USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 637 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 57 ASN :FLIP amide:sc= 0 F(o=-4.5,f=-3.1) USER MOD Set 1.2: A 59 ASN :FLIP amide:sc= -3.14! C(o=-3.2!,f=-3.1!) USER MOD Set 2.1: A 15 ASN : amide:sc= 0 X(o=0.42,f=-0.061) USER MOD Set 2.2: A 19 THR OG1 : rot 71:sc= 0.424 USER MOD Single : A 11 THR OG1 : rot 36:sc= 0.0501 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -25:sc= 0.821 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 33:sc= -1.47 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.089 USER MOD Single : A 51 TYR OH : rot -17:sc= 0.0496 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0935 USER MOD Single : A 67 GLN : amide:sc= -1.02 K(o=-1,f=-3.9!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -90:sc= -0.163 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 75 LYS NZ :NH3+ -118:sc= 0.535 (180deg=-0.864) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.065) USER MOD Single : A 80 HIS : no HD1:sc= -0.334 K(o=-0.33,f=-0.95) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1.6) USER MOD Single : A 97 ASN : amide:sc= -0.0301 K(o=-0.03,f=-0.53) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.162 F(o=-0.8,f=-0.16) USER MOD Single : A 99 GLN : amide:sc=-0.00237 K(o=-0.0024,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 121 N THR A 11 16.823 4.544 -0.834 1.00 0.00 N ATOM 122 CA THR A 11 16.621 3.102 -0.768 1.00 0.00 C ATOM 123 C THR A 11 16.265 2.662 0.647 1.00 0.00 C ATOM 124 O THR A 11 15.356 1.855 0.847 1.00 0.00 O ATOM 125 CB THR A 11 17.875 2.337 -1.231 1.00 0.00 C ATOM 126 OG1 THR A 11 18.192 2.688 -2.583 1.00 0.00 O ATOM 127 CG2 THR A 11 17.661 0.835 -1.129 1.00 0.00 C ATOM 0 HA THR A 11 15.794 2.867 -1.438 1.00 0.00 H new ATOM 0 HB THR A 11 18.704 2.615 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.993 3.636 -2.730 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.560 0.316 -1.461 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.449 0.567 -0.094 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.820 0.544 -1.759 1.00 0.00 H new ATOM 135 N LYS A 12 16.985 3.196 1.627 1.00 0.00 N ATOM 136 CA LYS A 12 16.745 2.860 3.025 1.00 0.00 C ATOM 137 C LYS A 12 15.265 2.996 3.371 1.00 0.00 C ATOM 138 O LYS A 12 14.672 2.097 3.968 1.00 0.00 O ATOM 139 CB LYS A 12 17.578 3.762 3.939 1.00 0.00 C ATOM 140 CG LYS A 12 17.424 3.441 5.415 1.00 0.00 C ATOM 141 CD LYS A 12 18.617 3.930 6.220 1.00 0.00 C ATOM 142 CE LYS A 12 18.772 3.150 7.516 1.00 0.00 C ATOM 143 NZ LYS A 12 19.491 3.939 8.555 1.00 0.00 N ATOM 0 H LYS A 12 17.741 3.865 1.479 1.00 0.00 H new ATOM 0 HA LYS A 12 17.043 1.823 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.629 3.672 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.292 4.800 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.513 3.903 5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.313 2.364 5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.524 3.832 5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.496 4.990 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.788 2.868 7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.316 2.226 7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.577 3.373 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.440 4.187 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.959 4.809 8.760 1.00 0.00 H new ATOM 157 N LEU A 13 14.675 4.124 2.990 1.00 0.00 N ATOM 158 CA LEU A 13 13.263 4.376 3.258 1.00 0.00 C ATOM 159 C LEU A 13 12.377 3.539 2.342 1.00 0.00 C ATOM 160 O LEU A 13 11.490 2.822 2.806 1.00 0.00 O ATOM 161 CB LEU A 13 12.947 5.862 3.074 1.00 0.00 C ATOM 162 CG LEU A 13 13.215 6.759 4.283 1.00 0.00 C ATOM 163 CD1 LEU A 13 13.490 8.187 3.837 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.040 6.718 5.249 1.00 0.00 C ATOM 0 H LEU A 13 15.152 4.878 2.495 1.00 0.00 H new ATOM 0 HA LEU A 13 13.058 4.092 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.531 6.236 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.896 5.959 2.801 1.00 0.00 H new ATOM 0 HG LEU A 13 14.098 6.384 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.679 8.811 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.363 8.203 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.626 8.572 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.249 7.362 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.140 7.067 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.888 5.695 5.594 1.00 0.00 H new ATOM 176 N TRP A 14 12.623 3.633 1.041 1.00 0.00 N ATOM 177 CA TRP A 14 11.848 2.882 0.059 1.00 0.00 C ATOM 178 C TRP A 14 11.669 1.434 0.501 1.00 0.00 C ATOM 179 O TRP A 14 10.562 0.898 0.464 1.00 0.00 O ATOM 180 CB TRP A 14 12.533 2.931 -1.307 1.00 0.00 C ATOM 181 CG TRP A 14 11.905 2.021 -2.319 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.451 0.890 -2.855 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.613 2.169 -2.918 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.575 0.324 -3.751 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.441 1.089 -3.807 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.584 3.105 -2.789 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.282 0.924 -4.561 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.435 2.941 -3.539 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.291 1.857 -4.415 1.00 0.00 C ATOM 0 H TRP A 14 13.353 4.222 0.641 1.00 0.00 H new ATOM 0 HA TRP A 14 10.863 3.343 -0.020 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.506 3.954 -1.683 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.583 2.662 -1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.427 0.498 -2.611 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.743 -0.528 -4.287 1.00 0.00 H new ATOM 0 HE3 TRP A 14 9.685 3.943 -2.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.169 0.089 -5.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.635 3.660 -3.448 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.380 1.756 -4.986 1.00 0.00 H new ATOM 200 N ASN A 15 12.764 0.807 0.918 1.00 0.00 N ATOM 201 CA ASN A 15 12.726 -0.581 1.366 1.00 0.00 C ATOM 202 C ASN A 15 11.912 -0.716 2.649 1.00 0.00 C ATOM 203 O ASN A 15 10.925 -1.449 2.695 1.00 0.00 O ATOM 204 CB ASN A 15 14.145 -1.104 1.592 1.00 0.00 C ATOM 205 CG ASN A 15 14.211 -2.619 1.583 1.00 0.00 C ATOM 206 OD1 ASN A 15 13.663 -3.281 2.465 1.00 0.00 O ATOM 207 ND2 ASN A 15 14.885 -3.177 0.583 1.00 0.00 N ATOM 0 H ASN A 15 13.688 1.237 0.955 1.00 0.00 H new ATOM 0 HA ASN A 15 12.246 -1.175 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.802 -0.710 0.817 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.519 -0.732 2.546 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.964 -4.192 0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.324 -2.590 -0.127 1.00 0.00 H new ATOM 214 N GLU A 16 12.333 -0.002 3.689 1.00 0.00 N ATOM 215 CA GLU A 16 11.643 -0.043 4.973 1.00 0.00 C ATOM 216 C GLU A 16 10.132 0.049 4.781 1.00 0.00 C ATOM 217 O GLU A 16 9.374 -0.740 5.346 1.00 0.00 O ATOM 218 CB GLU A 16 12.125 1.097 5.872 1.00 0.00 C ATOM 219 CG GLU A 16 13.364 0.752 6.681 1.00 0.00 C ATOM 220 CD GLU A 16 13.065 -0.181 7.838 1.00 0.00 C ATOM 221 OE1 GLU A 16 12.801 -1.375 7.583 1.00 0.00 O ATOM 222 OE2 GLU A 16 13.095 0.282 8.997 1.00 0.00 O ATOM 0 H GLU A 16 13.148 0.611 3.667 1.00 0.00 H new ATOM 0 HA GLU A 16 11.874 -0.995 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.336 1.971 5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.322 1.375 6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.103 0.288 6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.810 1.670 7.065 1.00 0.00 H new ATOM 229 N VAL A 17 9.701 1.018 3.981 1.00 0.00 N ATOM 230 CA VAL A 17 8.281 1.214 3.713 1.00 0.00 C ATOM 231 C VAL A 17 7.671 -0.017 3.052 1.00 0.00 C ATOM 232 O VAL A 17 6.734 -0.618 3.578 1.00 0.00 O ATOM 233 CB VAL A 17 8.044 2.439 2.810 1.00 0.00 C ATOM 234 CG1 VAL A 17 6.557 2.636 2.557 1.00 0.00 C ATOM 235 CG2 VAL A 17 8.657 3.685 3.431 1.00 0.00 C ATOM 0 H VAL A 17 10.315 1.680 3.507 1.00 0.00 H new ATOM 0 HA VAL A 17 7.798 1.383 4.675 1.00 0.00 H new ATOM 0 HB VAL A 17 8.531 2.262 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.409 3.506 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.151 1.751 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.044 2.792 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.480 4.541 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.201 3.869 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.730 3.539 3.555 1.00 0.00 H new ATOM 245 N THR A 18 8.210 -0.388 1.895 1.00 0.00 N ATOM 246 CA THR A 18 7.719 -1.548 1.161 1.00 0.00 C ATOM 247 C THR A 18 7.589 -2.762 2.073 1.00 0.00 C ATOM 248 O THR A 18 6.610 -3.506 2.000 1.00 0.00 O ATOM 249 CB THR A 18 8.647 -1.901 -0.017 1.00 0.00 C ATOM 250 OG1 THR A 18 9.980 -2.118 0.459 1.00 0.00 O ATOM 251 CG2 THR A 18 8.648 -0.792 -1.057 1.00 0.00 C ATOM 0 H THR A 18 8.986 0.098 1.446 1.00 0.00 H new ATOM 0 HA THR A 18 6.736 -1.283 0.773 1.00 0.00 H new ATOM 0 HB THR A 18 8.275 -2.813 -0.484 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.111 -1.630 1.299 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.310 -1.064 -1.879 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.637 -0.650 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.998 0.134 -0.601 1.00 0.00 H new ATOM 259 N THR A 19 8.582 -2.958 2.935 1.00 0.00 N ATOM 260 CA THR A 19 8.579 -4.082 3.862 1.00 0.00 C ATOM 261 C THR A 19 7.329 -4.072 4.735 1.00 0.00 C ATOM 262 O THR A 19 6.618 -5.073 4.828 1.00 0.00 O ATOM 263 CB THR A 19 9.824 -4.066 4.769 1.00 0.00 C ATOM 264 OG1 THR A 19 11.011 -4.159 3.973 1.00 0.00 O ATOM 265 CG2 THR A 19 9.784 -5.216 5.764 1.00 0.00 C ATOM 0 H THR A 19 9.399 -2.352 3.010 1.00 0.00 H new ATOM 0 HA THR A 19 8.590 -4.989 3.258 1.00 0.00 H new ATOM 0 HB THR A 19 9.830 -3.127 5.323 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.143 -3.320 3.484 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.673 -5.184 6.393 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.895 -5.127 6.388 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.755 -6.163 5.225 1.00 0.00 H new ATOM 273 N SER A 20 7.067 -2.936 5.371 1.00 0.00 N ATOM 274 CA SER A 20 5.903 -2.797 6.239 1.00 0.00 C ATOM 275 C SER A 20 4.610 -2.939 5.441 1.00 0.00 C ATOM 276 O SER A 20 3.804 -3.832 5.699 1.00 0.00 O ATOM 277 CB SER A 20 5.930 -1.443 6.951 1.00 0.00 C ATOM 278 OG SER A 20 6.885 -1.437 7.998 1.00 0.00 O ATOM 0 H SER A 20 7.644 -2.098 5.302 1.00 0.00 H new ATOM 0 HA SER A 20 5.939 -3.592 6.984 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.166 -0.656 6.234 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.942 -1.221 7.354 1.00 0.00 H new ATOM 0 HG SER A 20 6.884 -0.560 8.436 1.00 0.00 H new ATOM 284 N PHE A 21 4.421 -2.050 4.472 1.00 0.00 N ATOM 285 CA PHE A 21 3.226 -2.075 3.636 1.00 0.00 C ATOM 286 C PHE A 21 2.990 -3.470 3.065 1.00 0.00 C ATOM 287 O PHE A 21 1.924 -4.057 3.253 1.00 0.00 O ATOM 288 CB PHE A 21 3.354 -1.060 2.497 1.00 0.00 C ATOM 289 CG PHE A 21 2.338 -1.251 1.408 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.548 -2.179 0.400 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.172 -0.502 1.390 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.615 -2.357 -0.603 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.235 -0.676 0.389 1.00 0.00 C ATOM 294 CZ PHE A 21 0.457 -1.604 -0.609 1.00 0.00 C ATOM 0 H PHE A 21 5.079 -1.304 4.246 1.00 0.00 H new ATOM 0 HA PHE A 21 2.372 -1.808 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.254 -0.054 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.353 -1.132 2.068 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.452 -2.770 0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.993 0.226 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.791 -3.084 -1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.670 -0.087 0.387 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.273 -1.741 -1.393 1.00 0.00 H new ATOM 304 N ARG A 22 3.991 -3.994 2.367 1.00 0.00 N ATOM 305 CA ARG A 22 3.893 -5.319 1.767 1.00 0.00 C ATOM 306 C ARG A 22 3.338 -6.329 2.767 1.00 0.00 C ATOM 307 O ARG A 22 2.453 -7.119 2.441 1.00 0.00 O ATOM 308 CB ARG A 22 5.264 -5.780 1.268 1.00 0.00 C ATOM 309 CG ARG A 22 5.217 -7.065 0.457 1.00 0.00 C ATOM 310 CD ARG A 22 6.474 -7.242 -0.379 1.00 0.00 C ATOM 311 NE ARG A 22 7.529 -7.934 0.358 1.00 0.00 N ATOM 312 CZ ARG A 22 8.821 -7.823 0.071 1.00 0.00 C ATOM 313 NH1 ARG A 22 9.216 -7.053 -0.933 1.00 0.00 N ATOM 314 NH2 ARG A 22 9.720 -8.484 0.788 1.00 0.00 N ATOM 0 H ARG A 22 4.880 -3.521 2.203 1.00 0.00 H new ATOM 0 HA ARG A 22 3.208 -5.257 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.703 -4.991 0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.923 -5.925 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.102 -7.916 1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.344 -7.053 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.233 -7.805 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.837 -6.265 -0.700 1.00 0.00 H new ATOM 0 HE ARG A 22 7.258 -8.536 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.527 -6.544 -1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.209 -6.969 -1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.419 -9.078 1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.712 -8.398 0.567 1.00 0.00 H new ATOM 328 N ALA A 23 3.867 -6.298 3.986 1.00 0.00 N ATOM 329 CA ALA A 23 3.424 -7.209 5.035 1.00 0.00 C ATOM 330 C ALA A 23 1.963 -6.963 5.395 1.00 0.00 C ATOM 331 O ALA A 23 1.192 -7.903 5.582 1.00 0.00 O ATOM 332 CB ALA A 23 4.305 -7.064 6.267 1.00 0.00 C ATOM 0 H ALA A 23 4.603 -5.652 4.272 1.00 0.00 H new ATOM 0 HA ALA A 23 3.511 -8.228 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.963 -7.750 7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.337 -7.298 6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.247 -6.040 6.637 1.00 0.00 H new ATOM 338 N GLY A 24 1.588 -5.690 5.491 1.00 0.00 N ATOM 339 CA GLY A 24 0.220 -5.344 5.830 1.00 0.00 C ATOM 340 C GLY A 24 -0.785 -6.324 5.259 1.00 0.00 C ATOM 341 O GLY A 24 -1.321 -7.165 5.981 1.00 0.00 O ATOM 0 H GLY A 24 2.207 -4.893 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.115 -5.311 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.001 -4.344 5.458 1.00 0.00 H new ATOM 622 N CYS A 40 -8.349 -8.841 -2.888 1.00 0.00 N ATOM 623 CA CYS A 40 -7.869 -7.568 -3.415 1.00 0.00 C ATOM 624 C CYS A 40 -8.107 -6.442 -2.415 1.00 0.00 C ATOM 625 O CYS A 40 -8.994 -6.529 -1.565 1.00 0.00 O ATOM 626 CB CYS A 40 -8.564 -7.246 -4.739 1.00 0.00 C ATOM 627 SG CYS A 40 -8.002 -8.255 -6.131 1.00 0.00 S ATOM 0 HA CYS A 40 -6.796 -7.655 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.638 -7.382 -4.616 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.401 -6.195 -4.977 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.682 -9.441 -5.706 1.00 0.00 H new ATOM 633 N PHE A 41 -7.309 -5.385 -2.520 1.00 0.00 N ATOM 634 CA PHE A 41 -7.431 -4.242 -1.623 1.00 0.00 C ATOM 635 C PHE A 41 -7.772 -2.974 -2.401 1.00 0.00 C ATOM 636 O PHE A 41 -7.096 -2.625 -3.370 1.00 0.00 O ATOM 637 CB PHE A 41 -6.131 -4.039 -0.841 1.00 0.00 C ATOM 638 CG PHE A 41 -4.895 -4.229 -1.673 1.00 0.00 C ATOM 639 CD1 PHE A 41 -4.398 -5.499 -1.918 1.00 0.00 C ATOM 640 CD2 PHE A 41 -4.231 -3.138 -2.209 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.260 -5.676 -2.683 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.093 -3.309 -2.974 1.00 0.00 C ATOM 643 CZ PHE A 41 -2.607 -4.580 -3.212 1.00 0.00 C ATOM 0 H PHE A 41 -6.570 -5.296 -3.218 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.241 -4.447 -0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.124 -3.034 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.107 -4.737 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.905 -6.360 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.607 -2.142 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.882 -6.671 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.584 -2.450 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.718 -4.716 -3.810 1.00 0.00 H new ATOM 653 N THR A 42 -8.826 -2.288 -1.971 1.00 0.00 N ATOM 654 CA THR A 42 -9.259 -1.060 -2.626 1.00 0.00 C ATOM 655 C THR A 42 -8.237 0.054 -2.436 1.00 0.00 C ATOM 656 O THR A 42 -7.755 0.285 -1.328 1.00 0.00 O ATOM 657 CB THR A 42 -10.623 -0.588 -2.089 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.530 -0.317 -0.686 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.696 -1.637 -2.339 1.00 0.00 C ATOM 0 H THR A 42 -9.396 -2.562 -1.171 1.00 0.00 H new ATOM 0 HA THR A 42 -9.354 -1.285 -3.688 1.00 0.00 H new ATOM 0 HB THR A 42 -10.900 0.324 -2.617 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.401 -0.016 -0.353 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.650 -1.281 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.785 -1.819 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.423 -2.564 -1.835 1.00 0.00 H new ATOM 667 N ALA A 43 -7.910 0.744 -3.525 1.00 0.00 N ATOM 668 CA ALA A 43 -6.947 1.837 -3.476 1.00 0.00 C ATOM 669 C ALA A 43 -7.184 2.724 -2.259 1.00 0.00 C ATOM 670 O ALA A 43 -6.260 3.011 -1.499 1.00 0.00 O ATOM 671 CB ALA A 43 -7.019 2.660 -4.754 1.00 0.00 C ATOM 0 H ALA A 43 -8.298 0.565 -4.451 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.949 1.406 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.295 3.473 -4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.792 2.024 -5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.021 3.073 -4.865 1.00 0.00 H new ATOM 677 N GLY A 44 -8.429 3.156 -2.080 1.00 0.00 N ATOM 678 CA GLY A 44 -8.764 4.008 -0.954 1.00 0.00 C ATOM 679 C GLY A 44 -8.204 3.485 0.354 1.00 0.00 C ATOM 680 O GLY A 44 -7.521 4.209 1.078 1.00 0.00 O ATOM 0 H GLY A 44 -9.211 2.931 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.380 5.012 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.848 4.091 -0.875 1.00 0.00 H new ATOM 684 N GLU A 45 -8.496 2.224 0.659 1.00 0.00 N ATOM 685 CA GLU A 45 -8.018 1.607 1.891 1.00 0.00 C ATOM 686 C GLU A 45 -6.497 1.693 1.989 1.00 0.00 C ATOM 687 O GLU A 45 -5.950 2.017 3.042 1.00 0.00 O ATOM 688 CB GLU A 45 -8.463 0.145 1.961 1.00 0.00 C ATOM 689 CG GLU A 45 -8.518 -0.408 3.375 1.00 0.00 C ATOM 690 CD GLU A 45 -7.147 -0.762 3.917 1.00 0.00 C ATOM 691 OE1 GLU A 45 -6.247 -1.061 3.105 1.00 0.00 O ATOM 692 OE2 GLU A 45 -6.975 -0.741 5.154 1.00 0.00 O ATOM 0 H GLU A 45 -9.060 1.611 0.071 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.450 2.151 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.449 0.052 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.779 -0.463 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.985 0.327 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.151 -1.296 3.390 1.00 0.00 H new ATOM 699 N ALA A 46 -5.822 1.398 0.882 1.00 0.00 N ATOM 700 CA ALA A 46 -4.366 1.443 0.842 1.00 0.00 C ATOM 701 C ALA A 46 -3.848 2.822 1.237 1.00 0.00 C ATOM 702 O ALA A 46 -2.823 2.942 1.910 1.00 0.00 O ATOM 703 CB ALA A 46 -3.864 1.067 -0.544 1.00 0.00 C ATOM 0 H ALA A 46 -6.260 1.126 0.002 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.985 0.720 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.775 1.105 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.195 0.058 -0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.262 1.768 -1.278 1.00 0.00 H new ATOM 709 N VAL A 47 -4.562 3.861 0.815 1.00 0.00 N ATOM 710 CA VAL A 47 -4.174 5.231 1.126 1.00 0.00 C ATOM 711 C VAL A 47 -3.927 5.408 2.620 1.00 0.00 C ATOM 712 O VAL A 47 -2.941 6.021 3.028 1.00 0.00 O ATOM 713 CB VAL A 47 -5.251 6.236 0.673 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.843 7.655 1.035 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.501 6.109 -0.822 1.00 0.00 C ATOM 0 H VAL A 47 -5.412 3.780 0.257 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.250 5.429 0.582 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.180 6.007 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.616 8.351 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.718 7.733 