USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=12 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 65 THR OG1 : rot 180:sc= -0.507 USER MOD Set 1.2: A 67 GLN : amide:sc= 0.0962 X(o=-2.9,f=-3.1) USER MOD Set 1.3: A 68 GLN : amide:sc= -2.47 K(o=-2.9,f=-5!) USER MOD Single : A 11 THR OG1 : rot 24:sc= 0.0739 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.693 K(o=-0.69,f=-3.9!) USER MOD Single : A 18 THR OG1 : rot -11:sc= 0.919 USER MOD Single : A 19 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 25:sc= -3.79! USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -6! C(o=-6!,f=-9.2!) USER MOD Single : A 57 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.34 X(o=-1.3,f=-0.89) USER MOD Single : A 69 THR OG1 : rot 140:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= -0.0282 (180deg=-0.302) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.263 K(o=-0.26,f=-0.76) USER MOD Single : A 80 HIS : no HD1:sc= -4.62! C(o=-4.6!,f=-2.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0745 USER MOD Single : A 93 ASN : amide:sc=-0.00752 K(o=-0.0075,f=-0.71) USER MOD Single : A 97 ASN : amide:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.7) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD ----------------------------------------------------------------- ATOM 121 N THR A 11 18.529 3.493 -0.457 1.00 0.00 N ATOM 122 CA THR A 11 17.694 2.341 -0.775 1.00 0.00 C ATOM 123 C THR A 11 17.033 1.778 0.478 1.00 0.00 C ATOM 124 O THR A 11 15.823 1.554 0.508 1.00 0.00 O ATOM 125 CB THR A 11 18.509 1.226 -1.456 1.00 0.00 C ATOM 126 OG1 THR A 11 19.125 1.728 -2.648 1.00 0.00 O ATOM 127 CG2 THR A 11 17.622 0.039 -1.799 1.00 0.00 C ATOM 0 HA THR A 11 16.924 2.690 -1.463 1.00 0.00 H new ATOM 0 HB THR A 11 19.280 0.894 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.218 2.701 -2.583 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.220 -0.735 -2.279 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.178 -0.359 -0.887 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.831 0.360 -2.478 1.00 0.00 H new ATOM 135 N LYS A 12 17.835 1.552 1.513 1.00 0.00 N ATOM 136 CA LYS A 12 17.329 1.017 2.772 1.00 0.00 C ATOM 137 C LYS A 12 15.951 1.587 3.090 1.00 0.00 C ATOM 138 O LYS A 12 14.988 0.843 3.278 1.00 0.00 O ATOM 139 CB LYS A 12 18.300 1.335 3.912 1.00 0.00 C ATOM 140 CG LYS A 12 17.758 0.984 5.287 1.00 0.00 C ATOM 141 CD LYS A 12 17.837 -0.509 5.553 1.00 0.00 C ATOM 142 CE LYS A 12 19.195 -0.905 6.111 1.00 0.00 C ATOM 143 NZ LYS A 12 19.264 -0.723 7.587 1.00 0.00 N ATOM 0 H LYS A 12 18.839 1.731 1.505 1.00 0.00 H new ATOM 0 HA LYS A 12 17.241 -0.065 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.231 0.792 3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.542 2.397 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.323 1.521 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.722 1.314 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.056 -0.796 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.649 -1.055 4.628 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.399 -1.947 5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.972 -0.306 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.206 -1.004 7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.095 0.276 7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.540 -1.314 8.044 1.00 0.00 H new ATOM 157 N LEU A 13 15.862 2.912 3.147 1.00 0.00 N ATOM 158 CA LEU A 13 14.600 3.582 3.441 1.00 0.00 C ATOM 159 C LEU A 13 13.465 2.997 2.606 1.00 0.00 C ATOM 160 O LEU A 13 12.517 2.426 3.144 1.00 0.00 O ATOM 161 CB LEU A 13 14.723 5.083 3.175 1.00 0.00 C ATOM 162 CG LEU A 13 13.844 5.992 4.035 1.00 0.00 C ATOM 163 CD1 LEU A 13 14.317 7.434 3.943 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.387 5.879 3.613 1.00 0.00 C ATOM 0 H LEU A 13 16.649 3.543 2.994 1.00 0.00 H new ATOM 0 HA LEU A 13 14.370 3.424 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.763 5.373 3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.485 5.267 2.127 1.00 0.00 H new ATOM 0 HG LEU A 13 13.927 5.670 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.680 8.066 4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.346 7.502 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.264 7.769 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.776 6.533 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.287 6.175 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.053 4.848 3.732 1.00 0.00 H new ATOM 176 N TRP A 14 13.571 3.143 1.290 1.00 0.00 N ATOM 177 CA TRP A 14 12.554 2.627 0.381 1.00 0.00 C ATOM 178 C TRP A 14 12.174 1.195 0.745 1.00 0.00 C ATOM 179 O TRP A 14 10.999 0.884 0.931 1.00 0.00 O ATOM 180 CB TRP A 14 13.056 2.683 -1.063 1.00 0.00 C ATOM 181 CG TRP A 14 12.372 1.704 -1.968 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.777 0.431 -2.254 1.00 0.00 C ATOM 183 CD2 TRP A 14 11.165 1.919 -2.707 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.894 -0.158 -3.126 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.896 0.733 -3.419 1.00 0.00 C ATOM 186 CE3 TRP A 14 10.284 2.996 -2.836 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.784 0.598 -4.246 1.00 0.00 C ATOM 188 CZ3 TRP A 14 9.181 2.860 -3.657 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.938 1.669 -4.353 1.00 0.00 C ATOM 0 H TRP A 14 14.350 3.614 0.829 1.00 0.00 H new ATOM 0 HA TRP A 14 11.667 3.253 0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.909 3.690 -1.452 1.00 0.00 H new ATOM 0 HB3 TRP A 14 14.129 2.490 -1.075 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.661 -0.043 -1.854 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.969 -1.106 -3.496 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.462 3.918 -2.