.674 0.699 -0.669 1.00 0.00 C ATOM 394 OD1 ASP A 103 -9.842 0.619 -0.234 1.00 0.00 O ATOM 395 OD2 ASP A 103 -7.832 1.507 -0.226 1.00 0.00 O ATOM 0 H ASP A 103 -7.199 -2.129 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.530 -1.903 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.178 -0.177 -1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.710 0.108 -2.726 1.00 0.00 H new ATOM 400 N GLY A 104 -10.447 -1.810 -3.173 1.00 0.00 N ATOM 401 CA GLY A 104 -11.817 -1.984 -3.618 1.00 0.00 C ATOM 402 C GLY A 104 -12.543 -3.070 -2.849 1.00 0.00 C ATOM 403 O GLY A 104 -13.768 -3.042 -2.727 1.00 0.00 O ATOM 0 H GLY A 104 -9.773 -1.635 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.355 -1.042 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.822 -2.230 -4.680 1.00 0.00 H new ATOM 407 N LEU A 105 -11.786 -4.031 -2.330 1.00 0.00 N ATOM 408 CA LEU A 105 -12.365 -5.133 -1.569 1.00 0.00 C ATOM 409 C LEU A 105 -12.736 -4.686 -0.159 1.00 0.00 C ATOM 410 O LEU A 105 -13.894 -4.778 0.249 1.00 0.00 O ATOM 411 CB LEU A 105 -11.383 -6.304 -1.504 1.00 0.00 C ATOM 412 CG LEU A 105 -11.163 -7.070 -2.809 1.00 0.00 C ATOM 413 CD1 LEU A 105 -10.002 -8.042 -2.669 1.00 0.00 C ATOM 414 CD2 LEU A 105 -12.432 -7.806 -3.216 1.00 0.00 C ATOM 0 H LEU A 105 -10.771 -4.069 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.273 -5.456 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.420 -5.926 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.736 -7.006 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 105 -10.916 -6.353 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.861 -8.578 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.094 -7.491 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.218 -8.755 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.257 -8.346 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.710 -8.512 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.239 -7.088 -3.359 1.00 0.00 H new ATOM 426 N PHE A 106 -11.745 -4.200 0.582 1.00 0.00 N ATOM 427 CA PHE A 106 -11.967 -3.737 1.947 1.00 0.00 C ATOM 428 C PHE A 106 -13.318 -3.039 2.071 1.00 0.00 C ATOM 429 O PHE A 106 -14.006 -3.171 3.082 1.00 0.00 O ATOM 430 CB PHE A 106 -10.847 -2.785 2.373 1.00 0.00 C ATOM 431 CG PHE A 106 -9.615 -3.491 2.864 1.00 0.00 C ATOM 432 CD1 PHE A 106 -8.685 -3.993 1.967 1.00 0.00 C ATOM 433 CD2 PHE A 106 -9.387 -3.652 4.221 1.00 0.00 C ATOM 434 CE1 PHE A 106 -7.551 -4.643 2.416 1.00 0.00 C ATOM 435 CE2 PHE A 106 -8.254 -4.301 4.676 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.335 -4.796 3.772 1.00 0.00 C ATOM 0 H PHE A 106 -10.781 -4.117 0.260 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.965 -4.606 2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.580 -2.150 1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.218 -2.129 3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.848 -3.875 0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.103 -3.266 4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.834 -5.031 1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.088 -4.421 5.736 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.448 -5.302 4.125 1.00 0.00 H new ATOM 446 N ASN A 107 -13.690 -2.294 1.035 1.00 0.00 N ATOM 447 CA ASN A 107 -14.958 -1.574 1.028 1.00 0.00 C ATOM 448 C ASN A 107 -16.133 -2.541 0.928 1.00 0.00 C ATOM 449 O ASN A 107 -17.001 -2.574 1.801 1.00 0.00 O ATOM 450 CB ASN A 107 -14.999 -0.582 -0.137 1.00 0.00 C ATOM 451 CG ASN A 107 -16.411 -0.147 -0.476 1.00 0.00 C ATOM 452 OD1 ASN A 107 -17.049 0.578 0.287 1.00 0.00 O ATOM 453 ND2 ASN A 107 -16.906 -0.588 -1.627 1.00 0.00 N ATOM 0 H ASN A 107 -13.132 -2.173 0.190 1.00 0.00 H new ATOM 0 HA ASN A 107 -15.041 -1.026 1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -14.402 0.295 0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -14.541 -1.038 -1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -17.851 -0.327 -1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -16.341 -1.187 -2.229 1.00 0.00 H new ATOM 460 N THR A 108 -16.154 -3.330 -0.142 1.00 0.00 N ATOM 461 CA THR A 108 -17.222 -4.298 -0.357 1.00 0.00 C ATOM 462 C THR A 108 -17.344 -5.253 0.824 1.00 0.00 C ATOM 463 O THR A 108 -18.384 -5.314 1.481 1.00 0.00 O ATOM 464 CB THR A 108 -16.989 -5.116 -1.642 1.00 0.00 C ATOM 465 OG1 THR A 108 -16.983 -4.248 -2.781 1.00 0.00 O ATOM 466 CG2 THR A 108 -18.066 -6.176 -1.811 1.00 0.00 C ATOM 0 H THR A 108 -15.443 -3.317 -0.873 1.00 0.00 H new ATOM 0 HA THR A 108 -18.147 -3.730 -0.459 1.00 0.00 H new ATOM 0 HB THR A 108 -16.022 -5.613 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 108 -16.833 -4.775 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 108 -17.881 -6.741 -2.725 1.00 0.00 H new ATOM 0 HG22 THR A 108 -18.048 -6.852 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 108 -19.043 -5.696 -1.873 1.00 0.00 H new ATOM 474 N SER A 109 -16.276 -5.997 1.091 1.00 0.00 N ATOM 475 CA SER A 109 -16.265 -6.953 2.192 1.00 0.00 C ATOM 476 C SER A 109 -16.085 -6.239 3.528 1.00 0.00 C ATOM 477 O SER A 109 -15.050 -5.621 3.782 1.00 0.00 O ATOM 478 CB SER A 109 -15.147 -7.978 1.994 1.00 0.00 C ATOM 479 OG SER A 109 -15.577 -9.050 1.173 1.00 0.00 O ATOM 0 H SER A 109 -15.406 -5.956 0.560 1.00 0.00 H new ATOM 0 HA SER A 109 -17.224 -7.470 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.282 -7.494 1.542 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.827 -8.363 2.962 1.00 0.00 H new ATOM 0 HG SER A 109 -14.844 -9.690 