2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.902 7.900 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.264 6.826 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.577 6.311 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.841 5.099 -1.049 1.00 0.00 H new ATOM 725 N ASP A 48 -4.828 4.865 3.431 1.00 0.00 N ATOM 726 CA ASP A 48 -4.707 4.960 4.881 1.00 0.00 C ATOM 727 C ASP A 48 -3.635 4.007 5.401 1.00 0.00 C ATOM 728 O ASP A 48 -2.770 4.398 6.184 1.00 0.00 O ATOM 729 CB ASP A 48 -6.049 4.651 5.547 1.00 0.00 C ATOM 730 CG ASP A 48 -6.039 4.948 7.034 1.00 0.00 C ATOM 731 OD1 ASP A 48 -5.709 6.092 7.409 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.362 4.035 7.823 1.00 0.00 O ATOM 0 H ASP A 48 -5.650 4.354 3.109 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.412 5.979 5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.833 5.237 5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.296 3.601 5.391 1.00 0.00 H new ATOM 737 N TRP A 49 -3.700 2.756 4.961 1.00 0.00 N ATOM 738 CA TRP A 49 -2.736 1.746 5.383 1.00 0.00 C ATOM 739 C TRP A 49 -1.308 2.245 5.193 1.00 0.00 C ATOM 740 O TRP A 49 -0.464 2.095 6.078 1.00 0.00 O ATOM 741 CB TRP A 49 -2.946 0.450 4.598 1.00 0.00 C ATOM 742 CG TRP A 49 -1.773 -0.481 4.664 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.230 -1.189 3.630 1.00 0.00 C ATOM 744 CD2 TRP A 49 -1.002 -0.806 5.825 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.167 -1.934 4.078 1.00 0.00 N ATOM 746 CE2 TRP A 49 -0.006 -1.717 5.421 1.00 0.00 C ATOM 747 CE3 TRP A 49 -1.053 -0.415 7.166 1.00 0.00 C ATOM 748 CZ2 TRP A 49 0.928 -2.242 6.311 1.00 0.00 C ATOM 749 CZ3 TRP A 49 -0.127 -0.938 8.048 1.00 0.00 C ATOM 750 CH2 TRP A 49 0.854 -1.842 7.618 1.00 0.00 C ATOM 0 H TRP A 49 -4.410 2.416 4.312 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.894 1.549 6.443 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.828 -0.061 4.983 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.149 0.694 3.555 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.584 -1.166 2.610 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.409 -2.549 3.504 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.803 0.284 7.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.684 -2.940 5.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.160 -0.645 9.087 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.565 -2.231 8.332 1.00 0.00 H new ATOM 761 N LEU A 50 -1.042 2.837 4.034 1.00 0.00 N ATOM 762 CA LEU A 50 0.285 3.359 3.727 1.00 0.00 C ATOM 763 C LEU A 50 0.517 4.698 4.418 1.00 0.00 C ATOM 764 O LEU A 50 1.563 4.921 5.028 1.00 0.00 O ATOM 765 CB LEU A 50 0.457 3.515 2.215 1.00 0.00 C ATOM 766 CG LEU A 50 1.792 4.096 1.748 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.908 3.078 1.923 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.699 4.544 0.297 1.00 0.00 C ATOM 0 H LEU A 50 -1.728 2.968 3.291 1.00 0.00 H new ATOM 0 HA LEU A 50 1.023 2.647 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.327 2.537 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.344 4.153 1.842 1.00 0.00 H new ATOM 0 HG LEU A 50 2.023 4.966 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.850 3.509 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.990 2.805 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.685 2.188 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.658 4.955 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.445 3.691 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.927 5.308 0.201 1.00 0.00 H new ATOM 780 N TYR A 51 -0.466 5.586 4.321 1.00 0.00 N ATOM 781 CA TYR A 51 -0.369 6.904 4.937 1.00 0.00 C ATOM 782 C TYR A 51 -0.046 6.789 6.423 1.00 0.00 C ATOM 783 O TYR A 51 0.985 7.278 6.885 1.00 0.00 O ATOM 784 CB TYR A 51 -1.676 7.677 4.745 1.00 0.00 C ATOM 785 CG TYR A 51 -1.764 8.934 5.580 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.252 10.139 5.114 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.358 8.918 6.836 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.329 11.290 5.873 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.441 10.065 7.602 1.00 0.00 C ATOM 790 CZ TYR A 51 -1.925 11.248 7.116 1.00 0.00 C ATOM 791 OH TYR A 51 -2.004 12.392 7.877 1.00 0.00 O ATOM 0 H TYR A 51 -1.339 5.417 3.822 1.00 0.00 H new ATOM 0 HA TYR A 51 0.441 7.446 4.449 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.781 7.942 3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.514 7.026 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.785 10.176 4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.762 7.993 7.220 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.925 12.218 5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.907 10.035 8.576 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.372 13.058 7.533 1.00 0.00 H new ATOM 801 N ASP A 52 -0.935 6.139 7.166 1.00 0.00 N ATOM 802 CA ASP A 52 -0.746 5.957 8.601 1.00 0.00 C ATOM 803 C ASP A 52 0.658 5.443 8.902 1.00 0.00 C ATOM 804 O ASP A 52 1.284 5.853 9.881 1.00 0.00 O ATOM 805 CB ASP A 52 -1.788 4.985 9.155 1.00 0.00 C ATOM 806 CG ASP A 52 -3.128 5.651 9.402 1.00 0.00 C ATOM 807 OD1 ASP A 52 -3.598 6.388 8.509 1.00 0.00 O ATOM 808 OD2 ASP A 52 -3.707 5.435 10.487 1.00 0.00 O ATOM 0 H ASP A 52 -1.794 5.729 6.799 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.871 6.926 9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.919 4.160 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.421 4.556 10.088 1.00 0.00 H new ATOM 813 N LEU A 53 1.147 4.543 8.057 1.00 0.00 N ATOM 814 CA LEU A 53 2.478 3.971 8.233 1.00 0.00 C ATOM 815 C LEU A 53 3.554 5.042 8.088 1.00 0.00 C ATOM 816 O LEU A 53 4.464 5.138 8.913 1.00 0.00 O ATOM 817 CB LEU A 53 2.713 2.854 7.215 1.00 0.00 C ATOM 818 CG LEU A 53 3.937 1.970 7.459 1.00 0.00 C ATOM 819 CD1 LEU A 53 3.702 1.048 8.645 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.270 1.164 6.212 1.00 0.00 C ATOM 0 H LEU A 53 0.642 4.193 7.243 1.00 0.00 H new ATOM 0 HA LEU A 53 2.538 3.556 9.239 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.828 2.217 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.806 3.304 6.227 1.00 0.00 H new ATOM 0 HG LEU A 53 4.786 2.614 7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.584 0.427 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.513 1.644 9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.840 0.411 8.445 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.143 0.541 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.422 0.530 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.483 1.843 5.386 1.00 0.00 H new ATOM 832 N LEU A 54 3.443 5.846 7.036 1.00 0.00 N ATOM 833 CA LEU A 54 4.406 6.912 6.784 1.00 0.00 C ATOM 834 C LEU A 54 4.416 7.919 7.930 1.00 0.00 C ATOM 835 O LEU A 54 5.440 8.119 8.585 1.00 0.00 O ATOM 836 CB LEU A 54 4.078 7.622 5.470 1.00 0.00 C ATOM 837 CG LEU A 54 4.087 6.749 4.215 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.503 7.507 3.033 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.499 6.277 3.903 1.00 0.00 C ATOM 0 H LEU A 54 2.696 5.780 6.344 1.00 0.00 H new ATOM 0 HA LEU A 54 5.397 6.463 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.093 8.079 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.793 8.432 5.330 1.00 0.00 H new ATOM 0 HG LEU A 54 3.466 5.873 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.518 6.870 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.475 7.794 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.097 8.402 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.486 5.657 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.143 7.141 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.882 5.695 4.741 1.00 0.00 H new ATOM 851 N ARG A 55 3.270 8.548 8.168 1.00 0.00 N ATOM 852 CA ARG A 55 3.147 9.533 9.236 1.00 0.00 C ATOM 853 C ARG A 55 3.737 9.000 10.539 1.00 0.00 C ATOM 854 O ARG A 55 4.449 9.711 11.246 1.00 0.00 O ATOM 855 CB ARG A 55 1.679 9.910 9.445 1.00 0.00 C ATOM 856 CG ARG A 55 0.847 8.797 10.060 1.00 0.00 C ATOM 857 CD ARG A 55 -0.571 9.260 10.357 1.00 0.00 C ATOM 858 NE ARG A 55 -1.209 8.444 11.386 1.00 0.00 N ATOM 859 CZ ARG A 55 -0.942 8.554 12.682 1.00 0.00 C ATOM 860 NH1 ARG A 55 -0.054 9.442 13.106 1.00 0.00 N ATOM 861 NH2 ARG A 55 -1.565 7.775 13.558 1.00 0.00 N ATOM 0 H ARG A 55 2.414 8.393 7.636 1.00 0.00 H new ATOM 0 HA ARG A 55 3.705 10.422 8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.626 10.789 10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.244 10.190 8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.818 7.945 9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.319 8.454 10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.552 10.301 10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.164 9.220 9.443 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.898 7.751 11.093 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.426 10.043 12.436 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.149 9.524 14.102 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.250 7.091 13.236 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.359 7.860 14.553 1.00 0.00 H new ATOM 875 N ASN A 56 3.434 7.744 10.848 1.00 0.00 N ATOM 876 CA ASN A 56 3.933 7.115 12.066 1.00 0.00 C ATOM 877 C ASN A 56 5.444 7.286 12.187 1.00 0.00 C ATOM 878 O ASN A 56 5.972 7.477 13.282 1.00 0.00 O ATOM 879 CB ASN A 56 3.574 5.628 12.081 1.00 0.00 C ATOM 880 CG ASN A 56 3.886 4.971 13.412 1.00 0.00 C ATOM 881 OD1 ASN A 56 4.865 4.236 13.540 1.00 0.00 O ATOM 882 ND2 ASN A 56 3.052 5.234 14.412 1.00 0.00 N ATOM 0 H ASN A 56 2.846 7.141 10.272 1.00 0.00 H new ATOM 0 HA ASN A 56 3.461 7.605 12.918 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.513 5.511 11.861 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.122 5.117 11.289 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.211 4.821 15.331 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.253 5.849 14.261 1.00 0.00 H new ATOM 889 N ASN A 57 6.134 7.217 11.053 1.00 0.00 N ATOM 890 CA ASN A 57 7.585 7.364 11.031 1.00 0.00 C ATOM 891 C ASN A 57 