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.596 -0.319 -4.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.494 3.687 -3.764 1.00 0.00 H new ATOM 0 HH2 TRP A 14 8.066 1.594 -4.986 1.00 0.00 H new ATOM 200 N ASN A 15 13.177 0.329 0.844 1.00 0.00 N ATOM 201 CA ASN A 15 12.947 -1.070 1.185 1.00 0.00 C ATOM 202 C ASN A 15 12.014 -1.191 2.387 1.00 0.00 C ATOM 203 O ASN A 15 11.024 -1.920 2.345 1.00 0.00 O ATOM 204 CB ASN A 15 14.274 -1.769 1.484 1.00 0.00 C ATOM 205 CG ASN A 15 15.031 -2.136 0.222 1.00 0.00 C ATOM 206 OD1 ASN A 15 15.068 -1.367 -0.739 1.00 0.00 O ATOM 207 ND2 ASN A 15 15.640 -3.317 0.219 1.00 0.00 N ATOM 0 H ASN A 15 14.156 0.571 0.693 1.00 0.00 H new ATOM 0 HA ASN A 15 12.474 -1.553 0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.894 -1.118 2.100 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.084 -2.671 2.066 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.165 -3.618 -0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.583 -3.922 1.038 1.00 0.00 H new ATOM 214 N GLU A 16 12.339 -0.470 3.455 1.00 0.00 N ATOM 215 CA GLU A 16 11.530 -0.497 4.668 1.00 0.00 C ATOM 216 C GLU A 16 10.054 -0.282 4.343 1.00 0.00 C ATOM 217 O GLU A 16 9.198 -1.072 4.742 1.00 0.00 O ATOM 218 CB GLU A 16 12.008 0.575 5.651 1.00 0.00 C ATOM 219 CG GLU A 16 11.677 0.263 7.100 1.00 0.00 C ATOM 220 CD GLU A 16 11.644 1.504 7.971 1.00 0.00 C ATOM 221 OE1 GLU A 16 10.775 2.370 7.736 1.00 0.00 O ATOM 222 OE2 GLU A 16 12.486 1.610 8.887 1.00 0.00 O ATOM 0 H GLU A 16 13.156 0.139 3.505 1.00 0.00 H new ATOM 0 HA GLU A 16 11.644 -1.479 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.087 0.693 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.557 1.530 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.709 -0.236 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.415 -0.434 7.495 1.00 0.00 H new ATOM 229 N VAL A 17 9.765 0.793 3.617 1.00 0.00 N ATOM 230 CA VAL A 17 8.394 1.112 3.237 1.00 0.00 C ATOM 231 C VAL A 17 7.727 -0.069 2.541 1.00 0.00 C ATOM 232 O VAL A 17 6.695 -0.568 2.991 1.00 0.00 O ATOM 233 CB VAL A 17 8.340 2.339 2.307 1.00 0.00 C ATOM 234 CG1 VAL A 17 6.907 2.626 1.885 1.00 0.00 C ATOM 235 CG2 VAL A 17 8.957 3.551 2.989 1.00 0.00 C ATOM 0 H VAL A 17 10.462 1.458 3.280 1.00 0.00 H new ATOM 0 HA VAL A 17 7.856 1.339 4.157 1.00 0.00 H new ATOM 0 HB VAL A 17 8.920 2.120 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.888 3.496 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.504 1.763 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.300 2.825 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.911 4.409 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.406 3.774 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.997 3.339 3.236 1.00 0.00 H new ATOM 245 N THR A 18 8.324 -0.514 1.439 1.00 0.00 N ATOM 246 CA THR A 18 7.788 -1.636 0.680 1.00 0.00 C ATOM 247 C THR A 18 7.580 -2.854 1.572 1.00 0.00 C ATOM 248 O THR A 18 6.572 -3.553 1.461 1.00 0.00 O ATOM 249 CB THR A 18 8.719 -2.021 -0.486 1.00 0.00 C ATOM 250 OG1 THR A 18 10.061 -2.172 -0.012 1.00 0.00 O ATOM 251 CG2 THR A 18 8.679 -0.966 -1.581 1.00 0.00 C ATOM 0 H THR A 18 9.179 -0.114 1.053 1.00 0.00 H new ATOM 0 HA THR A 18 6.827 -1.315 0.278 1.00 0.00 H new ATOM 0 HB THR A 18 8.372 -2.967 -0.901 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.127 -1.821 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.344 -1.259 -2.393 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.661 -0.874 -1.960 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.003 -0.008 -1.175 1.00 0.00 H new ATOM 259 N THR A 19 8.539 -3.104 2.458 1.00 0.00 N ATOM 260 CA THR A 19 8.460 -4.239 3.369 1.00 0.00 C ATOM 261 C THR A 19 7.264 -4.111 4.305 1.00 0.00 C ATOM 262 O THR A 19 6.351 -4.937 4.277 1.00 0.00 O ATOM 263 CB THR A 19 9.743 -4.373 4.211 1.00 0.00 C ATOM 264 OG1 THR A 19 10.884 -4.486 3.352 1.00 0.00 O ATOM 265 CG2 THR A 19 9.668 -5.588 5.123 1.00 0.00 C ATOM 0 H THR A 19 9.379 -2.536 2.564 1.00 0.00 H new ATOM 0 HA THR A 19 8.342 -5.131 2.753 1.00 0.00 H new ATOM 0 HB THR A 19 9.840 -3.480 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.052 -3.624 2.916 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.585 -5.661 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.816 -5.486 5.796 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.549 -6.488 4.520 1.00 0.00 H new ATOM 273 N SER A 20 7.273 -3.071 5.132 1.00 0.00 N ATOM 274 CA SER A 20 6.189 -2.837 6.078 1.00 0.00 C ATOM 275 C SER A 20 4.841 -2.811 5.365 1.00 0.00 C ATOM 276 O SER A 20 3.894 -3.480 5.778 1.00 0.00 O ATOM 277 CB SER A 20 6.410 -1.519 6.823 1.00 0.00 C ATOM 278 OG SER A 20 7.474 -1.630 7.752 1.00 0.00 O ATOM 0 H SER A 20 8.019 -2.377 5.166 1.00 0.00 H new ATOM 0 HA SER A 20 6.184 -3.657 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.629 -0.726 6.108 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.496 -1.235 7.345 1.00 0.00 H new ATOM 0 HG SER A 20 7.596 -0.774 8.214 1.00 0.00 H new ATOM 284 N PHE A 21 4.762 -2.033 4.290 1.00 0.00 N ATOM 285 CA PHE A 21 3.530 -1.919 