1.060 1.00 0.00 H new ATOM 485 N LYS A 110 -17.100 -6.328 4.381 1.00 0.00 N ATOM 486 CA LYS A 110 -17.056 -5.692 5.692 1.00 0.00 C ATOM 487 C LYS A 110 -15.843 -6.166 6.486 1.00 0.00 C ATOM 488 O LYS A 110 -14.999 -5.364 6.886 1.00 0.00 O ATOM 489 CB LYS A 110 -18.339 -5.995 6.471 1.00 0.00 C ATOM 490 CG LYS A 110 -18.527 -5.118 7.697 1.00 0.00 C ATOM 491 CD LYS A 110 -18.723 -3.661 7.316 1.00 0.00 C ATOM 492 CE LYS A 110 -19.294 -2.854 8.472 1.00 0.00 C ATOM 493 NZ LYS A 110 -20.783 -2.860 8.472 1.00 0.00 N ATOM 0 H LYS A 110 -17.964 -6.835 4.187 1.00 0.00 H new ATOM 0 HA LYS A 110 -16.973 -4.615 5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -19.195 -5.867 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -18.328 -7.040 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -19.390 -5.466 8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.658 -5.211 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -17.769 -3.233 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -19.393 -3.595 6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -18.929 -3.262 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -18.935 -1.827 8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -21.132 -2.299 9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -21.132 -2.447 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -21.126 -3.838 8.557 1.00 0.00 H new ATOM 507 N SER A 111 -15.762 -7.473 6.710 1.00 0.00 N ATOM 508 CA SER A 111 -14.652 -8.053 7.459 1.00 0.00 C ATOM 509 C SER A 111 -13.444 -8.275 6.554 1.00 0.00 C ATOM 510 O SER A 111 -13.477 -9.106 5.648 1.00 0.00 O ATOM 511 CB SER A 111 -15.076 -9.378 8.096 1.00 0.00 C ATOM 512 OG SER A 111 -14.170 -9.768 9.113 1.00 0.00 O ATOM 0 H SER A 111 -16.451 -8.151 6.384 1.00 0.00 H new ATOM 0 HA SER A 111 -14.372 -7.353 8.246 1.00 0.00 H new ATOM 0 HB2 SER A 111 -16.077 -9.280 8.515 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.125 -10.153 7.331 1.00 0.00 H new ATOM 0 HG SER A 111 -14.464 -10.617 9.505 1.00 0.00 H new ATOM 518 N ASN A 112 -12.377 -7.524 6.808 1.00 0.00 N ATOM 519 CA ASN A 112 -11.157 -7.637 6.017 1.00 0.00 C ATOM 520 C ASN A 112 -10.171 -8.599 6.672 1.00 0.00 C ATOM 521 O ASN A 112 -8.959 -8.385 6.635 1.00 0.00 O ATOM 522 CB ASN A 112 -10.507 -6.262 5.845 1.00 0.00 C ATOM 523 CG ASN A 112 -11.529 -5.145 5.767 1.00 0.00 C ATOM 524 OD1 ASN A 112 -12.340 -5.093 4.842 1.00 0.00 O ATOM 525 ND2 ASN A 112 -11.495 -4.243 6.742 1.00 0.00 N ATOM 0 H ASN A 112 -12.333 -6.831 7.555 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.425 -8.031 5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.832 -6.075 6.680 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.901 -6.260 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.158 -3.468 6.743 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.805 -4.325 7.489 1.00 0.00 H new ATOM 532 N LYS A 113 -10.699 -9.661 7.271 1.00 0.00 N ATOM 533 CA LYS A 113 -9.868 -10.659 7.933 1.00 0.00 C ATOM 534 C LYS A 113 -8.932 -11.337 6.936 1.00 0.00 C ATOM 535 O LYS A 113 -7.719 -11.381 7.140 1.00 0.00 O ATOM 536 CB LYS A 113 -10.744 -11.709 8.620 1.00 0.00 C ATOM 537 CG LYS A 113 -10.080 -12.365 9.819 1.00 0.00 C ATOM 538 CD LYS A 113 -10.363 -11.601 11.101 1.00 0.00 C ATOM 539 CE LYS A 113 -9.523 -10.336 11.192 1.00 0.00 C ATOM 540 NZ LYS A 113 -9.512 -9.776 12.572 1.00 0.00 N ATOM 0 H LYS A 113 -11.700 -9.853 7.311 1.00 0.00 H new ATOM 0 HA LYS A 113 -9.264 -10.150 8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.674 -11.240 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.009 -12.479 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -10.438 -13.390 9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.004 -12.418 9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -11.421 -11.341 11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.156 -12.239 11.960 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -8.502 -10.555 10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -9.914 -9.590 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.929 -8.915 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.484 -9.543 12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.115 -10.478 13.228 1.00 0.00 H new ATOM 554 N HIS A 114 -9.505 -11.862 5.858 1.00 0.00 N ATOM 555 CA HIS A 114 -8.721 -12.535 4.828 1.00 0.00 C ATOM 556 C HIS A 114 -7.700 -11.582 4.213 1.00 0.00 C ATOM 557 O HIS A 114 -6.493 -11.813 4.293 1.00 0.00 O ATOM 558 CB HIS A 114 -9.640 -13.089 3.738 1.00 0.00 C ATOM 559 CG HIS A 114 -8.978 -14.100 2.853 1.00 0.00 C ATOM 560 ND1 HIS A 114 -8.770 -14.104 1.516 1.00 0.00 N flip ATOM 561 CD2 HIS A 114 -8.441 -15.278 3.327 1.00 0.00 C flip ATOM 562 CE1 HIS A 114 -8.117 -15.272 1.209 1.00 0.00 C flip ATOM 563 NE2 HIS A 114 -7.930 -15.963 2.320 1.00 0.00 N flip ATOM 0 H HIS A 114 -10.508 -11.835 5.675 1.00 0.00 H new ATOM 0 HA HIS A 114 -8.185 -13.361 5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -10.512 -13.544 4.207 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.002 -12.263 3.125 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.439 -15.592 4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -7.807 -15.577 0.220 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -7.470 -16.871 2.388 1.00 0.00 H new ATOM 571 N LEU A 115 -8.192 -10.513 3.598 1.00 0.00 N ATOM 572 CA LEU A 115 -7.323 -9.525 2.968 1.00 0.00 C ATOM 573 C LEU A 115 -6.081 -9.272 3.817 1.00 0.00 C ATOM 574 O LEU A 115 -4.955 -9.337 3.323 1.00 0.00 O