7.983 8.836 11.092 1.00 0.00 C ATOM 892 O ASN A 57 7.250 9.708 10.626 1.00 0.00 O ATOM 893 CB ASN A 57 8.165 6.719 9.771 1.00 0.00 C ATOM 894 CG ASN A 57 9.561 6.170 9.992 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.570 6.977 9.683 1.00 0.00 O flip ATOM 896 ND2 ASN A 57 9.730 5.034 10.437 1.00 0.00 N flip ATOM 0 H ASN A 57 5.712 7.060 10.138 1.00 0.00 H new ATOM 0 HA ASN A 57 7.990 6.859 11.908 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.508 5.913 9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.190 7.456 8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.925 4.449 10.661 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.675 4.678 10.582 1.00 0.00 H new ATOM 903 N SER A 58 9.150 9.104 11.670 1.00 0.00 N ATOM 904 CA SER A 58 9.645 10.470 11.795 1.00 0.00 C ATOM 905 C SER A 58 10.021 11.038 10.430 1.00 0.00 C ATOM 906 O SER A 58 9.629 12.151 10.080 1.00 0.00 O ATOM 907 CB SER A 58 10.856 10.512 12.729 1.00 0.00 C ATOM 908 OG SER A 58 11.370 11.828 12.839 1.00 0.00 O ATOM 0 H SER A 58 9.770 8.393 12.059 1.00 0.00 H new ATOM 0 HA SER A 58 8.848 11.082 12.217 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.571 10.146 13.715 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.632 9.845 12.353 1.00 0.00 H new ATOM 0 HG SER A 58 12.142 11.828 13.442 1.00 0.00 H new ATOM 914 N ASN A 59 10.784 10.266 9.664 1.00 0.00 N ATOM 915 CA ASN A 59 11.214 10.692 8.338 1.00 0.00 C ATOM 916 C ASN A 59 10.151 11.561 7.674 1.00 0.00 C ATOM 917 O ASN A 59 10.427 12.684 7.250 1.00 0.00 O ATOM 918 CB ASN A 59 11.515 9.475 7.461 1.00 0.00 C ATOM 919 CG ASN A 59 12.917 8.939 7.676 1.00 0.00 C ATOM 920 OD1 ASN A 59 13.013 7.674 8.069 1.00 0.00 O flip ATOM 921 ND2 ASN A 59 13.902 9.654 7.491 1.00 0.00 N flip ATOM 0 H ASN A 59 11.117 9.342 9.939 1.00 0.00 H new ATOM 0 HA ASN A 59 12.122 11.284 8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.792 8.688 7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.390 9.746 6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.781 10.621 7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.839 9.280 7.640 1.00 0.00 H new ATOM 928 N PHE A 60 8.934 11.034 7.587 1.00 0.00 N ATOM 929 CA PHE A 60 7.828 11.761 6.974 1.00 0.00 C ATOM 930 C PHE A 60 7.113 12.632 8.003 1.00 0.00 C ATOM 931 O PHE A 60 6.915 13.828 7.790 1.00 0.00 O ATOM 932 CB PHE A 60 6.836 10.784 6.340 1.00 0.00 C ATOM 933 CG PHE A 60 7.427 9.970 5.224 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.127 8.805 5.494 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.281 10.370 3.906 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.672 8.055 4.469 1.00 0.00 C ATOM 937 CE2 PHE A 60 7.824 9.624 2.876 1.00 0.00 C ATOM 938 CZ PHE A 60 8.519 8.464 3.159 1.00 0.00 C ATOM 0 H PHE A 60 8.689 10.106 7.933 1.00 0.00 H new ATOM 0 HA PHE A 60 8.237 12.407 6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.459 10.111 7.110 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.981 11.343 5.958 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.248 8.479 6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.737 11.275 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.217 7.150 4.692 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.705 9.948 1.852 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.942 7.878 2.357 1.00 0.00 H new ATOM 948 N GLY A 61 6.729 12.023 9.121 1.00 0.00 N ATOM 949 CA GLY A 61 6.040 12.757 10.167 1.00 0.00 C ATOM 950 C GLY A 61 4.559 12.914 9.885 1.00 0.00 C ATOM 951 O GLY A 61 4.070 12.571 8.809 1.00 0.00 O ATOM 0 H GLY A 61 6.883 11.035 9.321 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.173 12.240 11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.493 13.743 10.274 1.00 0.00 H new ATOM 955 N PRO A 62 3.819 13.445 10.870 1.00 0.00 N ATOM 956 CA PRO A 62 2.374 13.658 10.747 1.00 0.00 C ATOM 957 C PRO A 62 2.034 14.769 9.760 1.00 0.00 C ATOM 958 O PRO A 62 0.884 14.912 9.345 1.00 0.00 O ATOM 959 CB PRO A 62 1.951 14.053 12.164 1.00 0.00 C ATOM 960 CG PRO A 62 3.180 14.631 12.778 1.00 0.00 C ATOM 961 CD PRO A 62 4.335 13.877 12.179 1.00 0.00 C ATOM 0 HA PRO A 62 1.863 12.774 10.366 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.138 14.779 12.147 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.596 13.190 12.726 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.258 15.697 12.566 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.163 14.522 13.862 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.217 14.509 12.074 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.624 13.027 12.797 1.00 0.00 H new ATOM 969 N GLU A 63 3.041 15.553 9.388 1.00 0.00 N ATOM 970 CA GLU A 63 2.847 16.652 8.450 1.00 0.00 C ATOM 971 C GLU A 63 2.371 16.134 7.096 1.00 0.00 C ATOM 972 O GLU A 63 1.563 16.774 6.423 1.00 0.00 O ATOM 973 CB GLU A 63 4.146 17.441 8.278 1.00 0.00 C ATOM 974 CG GLU A 63 5.297 16.608 7.740 1.00 0.00 C ATOM 975 CD GLU A 63 6.608 17.371 7.713 1.00 0.00 C ATOM 976 OE1 GLU A 63 6.577 18.596 7.471 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.664 16.743 7.935 1.00 0.00 O ATOM 0 H GLU A 63 3.999 15.447 9.722 1.00 0.00 H new ATOM 0 HA GLU A 63 2.081 17.312 8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.967 18.277 7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.434 17.865 9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.413 15.716 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.056 16.271 6.732 1.00 0.00 H new ATOM 984 N VAL A 64 2.878 14.970 6.703 1.00 0.00 N ATOM 985 CA VAL A 64 2.506 14.365 5.430 1.00 0.00 C ATOM 986 C VAL A 64 0.991 14.263 5.292 1.00 0.00 C ATOM 987 O VAL A 64 0.291 13.918 6.245 1.00 0.00 O ATOM 988 CB VAL A 64 3.120 12.961 5.275 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.579 12.021 6.342 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.849 12.411 3.883 1.00 0.00 C ATOM 0 H VAL A 64 3.548 14.427 7.248 1.00 0.00 H new ATOM 0 HA VAL A 64 2.897 15.013 4.645 1.00 0.00 H new ATOM 0 HB VAL A 64 4.199 13.040 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.024 11.034 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.829 12.409 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.496 11.946 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.290 11.418 3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.773 12.346 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.289 13.074 3.138 1.00 0.00 H new ATOM 1000 N THR A 65 0.489 14.566 4.099 1.00 0.00 N ATOM 1001 CA THR A 65 -0.944 14.509 3.836 1.00 0.00 C ATOM 1002 C THR A 65 -1.273 13.422 2.819 1.00 0.00 C ATOM 1003 O THR A 65 -0.377 12.811 2.237 1.00 0.00 O ATOM 1004 CB THR A 65 -1.473 15.860 3.317 1.00 0.00 C ATOM 1005 OG1 THR A 65 -2.905 15.859 3.321 1.00 0.00 O ATOM 1006 CG2 THR A 65 -0.965 16.135 1.909 1.00 0.00 C ATOM 0 H THR A 65 1.053 14.853 3.300 1.00 0.00 H new ATOM 0 HA THR A 65 -1.431 14.276 4.783 1.00 0.00 H new ATOM 0 HB THR A 65 -1.109 16.646 3.978 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.234 16.721 2.992 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.351 17.094 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.125 16.164 1.914 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.304 15.345 1.239 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.564 13.187 2.610 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.012 12.173 1.663 1.00 0.00 C ATOM 1016 C ARG A 66 -2.381 12.393 0.291 1.00 0.00 C ATOM 1017 O ARG A 66 -1.798 11.477 -0.288 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.537 12.193 1.544 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.242 11.356 2.599 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.627 11.902 2.910 1.00 0.00 C ATOM 1021 NE ARG A 66 -6.580 12.994 3.878 1.00 0.00 N ATOM 1022 CZ ARG A 66 -7.581 13.293 4.698 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -8.701 12.584 4.668 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -7.464 14.302 5.551 1.00 0.00 N ATOM 0 H ARG A 66 -3.318 13.685 3.083 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.697 11.199 2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.885 13.223 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.821 11.831 0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.325 10.326 2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.644 11.338 3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.093 12.253 1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.254 11.100 3.299 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.732 13.558 3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.795 11.807 4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.468 12.816 5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.604 14.850 5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.234 14.530 6.180 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.504 13.613 -0.222 1.00 0.00 N ATOM 1039 CA GLN A 67 -1.946 13.953 -1.526 1.00 0.00 C ATOM 1040 C GLN A 67 -0.628 13.223 -1.761 1.00 0.00 C ATOM 1041 O GLN A 67 -0.453 12.553 -2.779 1.00 0.00 O ATOM 1042 CB GLN A 67 -1.733 15.463 -1.635 1.00 0.00 C ATOM 1043 CG GLN A 67 -3.003 16.236 -1.954 1.00 0.00 C ATOM 1044 CD GLN A 67 -4.003 16.211 -0.815 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -4.624 15.183 -0.542 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -4.164 17.344 -0.143 1.00 0.00 N ATOM 0 H GLN A 67 -2.985 14.382 0.245 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.656 13.638 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.319 15.832 -0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.992 15.662 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.746 17.270 -2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.465 15.816 -2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.628 18.172 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.823 17.387 0.634 1.00 0.00 H new ATOM 1055 N GLN A 68 0.295 13.357 -0.814 1.00 0.00 N ATOM 1056 CA GLN A 68 1.597 12.711 -0.920 1.00 0.00 C ATOM 1057 C GLN A 68 1.445 11.198 -1.047 1.00 0.00 C ATOM 1058 O GLN A 68 2.128 10.559 -1.848 1.00 0.00 O ATOM 1059 CB