3.518 1.00 0.00 C ATOM 286 C PHE A 21 3.009 -3.296 3.117 1.00 0.00 C ATOM 287 O PHE A 21 1.826 -3.594 3.277 1.00 0.00 O ATOM 288 CB PHE A 21 3.764 -1.066 2.269 1.00 0.00 C ATOM 289 CG PHE A 21 2.626 -1.112 1.290 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.552 -2.118 0.340 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.630 -0.149 1.320 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.505 -2.164 -0.562 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.581 -0.190 0.421 1.00 0.00 C ATOM 294 CZ PHE A 21 0.519 -1.198 -0.522 1.00 0.00 C ATOM 0 H PHE A 21 5.536 -1.472 3.934 1.00 0.00 H new ATOM 0 HA PHE A 21 2.781 -1.436 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.931 -0.032 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.674 -1.404 1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.321 -2.875 0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.674 0.642 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.458 -2.954 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.190 0.566 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.299 -1.230 -1.226 1.00 0.00 H new ATOM 304 N ARG A 22 3.902 -4.131 2.595 1.00 0.00 N ATOM 305 CA ARG A 22 3.533 -5.475 2.170 1.00 0.00 C ATOM 306 C ARG A 22 2.583 -6.122 3.174 1.00 0.00 C ATOM 307 O ARG A 22 1.450 -6.466 2.838 1.00 0.00 O ATOM 308 CB ARG A 22 4.782 -6.341 2.003 1.00 0.00 C ATOM 309 CG ARG A 22 4.479 -7.785 1.636 1.00 0.00 C ATOM 310 CD ARG A 22 5.594 -8.394 0.801 1.00 0.00 C ATOM 311 NE ARG A 22 6.735 -8.795 1.621 1.00 0.00 N ATOM 312 CZ ARG A 22 7.605 -9.732 1.262 1.00 0.00 C ATOM 313 NH1 ARG A 22 7.466 -10.361 0.104 1.00 0.00 N ATOM 314 NH2 ARG A 22 8.617 -10.041 2.063 1.00 0.00 N ATOM 0 H ARG A 22 4.886 -3.900 2.457 1.00 0.00 H new ATOM 0 HA ARG A 22 3.022 -5.397 1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.416 -5.904 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.353 -6.323 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.342 -8.371 2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.541 -7.832 1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.212 -9.261 0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.921 -7.673 0.052 1.00 0.00 H new ATOM 0 HE ARG A 22 6.871 -8.330 2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.689 -10.126 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.136 -11.080 -0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.727 -9.559 2.955 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.285 -10.761 1.787 1.00 0.00 H new ATOM 328 N ALA A 23 3.053 -6.283 4.406 1.00 0.00 N ATOM 329 CA ALA A 23 2.246 -6.887 5.459 1.00 0.00 C ATOM 330 C ALA A 23 1.045 -6.011 5.800 1.00 0.00 C ATOM 331 O ALA A 23 -0.102 -6.411 5.606 1.00 0.00 O ATOM 332 CB ALA A 23 3.093 -7.130 6.699 1.00 0.00 C ATOM 0 H ALA A 23 3.989 -6.004 4.700 1.00 0.00 H new ATOM 0 HA ALA A 23 1.873 -7.844 5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.478 -7.581 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.916 -7.801 6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.494 -6.182 7.058 1.00 0.00 H new ATOM 338 N GLY A 24 1.316 -4.813 6.309 1.00 0.00 N ATOM 339 CA GLY A 24 0.247 -3.901 6.670 1.00 0.00 C ATOM 340 C GLY A 24 -0.982 -4.622 7.185 1.00 0.00 C ATOM 341 O GLY A 24 -0.880 -5.504 8.038 1.00 0.00 O ATOM 0 H GLY A 24 2.257 -4.458 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.605 -3.210 7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.025 -3.302 5.801 1.00 0.00 H new ATOM 622 N CYS A 40 -8.245 -9.552 -3.420 1.00 0.00 N ATOM 623 CA CYS A 40 -7.973 -8.208 -3.917 1.00 0.00 C ATOM 624 C CYS A 40 -8.354 -7.157 -2.880 1.00 0.00 C ATOM 625 O CYS A 40 -9.153 -7.419 -1.980 1.00 0.00 O ATOM 626 CB CYS A 40 -8.738 -7.959 -5.218 1.00 0.00 C ATOM 627 SG CYS A 40 -10.524 -8.204 -5.083 1.00 0.00 S ATOM 0 HA CYS A 40 -6.903 -8.129 -4.112 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.546 -6.939 -5.550 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.348 -8.624 -5.989 1.00 0.00 H new ATOM 0 HG CYS A 40 -10.894 -8.032 -3.849 1.00 0.00 H new ATOM 633 N PHE A 41 -7.777 -5.967 -3.011 1.00 0.00 N ATOM 634 CA PHE A 41 -8.054 -4.877 -2.083 1.00 0.00 C ATOM 635 C PHE A 41 -8.082 -3.537 -2.812 1.00 0.00 C ATOM 636 O PHE A 41 -7.250 -3.271 -3.681 1.00 0.00 O ATOM 637 CB PHE A 41 -7.002 -4.845 -0.972 1.00 0.00 C ATOM 638 CG PHE A 41 -5.590 -4.873 -1.483 1.00 0.00 C ATOM 639 CD1 PHE A 41 -4.976 -6.075 -1.796 1.00 0.00 C ATOM 640 CD2 PHE A 41 -4.876 -3.697 -1.652 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.676 -6.104 -2.265 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.576 -3.720 -2.121 1.00 0.00 C ATOM 643 CZ PHE A 41 -2.976 -4.925 -2.429 1.00 0.00 C ATOM 0 H PHE A 41 -7.115 -5.733 -3.751 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.035 -5.050 -1.640 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.145 -3.946 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.158 -5.697 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.519 -7.000 -1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.341 -2.752 -1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.208 -7.048 -2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.030 -2.797 -2.246 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.961 -4.945 -2.798 1.00 0.00 H new ATOM 653 N THR A 42 -9.045 -2.694 -2.452 1.00 0.00 N ATOM 654 CA THR A 42 -9.184 -1.382 -3.072 