ATOM 575 CB LEU A 115 -8.081 -8.214 2.750 1.00 0.00 C ATOM 576 CG LEU A 115 -9.532 -8.347 2.287 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.062 -7.006 1.803 1.00 0.00 C ATOM 578 CD2 LEU A 115 -9.647 -9.396 1.190 1.00 0.00 C ATOM 0 H LEU A 115 -9.188 -10.308 3.522 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.007 -9.919 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.069 -7.651 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.538 -7.622 2.013 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.137 -8.669 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.096 -7.120 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.015 -6.281 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.455 -6.655 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.686 -9.478 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.030 -9.103 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.307 -10.359 1.571 1.00 0.00 H new ATOM 590 N TRP A 116 -6.294 -8.987 5.097 1.00 0.00 N ATOM 591 CA TRP A 116 -5.191 -8.727 6.015 1.00 0.00 C ATOM 592 C TRP A 116 -4.258 -9.930 6.099 1.00 0.00 C ATOM 593 O TRP A 116 -3.039 -9.776 6.176 1.00 0.00 O ATOM 594 CB TRP A 116 -5.728 -8.385 7.406 1.00 0.00 C ATOM 595 CG TRP A 116 -5.973 -6.919 7.604 1.00 0.00 C ATOM 596 CD1 TRP A 116 -7.168 -6.318 7.879 1.00 0.00 C ATOM 597 CD2 TRP A 116 -4.999 -5.872 7.540 1.00 0.00 C ATOM 598 NE1 TRP A 116 -6.995 -4.959 7.990 1.00 0.00 N ATOM 599 CE2 TRP A 116 -5.674 -4.660 7.787 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.623 -5.839 7.300 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.018 -3.432 7.799 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -2.973 -4.620 7.313 1.00 0.00 C ATOM 603 CH2 TRP A 116 -3.671 -3.430 7.561 1.00 0.00 C ATOM 0 H TRP A 116 -7.219 -8.930 5.522 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.625 -7.878 5.632 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.659 -8.927 7.572 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -5.019 -8.732 8.157 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -8.110 -6.834 7.992 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -7.731 -4.283 8.191 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -3.077 -6.751 7.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -5.554 -2.514 7.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.909 -4.583 7.129 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.134 -2.493 7.564 1.00 0.00 H new ATOM 614 N GLU A 117 -4.838 -11.126 6.085 1.00 0.00 N ATOM 615 CA GLU A 117 -4.056 -12.354 6.160 1.00 0.00 C ATOM 616 C GLU A 117 -3.236 -12.557 4.889 1.00 0.00 C ATOM 617 O GLU A 117 -2.015 -12.701 4.942 1.00 0.00 O ATOM 618 CB GLU A 117 -4.974 -13.557 6.384 1.00 0.00 C ATOM 619 CG GLU A 117 -5.455 -13.697 7.819 1.00 0.00 C ATOM 620 CD GLU A 117 -5.837 -15.122 8.170 1.00 0.00 C ATOM 621 OE1 GLU A 117 -6.978 -15.524 7.859 1.00 0.00 O ATOM 622 OE2 GLU A 117 -4.996 -15.835 8.757 1.00 0.00 O ATOM 0 H GLU A 117 -5.846 -11.270 6.022 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.371 -12.266 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.839 -13.471 5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.445 -14.466 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.671 -13.358 8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -6.315 -13.045 7.975 1.00 0.00 H new ATOM 629 N GLN A 118 -3.918 -12.566 3.748 1.00 0.00 N ATOM 630 CA GLN A 118 -3.253 -12.752 2.463 1.00 0.00 C ATOM 631 C GLN A 118 -2.128 -11.739 2.281 1.00 0.00 C ATOM 632 O GLN A 118 -1.028 -12.089 1.851 1.00 0.00 O ATOM 633 CB GLN A 118 -4.262 -12.623 1.320 1.00 0.00 C ATOM 634 CG GLN A 118 -5.071 -11.337 1.365 1.00 0.00 C ATOM 635 CD GLN A 118 -6.152 -11.291 0.303 1.00 0.00 C ATOM 636 OE1 GLN A 118 -5.805 -10.783 -0.874 1.00 0.00 O flip ATOM 637 NE2 GLN A 118 -7.287 -11.707 0.538 1.00 0.00 N flip ATOM 0 H GLN A 118 -4.929 -12.447 3.687 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.822 -13.753 2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.731 -12.675 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.944 -13.473 1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -5.529 -11.234 2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.402 -10.486 1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.510 -12.089 1.457 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.004 -11.669 -0.186 1.00 0.00 H new ATOM 646 N ILE A 119 -2.411 -10.483 2.609 1.00 0.00 N ATOM 647 CA ILE A 119 -1.422 -9.420 2.482 1.00 0.00 C ATOM 648 C ILE A 119 -0.179 -9.723 3.312 1.00 0.00 C ATOM 649 O ILE A 119 0.923 -9.847 2.776 1.00 0.00 O ATOM 650 CB ILE A 119 -1.998 -8.060 2.919 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.124 -7.632 1.976 1.00 0.00 C ATOM 652 CG2 ILE A 119 -0.901 -7.007 2.955 1.00 0.00 C ATOM 653 CD1 ILE A 119 -4.064 -6.612 2.580 1.00 0.00 C ATOM 0 H ILE A 119 -3.317 -10.177 2.965 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.149 -9.368 1.428 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.409 -8.162 3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.688 -7.218 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.696 -8.512 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.324 -6.052 3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.129 -7.310 3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.463 -6.904 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.837 -6.355 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.529 -7.029 3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.505 -5.715 2.847 1.00 0.00 H new ATOM 665 N SER A 120 -0.364 -9.842 4.623 1.00 0.00 N ATOM 666 CA SER A 120 0.743 -10.129 5.528 1.00 0.00 C ATOM 667 C SER A 120 1.617 -11.252 4.979 1.00 0.00 C ATOM 668 O SER A 120 2.844 -11.150 4.966 1.00 0.00 O ATOM 669 CB SER A 120 0.212 -10.510 6.911 1.00 0.00 C ATOM 670 OG SER A 120 -0.740 -11.555 6.822 1.00 0.00 O ATOM 0 H SER A 120 -1.270 -9.744 5.082 1.00 0.00 H new ATOM 0 HA SER A 120 1.352 -9.229 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.040 -10.821 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.243 -9.639 7.382 1.00 0.00 H new ATOM 0 HG SER A 120 -1.152 -11.547 5.933 1.00 0.00 H new ATOM 676 N SER A 121 0.976 -12.325 4.525 1.00 0.00 N ATOM 677 CA SER A 121 1.693 -13.470 3.978 1.00 0.00 C ATOM 678 C SER A 121 2.414 -13.093 2.687 1.00 0.00 C ATOM 679 O SER A 121 3.552 -13.502 2.454 1.00 0.00 O ATOM 680 CB SER A 121 0.727 -14.627 3.717 1.00 0.00 C ATOM 681 OG SER A 121 1.429 -15.814 3.391 1.00 0.00 O ATOM 0 H SER A 121 -0.039 -12.425 4.526 1.00 0.00 H new ATOM 0 HA SER A 121 2.436 -13.785 4.710 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.110 -14.796 4.600 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.052 -14.365 2.902 1.00 0.00 H new ATOM 0 HG SER A 121 0.789 -16.539 3.230 1.00 0.00 H new ATOM 687 N LYS A 122 1.743 -12.310 1.849 1.00 0.00 N ATOM 688 CA LYS A 122 2.317 -11.875 0.581 1.00 0.00 C ATOM 689 C LYS A 122 3.551 -11.009 0.811 1.00 0.00 C ATOM 690 O LYS A 122 4.659 -11.375 0.419 1.00 0.00 O ATOM 691 CB LYS A 122 1.280 -11.097 -0.232 1.00 0.00 C ATOM 692 CG LYS A 122 0.127 -11.954 -0.726 1.00 0.00 C ATOM 693 CD LYS A 122 0.433 -12.574 -2.079 1.00 0.00 C ATOM 694 CE LYS A 122 -0.838 -12.836 -2.872 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.558 -13.012 -4.324 1.00 0.00 N ATOM 0 H LYS A 122 0.800 -11.963 2.025 1.00 0.00 H new ATOM 0 HA LYS A 122 2.616 -12.762 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.883 -10.287 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.773 -10.637 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.078 -12.742 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.775 -11.346 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.086 -11.910 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.974 -13.509 -1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -1.330 -13.729 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.530 -12.006 -2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.449 -13.189 -4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.112 -12.150 -4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.083 -13.820 -4.459 1.00 0.00 H new ATOM 709 N MET A 123 3.352 -9.861 1.450 1.00 0.00 N ATOM 710 CA MET A 123 4.451 -8.945 1.735 1.00 0.00 C ATOM 711 C MET A 123 5.574 -9.658 2.480 1.00 0.00 C ATOM 712 O MET A 123 6.747 -9.313 2.332 1.00 0.00 O ATOM 713 CB MET A 123 3.952 -7.756 2.558 1.00 0.00 C ATOM 714 CG MET A 123 3.487 -8.135 3.954 1.00 0.00 C ATOM 715 SD MET A 123 4.835 -8.161 5.152 1.00 0.00 S ATOM 716 CE MET A 123 5.439 -6.480 5.017 1.00 0.00 C ATOM 0 H MET A 123 2.441 -9.543 1.780 1.00 0.00 H new ATOM 0 HA MET A 123 4.843 -8.581 0.785 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.751 -7.019 2.638 1.00 0.00 H new ATOM 0 HB3 MET A 123 3.129 -7.277 2.027 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.726 -7.427 4.284 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.016 -9.117 3.922 1.00 0.00 H new ATOM 0 HE1 MET A 123 5.840 -6.159 5.979 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.225 -6.435 4.263 1.00 0.00 H new ATOM 0 HE3 MET A 123 4.620 -5.821 4.727 1.00 0.00 H new ATOM 726 N ARG A 124 5.209 -10.653 3.281 1.00 0.00 N ATOM 727 CA ARG A 124 6.186 -11.413 4.051 1.00 0.00 C ATOM 728 C ARG A 124 6.977 -12.354 3.146 1.00 0.00 C ATOM 729 O ARG A 124 8.202 -12.428 3.232 1.00 0.00 O ATOM 730 CB ARG A 124 5.489 -12.214 5.152 1.00 0.00 C ATOM 731 CG ARG A 124 6.451 -12.926 6.089 1.00 0.00 C ATOM 732 CD ARG A 124 5.795 -14.128 6.752 1.00 0.00 C ATOM 733 NE ARG A 124 4.714 -13.735 7.652 1.00 0.00 N ATOM 734 CZ ARG A 124 3.769 -14.568 8.072 1.00 0.00 C ATOM 735 NH1 ARG A 124 3.772 -15.833 7.678 1.00 0.00 N ATOM 736 NH2 ARG A 124 2.818 -14.135 8.891 1.00 0.00 N ATOM 0 H ARG A 124 4.243 -10.952 3.414 1.00 0.00 H new ATOM 0 HA ARG A 124 6.879 -10.707 4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.858 -11.542 5.734 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.831 -12.951 4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.330 -13.251 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.797 -12.231 6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.403 -14.796 5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.545 -14.689 7.310 1.00 0.00 H new ATOM 0 HE ARG A 124 4.683 -12.768 7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.502 -16.170 7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.045 -16.470 8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 124 2.813 -13.162 9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.092 -14.775 9.213 1.00 0.00 H new ATOM 750 N GLU A 125 6.266 -13.071 2.281 1.00 0.00 N ATOM 751 CA GLU A 125 6.903 -14.008 1.363 1.00 0.00 C ATOM 752 C GLU A 125 8.124 -13.377 0.701 1.00 0.00 C ATOM 753 O GLU A 125 9.190 -13.989 0.627 1.00 0.00 O ATOM 754 CB GLU A 125 5.908 -14.463 0.293 1.00 0.00 C ATOM 755 CG GLU A 125 4.977 -15.570 0.758 1.00 0.00 C