GLN A 68 2.459 13.049 0.298 1.00 0.00 C ATOM 1060 CG GLN A 68 3.120 14.415 0.215 1.00 0.00 C ATOM 1061 CD GLN A 68 4.422 14.387 -0.560 1.00 0.00 C ATOM 1062 OE1 GLN A 68 4.475 14.789 -1.723 1.00 0.00 O ATOM 1063 NE2 GLN A 68 5.483 13.911 0.082 1.00 0.00 N ATOM 0 H GLN A 68 0.165 13.907 0.035 1.00 0.00 H new ATOM 0 HA GLN A 68 2.088 13.085 -1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.839 13.008 1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.231 12.287 0.409 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.435 15.118 -0.259 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.309 14.785 1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.394 13.589 1.046 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.387 13.868 -0.389 1.00 0.00 H new ATOM 1072 N THR A 69 0.546 10.630 -0.250 1.00 0.00 N ATOM 1073 CA THR A 69 0.306 9.193 -0.271 1.00 0.00 C ATOM 1074 C THR A 69 -0.050 8.715 -1.674 1.00 0.00 C ATOM 1075 O THR A 69 0.524 7.747 -2.175 1.00 0.00 O ATOM 1076 CB THR A 69 -0.827 8.798 0.695 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.493 9.194 2.030 1.00 0.00 O ATOM 1078 CG2 THR A 69 -1.076 7.298 0.653 1.00 0.00 C ATOM 0 H THR A 69 -0.028 11.144 0.418 1.00 0.00 H new ATOM 0 HA THR A 69 1.231 8.714 0.050 1.00 0.00 H new ATOM 0 HB THR A 69 -1.737 9.310 0.381 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.013 8.466 2.477 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.880 7.043 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.359 7.004 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.168 6.770 0.943 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.998 9.401 -2.305 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.427 9.047 -3.652 1.00 0.00 C ATOM 1088 C ILE A 70 -0.256 9.074 -4.628 1.00 0.00 C ATOM 1089 O ILE A 70 -0.108 8.179 -5.460 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.526 9.999 -4.161 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.759 9.919 -3.257 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.894 9.663 -5.598 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.771 11.012 -3.518 1.00 0.00 C ATOM 0 H ILE A 70 -1.483 10.204 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.829 8.035 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.144 11.019 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.239 8.950 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.440 9.971 -2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.672 10.344 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.014 9.766 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.261 8.638 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.618 10.893 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.307 11.984 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.118 10.948 -4.549 1.00 0.00 H new ATOM 1105 N GLN A 71 0.575 10.105 -4.518 1.00 0.00 N ATOM 1106 CA GLN A 71 1.735 10.248 -5.390 1.00 0.00 C ATOM 1107 C GLN A 71 2.707 9.088 -5.197 1.00 0.00 C ATOM 1108 O GLN A 71 3.197 8.508 -6.167 1.00 0.00 O ATOM 1109 CB GLN A 71 2.445 11.575 -5.117 1.00 0.00 C ATOM 1110 CG GLN A 71 1.709 12.784 -5.671 1.00 0.00 C ATOM 1111 CD GLN A 71 2.536 14.053 -5.603 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.392 14.203 -4.731 1.00 0.00 O ATOM 1113 NE2 GLN A 71 2.285 14.974 -6.526 1.00 0.00 N ATOM 0 H GLN A 71 0.467 10.854 -3.834 1.00 0.00 H new ATOM 0 HA GLN A 71 1.385 10.238 -6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.568 11.697 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.445 11.539 -5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.431 12.592 -6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.783 12.928 -5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.566 14.808 -7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.811 15.848 -6.531 1.00 0.00 H new ATOM 1122 N LEU A 72 2.982 8.756 -3.941 1.00 0.00 N ATOM 1123 CA LEU A 72 3.896 7.666 -3.620 1.00 0.00 C ATOM 1124 C LEU A 72 3.335 6.328 -4.093 1.00 0.00 C ATOM 1125 O LEU A 72 4.037 5.537 -4.725 1.00 0.00 O ATOM 1126 CB LEU A 72 4.157 7.619 -2.114 1.00 0.00 C ATOM 1127 CG LEU A 72 5.148 6.556 -1.637 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.576 6.989 -1.931 1.00 0.00 C ATOM 1129 CD2 LEU A 72 4.967 6.286 -0.150 1.00 0.00 C ATOM 0 H LEU A 72 2.585 9.226 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 72 4.837 7.849 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.523 8.596 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.207 7.455 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 72 4.950 5.632 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.268 6.221 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.699 7.131 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.786 7.926 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.680 5.527 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.138 7.205 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.953 5.932 0.035 1.00 0.00 H new ATOM 1141 N LEU A 73 2.067 6.083 -3.784 1.00 0.00 N ATOM 1142 CA LEU A 73 1.410 4.841 -4.179 1.00 0.00 C ATOM 1143 C LEU A 73 1.746 4.483 -5.623 1.00 0.00 C ATOM 1144 O LEU A 73 2.071 3.335 -5.929 1.00 0.00 O ATOM 1145 CB LEU A 73 -0.105 4.968 -4.013 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.877 3.655 -3.875 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.649 3.044 -2.501 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.362 3.881 -4.120 1.00 0.00 C ATOM 0 H LEU A 73 1.473 6.727 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 73 1.775 4.044 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.304 5.578 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.500 5.510 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.507 2.958 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.206 2.110 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.414 2.845 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.991 3.738 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.896 2.936 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.746 4.595 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.509 4.274 -5.126 1.00 0.00 H new ATOM 1160 N ARG A 74 1.669 5.473 -6.507 1.00 0.00 N ATOM 1161 CA ARG A 74 1.966 5.262 -7.918 1.00 0.00 C ATOM 1162 C ARG A 74 3.274 4.494 -8.090 1.00 0.00 C ATOM 1163 O ARG A 74 3.300 3.416 -8.683 1.00 0.00 O ATOM 1164 CB ARG A 74 2.050 6.603 -8.649 1.00 0.00 C ATOM 1165 CG ARG A 74 0.759 7.404 -8.603 1.00 0.00 C ATOM 1166 CD ARG A 74 0.926 8.768 -9.255 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.351 9.323 -9.697 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.464 10.229 -10.662 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.618 10.679 -11.282 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.660 10.685 -11.008 1.00 0.00 N ATOM 0 H ARG A 74 1.403 6.429 -6.270 1.00 0.00 H new ATOM 0 HA ARG A 74 1.158 4.671 -8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.852 7.197 -8.210 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.319 6.424 -9.690 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.032 6.851 -9.110 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.445 7.531 -7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.394 9.453 -8.548 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.599 8.682 -10.108 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.202 8.997 -9.240 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.539 10.330 -11.018 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.529 11.375 -12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.494 10.340 -10.533 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.746 11.381 -11.749 1.00 0.00 H new ATOM 1184 N LYS A 75 4.357 5.058 -7.567 1.00 0.00 N ATOM 1185 CA LYS A 75 5.669 4.428 -7.661 1.00 0.00 C ATOM 1186 C LYS A 75 5.560 2.916 -7.489 1.00 0.00 C ATOM 1187 O LYS A 75 5.961 2.151 -8.366 1.00 0.00 O ATOM 1188 CB LYS A 75 6.612 5.005 -6.603 1.00 0.00 C ATOM 1189 CG LYS A 75 7.394 6.216 -7.081 1.00 0.00 C ATOM 1190 CD LYS A 75 8.405 6.673 -6.043 1.00 0.00 C ATOM 1191 CE LYS A 75 9.764 6.029 -6.267 1.00 0.00 C ATOM 1192 NZ LYS A 75 9.914 4.766 -5.493 1.00 0.00 N ATOM 0 H LYS A 75 4.352 5.951 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 75 6.074 4.636 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.031 5.282 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.313 4.230 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.910 5.973 -8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.705 7.031 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.504 7.758 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.043 6.423 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.897 5.822 -7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.549 6.728 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.696 4.866 -4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.032 4.567 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.119 3.982 -6.145 1.00 0.00 H new ATOM 1206 N PHE A 76 5.013 2.492 -6.354 1.00 0.00 N ATOM 1207 CA PHE A 76 4.851 1.072 -6.068 1.00 0.00 C ATOM 1208 C PHE A 76 4.402 0.313 -7.314 1.00 0.00 C ATOM 1209 O PHE A 76 5.094 -0.588 -7.789 1.00 0.00 O ATOM 1210 CB PHE A 76 3.836 0.870 -4.941 1.00 0.00 C ATOM 1211 CG PHE A 76 4.363 1.243 -3.585 1.00 0.00 C ATOM 1212 CD1 PHE A 76 5.074 0.327 -2.827 1.00 0.00 C ATOM 1213 CD2 PHE A 76 4.148 2.510 -3.069 1.00 0.00 C ATOM 1214 CE1 PHE A 76 5.559 0.667 -1.579 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.631 2.857 -1.821 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.339 1.935 -1.076 1.00 0.00 C ATOM 0 H PHE A 76 4.675 3.112 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 76 5.817 0.678 -5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.947 1.464 -5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.525 -0.175 -4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.251 -0.665 -3.216 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.596 3.236 -3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.109 -0.057 -0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.455 3.848 -1.429 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.720 2.204 -0.102 1.00 0.00 H new ATOM 1226 N LEU A 77 3.239 0.685 -7.838 1.00 0.00 N ATOM 1227 CA LEU A 77 2.696 0.040 -9.029 1.00 0.00 C ATOM 1228 C LEU A 77 3.715 0.047 -10.164 1.00 0.00 C ATOM 1229 O LEU A 77 3.860 -0.938 -10.889 1.00 0.00 O ATOM 1230 CB LEU A 77 1.415 0.746 -9.475 1.00 0.00 C ATOM 1231 CG LEU A 77 0.957 0.465 -10.907 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.288 -0.897 -10.996 1.00 0.00 C ATOM 1233 CD2 LEU A 77 0.015 1.558 -11.390 1.00 0.00 C ATOM 0 H LEU A 77 2.654 1.429 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 77 2.465 -0.995 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.612 0.461 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.559 1.821 -9.365 1.00 0.00 H new ATOM 0 HG LEU A 77 1.834 0.458 -11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.031 -1.079 -12.022 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.994 -1.670 -10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.580 -0.920 -10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.301 1.341 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.859 1.598 -10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.529 2.519 -11.365 1.00 0.00 H new ATOM 1245 N LYS A 78 4.422 1.162 -10.311 1.00 0.00 N ATOM 1246 CA LYS A 78 5.431 1.297 -11.356 1.00 0.00 C ATOM 1247 C LYS A 78 6.570 0.305 -11.143 1.00 0.00 C ATOM 1248 O LYS A 78 7.079 -0.283 -12.096 1.00 0.00 O ATOM 1249 CB LYS A 78 5.982 2.724 -11.380 1.00 0.00 C ATOM 1250 CG LYS A 78 7.188 2.895 -12.287 1.00 0.00 C ATOM 1251 CD LYS A 78 7.343 4.336 -12.744 1.00 0.00 C ATOM 1252 CE LYS A 78 7.898 5.216 -11.634 1.00 0.00 C ATOM 1253 NZ LYS A 78 8.216 6.587 -12.121 1.00 0.00 N ATOM 0 H LYS A 78 4.315 1.986 -9.720 1.00 0.00 H new ATOM 0 HA LYS A 78 4.958 1.081 -12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.194 3.403 -11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.256 3.016 -10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.089 2.581 -11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.085 2.246 -13.156 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.007 4.376 -13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.376 4.722 -13.067 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.173 5.278 -10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.798 4.758 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.592 7.156 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.927 6.530 -12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.352 7.033 -12.490 1.00 0.00 H new ATOM 1267 N ASN A 79 6.963 0.123 -9.886 1.00 0.00 N ATOM 1268 CA ASN A 79 8.042 -0.799 -9.549 1.00 0.00 C ATOM 1269 C ASN A 79 7.542 -2.241 -9.539 1.00 0.00 C ATOM 1270 O ASN A 79 8.242 -3.149 -9.089 1.00 0.00 O ATOM 1271 CB ASN A 79 8.636 -0.444 -8.184 1.00 0.00 C ATOM 1272 CG ASN A 79 9.739 0.592 -8.286 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.754 0.372 -8.946 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.543 1.730 -7.630 1.00 0.00 N ATOM 0 H ASN A 79 6.551 0.601 -9.085 1.00 0.00 H new ATOM 0 HA ASN A 79 8.817 -0.707 -10.310 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.846 -0.067 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.031 -1.346 -7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.250 2.465 -7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.686 1.869 -7.095 1.00 0.00 H new ATOM 1281 N HIS A 80 6.327 -2.443 -10.038 1.00 0.00 N ATOM 1282 CA HIS A 80 5.733 -3.775 -10.088 1.00 0.00 C ATOM 1283 C HIS A 80 5.524 -4.329 -8.682 1.00 0.00 C ATOM 1284 O HIS A 80 5.621 -5.536 -8.459 1.00 0.00 O ATOM 1285 CB HIS A 80 6.621 -4.722 -10.896 1.00 0.00 C ATOM 1286 CG HIS A 80 5.932 -5.989 -11.300 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.610 -7.107 -11.740 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.618 -6.313 -11.327 1.00 0.00 C ATOM 1289 CE1 HIS A 80 5.743 -8.062 -12.022 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.527 -7.606 -11.780 1.00 0.00 N ATOM 0 H HIS A 80 5.735 -1.702 -10.413 1.00 0.00 H new ATOM 0 HA HIS A 80 4.762 -3.695 -10.576 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.969 -4.206 -11.791 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.504 -4.970 -10.307 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.795 -5.674 -11.045 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.987 -9.048 -12.388 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.661 -8.129 -11.909 1.00 0.00 H new ATOM 1298 N VAL A 81 5.237 -3.440 -7.737 1.00 0.00 N ATOM 1299 CA VAL A 81 5.013 -3.840 -6.353 1.00 0.00 C ATOM 1300 C VAL A 81 3.576 -4.301 -6.139 1.00 0.00 C ATOM 1301 O VAL A 81 3.314 -5.201 -5.340 1.00 0.00 O ATOM 1302 CB VAL A 81 5.321 -2.688 -5.379 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.040 -3.111 -3.945 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.763 -2.229 -5.535 1.00 0.00 C ATOM 0 H VAL A 81 5.154 -2.437 -7.905 1.00 0.00 H new ATOM 0 HA VAL A 81 5.691 -4.669 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 81 4.669 -1.849 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.264 -2.284 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.990 -3.386 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.665 -3.967 -3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.963 -1.414 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.435 -3.061 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.926 -1.882 -6.555 1.00 0.00 H new ATOM 1314 N ILE A 82 2.648 -3.680 -6.859 1.00 0.00 N ATOM 1315 CA ILE A 82 1.237 -4.028 -6.750 1.00 0.00 C ATOM 1316 C ILE A 82 0.537 -3.920 -8.100 1.00 0.00 C ATOM 1317 O ILE A 82 0.622 -2.893 -8.773 1.00 0.00 O ATOM 1318 CB ILE A 82 0.511 -3.125 -5.735 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.751 -1.651 -6.068 1.00 0.00 C ATOM 1320 CG2 ILE A 82 0.978 -3.437 -4.320 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.052 -0.699 -5.209 1.00 0.00 C ATOM 0 H ILE A 82 2.848 -2.933 -7.524 1.00 0.00 H new ATOM 0 HA ILE A 82 1.194 -5.060 -6.403 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.559 -3.322 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.811 -1.428 -5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.504 -1.479 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.456 -2.791 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.761 -4.479 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.052 -3.264 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.168 0.328 -5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.116 -0.895 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.212 -0.843 -4.161 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.155 -4.986 -8.489 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.871 -5.009 -9.760 1.00 0.00 C ATOM 1335 C GLU A 83 -2.380 -4.970 -9.535 1.00 0.00 C ATOM 1336 O GLU A 83 -2.874 -5.401 -8.494 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.495 -6.258 -10.559 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.097 -7.539 -10.005 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.469 -8.784 -10.602 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.211 -8.664 -11.643 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -0.657 -9.877 -10.028 1.00 0.00 O ATOM 0 H GLU A 83 -0.235 -5.844 -7.943 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.583 -4.124 -10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.821 -6.130 -11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.591 -6.355 -10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.971 -7.557 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.169 -7.547 -10.202 1.00 0.00 H new ATOM 1348 N ASP A 84 -3.105 -4.450 -10.519 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.557 -4.354 -10.431 1.00 0.00 C ATOM 1350 C ASP A 84 -5.204 -5.723 -10.614 1.00 0.00 C ATOM 1351 O ASP A 84 -4.579 -6.652 -11.127 1.00 0.00 O ATOM 1352 CB ASP A 84 -5.091 -3.380 -11.482 1.00 0.00 C ATOM 1353 CG ASP A 84 -6.359 -2.681 -11.033 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -7.424 -3.334 -11.023 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -6.288 -1.482 -10.693 1.00 0.00 O ATOM 0 H ASP A 84 -2.711 -4.088 -11.387 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.811 -3.981 -9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.327 -2.634 -11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.286 -3.921 -12.408 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.458 -5.841 -10.190 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.188 -7.097 -10.307 1.00 0.00 C ATOM 1362 C ILE A 85 -6.894 -7.782 -11.638 1.00 0.00 C ATOM 1363 O ILE A 85 -6.838 -9.009 -11.718 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.708 -6.878 -10.181 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.456 -8.190 -10.429 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.171 -5.805 -11.154 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -9.296 -9.197 -9.312 1.00 0.00 C ATOM 0 H ILE A 85 -6.989 -5.082 -9.763 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.851 -7.735 -9.490 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.929 -6.541 -9.168 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.516 -7.975 -10.564 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.099 -8.632 -11.359 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.247 -5.662 -11.053 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.658 -4.869 -10.934 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.940 -6.114 -12.173 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.853 -10.102 -9.555 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.241 -9.442 -9.191 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -9.679 -8.774 -8.383 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.705 -6.981 -12.680 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.413 -7.508 -14.008 1.00 0.00 C ATOM 1381 C LYS A 86 -4.921 -7.783 -14.168 1.00 0.00 C ATOM 1382 O LYS A 86 -4.525 -8.797 -14.742 1.00 0.00 O ATOM 1383 CB LYS A 86 -6.879 -6.524 -15.084 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.386 -6.496 -15.271 1.00 0.00 C ATOM 1385 CD LYS A 86 -8.874 -7.707 -16.049 1.00 0.00 C ATOM 1386 CE LYS A 86 -9.496 -8.747 -15.130 1.00 0.00 C ATOM 1387 NZ LYS A 86 -9.715 -10.044 -15.828 1.00 0.00 N ATOM 0 H LYS A 86 -6.749 -5.963 -12.631 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.953 -8.448 -14.125 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.535 -5.523 -14.823 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.408 -6.785 -16.032 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.874 -6.467 -14.297 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.671 -5.585 -15.797 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.607 -7.392 -16.792 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.040 -8.152 -16.592 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.848 -8.904 -14.268 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.447 -8.374 -14.