USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 434 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 30 ASN : amide:sc= -2.99! C(o=-6.7!,f=-7.1!) USER MOD Set 1.2: A 41 MET CE :methyl 136:sc= -3.74! (180deg=-6.3!) USER MOD Single : A 12 MET CE :methyl 167:sc= -0.94 (180deg=-1.09) USER MOD Single : A 13 ASN : amide:sc= -3.23 K(o=-3.2,f=-9.7!) USER MOD Single : A 16 MET CE :methyl -131:sc= -0.413 (180deg=-1.43!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00599 K(o=-0.006,f=-0.76) USER MOD Single : A 29 GLN : amide:sc=-0.00192 X(o=-0.0019,f=-0.36) USER MOD Single : A 34 HIS : no HD1:sc= -5.32! C(o=-5.3!,f=-4.2!) USER MOD Single : A 35 ASN : amide:sc= 1.09 K(o=1.1,f=-5.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.878 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -1.869 4.929 -5.459 1.00 0.00 N ATOM 148 CA MET A 12 -2.595 4.093 -4.509 1.00 0.00 C ATOM 149 C MET A 12 -3.191 4.938 -3.387 1.00 0.00 C ATOM 150 O MET A 12 -2.637 5.971 -3.014 1.00 0.00 O ATOM 151 CB MET A 12 -1.668 3.027 -3.924 1.00 0.00 C ATOM 152 CG MET A 12 -0.560 2.597 -4.872 1.00 0.00 C ATOM 153 SD MET A 12 0.165 1.009 -4.420 1.00 0.00 S ATOM 154 CE MET A 12 0.828 1.389 -2.800 1.00 0.00 C ATOM 0 HA MET A 12 -3.409 3.602 -5.042 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.221 3.410 -3.006 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.260 2.154 -3.650 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.958 2.535 -5.885 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.220 3.358 -4.882 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.101 0.464 -2.293 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.711 2.019 -2.907 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.075 1.916 -2.213 1.00 0.00 H new ATOM 164 N ASN A 13 -4.323 4.490 -2.853 1.00 0.00 N ATOM 165 CA ASN A 13 -4.994 5.206 -1.774 1.00 0.00 C ATOM 166 C ASN A 13 -4.558 4.671 -0.413 1.00 0.00 C ATOM 167 O ASN A 13 -3.669 3.825 -0.323 1.00 0.00 O ATOM 168 CB ASN A 13 -6.512 5.084 -1.920 1.00 0.00 C ATOM 169 CG ASN A 13 -7.034 3.747 -1.429 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.626 3.656 -0.353 1.00 0.00 O ATOM 171 ND2 ASN A 13 -6.817 2.702 -2.219 1.00 0.00 N ATOM 0 H ASN A 13 -4.794 3.635 -3.150 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.713 6.257 -1.839 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.994 5.886 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.785 5.216 -2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.146 1.777 -1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.322 2.825 -3.102 1.00 0.00 H new ATOM 178 N ALA A 14 -5.191 5.170 0.643 1.00 0.00 N ATOM 179 CA ALA A 14 -4.871 4.741 1.999 1.00 0.00 C ATOM 180 C ALA A 14 -5.012 3.230 2.144 1.00 0.00 C ATOM 181 O ALA A 14 -4.121 2.560 2.667 1.00 0.00 O ATOM 182 CB ALA A 14 -5.763 5.456 3.003 1.00 0.00 C ATOM 0 H ALA A 14 -5.929 5.872 0.586 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.833 5.003 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.513 5.126 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.609 6.532 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.807 5.223 2.793 1.00 0.00 H new ATOM 188 N PHE A 15 -6.138 2.698 1.679 1.00 0.00 N ATOM 189 CA PHE A 15 -6.397 1.265 1.759 1.00 0.00 C ATOM 190 C PHE A 15 -5.319 0.476 1.021 1.00 0.00 C ATOM 191 O PHE A 15 -4.720 -0.444 1.576 1.00 0.00 O ATOM 192 CB PHE A 15 -7.773 0.941 1.174 1.00 0.00 C ATOM 193 CG PHE A 15 -7.957 -0.513 0.846 1.00 0.00 C ATOM 194 CD1 PHE A 15 -8.424 -1.399 1.804 1.00 0.00 C ATOM 195 CD2 PHE A 15 -7.663 -0.995 -0.419 1.00 0.00 C ATOM 196 CE1 PHE A 15 -8.595 -2.738 1.506 1.00 0.00 C ATOM 197 CE2 PHE A 15 -7.833 -2.332 -0.723 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.298 -3.205 0.241 1.00 0.00 C ATOM 0 H PHE A 15 -6.886 3.238 1.243 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.379 0.975 2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.542 1.245 1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.923 1.531 0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.657 -1.039 2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.297 -0.318 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.960 -3.418 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.602 -2.694 -1.714 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.429 -4.251 0.006 1.00 0.00 H new ATOM 208 N MET A 16 -5.080 0.843 -0.233 1.00 0.00 N ATOM 209 CA MET A 16 -4.074 0.170 -1.048 1.00 0.00 C ATOM 210 C MET A 16 -2.714 0.189 -0.357 1.00 0.00 C ATOM 211 O MET A 16 -2.142 -0.860 -0.061 1.00 0.00 O ATOM 212 CB MET A 16 -3.972 0.835 -2.422 1.00 0.00 C ATOM 213 CG MET A 16 -5.144 0.521 -3.337 1.00 0.00 C ATOM 214 SD MET A 16 -4.875 -0.962 -4.327 1.00 0.00 S ATOM 215 CE MET A 16 -3.426 -0.485 -5.265 1.00 0.00 C ATOM 0 H MET A 16 -5.569 1.602 -0.708 1.00 0.00 H new ATOM 0 HA MET A 16 -4.381 -0.868 -1.178 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.904 1.915 -2.290 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.049 0.514 -2.904 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.045 0.394 -2.736 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.320 1.368 -4.000 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.590 -0.698 -6.321 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.243 0.581 -5.134 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.562 -1.048 -4.911 1.00 0.00 H new ATOM 225 N VAL A 17 -2.201 1.389 -0.105 1.00 0.00 N ATOM 226 CA VAL A 17 -0.908 1.545 0.551 1.00 0.00 C ATOM 227 C VAL A 17 -0.755 0.561 1.706 1.00 0.00 C ATOM 228 O VAL A 17 0.033 -0.381 1.631 1.00 0.00 O ATOM 229 CB VAL A 17 -0.717 2.978 1.083 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.653 3.131 1.726 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.906 3.991 -0.036 1.00 0.00 C ATOM 0 H VAL A 17 -2.661 2.267 -0.345 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.146 1.340 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.473 3.168 1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.770 4.150 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.746 2.431 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.427 2.922 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.768 4.998 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.175 3.805 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.912 3.897 -0.446 1.00 0.00 H new ATOM 241 N TRP A 18 -1.515 0.787 2.772 1.00 0.00 N ATOM 242 CA TRP A 18 -1.465 -0.080 3.943 1.00 0.00 C ATOM 243 C TRP A 18 -1.544 -1.548 3.538 1.00 0.00 C ATOM 244 O TRP A 18 -0.950 -2.412 4.181 1.00 0.00 O ATOM 245 CB TRP A 18 -2.606 0.259 4.904 1.00 0.00 C ATOM 246 CG TRP A 18 -3.009 -0.890 5.777 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.605 -1.125 7.060 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.892 -1.962 5.430 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.185 -2.278 7.532 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.980 -2.810 6.551 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.620 -2.286 4.282 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.764 -3.960 6.555 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.398 -3.429 4.287 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.466 -4.254 5.417 1.00 0.00 C ATOM 0 H TRP A 18 -2.173 1.563 2.849 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.513 0.087 4.447 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.304 1.096 5.534 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.471 0.589 4.328 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.929 -0.497 7.621 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.046 -2.674 8.462 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.576 -1.655 3.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.817 -4.598 7.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -5.963 -3.690 3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.084 -5.139 5.390 1.00 0.00 H new ATOM 265 N ALA A 19 -2.282 -1.822 2.467 1.00 0.00 N ATOM 266 CA ALA A 19 -2.437 -3.186 1.975 1.00 0.00 C ATOM 267 C ALA A 19 -1.145 -3.691 1.342 1.00 0.00 C ATOM 268 O ALA A 19 -0.855 -4.887 1.367 1.00 0.00 O ATOM 269 CB ALA A 19 -3.581 -3.259 0.974 1.00 0.00 C ATOM 0 H ALA A 19 -2.782 -1.118 1.924 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.670 -3.828 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.685 -4.283 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.507 -2.947 1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.371 -2.599 0.132 1.00 0.00 H new ATOM 275 N LYS A 20 -0.371 -2.772 0.774 1.00 0.00 N ATOM 276 CA LYS A 20 0.891 -3.124 0.134 1.00 0.00 C ATOM 277 C LYS A 20 1.687 -4.096 0.999 1.00 0.00 C ATOM 278 O LYS A 20 2.421 -4.941 0.486 1.00 0.00 O ATOM 279 CB LYS A 20 1.720 -1.865 -0.132 1.00 0.00 C ATOM 280 CG LYS A 20 2.525 -1.401 1.070 1.00 0.00 C ATOM 281 CD LYS A 20 2.768 0.098 1.033 1.00 0.00 C ATOM 282 CE LYS A 20 3.844 0.464 0.022 1.00 0.00 C ATOM 283 NZ LYS A 20 5.213 0.289 0.582 1.00 0.00 N ATOM 0 H LYS A 20 -0.596 -1.778 0.744 1.00 0.00 H new ATOM 0 HA LYS A 20 0.665 -3.610 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.400 -2.057 -0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.054 -1.061 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.996 -1.662 1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.481 -1.925 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.840 0.612 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.065 0.444 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.733 -0.157 -0.867 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.710 1.499 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.918 0.548 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.328 0.900 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.350 -0.704 0.859 1.00 0.00 H new ATOM 297 N ASP A 21 1.537 -3.971 2.313 1.00 0.00 N ATOM 298 CA ASP A 21 2.240 -4.840 3.249 1.00 0.00 C ATOM 299 C ASP A 21 1.374 -6.035 3.637 1.00 0.00 C ATOM 300 O ASP A 21 1.880 -7.052 4.108 1.00 0.00 O ATOM 301 CB ASP A 21 2.642 -4.058 4.501 1.00 0.00 C ATOM 302 CG ASP A 21 3.748 -4.742 5.280 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.868 -4.859 4.741 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.494 -5.160 6.429 1.00 0.00 O ATOM 0 H ASP A 21 0.935 -3.276 2.754 1.00 0.00 H new ATOM 0 HA ASP A 21 3.139 -5.210 2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.969 -3.059 4.213 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.771 -3.935 5.144 1.00 0.00 H new ATOM 309 N GLU A 22 0.067 -5.902 3.436 1.00 0.00 N ATOM 310 CA GLU A 22 -0.869 -6.970 3.767 1.00 0.00 C ATOM 311 C GLU A 22 -1.060 -7.912 2.581 1.00 0.00 C ATOM 312 O GLU A 22 -0.768 -9.104 2.668 1.00 0.00 O ATOM 313 CB GLU A 22 -2.217 -6.384 4.190 1.00 0.00 C ATOM 314 CG GLU A 22 -2.115 -5.377 5.323 1.00 0.00 C ATOM 315 CD GLU A 22 -0.952 -5.662 6.254 1.00 0.00 C ATOM 316 OE1 GLU A 22 -1.101 -6.527 7.143 1.00 0.00 O ATOM 317 OE2 GLU A 22 0.107 -5.021 6.093 1.00 0.00 O ATOM 0 H GLU A 22 -0.368 -5.066 3.046 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.453 -7.539 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.681 -5.903 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.877 -7.196 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.005 -4.376 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.043 -5.383 5.895 1.00 0.00 H new ATOM 324 N ARG A 23 -1.554 -7.367 1.474 1.00 0.00 N ATOM 325 CA ARG A 23 -1.787 -8.157 0.272 1.00 0.00 C ATOM 326 C ARG A 23 -0.595 -9.063 -0.023 1.00 0.00 C ATOM 327 O ARG A 23 -0.761 -10.219 -0.414 1.00 0.00 O ATOM 328 CB ARG A 23 -2.052 -7.240 -0.924 1.00 0.00 C ATOM 329 CG ARG A 23 -2.486 -7.983 -2.177 1.00 0.00 C ATOM 330 CD ARG A 23 -2.306 -7.128 -3.422 1.00 0.00 C ATOM 331 NE ARG A 23 -2.511 -7.896 -4.647 1.00 0.00 N ATOM 332 CZ ARG A 23 -1.572 -8.650 -5.208 1.00 0.00 C ATOM 333 NH1 ARG A 23 -0.370 -8.738 -4.655 1.00 0.00 N ATOM 334 NH2 ARG A 23 -1.835 -9.320 -6.323 1.00 0.00 N ATOM 0 H ARG A 23 -1.800 -6.381 1.385 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.663 -8.782 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.823 -6.519 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.148 -6.672 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.905 -8.900 -2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.532 -8.276 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.008 -6.295 -3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.304 -6.700 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.425 -7.851 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.165 -8.226 -3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.349 -9.318 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.759 -9.256 -6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.113 -9.899 -6.753 1.00 0.00 H new ATOM 348 N LYS A 24 0.607 -8.531 0.167 1.00 0.00 N ATOM 349 CA LYS A 24 1.828 -9.290 -0.076 1.00 0.00 C ATOM 350 C LYS A 24 1.850 -10.567 0.758 1.00 0.00 C ATOM 351 O LYS A 24 2.367 -11.596 0.322 1.00 0.00 O ATOM 352 CB LYS A 24 3.057 -8.436 0.245 1.00 0.00 C ATOM 353 CG LYS A 24 3.334 -8.305 1.732 1.00 0.00 C ATOM 354 CD LYS A 24 4.790 -7.960 2.000 1.00 0.00 C ATOM 355 CE LYS A 24 