1.00 0.00 C ATOM 655 C THR A 42 -8.018 -0.473 -2.701 1.00 0.00 C ATOM 656 O THR A 42 -7.377 -0.660 -1.667 1.00 0.00 O ATOM 657 CB THR A 42 -10.503 -0.702 -2.658 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.535 -0.519 -1.238 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.700 -1.533 -3.095 1.00 0.00 C ATOM 0 H THR A 42 -9.740 -2.897 -1.734 1.00 0.00 H new ATOM 0 HA THR A 42 -9.189 -1.540 -4.150 1.00 0.00 H new ATOM 0 HB THR A 42 -10.556 0.269 -3.150 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.376 -0.085 -0.983 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.620 -1.033 -2.792 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.688 -1.646 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.650 -2.516 -2.628 1.00 0.00 H new ATOM 667 N ALA A 43 -7.749 0.513 -3.550 1.00 0.00 N ATOM 668 CA ALA A 43 -6.662 1.453 -3.310 1.00 0.00 C ATOM 669 C ALA A 43 -6.984 2.379 -2.141 1.00 0.00 C ATOM 670 O ALA A 43 -6.156 2.590 -1.257 1.00 0.00 O ATOM 671 CB ALA A 43 -6.378 2.265 -4.565 1.00 0.00 C ATOM 0 H ALA A 43 -8.270 0.681 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.771 0.880 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.564 2.963 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.095 1.594 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.272 2.821 -4.849 1.00 0.00 H new ATOM 677 N GLY A 44 -8.195 2.929 -2.145 1.00 0.00 N ATOM 678 CA GLY A 44 -8.605 3.826 -1.081 1.00 0.00 C ATOM 679 C GLY A 44 -8.151 3.352 0.285 1.00 0.00 C ATOM 680 O GLY A 44 -7.500 4.092 1.021 1.00 0.00 O ATOM 0 H GLY A 44 -8.899 2.769 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.199 4.819 -1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.691 3.919 -1.087 1.00 0.00 H new ATOM 684 N GLU A 45 -8.496 2.113 0.625 1.00 0.00 N ATOM 685 CA GLU A 45 -8.121 1.543 1.913 1.00 0.00 C ATOM 686 C GLU A 45 -6.610 1.605 2.116 1.00 0.00 C ATOM 687 O GLU A 45 -6.132 1.923 3.205 1.00 0.00 O ATOM 688 CB GLU A 45 -8.601 0.093 2.013 1.00 0.00 C ATOM 689 CG GLU A 45 -10.106 -0.040 2.172 1.00 0.00 C ATOM 690 CD GLU A 45 -10.510 -1.346 2.828 1.00 0.00 C ATOM 691 OE1 GLU A 45 -9.786 -2.348 2.652 1.00 0.00 O ATOM 692 OE2 GLU A 45 -11.551 -1.366 3.517 1.00 0.00 O ATOM 0 H GLU A 45 -9.034 1.486 0.026 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.600 2.132 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.290 -0.447 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.111 -0.386 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.480 0.793 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.579 0.032 1.193 1.00 0.00 H new ATOM 699 N ALA A 46 -5.863 1.298 1.060 1.00 0.00 N ATOM 700 CA ALA A 46 -4.407 1.320 1.121 1.00 0.00 C ATOM 701 C ALA A 46 -3.896 2.695 1.536 1.00 0.00 C ATOM 702 O ALA A 46 -2.987 2.809 2.358 1.00 0.00 O ATOM 703 CB ALA A 46 -3.817 0.918 -0.222 1.00 0.00 C ATOM 0 H ALA A 46 -6.243 1.031 0.152 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.088 0.601 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.729 0.939 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.147 -0.089 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.152 1.616 -0.990 1.00 0.00 H new ATOM 709 N VAL A 47 -4.486 3.739 0.962 1.00 0.00 N ATOM 710 CA VAL A 47 -4.090 5.107 1.272 1.00 0.00 C ATOM 711 C VAL A 47 -3.973 5.317 2.778 1.00 0.00 C ATOM 712 O VAL A 47 -2.999 5.896 3.260 1.00 0.00 O ATOM 713 CB VAL A 47 -5.093 6.126 0.699 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.712 7.540 1.109 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.171 6.002 -0.815 1.00 0.00 C ATOM 0 H VAL A 47 -5.240 3.663 0.280 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.117 5.267 0.809 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.079 5.909 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.432 8.246 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.713 7.616 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.717 7.773 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.884 6.729 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.188 6.191 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.497 4.996 -1.081 1.00 0.00 H new ATOM 725 N ASP A 48 -4.971 4.843 3.515 1.00 0.00 N ATOM 726 CA ASP A 48 -4.980 4.977 4.967 1.00 0.00 C ATOM 727 C ASP A 48 -3.869 4.143 5.596 1.00 0.00 C ATOM 728 O ASP A 48 -3.125 4.626 6.450 1.00 0.00 O ATOM 729 CB ASP A 48 -6.337 4.552 5.531 1.00 0.00 C ATOM 730 CG ASP A 48 -6.442 4.788 7.025 1.00 0.00 C ATOM 731 OD1 ASP A 48 -5.882 5.795 7.508 1.00 0.00 O ATOM 732 OD2 ASP A 48 -7.085 3.966 7.711 1.00 0.00 O ATOM 0 H ASP A 48 -5.785 4.362 3.131 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.806 6.025 5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.128 5.104 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.500 3.495 5.321 1.00 0.00 H new ATOM 737 N TRP A 49 -3.763 2.890 5.170 1.00 0.00 N ATOM 738 CA TRP A 49 -2.743 1.988 5.693 1.00 0.00 C ATOM 739 C TRP A 49 -1.349 2.578 5.509 1.00 0.00 C ATOM 740 O TRP A 49 -0.624 2.798 6.480 1.00 0.00 O ATOM 741 CB TRP A 49 -2.831 0.628 4.999 1.00 0.00 C ATOM 742 CG TRP A 49 -1.532 -0.119 4.991 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.029 -0.877 3.972 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.572 -0.182 6.051 1.00 0.00 C ATOM 745 NE1 TRP A 49 0.186 -1.407 4.335 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.489 -0.994 5.606 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.505 0.371 7.333 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.601 -1.267 6.399 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.600 0.100 8.118 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.640 -0.712 7.649 1.00 0.00 C ATOM 0 H TRP A 49 -4.371 2.475 4.464 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.923 1.855 6.760 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.588 0.022 5.497 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.165 0.773 3.972 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.515 -1.036 3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.768 -2.010 3.753 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.302 0.999 7.