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.140 -10.726 -15.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.354 -9.900 -16.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.804 -10.413 -16.168 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.098 -6.875 -13.654 1.00 0.00 N ATOM 1402 CA GLY A 87 -2.659 -7.039 -13.749 1.00 0.00 C ATOM 1403 C GLY A 87 -2.009 -5.974 -14.610 1.00 0.00 C ATOM 1404 O GLY A 87 -1.152 -6.275 -15.441 1.00 0.00 O ATOM 0 H GLY A 87 -4.402 -6.028 -13.173 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.226 -7.007 -12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.435 -8.022 -14.162 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.418 -4.725 -14.412 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.872 -3.612 -15.178 1.00 0.00 C ATOM 1410 C ARG A 88 -0.773 -2.900 -14.395 1.00 0.00 C ATOM 1411 O ARG A 88 -1.051 -2.127 -13.479 1.00 0.00 O ATOM 1412 CB ARG A 88 -2.980 -2.620 -15.538 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.688 -2.032 -14.329 1.00 0.00 C ATOM 1414 CD ARG A 88 -4.996 -1.362 -14.720 1.00 0.00 C ATOM 1415 NE ARG A 88 -6.071 -2.331 -14.913 1.00 0.00 N ATOM 1416 CZ ARG A 88 -7.224 -2.041 -15.504 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -7.451 -0.817 -15.958 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -8.154 -2.978 -15.643 1.00 0.00 N ATOM 0 H ARG A 88 -3.126 -4.459 -13.727 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.440 -4.013 -16.095 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.552 -1.809 -16.128 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.713 -3.121 -16.170 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.885 -2.820 -13.602 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.037 -1.305 -13.843 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.284 -0.650 -13.946 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.851 -0.793 -15.639 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.928 -3.283 -14.575 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.739 -0.094 -15.854 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.338 -0.598 -16.412 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.983 -3.922 -15.296 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.039 -2.754 -16.097 1.00 0.00 H new ATOM 1432 N TRP A 89 0.475 -3.167 -14.762 1.00 0.00 N ATOM 1433 CA TRP A 89 1.617 -2.552 -14.093 1.00 0.00 C ATOM 1434 C TRP A 89 2.314 -1.556 -15.013 1.00 0.00 C ATOM 1435 O TRP A 89 1.933 -1.393 -16.171 1.00 0.00 O ATOM 1436 CB TRP A 89 2.607 -3.626 -13.639 1.00 0.00 C ATOM 1437 CG TRP A 89 3.425 -4.191 -14.760 1.00 0.00 C ATOM 1438 CD1 TRP A 89 3.053 -5.174 -15.632 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.755 -3.809 -15.127 1.00 0.00 C ATOM 1440 NE1 TRP A 89 4.072 -5.426 -16.519 1.00 0.00 N ATOM 1441 CE2 TRP A 89 5.127 -4.601 -16.231 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.668 -2.873 -14.632 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 6.371 -4.484 -16.845 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.902 -2.759 -15.242 1.00 0.00 C ATOM 1445 CH2 TRP A 89 7.244 -3.560 -16.340 1.00 0.00 C ATOM 0 H TRP A 89 0.723 -3.805 -15.519 1.00 0.00 H new ATOM 0 HA TRP A 89 1.249 -2.015 -13.219 1.00 0.00 H new ATOM 0 HB2 TRP A 89 3.275 -3.201 -12.890 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.059 -4.434 -13.155 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.098 -5.679 -15.625 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.047 -6.116 -17.270 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.413 -2.250 -13.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.637 -5.101 -17.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.615 -2.040 -14.866 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.216 -3.445 -16.796 1.00 0.00 H new ATOM 1456 N GLY A 90 3.340 -0.891 -14.489 1.00 0.00 N ATOM 1457 CA GLY A 90 4.075 0.081 -15.277 1.00 0.00 C ATOM 1458 C GLY A 90 3.192 1.206 -15.779 1.00 0.00 C ATOM 1459 O GLY A 90 3.342 1.664 -16.911 1.00 0.00 O ATOM 0 H GLY A 90 3.675 -1.008 -13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.882 0.498 -14.674 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.538 -0.420 -16.127 1.00 0.00 H new ATOM 1463 N SER A 91 2.268 1.653 -14.934 1.00 0.00 N ATOM 1464 CA SER A 91 1.354 2.728 -15.300 1.00 0.00 C ATOM 1465 C SER A 91 1.579 3.955 -14.422 1.00 0.00 C ATOM 1466 O SER A 91 1.363 5.087 -14.853 1.00 0.00 O ATOM 1467 CB SER A 91 -0.097 2.258 -15.176 1.00 0.00 C ATOM 1468 OG SER A 91 -0.412 1.305 -16.177 1.00 0.00 O ATOM 0 H SER A 91 2.133 1.287 -13.992 1.00 0.00 H new ATOM 0 HA SER A 91 1.552 3.002 -16.336 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.258 1.821 -14.190 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.768 3.113 -15.259 1.00 0.00 H new ATOM 0 HG SER A 91 -1.344 1.019 -16.075 1.00 0.00 H new ATOM 1474 N GLU A 92 2.015 3.720 -13.188 1.00 0.00 N ATOM 1475 CA GLU A 92 2.269 4.806 -12.249 1.00 0.00 C ATOM 1476 C GLU A 92 1.079 5.760 -12.185 1.00 0.00 C ATOM 1477 O GLU A 92 1.244 6.961 -11.980 1.00 0.00 O ATOM 1478 CB GLU A 92 3.530 5.573 -12.650 1.00 0.00 C ATOM 1479 CG GLU A 92 3.356 6.421 -13.899 1.00 0.00 C ATOM 1480 CD GLU A 92 4.393 7.521 -14.006 1.00 0.00 C ATOM 1481 OE1 GLU A 92 5.471 7.267 -14.584 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.127 8.637 -13.513 1.00 0.00 O ATOM 0 H GLU A 92 2.199 2.788 -12.816 1.00 0.00 H new ATOM 0 HA GLU A 92 2.417 4.370 -11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.832 6.216 -11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.340 4.863 -12.813 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.418 5.781 -14.779 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.360 6.864 -13.897 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.120 5.214 -12.363 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.337 6.015 -12.327 1.00 0.00 C ATOM 1491 C ASN A 93 -2.384 5.374 -11.420 1.00 0.00 C ATOM 1492 O ASN A 93 -3.016 4.383 -11.788 1.00 0.00 O ATOM 1493 CB ASN A 93 -1.903 6.185 -13.738 1.00 0.00 C ATOM 1494 CG ASN A 93 -2.790 7.408 -13.862 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -3.346 7.889 -12.874 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -2.927 7.918 -15.081 1.00 0.00 N ATOM 0 H ASN A 93 -0.274 4.220 -12.534 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.085 6.996 -11.924 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.081 6.262 -14.449 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.474 5.297 -14.007 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.512 8.741 -15.227 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.447 7.487 -15.871 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.563 5.947 -10.234 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.534 5.433 -9.276 1.00 0.00 C ATOM 1505 C VAL A 94 -4.235 6.570 -8.541 1.00 0.00 C ATOM 1506 O VAL A 94 -3.708 7.678 -8.442 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.867 4.504 -8.244 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -2.280 3.279 -8.930 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.797 5.254 -7.466 1.00 0.00 C ATOM 0 H VAL A 94 -2.048 6.767 -9.914 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.269 4.864 -9.845 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.627 4.167 -7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.813 2.634 -8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.074 2.731 -9.438 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.532 3.593 -9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.336 4.583 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.037 5.622 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.250 6.096 -6.943 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.427 6.288 -8.026 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.201 7.286 -7.297 1.00 0.00 C ATOM 1521 C ASP A 95 -6.749 6.706 -5.997 1.00 0.00 C ATOM 1522 O ASP A 95 -6.551 5.529 -5.699 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.350 7.804 -8.164 1.00 0.00 C ATOM 1524 CG ASP A 95 -6.860 8.584 -9.369 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -6.194 9.621 -9.172 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.145 8.158 -10.508 1.00 0.00 O ATOM 0 H ASP A 95 -5.878 5.376 -8.100 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.538 8.116 -7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.955 6.962 -8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.998 8.441 -7.561 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.438 7.542 -5.227 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.015 7.112 -3.959 1.00 0.00 C ATOM 1533 C ASP A 96 -9.338 6.386 -4.182 1.00 0.00 C ATOM 1534 O ASP A 96 -10.115 6.191 -3.248 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.228 8.315 -3.038 1.00 0.00 C ATOM 1536 CG ASP A 96 -8.994 7.953 -1.781 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -8.453 7.184 -0.958 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -10.134 8.437 -1.619 1.00 0.00 O ATOM 0 H ASP A 96 -7.610 8.520 -5.459 