ATOM 756 CD GLU A 125 5.539 -16.954 0.495 1.00 0.00 C ATOM 757 OE1 GLU A 125 6.409 -17.398 1.272 1.00 0.00 O ATOM 758 OE2 GLU A 125 5.109 -17.592 -0.489 1.00 0.00 O ATOM 0 H GLU A 125 5.251 -13.021 2.197 1.00 0.00 H new ATOM 0 HA GLU A 125 7.230 -14.874 1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.312 -13.607 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.460 -14.808 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 125 4.787 -15.456 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 125 4.017 -15.469 0.251 1.00 0.00 H new ATOM 765 N LYS A 126 7.961 -12.149 0.221 1.00 0.00 N ATOM 766 CA LYS A 126 9.049 -11.433 -0.435 1.00 0.00 C ATOM 767 C LYS A 126 10.363 -11.636 0.313 1.00 0.00 C ATOM 768 O LYS A 126 11.399 -11.902 -0.294 1.00 0.00 O ATOM 769 CB LYS A 126 8.725 -9.940 -0.521 1.00 0.00 C ATOM 770 CG LYS A 126 7.452 -9.637 -1.293 1.00 0.00 C ATOM 771 CD LYS A 126 7.660 -9.785 -2.791 1.00 0.00 C ATOM 772 CE LYS A 126 8.354 -8.567 -3.380 1.00 0.00 C ATOM 773 NZ LYS A 126 8.751 -8.787 -4.798 1.00 0.00 N ATOM 0 H LYS A 126 7.085 -11.628 0.274 1.00 0.00 H new ATOM 0 HA LYS A 126 9.159 -11.834 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.632 -9.538 0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.559 -9.422 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.659 -10.309 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.122 -8.623 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.255 -10.676 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.697 -9.929 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.690 -7.705 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 126 9.238 -8.331 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 9.221 -7.934 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 9.405 -9.594 -4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.905 -8.987 -5.368 1.00 0.00 H new ATOM 787 N GLY A 127 10.311 -11.510 1.636 1.00 0.00 N ATOM 788 CA GLY A 127 11.504 -11.685 2.444 1.00 0.00 C ATOM 789 C GLY A 127 11.510 -10.791 3.669 1.00 0.00 C ATOM 790 O GLY A 127 12.560 -10.296 4.079 1.00 0.00 O ATOM 0 H GLY A 127 9.465 -11.290 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.577 -12.726 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.384 -11.472 1.838 1.00 0.00 H new ATOM 794 N PHE A 128 10.335 -10.582 4.253 1.00 0.00 N ATOM 795 CA PHE A 128 10.209 -9.739 5.436 1.00 0.00 C ATOM 796 C PHE A 128 9.323 -10.404 6.485 1.00 0.00 C ATOM 797 O PHE A 128 8.099 -10.434 6.351 1.00 0.00 O ATOM 798 CB PHE A 128 9.633 -8.373 5.057 1.00 0.00 C ATOM 799 CG PHE A 128 10.279 -7.766 3.844 1.00 0.00 C ATOM 800 CD1 PHE A 128 11.426 -6.999 3.965 1.00 0.00 C ATOM 801 CD2 PHE A 128 9.739 -7.963 2.583 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.022 -6.439 2.851 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.331 -7.406 1.465 1.00 0.00 C ATOM 804 CZ PHE A 128 11.475 -6.643 1.600 1.00 0.00 C ATOM 0 H PHE A 128 9.457 -10.985 3.926 1.00 0.00 H new ATOM 0 HA PHE A 128 11.203 -9.600 5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.563 -8.476 4.876 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.749 -7.692 5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.859 -6.837 4.941 1.00 0.00 H new ATOM 0 HD2 PHE A 128 8.845 -8.559 2.472 1.00 0.00 H new ATOM 0 HE1 PHE A 128 12.915 -5.842 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 128 9.900 -7.567 0.488 1.00 0.00 H new ATOM 0 HZ PHE A 128 11.940 -6.207 0.728 1.00 0.00 H new ATOM 814 N ASP A 129 9.949 -10.935 7.529 1.00 0.00 N ATOM 815 CA ASP A 129 9.218 -11.599 8.603 1.00 0.00 C ATOM 816 C ASP A 129 8.521 -10.579 9.498 1.00 0.00 C ATOM 817 O ASP A 129 9.149 -9.962 10.359 1.00 0.00 O ATOM 818 CB ASP A 129 10.166 -12.463 9.436 1.00 0.00 C ATOM 819 CG ASP A 129 9.437 -13.273 10.489 1.00 0.00 C ATOM 820 OD1 ASP A 129 8.423 -13.916 10.145 1.00 0.00 O ATOM 821 OD2 ASP A 129 9.879 -13.264 11.657 1.00 0.00 O ATOM 0 H ASP A 129 10.961 -10.919 7.655 1.00 0.00 H new ATOM 0 HA ASP A 129 8.459 -12.238 8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.712 -13.138 8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.904 -11.824 9.920 1.00 0.00 H new ATOM 826 N ARG A 130 7.221 -10.405 9.287 1.00 0.00 N ATOM 827 CA ARG A 130 6.439 -9.458 10.073 1.00 0.00 C ATOM 828 C ARG A 130 5.045 -10.009 10.359 1.00 0.00 C ATOM 829 O ARG A 130 4.499 -10.783 9.573 1.00 0.00 O ATOM 830 CB ARG A 130 6.330 -8.121 9.338 1.00 0.00 C ATOM 831 CG ARG A 130 7.657 -7.395 9.194 1.00 0.00 C ATOM 832 CD ARG A 130 7.939 -6.505 10.394 1.00 0.00 C ATOM 833 NE ARG A 130 9.306 -5.993 10.387 1.00 0.00 N ATOM 834 CZ ARG A 130 9.704 -4.969 9.639 1.00 0.00 C ATOM 835 NH1 ARG A 130 8.842 -4.352 8.843 1.00 0.00 N ATOM 836 NH2 ARG A 130 10.966 -4.561 9.687 1.00 0.00 N ATOM 0 H ARG A 130 6.687 -10.907 8.578 1.00 0.00 H new ATOM 0 HA ARG A 130 6.951 -9.302 11.023 1.00 0.00 H new ATOM 0 HB2 ARG A 130 5.911 -8.294 8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.630 -7.478 9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 130 8.461 -8.123 9.083 1.00 0.00 H new ATOM 0 HG3 ARG A 130 7.646 -6.791 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 130 7.239 -5.669 10.398 1.00 0.00 H new ATOM 0 HD3 ARG A 130 7.768 -7.068 11.311 1.00 0.00 H new ATOM 0 HE ARG A 130 9.993 -6.446 10.989 1.00 0.00 H new ATOM 0 HH11 ARG A 130 7.871 -4.663 8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 130 9.149 -3.566 8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.632 -5.033 