5.631 -9.211 2.202 1.00 0.00 C ATOM 356 NZ LYS A 24 7.088 -8.924 2.090 1.00 0.00 N ATOM 0 H LYS A 24 0.762 -7.576 0.489 1.00 0.00 H new ATOM 0 HA LYS A 24 1.851 -9.566 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.929 -8.872 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.919 -7.442 -0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.692 -7.533 2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.082 -9.239 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.188 -7.384 1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.858 -7.328 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.419 -9.637 3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.351 -9.961 1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.627 -9.802 2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.295 -8.542 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.361 -8.228 2.813 1.00 0.00 H new ATOM 370 N ARG A 25 1.287 -10.493 1.959 1.00 0.00 N ATOM 371 CA ARG A 25 1.242 -11.643 2.854 1.00 0.00 C ATOM 372 C ARG A 25 0.093 -12.576 2.484 1.00 0.00 C ATOM 373 O ARG A 25 0.052 -13.729 2.916 1.00 0.00 O ATOM 374 CB ARG A 25 1.092 -11.181 4.305 1.00 0.00 C ATOM 375 CG ARG A 25 -0.351 -11.123 4.779 1.00 0.00 C ATOM 376 CD ARG A 25 -0.541 -10.069 5.859 1.00 0.00 C ATOM 377 NE ARG A 25 -0.298 -10.605 7.195 1.00 0.00 N ATOM 378 CZ ARG A 25 -0.037 -9.847 8.255 1.00 0.00 C ATOM 379 NH1 ARG A 25 0.013 -8.528 8.134 1.00 0.00 N ATOM 380 NH2 ARG A 25 0.173 -10.409 9.438 1.00 0.00 N ATOM 0 H ARG A 25 0.856 -9.649 2.335 1.00 0.00 H new ATOM 0 HA ARG A 25 2.179 -12.190 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.651 -11.856 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.541 -10.193 4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.004 -10.902 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.648 -12.098 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.136 -9.235 5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.556 -9.674 5.806 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.330 -11.617 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.149 -8.093 7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.213 -7.948 8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.134 -11.424 9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.373 -9.826 10.251 1.00 0.00 H new ATOM 394 N LEU A 26 -0.838 -12.070 1.684 1.00 0.00 N ATOM 395 CA LEU A 26 -1.989 -12.857 1.255 1.00 0.00 C ATOM 396 C LEU A 26 -1.620 -13.773 0.092 1.00 0.00 C ATOM 397 O LEU A 26 -2.047 -14.926 0.038 1.00 0.00 O ATOM 398 CB LEU A 26 -3.140 -11.935 0.848 1.00 0.00 C ATOM 399 CG LEU A 26 -3.578 -10.907 1.892 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.821 -10.167 1.423 1.00 0.00 C ATOM 401 CD2 LEU A 26 -3.830 -11.582 3.232 1.00 0.00 C ATOM 0 H LEU A 26 -0.819 -11.118 1.319 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.307 -13.476 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.850 -11.402 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.001 -12.553 0.592 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.775 -10.181 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.118 -9.440 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.606 -9.651 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.631 -10.879 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.141 -10.835 3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.615 -12.330 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.915 -12.065 3.574 1.00 0.00 H new ATOM 413 N ALA A 27 -0.823 -13.251 -0.834 1.00 0.00 N ATOM 414 CA ALA A 27 -0.393 -14.023 -1.994 1.00 0.00 C ATOM 415 C ALA A 27 0.316 -15.304 -1.568 1.00 0.00 C ATOM 416 O ALA A 27 0.009 -16.388 -2.065 1.00 0.00 O ATOM 417 CB ALA A 27 0.517 -13.184 -2.879 1.00 0.00 C ATOM 0 H ALA A 27 -0.462 -12.297 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.280 -14.301 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.830 -13.773 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.022 -12.300 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.395 -12.877 -2.311 1.00 0.00 H new ATOM 423 N GLN A 28 1.265 -15.172 -0.647 1.00 0.00 N ATOM 424 CA GLN A 28 2.018 -16.320 -0.157 1.00 0.00 C ATOM 425 C GLN A 28 1.124 -17.251 0.656 1.00 0.00 C ATOM 426 O GLN A 28 1.245 -18.473 0.572 1.00 0.00 O ATOM 427 CB GLN A 28 3.200 -15.856 0.696 1.00 0.00 C ATOM 428 CG GLN A 28 2.797 -14.960 1.857 1.00 0.00 C ATOM 429 CD GLN A 28 3.842 -14.923 2.955 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.982 -15.346 2.758 1.00 0.00 O ATOM 431 NE2 GLN A 28 3.459 -14.414 4.120 1.00 0.00 N ATOM 0 H GLN A 28 1.530 -14.282 -0.225 1.00 0.00 H new ATOM 0 HA GLN A 28 2.395 -16.869 -1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.721 -16.730 1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.907 -15.320 0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.627 -13.948 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.852 -15.312 2.271 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.504 -14.075 4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.119 -14.362 4.896 1.00 0.00 H new ATOM 440 N GLN A 29 0.228 -16.664 1.443 1.00 0.00 N ATOM 441 CA GLN A 29 -0.686 -17.442 2.272 1.00 0.00 C ATOM 442 C GLN A 29 -1.685 -18.207 1.410 1.00 0.00 C ATOM 443 O GLN A 29 -2.113 -19.304 1.765 1.00 0.00 O ATOM 444 CB GLN A 29 -1.430 -16.526 3.245 1.00 0.00 C ATOM 445 CG GLN A 29 -0.713 -16.336 4.571 1.00 0.00 C ATOM 446 CD GLN A 29 -1.606 -15.732 5.637 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.742 -16.168 5.831 1.00 0.00 O ATOM 448 NE2 GLN A 29 -1.097 -14.724 6.335 1.00 0.00 N ATOM 0 H GLN A 29 0.115 -15.653 1.524 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.098 -18.163 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.574 -15.552 2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.421 -16.938 3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.339 -17.299 4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.154 -15.693 4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.151 -14.395 6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.652 -14.278 7.066 1.00 0.00 H new ATOM 457 N ASN A 30 -2.053 -17.620 0.276 1.00 0.00 N ATOM 458 CA ASN A 30 -3.003 -18.246 -0.636 1.00 0.00 C ATOM 459 C ASN A 30 -2.505 -18.171 -2.077 1.00 0.00 C ATOM 460 O ASN A 30 -2.885 -17.287 -2.845 1.00 0.00 O ATOM 461 CB ASN A 30 -4.372 -17.573 -0.522 1.00 0.00 C ATOM 462 CG ASN A 30 -4.946 -17.665 0.878 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.197 -18.758 1.388 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.158 -16.515 1.508 1.00 0.00 N ATOM 0 H ASN A 30 -1.708 -16.711 -0.033 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.098 -19.295 -0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.283 -16.525 -0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.062 -18.038 -1.226 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.543 -16.514 2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.935 -15.633 1.047 1.00 0.00 H new ATOM 471 N PRO A 31 -1.634 -19.119 -2.452 1.00 0.00 N ATOM 472 CA PRO A 31 -1.066 -19.183 -3.802 1.00 0.00 C ATOM 473 C PRO A 31 -2.102 -19.580 -4.849 1.00 0.00 C ATOM 474 O PRO A 31 -1.821 -19.575 -6.047 1.00 0.00 O ATOM 475 CB PRO A 31 0.014 -20.260 -3.682 1.00 0.00 C ATOM 476 CG PRO A 31 -0.432 -21.119 -2.550 1.00 0.00 C ATOM 477 CD PRO A 31 -1.138 -20.203 -1.588 1.00 0.00 C ATOM 0 HA PRO A 31 -0.687 -18.215 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.104 -20.835 -4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.991 -19.820 -3.484 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.099 -21.908 -2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.417 -21.607 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.953 -20.712 -1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.461 -19.828 -0.820 1.00 0.00 H new ATOM 485 N ASP A 32 -3.299 -19.925 -4.388 1.00 0.00 N ATOM 486 CA ASP A 32 -4.378 -20.324 -5.285 1.00 0.00 C ATOM 487 C ASP A 32 -5.448 -19.240 -5.365 1.00 0.00 C ATOM 488 O ASP A 32 -6.284 -19.243 -6.269 1.00 0.00 O ATOM 489 CB ASP A 32 -5.001 -21.639 -4.814 1.00 0.00 C ATOM 490 CG ASP A 32 -4.328 -22.851 -5.429 1.00 0.00 C ATOM 491 OD1 ASP A 32 -4.088 -22.839 -6.654 1.00 0.00 O ATOM 492 OD2 ASP A 32 -4.041 -23.811 -4.684 1.00 0.00 O ATOM 0 H ASP A 32 -3.547 -19.937 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.956 -20.466 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.933 -21.701 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.061 -21.647 -5.068 1.00 0.00 H new ATOM 497 N LEU A 33 -5.417 -18.314 -4.412 1.00 0.00 N ATOM 498 CA LEU A 33 -6.385 -17.224 -4.373 1.00 0.00 C ATOM 499 C LEU A 33 -5.900 -16.036 -5.199 1.00 0.00 C ATOM 500 O LEU A 33 -4.699 -15.859 -5.406 1.00 0.00 O ATOM 501 CB LEU A 33 -6.633 -16.787 -2.929 1.00 0.00 C ATOM 502 CG LEU A 33 -7.425 -17.765 -2.059 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.733 -17.145 -0.704 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.708 -18.184 -2.760 1.00 0.00 C ATOM 0 H LEU A 33 -4.732 -18.297 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.319 -17.585 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.669 -16.608 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.163 -15.834 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.816 -18.654 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.297 -17.855 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.801 -16.896 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.323 -16.239 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.258 -18.880 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.322 -17.304 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.464 -18.669 -3.705 1.00 0.00 H new ATOM 516 N HIS A 34 -6.843 -15.223 -5.667 1.00 0.00 N ATOM 517 CA HIS A 34 -6.512 -14.050 -6.468 1.00 0.00 C ATOM 518 C HIS A 34 -6.950 -12.770 -5.763 1.00 0.00 C ATOM 519 O HIS A 34 -7.625 -12.816 -4.736 1.00 0.00 O ATOM 520 CB HIS A 34 -7.174 -14.142 -7.843 1.00 0.00 C ATOM 521 CG HIS A 34 -8.648 -14.401 -7.781 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.592 -13.400 -7.867 1.00 0.00 N ATOM 523 CD2 HIS A 34 -9.338 -15.557 -7.644 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.800 -13.929 -7.783 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.674 -15.237 -7.647 1.00 0.00 N ATOM 0 H HIS A 34 -7.841 -15.355 -5.505 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.430 -14.021 -6.596 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.999 -13.212 -8.384 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.697 -14.938 -8.414 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.917 -16.547 -7.550 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.732 -13.385 -7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.443 -15.901 -7.559 1.00 0.00 H new ATOM 534 N ASN A 35 -6.561 -11.629 -6.323 1.00 0.00 N ATOM 535 CA ASN A 35 -6.913 -10.336 -5.747 1.00 0.00 C ATOM 536 C ASN A 35 -8.304 -10.379 -5.123 1.00 0.00 C ATOM 537 O ASN A 35 -8.450 -10.330 -3.902 1.00 0.00 O ATOM 538 CB ASN A 35 -6.855 -9.245 -6.818 1.00 0.00 C ATOM 539 CG ASN A 35 -5.442 -8.754 -7.068 1.00 0.00 C ATOM 540 OD1 ASN A 35 -4.743 -8.342 -6.142 1.00 0.00 O ATOM 541 ND2 ASN A 35 -5.015 -8.796 -8.325 1.00 0.00 N ATOM 0 H ASN A 35 -6.002 -11.573 -7.175 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.190 -10.106 -4.964 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.273 -9.630 -7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.479 -8.406 -6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.073 -8.479 -8.555 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.629 -9.145 -9.061 1.00 0.00 H new ATOM 548 N ALA A 36 -9.324 -10.471 -5.970 1.00 0.00 N ATOM 549 CA ALA A 36 -10.703 -10.524 -5.502 1.00 0.00 C ATOM 550 C ALA A 36 -10.806 -11.276 -4.180 1.00 0.00 C ATOM 551 O ALA A 36 -11.591 -10.909 -3.306 1.00 0.00 O ATOM 552 CB ALA A 36 -11.592 -11.174 -6.552 1.00 0.00 C ATOM 0 H ALA A 36 -9.221 -10.510 -6.984 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.043 -9.502 -5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.619 -11.207 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.551 -10.593 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.243 -12.188 -6.747 1.00 0.00 H new ATOM 558 N GLU A 37 -10.009 -12.331 -4.040 1.00 0.00 N ATOM 559 CA GLU A 37 -10.013 -13.135 -2.824 1.00 0.00 C ATOM 560 C GLU A 37 -9.187 -12.468 -1.728 1.00 0.00 C ATOM 561 O GLU A 37 -9.599 -12.416 -0.568 1.00 0.00 O ATOM 562 CB GLU A 37 -9.465 -14.535 -3.110 1.00 0.00 C ATOM 563 CG GLU A 37 -10.325 -15.340 -4.069 1.00 0.00 C ATOM 564 CD GLU A 37 -11.382 -16.162 -3.357 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.893 -15.696 -2.317 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.698 -17.269 -3.839 1.00 0.00 O ATOM 0 H GLU A 37 -9.353 -12.648 -4.754 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.043 -13.219 -2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.460 -14.445 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.375 -15.080 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.810 -14.663 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.687 -16.003 -4.653 1.00 0.00 H new ATOM 573 N LEU A 38 -8.018 -11.959 -2.103 1.00 0.00 N ATOM 574 CA LEU A 38 -7.133 -11.295 -1.153 1.00 0.00 C ATOM 575 C LEU A 38 -7.824 -10.098 -0.508 1.00 0.00 C ATOM 576 O LEU A 38 -7.816 -9.948 0.713 1.00 0.00 O ATOM 577 CB LEU A 38 -5.850 -10.841 -1.853 1.00 0.00 C ATOM 578 CG LEU A 38 -5.233 -11.837 -2.835 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.906 -11.314 -3.363 1.00 0.00 C ATOM 580 CD2 LEU A 38 -5.048 -13.194 -2.172 1.00 0.00 C ATOM 0 H LEU A 38 -7.662 -11.994 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.880 -12.010 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.060 -9.916 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.108 -10.606 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.914 -11.956 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.482 -12.036 -4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.067 -10.366 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.217 -11.165 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.608 -13.891 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.388 -13.091 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.016 -13.574 -1.844 1.00 0.00 H new ATOM 592 N SER A 39 -8.424 -9.250 -1.338 1.00 0.00 N ATOM 593 CA SER A 39 -9.120 -8.065 -0.849 1.00 0.00 C ATOM 594 C SER A 39 -9.985 -8.404 0.361 1.00 0.00 C ATOM 595 O SER A 39 -9.853 -7.797 1.424 1.00 0.00 O ATOM 596 CB SER A 39 -9.986 -7.463 -1.957 1.00 0.00 C ATOM 597 OG SER A 39 -10.054 -6.052 -1.840 1.00 0.00 O ATOM 0 H SER A 39 -8.442 -9.361 -2.352 1.00 0.00 H new ATOM 0 HA SER A 39 -8.371 -7.333 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.575 -7.731 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.990 -7.884 -1.908 1.00 0.00 H new ATOM 0 HG SER A 39 -10.612 -5.691 -2.560 1.00 0.00 H new ATOM 603 N LYS A 40 -10.872 -9.379 0.192 1.00 0.00 N ATOM 604 CA LYS A 40 -11.760 -9.802 1.268 1.00 0.00 C ATOM 605 C LYS A 40 -11.047 -9.745 2.615 1.00 0.00 C ATOM 606 O LYS A 40 -11.667 -9.482 3.645 1.00 0.00 O ATOM 607 CB LYS A 40 -12.270 -11.222 1.008 1.00 0.00 C ATOM 608 CG LYS A 40 -13.261 -11.311 -0.140 1.00 0.00 C ATOM 609 CD LYS A 40 -14.693 -11.176 0.348 1.00 0.00 C ATOM 610 CE LYS A 40 -15.687 -11.641 -0.705 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.941 -12.161 -0.093 1.00 0.00 N ATOM 0 H LYS A 40 -10.995 -9.892 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.608 -9.118 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.421 -11.871 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.742 -11.601 1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.048 -10.527 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.139 -12.264 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.825 -11.761 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.894 -10.136 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.925 -10.812 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.231 -12.420 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.592 -12.468 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.718 -12.969 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.390 -11.410 0.469 1.00 0.00 H new ATOM 625 N MET A 41 -9.742 -9.993 2.600 1.00 0.00 N ATOM 626 CA MET A 41 -8.945 -9.967 3.821 1.00 0.00 C ATOM 627 C MET A 41 -8.356 -8.580 4.056 1.00 0.00 C ATOM 628 O MET A 41 -8.251 -8.124 5.196 1.00 0.00 O ATOM 629 CB MET A 41 -7.822 -11.004 3.745 1.00 0.00 C ATOM 630 CG MET A 41 -8.291 -12.374 3.282 1.00 0.00 C ATOM 631 SD MET A 41 -6.922 -13.480 2.890 1.00 0.00 S ATOM 632 CE MET A 41 -7.244 -13.817 1.160 1.00 0.00 C ATOM 0 H MET A 41 -9.214 -10.214 1.756 1.00 0.00 H new ATOM 0 HA MET A 41 -9.600 -10.211 4.658 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.051 -10.644 3.064 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.360 -11.100 4.728 1.00 0.00 H new ATOM 0 HG2 MET A 41 -8.906 -12.825 4.060 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.924 -12.259 2.402 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.312 -13.759 0.598 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.668 -14.816 1.057 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.948 -13.081 0.771 1.00 0.00 H new ATOM 642 N LEU A 42 -7.974 -7.912 2.973 1.00 0.00 N ATOM 643 CA LEU A 42 -7.395 -6.576 3.062 1.00 0.00 C ATOM 644 C LEU A 42 -8.444 -5.556 3.494 1.00 0.00 C ATOM 645 O LEU A 42 -8.111 -4.483 3.994 1.00 0.00 O ATOM 646 CB LEU A 42 -6.795 -6.168 1.716 1.00 0.00 C ATOM 647 CG LEU A 42 -5.655 -7.045 1.196 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.294 -6.661 -0.231 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.439 -6.934 2.104 1.00 0.00 C ATOM 0 H LEU A 42 -8.055 -8.274 2.023 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.605 -6.598 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.592 -6.164 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.430 -5.144 1.799 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.991 -8.082 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.481 -7.296 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.164 -6.794 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.978 -5.618 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.638 -7.565 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.102 -5.898 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.705 -7.260 3.110 1.00 0.00 H new ATOM 661 N GLY A 43 -9.713 -5.901 3.299 1.00 0.00 N ATOM 662 CA GLY A 43 -10.791 -5.006 3.675 1.00 0.00 C ATOM 663 C GLY A 43 -11.171 -5.138 5.137 1.00 0.00 C ATOM 664 O GLY A 43 -11.325 -4.138 5.839 1.00 0.00 O ATOM 0 H GLY A 43 -10.013 -6.785 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.493 -3.977 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.664 -5.213 3.056 1.00 0.00 H new ATOM 668 N LYS A 44 -11.324 -6.375 5.597 1.00 0.00 N ATOM 669 CA LYS A 44 -11.689 -6.636 6.985 1.00 0.00 C ATOM 670 C LYS A 44 -10.630 -6.089 7.937 1.00 0.00 C ATOM 671 O LYS A 44 -10.952 -5.564 9.003 1.00 0.00 O ATOM 672 CB LYS A 44 -11.868 -8.138 7.212 1.00 0.00 C ATOM 673 CG LYS A 44 -10.566 -8.919 7.172 1.00 0.00 C ATOM 674 CD LYS A 44 -10.790 -10.392 7.474 1.00 0.00 C ATOM 675 CE LYS A 44 -9.507 -11.194 7.317 1.00 0.00 C ATOM 676 NZ LYS A 44 -8.622 -11.063 8.507 1.00 0.00 N ATOM 0 H LYS A 44 -11.201 -7.213 5.029 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.632 -6.129 7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.347 -8.296 8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.543 -8.534 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.108 -8.814 