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.404 -1.894 6.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.662 0.522 9.110 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.490 -0.904 8.287 1.00 0.00 H new ATOM 761 N LEU A 50 -0.980 2.832 4.259 1.00 0.00 N ATOM 762 CA LEU A 50 0.329 3.397 3.948 1.00 0.00 C ATOM 763 C LEU A 50 0.513 4.751 4.626 1.00 0.00 C ATOM 764 O LEU A 50 1.560 5.025 5.213 1.00 0.00 O ATOM 765 CB LEU A 50 0.495 3.546 2.434 1.00 0.00 C ATOM 766 CG LEU A 50 1.677 4.398 1.969 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.993 3.713 2.306 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.583 4.671 0.475 1.00 0.00 C ATOM 0 H LEU A 50 -1.568 2.656 3.444 1.00 0.00 H new ATOM 0 HA LEU A 50 1.091 2.715 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.597 2.551 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.420 3.978 2.029 1.00 0.00 H new ATOM 0 HG LEU A 50 1.642 5.352 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.823 4.333 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.063 3.570 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.037 2.745 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.432 5.278 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.592 3.726 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.657 5.204 0.260 1.00 0.00 H new ATOM 780 N TYR A 51 -0.512 5.592 4.545 1.00 0.00 N ATOM 781 CA TYR A 51 -0.463 6.917 5.151 1.00 0.00 C ATOM 782 C TYR A 51 -0.139 6.824 6.639 1.00 0.00 C ATOM 783 O TYR A 51 0.747 7.518 7.137 1.00 0.00 O ATOM 784 CB TYR A 51 -1.796 7.641 4.953 1.00 0.00 C ATOM 785 CG TYR A 51 -1.975 8.839 5.857 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.299 10.028 5.610 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.819 8.783 6.960 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.459 11.125 6.434 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.986 9.875 7.788 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.304 11.044 7.522 1.00 0.00 C ATOM 791 OH TYR A 51 -2.466 12.134 8.345 1.00 0.00 O ATOM 0 H TYR A 51 -1.387 5.380 4.066 1.00 0.00 H new ATOM 0 HA TYR A 51 0.328 7.484 4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.873 7.965 3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.611 6.939 5.129 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.637 10.095 4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.354 7.869 7.173 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.926 12.041 6.228 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.647 9.814 8.640 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.095 11.911 9.063 1.00 0.00 H new ATOM 801 N ASP A 52 -0.863 5.960 7.342 1.00 0.00 N ATOM 802 CA ASP A 52 -0.652 5.773 8.773 1.00 0.00 C ATOM 803 C ASP A 52 0.774 5.311 9.057 1.00 0.00 C ATOM 804 O ASP A 52 1.294 5.508 10.156 1.00 0.00 O ATOM 805 CB ASP A 52 -1.651 4.757 9.329 1.00 0.00 C ATOM 806 CG ASP A 52 -1.107 4.007 10.529 1.00 0.00 C ATOM 807 OD1 ASP A 52 -1.122 4.576 11.641 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.667 2.851 10.357 1.00 0.00 O ATOM 0 H ASP A 52 -1.601 5.378 6.945 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.809 6.732 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.569 5.272 9.612 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.913 4.044 8.547 1.00 0.00 H new ATOM 813 N LEU A 53 1.400 4.695 8.060 1.00 0.00 N ATOM 814 CA LEU A 53 2.766 4.204 8.202 1.00 0.00 C ATOM 815 C LEU A 53 3.774 5.327 7.983 1.00 0.00 C ATOM 816 O LEU A 53 4.846 5.340 8.589 1.00 0.00 O ATOM 817 CB LEU A 53 3.026 3.068 7.211 1.00 0.00 C ATOM 818 CG LEU A 53 4.455 2.526 7.171 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.646 1.447 8.226 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.782 1.985 5.787 1.00 0.00 C ATOM 0 H LEU A 53 0.983 4.524 7.145 1.00 0.00 H new ATOM 0 HA LEU A 53 2.887 3.826 9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.353 2.244 7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.763 3.417 6.212 1.00 0.00 H new ATOM 0 HG LEU A 53 5.140 3.345 7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.669 1.073 8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.454 1.866 9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.952 0.628 8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.803 1.604 5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.091 1.179 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.686 2.784 5.052 1.00 0.00 H new ATOM 832 N LEU A 54 3.423 6.269 7.114 1.00 0.00 N ATOM 833 CA LEU A 54 4.297 7.398 6.816 1.00 0.00 C ATOM 834 C LEU A 54 4.188 8.471 7.896 1.00 0.00 C ATOM 835 O LEU A 54 5.194 8.905 8.457 1.00 0.00 O ATOM 836 