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 130 11.270 -3.775 9.112 1.00 0.00 H new ATOM 850 N SER A 131 4.476 -9.606 11.491 1.00 0.00 N ATOM 851 CA SER A 131 3.148 -10.062 11.883 1.00 0.00 C ATOM 852 C SER A 131 2.067 -9.163 11.291 1.00 0.00 C ATOM 853 O SER A 131 2.308 -8.006 10.943 1.00 0.00 O ATOM 854 CB SER A 131 3.025 -10.090 13.408 1.00 0.00 C ATOM 855 OG SER A 131 3.540 -11.298 13.939 1.00 0.00 O ATOM 0 H SER A 131 4.914 -8.965 12.152 1.00 0.00 H new ATOM 0 HA SER A 131 3.009 -11.071 11.495 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.562 -9.243 13.835 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.979 -9.980 13.694 1.00 0.00 H new ATOM 0 HG SER A 131 3.451 -11.290 14.915 1.00 0.00 H new ATOM 861 N PRO A 132 0.846 -9.706 11.172 1.00 0.00 N ATOM 862 CA PRO A 132 -0.297 -8.971 10.622 1.00 0.00 C ATOM 863 C PRO A 132 -0.774 -7.860 11.552 1.00 0.00 C ATOM 864 O PRO A 132 -1.098 -6.760 11.105 1.00 0.00 O ATOM 865 CB PRO A 132 -1.375 -10.048 10.478 1.00 0.00 C ATOM 866 CG PRO A 132 -1.014 -11.082 11.488 1.00 0.00 C ATOM 867 CD PRO A 132 0.487 -11.078 11.566 1.00 0.00 C ATOM 0 HA PRO A 132 -0.048 -8.470 9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -2.369 -9.641 10.666 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.386 -10.465 9.471 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.456 -10.852 12.457 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.387 -12.063 11.193 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.838 -11.312 12.571 1.00 0.00 H new ATOM 0 HD3 PRO A 132 0.926 -11.816 10.895 1.00 0.00 H new ATOM 875 N ASP A 133 -0.813 -8.156 12.847 1.00 0.00 N ATOM 876 CA ASP A 133 -1.249 -7.181 13.840 1.00 0.00 C ATOM 877 C ASP A 133 -0.510 -5.858 13.664 1.00 0.00 C ATOM 878 O ASP A 133 -1.113 -4.787 13.720 1.00 0.00 O ATOM 879 CB ASP A 133 -1.021 -7.723 15.252 1.00 0.00 C ATOM 880 CG ASP A 133 -1.626 -6.833 16.319 1.00 0.00 C ATOM 881 OD1 ASP A 133 -2.735 -6.304 16.092 1.00 0.00 O ATOM 882 OD2 ASP A 133 -0.993 -6.667 17.382 1.00 0.00 O ATOM 0 H ASP A 133 -0.548 -9.062 13.233 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.315 -7.003 13.695 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -1.452 -8.721 15.329 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.050 -7.823 15.431 1.00 0.00 H new ATOM 887 N MET A 134 0.800 -5.941 13.454 1.00 0.00 N ATOM 888 CA MET A 134 1.621 -4.750 13.270 1.00 0.00 C ATOM 889 C MET A 134 1.210 -3.996 12.009 1.00 0.00 C ATOM 890 O MET A 134 1.076 -2.772 12.022 1.00 0.00 O ATOM 891 CB MET A 134 3.100 -5.132 13.191 1.00 0.00 C ATOM 892 CG MET A 134 3.602 -5.877 14.417 1.00 0.00 C ATOM 893 SD MET A 134 3.437 -4.913 15.932 1.00 0.00 S ATOM 894 CE MET A 134 4.959 -3.969 15.900 1.00 0.00 C ATOM 0 H MET A 134 1.315 -6.820 13.407 1.00 0.00 H new ATOM 0 HA MET A 134 1.467 -4.096 14.129 1.00 0.00 H new ATOM 0 HB2 MET A 134 3.260 -5.752 12.309 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.694 -4.228 13.057 1.00 0.00 H new ATOM 0 HG2 MET A 134 3.048 -6.810 14.522 1.00 0.00 H new ATOM 0 HG3 MET A 134 4.649 -6.143 14.272 1.00 0.00 H new ATOM 0 HE1 MET A 134 5.004 -3.322 16.776 1.00 0.00 H new ATOM 0 HE2 MET A 134 5.810 -4.650 15.907 1.00 0.00 H new ATOM 0 HE3 MET A 134 4.990 -3.359 14.997 1.00 0.00 H new ATOM 904 N CYS A 135 1.013 -4.734 10.922 1.00 0.00 N ATOM 905 CA CYS A 135 0.619 -4.134 9.652 1.00 0.00 C ATOM 906 C CYS A 135 -0.679 -3.348 9.801 1.00 0.00 C ATOM 907 O CYS A 135 -0.858 -2.299 9.181 1.00 0.00 O ATOM 908 CB CYS A 135 0.455 -5.216 8.583 1.00 0.00 C ATOM 909 SG CYS A 135 1.881 -6.315 8.419 1.00 0.00 S ATOM 0 H CYS A 135 1.120 -5.748 10.895 1.00 0.00 H new ATOM 0 HA CYS A 135 1.406 -3.445 9.344 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.425 -5.814 8.819 1.00 0.00 H new ATOM 0 HB3 CYS A 135 0.267 -4.737 7.622 1.00 0.00 H new ATOM 0 HG CYS A 135 2.087 -6.930 9.546 1.00 0.00 H new ATOM 915 N THR A 136 -1.585 -3.863 10.628 1.00 0.00 N ATOM 916 CA THR A 136 -2.868 -3.211 10.857 1.00 0.00 C ATOM 917 C THR A 136 -2.697 -1.931 11.667 1.00 0.00 C ATOM 918 O THR A 136 -3.242 -0.885 11.315 1.00 0.00 O ATOM 919 CB THR A 136 -3.848 -4.144 11.592 1.00 0.00 C ATOM 920 OG1 THR A 136 -3.874 -5.427 10.956 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.249 -3.552 11.609 1.00 0.00 C ATOM 0 H THR A 136 -1.453 -4.729 11.150 1.00 0.00 H new ATOM 0 HA THR A 136 -3.278 -2.965 9.877 1.00 0.00 H new ATOM 0 HB THR A 136 -3.506 -4.256 12.621 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.026 -5.891 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 136 -5.924 -4.229 12.133 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.231 -2.589 12.120 1.00 0.00 H new ATOM 0 HG23 THR A 136 -5.598 -3.413 10.586 1.00 0.00 H new ATOM 929 N ASP A 137 -1.939 -2.021 12.754 1.00 0.00 N ATOM 930 CA ASP A 137 -1.695 -0.869 13.614 1.00 0.00 C ATOM 931 C ASP A 137 -0.978 0.238 12.848 1.00 0.00 C ATOM 932 O ASP A 137 -1.422 1.387 12.835 1.00 0.00 O ATOM 933 CB ASP A 137 -0.868 -1.282 14.833 1.00 0.00 C ATOM 934 CG ASP A 137 -0.784 -0.183 15.874 1.00 0.00 C ATOM 935 OD1 ASP A 137 -0.312 0.922 15.533 1.00 0.00 O ATOM 936 OD2 ASP A 137 -1.189 -0.428 17.030 1.00 0.00 O ATOM 0 H ASP A 137 -1.483 -2.880 13.061 1.00 0.00 H new ATOM 0 HA ASP A 137 -2.659 -0.487 13.951 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.308 -2.172 15.283 1.00 0.00 H new ATOM 0 HB3 ASP A 137 0.138 -1.552 14.512 1.00 0.00 H new ATOM 941 N LYS A 138 0.135 -0.113 12.213 1.00 0.00 N ATOM 942 CA LYS A 138 