6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.867 -8.500 7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.168 -10.503 8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.553 -10.790 6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.752 -12.244 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.974 -10.856 6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.759 -11.624 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.367 -10.064 8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.121 -11.410 9.351 1.00 0.00 H new ATOM 690 N SER A 45 -9.366 -6.215 7.545 1.00 0.00 N ATOM 691 CA SER A 45 -8.260 -5.735 8.366 1.00 0.00 C ATOM 692 C SER A 45 -8.142 -4.217 8.284 1.00 0.00 C ATOM 693 O SER A 45 -7.719 -3.564 9.238 1.00 0.00 O ATOM 694 CB SER A 45 -6.949 -6.385 7.921 1.00 0.00 C ATOM 695 OG SER A 45 -6.864 -7.725 8.375 1.00 0.00 O ATOM 0 H SER A 45 -9.082 -6.645 6.665 1.00 0.00 H new ATOM 0 HA SER A 45 -8.461 -6.010 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.878 -6.361 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.106 -5.813 8.308 1.00 0.00 H new ATOM 0 HG SER A 45 -6.018 -8.119 8.076 1.00 0.00 H new ATOM 701 N TRP A 46 -8.517 -3.661 7.137 1.00 0.00 N ATOM 702 CA TRP A 46 -8.453 -2.219 6.930 1.00 0.00 C ATOM 703 C TRP A 46 -9.453 -1.495 7.824 1.00 0.00 C ATOM 704 O TRP A 46 -9.070 -0.800 8.765 1.00 0.00 O ATOM 705 CB TRP A 46 -8.725 -1.882 5.463 1.00 0.00 C ATOM 706 CG TRP A 46 -8.688 -0.411 5.175 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.714 0.357 4.703 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.569 0.466 5.338 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.299 1.660 4.563 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.987 1.753 4.947 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.254 0.290 5.778 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.137 2.855 4.982 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.411 1.385 5.812 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.855 2.654 5.417 1.00 0.00 C ATOM 0 H TRP A 46 -8.868 -4.187 6.337 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.450 -1.883 7.194 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.987 -2.386 4.839 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.702 -2.276 5.182 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.705 -0.006 4.474 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.875 2.432 4.228 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.903 -0.684 6.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.477 3.834 4.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.392 1.260 6.149 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.172 3.490 5.457 1.00 0.00 H new ATOM 725 N LYS A 47 -10.737 -1.663 7.526 1.00 0.00 N ATOM 726 CA LYS A 47 -11.793 -1.027 8.304 1.00 0.00 C ATOM 727 C LYS A 47 -11.524 -1.163 9.800 1.00 0.00 C ATOM 728 O LYS A 47 -11.792 -0.244 10.573 1.00 0.00 O ATOM 729 CB LYS A 47 -13.150 -1.646 7.961 1.00 0.00 C ATOM 730 CG LYS A 47 -13.876 -0.933 6.834 1.00 0.00 C ATOM 731 CD LYS A 47 -14.971 -1.802 6.238 1.00 0.00 C ATOM 732 CE LYS A 47 -14.393 -2.922 5.386 1.00 0.00 C ATOM 733 NZ LYS A 47 -15.459 -3.720 4.721 1.00 0.00 N ATOM 0 H LYS A 47 -11.071 -2.235 6.750 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.809 0.033 8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.004 -2.690 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.780 -1.637 8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.310 -0.006 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.163 -0.660 6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.575 -2.228 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.635 -1.187 5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.731 -2.499 4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.786 -3.577 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.024 -4.473 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.076 -4.145 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.023 -3.100 4.105 1.00 0.00 H new ATOM 747 N ALA A 48 -10.992 -2.313 10.199 1.00 0.00 N ATOM 748 CA ALA A 48 -10.683 -2.566 11.600 1.00 0.00 C ATOM 749 C ALA A 48 -9.709 -1.527 12.145 1.00 0.00 C ATOM 750 O ALA A 48 -9.823 -1.095 13.293 1.00 0.00 O ATOM 751 CB ALA A 48 -10.113 -3.967 11.771 1.00 0.00 C ATOM 0 H ALA A 48 -10.766 -3.085 9.571 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.610 -2.490 12.169 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.887 -4.142 12.823 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.843 -4.701 11.430 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.200 -4.063 11.183 1.00 0.00 H new ATOM 757 N LEU A 49 -8.751 -1.130 11.315 1.00 0.00 N ATOM 758 CA LEU A 49 -7.755 -0.141 11.713 1.00 0.00 C ATOM 759 C LEU A 49 -8.425 1.126 12.235 1.00 0.00 C ATOM 760 O LEU A 49 -9.612 1.355 12.003 1.00 0.00 O ATOM 761 CB LEU A 49 -6.844 0.199 10.532 1.00 0.00 C ATOM 762 CG LEU A 49 -5.915 -0.918 10.057 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.283 -0.556 8.723 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.843 -1.199 11.100 1.00 0.00 C ATOM 0 H LEU A 49 -8.643 -1.478 10.362 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.154 -0.569 12.515 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.469 0.505 9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.234 1.060 10.806 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.507 -1.823 9.920 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.625 -1.363 8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.065 -0.407 7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.705 0.362 8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.191 -1.997 10.745 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.255 -0.297 11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.315 -1.504 12.034 1.00 0.00 H new ATOM 776 N THR A 50 -7.655 1.949 12.941 1.00 0.00 N ATOM 777 CA THR A 50 -8.173 3.194 13.495 1.00 0.00 C ATOM 778 C THR A 50 -7.553 4.403 12.804 1.00 0.00 C ATOM 779 O THR A 50 -6.486 4.304 12.196 1.00 0.00 O ATOM 780 CB THR A 50 -7.905 3.289 15.009 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.496 3.358 15.254 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.493 2.091 15.739 1.00 0.00 C ATOM 0 H THR A 50 -6.670 1.775 13.142 1.00 0.00 H new ATOM 0 HA THR A 50 -9.249 3.193 13.323 1.00 0.00 H new ATOM 0 HB THR A 50 -8.383 4.194 15.384 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.334 3.420 16.219 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.291 2.180 16.806 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.570 