CB LEU A 54 3.945 7.994 5.452 1.00 0.00 C ATOM 837 CG LEU A 54 4.176 7.087 4.243 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.516 7.671 3.004 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.665 6.879 4.010 1.00 0.00 C ATOM 0 H LEU A 54 2.540 6.273 6.604 1.00 0.00 H new ATOM 0 HA LEU A 54 5.324 7.035 6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.895 8.287 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.528 8.905 5.314 1.00 0.00 H new ATOM 0 HG LEU A 54 3.722 6.117 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.691 7.012 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.444 7.767 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.940 8.653 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.811 6.231 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.143 7.842 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.110 6.415 4.890 1.00 0.00 H new ATOM 851 N ARG A 55 2.960 8.892 8.182 1.00 0.00 N ATOM 852 CA ARG A 55 2.720 9.912 9.195 1.00 0.00 C ATOM 853 C ARG A 55 3.424 9.558 10.502 1.00 0.00 C ATOM 854 O ARG A 55 4.126 10.383 11.084 1.00 0.00 O ATOM 855 CB ARG A 55 1.218 10.074 9.440 1.00 0.00 C ATOM 856 CG ARG A 55 0.591 8.901 10.175 1.00 0.00 C ATOM 857 CD ARG A 55 -0.923 9.030 10.241 1.00 0.00 C ATOM 858 NE ARG A 55 -1.495 8.221 11.313 1.00 0.00 N ATOM 859 CZ ARG A 55 -1.590 8.632 12.573 1.00 0.00 C ATOM 860 NH1 ARG A 55 -1.153 9.836 12.916 1.00 0.00 N ATOM 861 NH2 ARG A 55 -2.123 7.838 13.493 1.00 0.00 N ATOM 0 H ARG A 55 2.117 8.543 7.727 1.00 0.00 H new ATOM 0 HA ARG A 55 3.126 10.855 8.828 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.048 10.985 10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.714 10.203 8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.856 7.971 9.672 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.997 8.844 11.185 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.191 10.075 10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.355 8.726 9.287 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.841 7.289 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.743 10.449 12.212 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.227 10.149 13.884 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.460 6.911 13.233 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.195 8.155 14.460 1.00 0.00 H new ATOM 875 N ASN A 56 3.229 8.324 10.958 1.00 0.00 N ATOM 876 CA ASN A 56 3.844 7.861 12.196 1.00 0.00 C ATOM 877 C ASN A 56 5.366 7.934 12.108 1.00 0.00 C ATOM 878 O ASN A 56 6.035 8.320 13.066 1.00 0.00 O ATOM 879 CB ASN A 56 3.408 6.426 12.501 1.00 0.00 C ATOM 880 CG ASN A 56 4.343 5.397 11.895 1.00 0.00 C ATOM 881 OD1 ASN A 56 5.554 5.439 12.111 1.00 0.00 O ATOM 882 ND2 ASN A 56 3.782 4.466 11.131 1.00 0.00 N ATOM 0 H ASN A 56 2.650 7.628 10.488 1.00 0.00 H new ATOM 0 HA ASN A 56 3.513 8.514 13.003 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.366 6.284 13.581 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.400 6.266 12.119 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.360 3.747 10.696 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.773 4.470 10.980 1.00 0.00 H new ATOM 889 N ASN A 57 5.905 7.562 10.952 1.00 0.00 N ATOM 890 CA ASN A 57 7.347 7.585 10.738 1.00 0.00 C ATOM 891 C ASN A 57 7.912 8.981 10.989 1.00 0.00 C ATOM 892 O ASN A 57 7.188 9.975 10.925 1.00 0.00 O ATOM 893 CB ASN A 57 7.680 7.136 9.314 1.00 0.00 C ATOM 894 CG ASN A 57 9.054 6.501 9.215 1.00 0.00 C ATOM 895 OD1 ASN A 57 9.356 5.537 9.919 1.00 0.00 O ATOM 896 ND2 ASN A 57 9.892 7.038 8.337 1.00 0.00 N ATOM 0 H ASN A 57 5.365 7.241 10.149 1.00 0.00 H new ATOM 0 HA ASN A 57 7.805 6.894 11.446 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.928 6.423 8.975 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.630 7.994 8.644 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.829 6.652 8.225 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.599 7.837 7.775 1.00 0.00 H new ATOM 903 N SER A 58 9.208 9.046 11.273 1.00 0.00 N ATOM 904 CA SER A 58 9.870 10.319 11.537 1.00 0.00 C ATOM 905 C SER A 58 10.320 10.977 10.236 1.00 0.00 C ATOM 906 O SER A 58 10.117 12.172 10.030 1.00 0.00 O ATOM 907 CB SER A 58 11.073 10.111 12.459 1.00 0.00 C ATOM 908 OG SER A 58 11.446 11.324 13.090 1.00 0.00 O ATOM 0 H SER A 58 9.821 8.233 11.326 1.00 0.00 H new ATOM 0 HA SER A 58 9.154 10.978 12.029 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.831 9.363 13.215 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.914 9.723 11.884 1.00 0.00 H new ATOM 0 HG SER A 58 12.216 11.165 13.675 1.00 0.00 H new ATOM 914 N ASN A 59 10.931 10.185 9.361 1.00 0.00 N ATOM 915 CA ASN A 59 11.411 10.690 8.079 1.00 0.00 C ATOM 916 C ASN A 59 10.373 11.600 7.430 1.00 0.00 C ATOM 917 O ASN A 59 10.632 12.778 7.182 1.00 0.00 O ATOM 918 CB ASN A 59 11.744 9.527 7.142 1.00 0.00 C ATOM 919 CG ASN A 59 12.647 9.947 5.998 1.00 0.00 C ATOM 920 OD1 ASN A 59 12.174 10.374 4.945 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.954 9.826 6.200 1.00 0.00 N ATOM 0 H ASN A 59 11.105 9.192 9.516 1.00 0.00 H new ATOM 0 HA ASN A 59 12.315 11.272 8.261 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.228 8.733 7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.820 9.113 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.610 10.092 5.466 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.302 9.467 7.089 1.00 0.00 H