0.915 0.850 11.444 1.00 0.00 C ATOM 943 C LYS A 138 0.053 1.522 10.380 1.00 0.00 C ATOM 944 O LYS A 138 0.105 2.739 10.204 1.00 0.00 O ATOM 945 CB LYS A 138 2.111 0.159 10.786 1.00 0.00 C ATOM 946 CG LYS A 138 2.985 1.099 9.974 1.00 0.00 C ATOM 947 CD LYS A 138 3.873 1.947 10.869 1.00 0.00 C ATOM 948 CE LYS A 138 4.939 2.677 10.066 1.00 0.00 C ATOM 949 NZ LYS A 138 5.562 3.781 10.847 1.00 0.00 N ATOM 0 H LYS A 138 0.518 -1.058 12.216 1.00 0.00 H new ATOM 0 HA LYS A 138 1.278 1.616 12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.718 -0.312 11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.748 -0.638 10.137 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.604 0.520 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 138 2.355 1.748 9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.262 2.671 11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.350 1.313 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.709 1.970 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.495 3.081 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.283 4.254 10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.831 4.469 11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.008 3.392 11.703 1.00 0.00 H new ATOM 963 N TRP A 139 -0.738 0.722 9.674 1.00 0.00 N ATOM 964 CA TRP A 139 -1.611 1.240 8.628 1.00 0.00 C ATOM 965 C TRP A 139 -2.563 2.293 9.185 1.00 0.00 C ATOM 966 O TRP A 139 -2.721 3.368 8.607 1.00 0.00 O ATOM 967 CB TRP A 139 -2.408 0.102 7.989 1.00 0.00 C ATOM 968 CG TRP A 139 -3.502 0.578 7.081 1.00 0.00 C ATOM 969 CD1 TRP A 139 -4.829 0.683 7.382 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.360 1.011 5.724 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.522 1.156 6.294 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.644 1.366 5.264 1.00 0.00 C ATOM 973 CE3 TRP A 139 -2.275 1.136 4.853 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.868 1.835 3.973 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -2.499 1.602 3.571 1.00 0.00 C ATOM 976 CH2 TRP A 139 -3.787 1.947 3.141 1.00 0.00 C ATOM 0 H TRP A 139 -0.792 -0.288 9.807 1.00 0.00 H new ATOM 0 HA TRP A 139 -0.986 1.708 7.867 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.728 -0.535 7.423 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -2.842 -0.515 8.776 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.270 0.431 8.335 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.528 1.324 6.259 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -1.278 0.873 5.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.860 2.101 3.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.667 1.702 2.889 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -3.930 2.308 2.133 1.00 0.00 H new ATOM 987 N ARG A 140 -3.194 1.977 10.311 1.00 0.00 N ATOM 988 CA ARG A 140 -4.131 2.896 10.946 1.00 0.00 C ATOM 989 C ARG A 140 -3.493 4.267 11.151 1.00 0.00 C ATOM 990 O ARG A 140 -4.069 5.292 10.787 1.00 0.00 O ATOM 991 CB ARG A 140 -4.599 2.334 12.289 1.00 0.00 C ATOM 992 CG ARG A 140 -5.737 1.333 12.167 1.00 0.00 C ATOM 993 CD ARG A 140 -5.858 0.474 13.416 1.00 0.00 C ATOM 994 NE ARG A 140 -6.639 1.132 14.460 1.00 0.00 N ATOM 995 CZ ARG A 140 -7.163 0.493 15.500 1.00 0.00 C ATOM 996 NH1 ARG A 140 -6.990 -0.815 15.633 1.00 0.00 N ATOM 997 NH2 ARG A 140 -7.860 1.162 16.409 1.00 0.00 N ATOM 0 H ARG A 140 -3.073 1.091 10.802 1.00 0.00 H new ATOM 0 HA ARG A 140 -4.992 3.009 10.288 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -3.756 1.854 12.786 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -4.918 3.158 12.927 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.674 1.864 11.997 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.570 0.695 11.299 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.326 -0.476 13.158 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -4.862 0.246 13.797 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.791 2.138 14.386 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.454 -1.332 14.936 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -7.393 -1.304 16.432 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.994 2.168 16.310 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.262 0.670 17.207 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.300 4.278 11.736 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.584 5.522 11.990 1.00 0.00 C ATOM 1013 C ASN A 141 -1.274 6.248 10.685 1.00 0.00 C ATOM 1014 O ASN A 141 -1.455 7.462 10.578 1.00 0.00 O ATOM 1015 CB ASN A 141 -0.287 5.243 12.752 1.00 0.00 C ATOM 1016 CG ASN A 141 0.271 6.485 13.419 1.00 0.00 C ATOM 1017 OD1 ASN A 141 -0.417 7.498 13.545 1.00 0.00 O ATOM 1018 ND2 ASN A 141 1.525 6.412 13.850 1.00 0.00 N ATOM 0 H ASN A 141 -1.809 3.439 12.043 1.00 0.00 H new ATOM 0 HA ASN A 141 -2.224 6.162 12.598 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -0.470 4.479 13.508 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.456 4.839 12.064 1.00 0.00 H new ATOM 0 HD21 ASN A 141 1.955 7.216 14.307 1.00 0.00 H new ATOM 0 HD22 ASN A 141 2.058 5.552 13.724 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.805 5.497 9.694 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.471 6.068 8.394 1.00 0.00 C ATOM 1027 C LEU A 142 -1.635 6.883 7.841 1.00 0.00 C ATOM 1028 O LEU A 142 -1.439 7.952 7.260 1.00 0.00 O ATOM 1029 CB LEU A 142 -0.096 4.959 7.409 1.00 0.00 C ATOM 1030 CG LEU A 142 1.214 4.223 7.693 1.00 0.00 C ATOM 1031 CD1 LEU A 142 1.278 2.924 