2.058 15.575 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.040 1.175 15.359 1.00 0.00 H new ATOM 790 N LEU A 51 -8.227 5.543 12.901 1.00 0.00 N ATOM 791 CA LEU A 51 -7.742 6.774 12.285 1.00 0.00 C ATOM 792 C LEU A 51 -6.233 6.912 12.460 1.00 0.00 C ATOM 793 O LEU A 51 -5.496 7.064 11.486 1.00 0.00 O ATOM 794 CB LEU A 51 -8.451 7.985 12.893 1.00 0.00 C ATOM 795 CG LEU A 51 -8.229 9.320 12.180 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.996 10.020 12.731 1.00 0.00 C ATOM 797 CD2 LEU A 51 -8.098 9.108 10.679 1.00 0.00 C ATOM 0 H LEU A 51 -9.111 5.641 13.400 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.963 6.730 11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.522 7.781 12.915 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.125 8.090 13.928 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.095 9.956 12.362 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.853 10.968 12.212 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.129 10.206 13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.121 9.388 12.579 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.941 10.068 10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.250 8.454 10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.009 8.650 10.295 1.00 0.00 H new ATOM 809 N ALA A 52 -5.780 6.857 13.708 1.00 0.00 N ATOM 810 CA ALA A 52 -4.359 6.971 14.011 1.00 0.00 C ATOM 811 C ALA A 52 -3.542 5.974 13.197 1.00 0.00 C ATOM 812 O ALA A 52 -2.404 6.252 12.820 1.00 0.00 O ATOM 813 CB ALA A 52 -4.118 6.764 15.499 1.00 0.00 C ATOM 0 H ALA A 52 -6.377 6.734 14.526 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.034 7.975 13.738 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.052 6.852 15.711 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.664 7.519 16.065 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.465 5.772 15.789 1.00 0.00 H new ATOM 819 N GLU A 53 -4.130 4.813 12.929 1.00 0.00 N ATOM 820 CA GLU A 53 -3.455 3.774 12.160 1.00 0.00 C ATOM 821 C GLU A 53 -3.430 4.125 10.675 1.00 0.00 C ATOM 822 O GLU A 53 -2.488 3.784 9.960 1.00 0.00 O ATOM 823 CB GLU A 53 -4.147 2.425 12.365 1.00 0.00 C ATOM 824 CG GLU A 53 -4.042 1.896 13.785 1.00 0.00 C ATOM 825 CD GLU A 53 -2.606 1.683 14.224 1.00 0.00 C ATOM 826 OE1 GLU A 53 -2.021 0.643 13.854 1.00 0.00 O ATOM 827 OE2 GLU A 53 -2.067 2.556 14.936 1.00 0.00 O ATOM 0 H GLU A 53 -5.072 4.568 13.233 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.427 3.705 12.516 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.200 2.522 12.100 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.712 1.696 11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.526 2.596 14.466 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.584 0.953 13.858 1.00 0.00 H new ATOM 834 N LYS A 54 -4.473 4.809 10.218 1.00 0.00 N ATOM 835 CA LYS A 54 -4.573 5.209 8.819 1.00 0.00 C ATOM 836 C LYS A 54 -3.829 6.517 8.572 1.00 0.00 C ATOM 837 O LYS A 54 -3.640 6.928 7.427 1.00 0.00 O ATOM 838 CB LYS A 54 -6.041 5.361 8.415 1.00 0.00 C ATOM 839 CG LYS A 54 -6.895 4.151 8.756 1.00 0.00 C ATOM 840 CD LYS A 54 -8.357 4.388 8.420 1.00 0.00 C ATOM 841 CE LYS A 54 -9.133 3.082 8.356 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.603 3.312 8.286 1.00 0.00 N ATOM 0 H LYS A 54 -5.262 5.098 10.796 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.113 4.430 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.456 6.239 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.097 5.544 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.531 3.282 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.797 3.923 9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.803 5.041 9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.432 4.904 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.813 2.512 7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.901 2.479 9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.096 2.397 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.913 3.834 9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.828 3.866 7.435 1.00 0.00 H new ATOM 856 N ARG A 55 -3.407 7.166 9.653 1.00 0.00 N ATOM 857 CA ARG A 55 -2.683 8.427 9.553 1.00 0.00 C ATOM 858 C ARG A 55 -1.431 8.269 8.695 1.00 0.00 C ATOM 859 O ARG A 55 -1.187 9.034 7.762 1.00 0.00 O ATOM 860 CB ARG A 55 -2.300 8.932 10.945 1.00 0.00 C ATOM 861 CG ARG A 55 -2.339 10.446 11.077 1.00 0.00 C ATOM 862 CD ARG A 55 -3.764 10.955 11.230 1.00 0.00 C ATOM 863 NE ARG A 55 -3.923 12.305 10.696 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.863 13.150 11.104 1.00 0.00 C ATOM 865 NH1 ARG A 55 -5.723 12.786 12.045 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.944 14.362 10.571 1.00 0.00 N ATOM 0 H ARG A 55 -3.554 6.839 10.608 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.339 9.156 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.976 8.494 11.679 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.297 8.581 11.186 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.747 10.753 11.940 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.881 10.901 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.448 10.279 10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.041 10.947 12.284 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.277 12.616 9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.664 11.855 12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.444 13.437 12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.284 14.646 9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.666 15.010 10.885 1.00 0.00 H new ATOM 880 N PRO A 56 -0.618 7.252 9.018 1.00 0.00 N ATOM 881 CA PRO A 56 0.623 6.969 8.289 1.00 0.00 C ATOM 882 C PRO A 56 0.362 6.443 6.882 1.00 0.00 C ATOM 883 O PRO A 56 1.198 6.586 5.990 1.00 0.00 O ATOM 884 CB PRO A 56 1.299 5.895 9.145 1.00 0.00 C ATOM 885 CG PRO A 56 0.182 5.230 9.872 1.00 0.00 C ATOM 886 CD PRO A 56 -0.847 6.300 10.117 1.00 0.00 C ATOM 0 HA PRO A 56 1.227 7.865 8.149 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.848 5.184 8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.016 6.335 9.838 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.236 4.414 9.283 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.529 4.800 10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.859 5.897 10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.713 6.771 11.091 1.00 0.00 H new ATOM 894 N PHE A 57 -0.804 5.834 6.690 1.00 0.00 N ATOM 895 CA PHE A 57 -1.175 5.286 5.390 1.00 0.00 C ATOM 896 C PHE A 57 -2.080 6.252 4.631 1.00 0.00 C ATOM 897 O PHE A 57 -2.361 