new ATOM 928 N PHE A 60 9.197 11.045 7.156 1.00 0.00 N ATOM 929 CA PHE A 60 8.119 11.806 6.535 1.00 0.00 C ATOM 930 C PHE A 60 7.400 12.671 7.566 1.00 0.00 C ATOM 931 O PHE A 60 7.153 13.854 7.336 1.00 0.00 O ATOM 932 CB PHE A 60 7.122 10.861 5.861 1.00 0.00 C ATOM 933 CG PHE A 60 7.754 9.935 4.862 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.398 8.780 5.279 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.705 10.218 3.507 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.981 7.927 4.362 1.00 0.00 C ATOM 937 CE2 PHE A 60 8.287 9.368 2.585 1.00 0.00 C ATOM 938 CZ PHE A 60 8.925 8.220 3.013 1.00 0.00 C ATOM 0 H PHE A 60 8.966 10.071 7.354 1.00 0.00 H new ATOM 0 HA PHE A 60 8.557 12.459 5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.621 10.269 6.627 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.354 11.452 5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.444 8.545 6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.206 11.113 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.481 7.031 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.243 9.601 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.379 7.553 2.295 1.00 0.00 H new ATOM 948 N GLY A 61 7.066 12.071 8.704 1.00 0.00 N ATOM 949 CA GLY A 61 6.378 12.801 9.753 1.00 0.00 C ATOM 950 C GLY A 61 4.894 12.946 9.481 1.00 0.00 C ATOM 951 O GLY A 61 4.395 12.568 8.421 1.00 0.00 O ATOM 0 H GLY A 61 7.259 11.093 8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.521 12.287 10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.824 13.790 9.855 1.00 0.00 H new ATOM 955 N PRO A 62 4.161 13.503 10.457 1.00 0.00 N ATOM 956 CA PRO A 62 2.714 13.709 10.341 1.00 0.00 C ATOM 957 C PRO A 62 2.362 14.790 9.324 1.00 0.00 C ATOM 958 O PRO A 62 1.218 14.887 8.880 1.00 0.00 O ATOM 959 CB PRO A 62 2.304 14.146 11.750 1.00 0.00 C ATOM 960 CG PRO A 62 3.537 14.745 12.334 1.00 0.00 C ATOM 961 CD PRO A 62 4.689 13.977 11.747 1.00 0.00 C ATOM 0 HA PRO A 62 2.201 12.813 9.992 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.489 14.869 11.719 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.956 13.299 12.342 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.610 15.805 12.089 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.531 14.669 13.421 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.567 14.609 11.614 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.987 13.148 12.388 1.00 0.00 H new ATOM 969 N GLU A 63 3.352 15.599 8.960 1.00 0.00 N ATOM 970 CA GLU A 63 3.144 16.673 7.996 1.00 0.00 C ATOM 971 C GLU A 63 2.596 16.125 6.681 1.00 0.00 C ATOM 972 O GLU A 63 1.949 16.842 5.918 1.00 0.00 O ATOM 973 CB GLU A 63 4.455 17.421 7.742 1.00 0.00 C ATOM 974 CG GLU A 63 5.573 16.531 7.225 1.00 0.00 C ATOM 975 CD GLU A 63 6.922 17.224 7.236 1.00 0.00 C ATOM 976 OE1 GLU A 63 7.354 17.663 8.323 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.545 17.328 6.159 1.00 0.00 O ATOM 0 H GLU A 63 4.305 15.531 9.318 1.00 0.00 H new ATOM 0 HA GLU A 63 2.413 17.366 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.275 18.219 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.778 17.895 8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.627 15.630 7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.340 16.214 6.209 1.00 0.00 H new ATOM 984 N VAL A 64 2.862 14.848 6.422 1.00 0.00 N ATOM 985 CA VAL A 64 2.395 14.202 5.201 1.00 0.00 C ATOM 986 C VAL A 64 0.873 14.212 5.121 1.00 0.00 C ATOM 987 O VAL A 64 0.186 13.964 6.113 1.00 0.00 O ATOM 988 CB VAL A 64 2.894 12.748 5.109 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.270 11.899 6.206 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.592 12.167 3.736 1.00 0.00 C ATOM 0 H VAL A 64 3.398 14.241 7.042 1.00 0.00 H new ATOM 0 HA VAL A 64 2.803 14.772 4.366 1.00 0.00 H new ATOM 0 HB VAL A 64 3.975 12.743 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.634 10.875 6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.543 12.305 7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.185 11.908 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.952 11.139 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.516 12.183 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.092 12.762 2.971 1.00 0.00 H new ATOM 1000 N THR A 65 0.350 14.499 3.933 1.00 0.00 N ATOM 1001 CA THR A 65 -1.092 14.542 3.723 1.00 0.00 C ATOM 1002 C THR A 65 -1.542 13.435 2.776 1.00 0.00 C ATOM 1003 O THR A 65 -0.719 12.771 2.146 1.00 0.00 O ATOM 1004 CB THR A 65 -1.536 15.902 3.154 1.00 0.00 C ATOM 1005 OG1 THR A 65 -0.941 16.114 1.869 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.147 17.034 4.092 1.00 0.00 C ATOM 0 H THR A 65 0.904 14.705 3.101 1.00 0.00 H new ATOM 0 HA THR A 65 -1.559 14.395 4.697 1.00 0.00 H new ATOM 0 HB THR A 65 -2.621 15.892 3.053 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.230 16.981 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.471 17.985 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.626 16.885 5.060 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.065 17.044 4.221 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.853 13.243 2.679 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.413 12.216 1.808 1.00 0.00 C ATOM 1016 C ARG A 66 -2.791 12.286 0.416 1.00 0.00 C ATOM 1017 O ARG A 66 -2.223 11.308 -0.069 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.931 12.374 1.708 