6.905 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.406 5.110 7.362 1.00 0.00 C ATOM 0 H LEU A 142 -0.648 4.492 9.766 1.00 0.00 H new ATOM 0 HA LEU A 142 0.383 6.733 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -0.904 4.228 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -0.037 5.392 6.411 1.00 0.00 H new ATOM 0 HG LEU A 142 1.250 3.981 8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.217 2.414 7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 142 0.444 2.284 7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.219 3.142 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.330 4.570 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.375 5.383 6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.368 6.013 7.971 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.848 6.374 8.026 1.00 0.00 N ATOM 1045 CA LEU A 143 -4.045 7.056 7.548 1.00 0.00 C ATOM 1046 C LEU A 143 -4.301 8.331 8.345 1.00 0.00 C ATOM 1047 O LEU A 143 -4.450 9.413 7.776 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.258 6.128 7.646 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.129 4.779 6.939 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.280 3.862 7.325 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.080 4.969 5.430 1.00 0.00 C ATOM 0 H LEU A 143 -3.028 5.491 8.504 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.886 7.328 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.466 5.945 8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.123 6.649 7.236 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.197 4.312 7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.172 2.906 6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.269 3.699 8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.225 4.323 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.988 3.998 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.995 5.457 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.222 5.588 5.169 1.00 0.00 H new ATOM 1063 N LYS A 144 -4.348 8.198 9.666 1.00 0.00 N ATOM 1064 CA LYS A 144 -4.582 9.339 10.543 1.00 0.00 C ATOM 1065 C LYS A 144 -3.766 10.547 10.093 1.00 0.00 C ATOM 1066 O LYS A 144 -4.282 11.662 10.018 1.00 0.00 O ATOM 1067 CB LYS A 144 -4.226 8.980 11.987 1.00 0.00 C ATOM 1068 CG LYS A 144 -5.046 7.830 12.548 1.00 0.00 C ATOM 1069 CD LYS A 144 -4.514 7.372 13.895 1.00 0.00 C ATOM 1070 CE LYS A 144 -5.042 8.240 15.027 1.00 0.00 C ATOM 1071 NZ LYS A 144 -4.971 7.543 16.341 1.00 0.00 N ATOM 0 H LYS A 144 -4.227 7.310 10.153 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.640 9.596 10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.169 8.720 12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.369 9.858 12.617 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.086 8.140 12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -5.031 6.995 11.847 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.800 6.334 14.067 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -3.425 7.405 13.887 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -4.466 9.164 15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.075 8.519 14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -5.340 8.168 17.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.541 6.674 16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.982 7.300 16.552 1.00 0.00 H new ATOM 1085 N GLU A 145 -2.492 10.317 9.793 1.00 0.00 N ATOM 1086 CA GLU A 145 -1.607 11.387 9.349 1.00 0.00 C ATOM 1087 C GLU A 145 -1.985 11.861 7.949 1.00 0.00 C ATOM 1088 O GLU A 145 -1.980 13.059 7.665 1.00 0.00 O ATOM 1089 CB GLU A 145 -0.151 10.914 9.363 1.00 0.00 C ATOM 1090 CG GLU A 145 0.410 10.712 10.761 1.00 0.00 C ATOM 1091 CD GLU A 145 0.711 12.022 11.464 1.00 0.00 C ATOM 1092 OE1 GLU A 145 -0.214 12.850 11.595 1.00 0.00 O ATOM 1093 OE2 GLU A 145 1.871 12.218 11.882 1.00 0.00 O ATOM 0 H GLU A 145 -2.050 9.400 9.849 1.00 0.00 H new ATOM 0 HA GLU A 145 -1.717 12.224 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -0.077 9.976 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.464 11.643 8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.303 10.140 11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.322 10.119 10.700 1.00 0.00 H new ATOM 1100 N PHE A 146 -2.314 10.913 7.078 1.00 0.00 N ATOM 1101 CA PHE A 146 -2.694 11.233 5.707 1.00 0.00 C ATOM 1102 C PHE A 146 -3.921 12.140 5.681 1.00 0.00 C ATOM 1103 O PHE A 146 -4.004 13.068 4.876 1.00 0.00 O ATOM 1104 CB PHE A 146 -2.977 9.950 4.922 1.00 0.00 C ATOM 1105 CG PHE A 146 -1.735 9.251 4.449 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -0.742 9.950 3.781 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.560 7.895 4.671 1.00 0.00 C ATOM 1108 CE1 PHE A 146 0.402 9.310 3.344 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.418 7.249 4.237 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.564 7.957 3.571 1.00 0.00 C ATOM 0 H PHE A 146 -2.325 9.917 7.297 1.00 0.00 H new ATOM 0 HA PHE A 146 -1.863 11.761 5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.551 9.269 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.600 10.191 4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -0.864 11.008 3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.325 7.336 5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 146 1.169 9.867 2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.293 6.192 4.418 1.00 0.00 H new ATOM 0 HZ PHE A 146 1.456 7.454 3.229 1.00 0.00 H new