6.057 3.448 1.00 0.00 O ATOM 898 CB PHE A 57 -1.879 3.939 5.563 1.00 0.00 C ATOM 899 CG PHE A 57 -1.157 3.000 6.488 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.104 2.524 6.167 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.741 2.593 7.677 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.771 1.660 7.016 1.00 0.00 C ATOM 903 CE2 PHE A 57 -1.078 1.730 8.530 1.00 0.00 C ATOM 904 CZ PHE A 57 0.178 1.262 8.198 1.00 0.00 C ATOM 0 H PHE A 57 -1.508 5.708 7.418 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.263 5.140 4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.885 4.110 5.945 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.985 3.465 4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.571 2.831 5.243 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.724 2.954 7.940 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.754 1.297 6.755 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.542 1.422 9.455 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.696 0.586 8.862 1.00 0.00 H new ATOM 914 N VAL A 58 -2.535 7.293 5.321 1.00 0.00 N ATOM 915 CA VAL A 58 -3.408 8.290 4.713 1.00 0.00 C ATOM 916 C VAL A 58 -2.609 9.486 4.207 1.00 0.00 C ATOM 917 O VAL A 58 -2.967 10.106 3.207 1.00 0.00 O ATOM 918 CB VAL A 58 -4.475 8.784 5.708 1.00 0.00 C ATOM 919 CG1 VAL A 58 -5.066 10.106 5.246 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.564 7.736 5.884 1.00 0.00 C ATOM 0 H VAL A 58 -2.314 7.468 6.301 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.903 7.805 3.872 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.998 8.946 6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.818 10.438 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.276 10.853 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.529 9.975 4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.310 8.101 6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.040 7.540 4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.124 6.815 6.265 1.00 0.00 H new ATOM 930 N GLU A 59 -1.524 9.804 4.906 1.00 0.00 N ATOM 931 CA GLU A 59 -0.673 10.926 4.528 1.00 0.00 C ATOM 932 C GLU A 59 0.305 10.521 3.429 1.00 0.00 C ATOM 933 O GLU A 59 0.954 11.370 2.818 1.00 0.00 O ATOM 934 CB GLU A 59 0.095 11.446 5.744 1.00 0.00 C ATOM 935 CG GLU A 59 -0.792 11.757 6.938 1.00 0.00 C ATOM 936 CD GLU A 59 -1.335 13.173 6.906 1.00 0.00 C ATOM 937 OE1 GLU A 59 -0.598 14.101 7.298 1.00 0.00 O ATOM 938 OE2 GLU A 59 -2.499 13.352 6.490 1.00 0.00 O ATOM 0 H GLU A 59 -1.214 9.300 5.737 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.313 11.721 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.838 10.705 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.638 12.348 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.624 11.053 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.224 11.610 7.857 1.00 0.00 H new ATOM 945 N GLU A 60 0.405 9.218 3.185 1.00 0.00 N ATOM 946 CA GLU A 60 1.305 8.701 2.161 1.00 0.00 C ATOM 947 C GLU A 60 0.583 8.555 0.824 1.00 0.00 C ATOM 948 O GLU A 60 1.066 9.020 -0.208 1.00 0.00 O ATOM 949 CB GLU A 60 1.881 7.350 2.592 1.00 0.00 C ATOM 950 CG GLU A 60 2.489 6.555 1.449 1.00 0.00 C ATOM 951 CD GLU A 60 3.574 5.603 1.913 1.00 0.00 C ATOM 952 OE1 GLU A 60 4.410 6.015 2.744 1.00 0.00 O ATOM 953 OE2 GLU A 60 3.588 4.446 1.444 1.00 0.00 O ATOM 0 H GLU A 60 -0.125 8.502 3.682 1.00 0.00 H new ATOM 0 HA GLU A 60 2.121 9.414 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.643 7.516 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.091 6.759 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.704 5.989 0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.905 7.243 0.713 1.00 0.00 H new ATOM 960 N ALA A 61 -0.576 7.906 0.853 1.00 0.00 N ATOM 961 CA ALA A 61 -1.366 7.700 -0.355 1.00 0.00 C ATOM 962 C ALA A 61 -1.737 9.030 -1.002 1.00 0.00 C ATOM 963 O ALA A 61 -1.834 9.130 -2.224 1.00 0.00 O ATOM 964 CB ALA A 61 -2.619 6.898 -0.036 1.00 0.00 C ATOM 0 H ALA A 61 -0.989 7.514 1.699 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.759 7.138 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.199 6.752 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.336 5.928 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.221 7.439 0.695 1.00 0.00 H new ATOM 970 N GLU A 62 -1.945 10.048 -0.173 1.00 0.00 N ATOM 971 CA GLU A 62 -2.307 11.372 -0.666 1.00 0.00 C ATOM 972 C GLU A 62 -1.215 11.933 -1.571 1.00 0.00 C ATOM 973 O GLU A 62 -1.500 12.612 -2.558 1.00 0.00 O ATOM 974 CB GLU A 62 -2.555 12.326 0.505 1.00 0.00 C ATOM 975 CG GLU A 62 -2.648 13.785 0.091 1.00 0.00 C ATOM 976 CD GLU A 62 -3.484 14.611 1.050 1.00 0.00 C ATOM 977 OE1 GLU A 62 -4.727 14.563 0.946 1.00 0.00 O ATOM 978 OE2 GLU A 62 -2.893 15.305 1.904 1.00 0.00 O ATOM 0 H GLU A 62 -1.869 9.982 0.842 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.223 11.277 -1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.479 12.040 1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.750 12.214 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.645 14.207 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.079 13.849 -0.908 1.00 0.00 H new ATOM 985 N ARG A 63 0.036 11.645 -1.228 1.00 0.00 N ATOM 986 CA ARG A 63 1.172 12.122 -2.008 1.00 0.00 C ATOM 987 C ARG A 63 1.290 11.354 -3.321 1.00 0.00 C ATOM 988 O ARG A 63 1.620 11.927 -4.361 1.00 0.00 O ATOM 989 CB ARG A 63 2.466 11.981 -1.204 1.00 0.00 C ATOM 990 CG ARG A 63 2.445 12.730 0.119 1.00 0.00 C ATOM 991 CD ARG A 63 3.582 12.288 1.026 1.00 0.00 C ATOM 992 NE ARG A 63 4.830 12.981 0.718 1.00 0.00 N ATOM 993 CZ ARG A 63 5.863 13.041 1.551 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.798 12.451 2.737 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.965 13.691 1.199 1.00 0.00 N ATOM 0 H ARG A 63 0.289 11.084 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 63 1.008 13.175 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.651 10.924 -1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.299 12.345 -1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.521 13.801 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.492 12.560 0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.310 12.475 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.730 11.213 0.924 1.00 0.00 H new ATOM 0 HE ARG A 63 4.913 13.445 -0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.953 11.950 3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.593 12.499 3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.020 14.146 0.288 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.757 13.736 1.840 1.00 0.00 H new