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.317 6.421 -3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.260 8.734 -2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.769 9.092 -3.579 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.587 5.990 -5.426 1.00 0.00 N ATOM 1544 CA ASN A 97 -10.817 5.287 -5.772 1.00 0.00 C ATOM 1545 C ASN A 97 -10.925 3.971 -5.008 1.00 0.00 C ATOM 1546 O ASN A 97 -10.030 3.609 -4.246 1.00 0.00 O ATOM 1547 CB ASN A 97 -10.871 5.021 -7.278 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.283 6.249 -8.067 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -12.207 6.966 -7.683 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -10.598 6.495 -9.178 1.00 0.00 N ATOM 0 H ASN A 97 -8.954 6.144 -6.211 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.659 5.920 -5.491 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.892 4.684 -7.620 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.574 4.212 -7.476 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.830 7.306 -9.751 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.839 5.873 -9.458 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.028 3.259 -5.219 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.253 1.983 -4.550 1.00 0.00 C ATOM 1559 C ASN A 98 -11.917 0.817 -5.475 1.00 0.00 C ATOM 1560 O ASN A 98 -12.331 -0.317 -5.235 1.00 0.00 O ATOM 1561 CB ASN A 98 -13.707 1.877 -4.084 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.607 1.256 -5.135 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -14.704 1.906 -6.289 1.00 0.00 O flip ATOM 1564 ND2 ASN A 98 -15.206 0.204 -4.912 1.00 0.00 N flip ATOM 0 H ASN A 98 -12.779 3.544 -5.848 1.00 0.00 H new ATOM 0 HA ASN A 98 -11.596 1.935 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -13.751 1.280 -3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.078 2.870 -3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -15.102 -0.261 -4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -15.807 -0.203 -5.629 1.00 0.00 H new ATOM 1571 N GLN A 99 -11.165 1.105 -6.532 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.774 0.081 -7.493 1.00 0.00 C ATOM 1573 C GLN A 99 -10.009 -1.046 -6.807 1.00 0.00 C ATOM 1574 O GLN A 99 -9.087 -0.800 -6.028 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.917 0.693 -8.603 1.00 0.00 C ATOM 1576 CG GLN A 99 -10.635 1.767 -9.404 1.00 0.00 C ATOM 1577 CD GLN A 99 -9.853 2.205 -10.626 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -8.852 1.587 -10.991 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -10.306 3.276 -11.267 1.00 0.00 N ATOM 0 H GLN A 99 -10.814 2.039 -6.745 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.681 -0.335 -7.932 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.017 1.121 -8.161 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.594 -0.098 -9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.609 1.391 -9.716 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.817 2.631 -8.765 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.139 3.758 -10.930 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.821 3.617 -12.097 1.00 0.00 H new ATOM 1588 N LEU A 100 -10.398 -2.282 -7.100 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.749 -3.448 -6.511 1.00 0.00 C ATOM 1590 C LEU A 100 -8.314 -3.584 -7.012 1.00 0.00 C ATOM 1591 O LEU A 100 -8.021 -3.294 -8.172 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.538 -4.716 -6.840 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.865 -4.891 -6.101 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.610 -6.111 -6.622 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.630 -5.008 -4.602 1.00 0.00 C ATOM 0 H LEU A 100 -11.159 -2.503 -7.742 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.726 -3.312 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.737 -4.728 -7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.908 -5.579 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.479 -4.010 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.552 -6.219 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.812 -5.987 -7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.001 -7.002 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.586 -5.132 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.996 -5.871 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.140 -4.105 -4.239 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.425 -4.028 -6.130 1.00 0.00 N ATOM 1608 CA PHE A 101 -6.021 -4.204 -6.483 1.00 0.00 C ATOM 1609 C PHE A 101 -5.491 -5.535 -5.957 1.00 0.00 C ATOM 1610 O PHE A 101 -6.193 -6.260 -5.252 1.00 0.00 O ATOM 1611 CB PHE A 101 -5.184 -3.052 -5.922 1.00 0.00 C ATOM 1612 CG PHE A 101 -5.153 -1.844 -6.815 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -6.116 -0.855 -6.697 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -4.162 -1.699 -7.772 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -6.090 0.258 -7.516 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -4.131 -0.588 -8.594 1.00 0.00 C ATOM 1617 CZ PHE A 101 -5.097 0.391 -8.467 1.00 0.00 C ATOM 0 H PHE A 101 -7.652 -4.272 -5.166 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.943 -4.205 -7.570 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.582 -2.765 -4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.164 -3.400 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.896 -0.955 -5.957 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.405 -2.462 -7.877 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.845 1.023 -7.413 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.352 -0.486 -9.335 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.076 1.259 -9.110 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.248 -5.850 -6.307 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.624 -7.094 -5.873 1.00 0.00 C ATOM 1629 C ARG A 102 -2.103 -6.999 -5.962 1.00 0.00 C ATOM 1630 O ARG A 102 -1.560 -6.012 -6.460 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.123 -8.263 -6.723 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.891 -8.075 -8.214 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.398 -9.267 -9.011 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.528 -10.432 -8.867 1.00 0.00 N ATOM 1635 CZ ARG A 102 -3.640 -11.315 -7.882 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -4.581 -11.168 -6.958 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -2.811 -12.350 -7.819 1.00 0.00 N ATOM 0 H ARG A 102 -3.653 -5.261 -6.890 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.900 -7.266 -4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.624 -9.176 -6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.189 -8.402 -6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.396 -7.170 -8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.827 -7.936 -8.403 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.404 -9.523 -8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.469 -8.995 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.794 -10.575 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.221 -10.375 -7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.665 -11.848 -6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.087 -12.467 -8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.898 -13.028 -7.062 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.422 -8.031 -5.475 1.00 0.00 N ATOM 1652 CA PHE A 103 0.036 -8.063 -5.498 1.00 0.00 C ATOM 1653 C PHE A 103 0.541 -9.074 -6.523 1.00 0.00 C ATOM 1654 O PHE A 103 0.047 -10.197 -6.621 1.00 0.00 O ATOM 1655 CB PHE A 103 0.581 -8.410 -4.111 1.00 0.00 C ATOM 1656 CG PHE A 103 1.944 -7.838 -3.843 1.00 0.00 C ATOM 1657 CD1 PHE A 103 3.074 -8.418 -4.396 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.095 -6.721 -3.037 1.00 0.00 C ATOM 1659 CE1 PHE A 103 4.329 -7.894 -4.150 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.347 -6.193 -2.787 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.466 -6.779 -3.346 1.00 0.00 C ATOM 0 H PHE A 103 -1.856 -8.856 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 103 0.392 -7.073 -5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.113 -8.044 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.624 -9.494 -4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.973 -9.289 -5.026 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.223 -6.258 -2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 103 5.202 -8.356 -4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.451 -5.323 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.446 -6.366 -3.155 1.00 0.00 H new ATOM 1671 N PRO A 104 1.551 -8.667 -7.307 1.00 0.00 N ATOM 1672 CA PRO A 104 2.146 -9.521 -8.339 1.00 0.00 C ATOM 1673 C PRO A 104 2.944 -10.677 -7.746 1.00 0.00 C ATOM 1674 O PRO A 104 2.928 -10.897 -6.535 1.00 0.00 O ATOM 1675 CB PRO A 104 3.071 -8.567 -9.099 1.00 0.00 C ATOM 1676 CG PRO A 104 3.406 -7.500 -8.115 1.00 0.00 C ATOM 1677 CD PRO A 104 2.189 -7.341 -7.246 1.00 0.00 C ATOM 0 HA PRO A 104 1.388 -9.991 -8.966 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.968 -9.079 -9.448 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.577 -8.154 -9.978 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.277 -7.777 -7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.649 -6.565 -8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.457 -7.071 -6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.528 -6.559 -7.620 1.00 0.00 H new ATOM 1685 N ALA A 105 3.641 -11.412 -8.606 1.00 0.00 N ATOM 1686 CA ALA A 105 4.447 -12.544 -8.165 1.00 0.00 C ATOM 1687 C ALA A 105 5.467 -12.938 -9.229 1.00 0.00 C ATOM 1688 O ALA A 105 5.341 -12.559 -10.394 1.00 0.00 O ATOM 1689 CB ALA A 105 3.554 -13.727 -7.824 1.00 0.00 C ATOM 0 H ALA A 105 3.664 -11.244 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 105 4.991 -12.244 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.169 -14.565 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.868 -13.446 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.984 -14.019 -8.706 1.00 0.00 H new