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.662 11.070 1.436 1.00 0.00 C ATOM 1020 CD ARG A 66 -5.909 10.290 2.718 1.00 0.00 C ATOM 1021 NE ARG A 66 -6.934 10.915 3.550 1.00 0.00 N ATOM 1022 CZ ARG A 66 -8.225 10.931 3.236 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -8.646 10.359 2.117 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -9.098 11.519 4.045 1.00 0.00 N ATOM 0 H ARG A 66 -3.548 13.785 3.193 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.184 11.243 2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.305 12.803 2.637 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.162 13.083 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.614 11.280 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.078 10.462 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.213 9.273 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.979 10.216 3.282 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.643 11.363 4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.978 9.905 1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.638 10.373 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.778 11.959 4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.089 11.531 3.804 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.904 13.448 -0.219 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.354 13.644 -1.555 1.00 0.00 C ATOM 1040 C GLN A 67 -0.972 13.010 -1.673 1.00 0.00 C ATOM 1041 O GLN A 67 -0.733 12.179 -2.549 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.273 15.136 -1.883 1.00 0.00 C ATOM 1043 CG GLN A 67 -2.204 15.429 -3.373 1.00 0.00 C ATOM 1044 CD GLN A 67 -1.616 16.793 -3.673 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -2.317 17.699 -4.125 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -0.321 16.948 -3.423 1.00 0.00 N ATOM 0 H GLN A 67 -3.371 14.267 0.170 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.019 13.158 -2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.143 15.640 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.394 15.559 -1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.603 14.663 -3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.206 15.368 -3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.223 16.171 -3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.130 17.845 -3.605 1.00 0.00 H new ATOM 1055 N GLN A 68 -0.066 13.408 -0.786 1.00 0.00 N ATOM 1056 CA GLN A 68 1.293 12.879 -0.793 1.00 0.00 C ATOM 1057 C GLN A 68 1.287 11.367 -0.994 1.00 0.00 C ATOM 1058 O GLN A 68 2.072 10.831 -1.777 1.00 0.00 O ATOM 1059 CB GLN A 68 2.005 13.229 0.515 1.00 0.00 C ATOM 1060 CG GLN A 68 2.669 14.597 0.499 1.00 0.00 C ATOM 1061 CD GLN A 68 1.763 15.679 -0.056 1.00 0.00 C ATOM 1062 OE1 GLN A 68 1.318 15.605 -1.202 1.00 0.00 O ATOM 1063 NE2 GLN A 68 1.485 16.692 0.756 1.00 0.00 N ATOM 0 H GLN A 68 -0.248 14.094 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 68 1.830 13.335 -1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.284 13.194 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.760 12.470 0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.968 14.863 1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.579 14.548 -0.099 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.876 16.713 1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.881 17.450 0.438 1.00 0.00 H new ATOM 1072 N THR A 69 0.397 10.684 -0.281 1.00 0.00 N ATOM 1073 CA THR A 69 0.291 9.233 -0.379 1.00 0.00 C ATOM 1074 C THR A 69 0.082 8.795 -1.824 1.00 0.00 C ATOM 1075 O THR A 69 0.929 8.114 -2.404 1.00 0.00 O ATOM 1076 CB THR A 69 -0.868 8.696 0.481 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.672 9.061 1.851 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.972 7.183 0.364 1.00 0.00 C ATOM 0 H THR A 69 -0.261 11.112 0.371 1.00 0.00 H new ATOM 0 HA THR A 69 1.230 8.821 -0.009 1.00 0.00 H new ATOM 0 HB THR A 69 -1.796 9.138 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.530 9.321 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.797 6.826 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.151 6.910 -0.676 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.042 6.727 0.704 1.00 0.00 H new ATOM 1086 N ILE A 70 -1.048 9.189 -2.400 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.366 8.836 -3.778 1.00 0.00 C ATOM 1088 C ILE A 70 -0.134 8.943 -4.671 1.00 0.00 C ATOM 1089 O ILE A 70 0.122 8.069 -5.498 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.478 9.738 -4.348 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.739 9.633 -3.488 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.780 9.359 -5.790 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -3.772 10.619 -2.341 1.00 0.00 C ATOM 0 H ILE A 70 -1.759 9.753 -1.934 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.716 7.804 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.133 10.772 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.614 9.792 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.814 8.621 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.567 10.005 -6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.881 9.480 -6.394 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.109 8.321 -5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.694 10.487 -1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.917 10.446 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.729 11.635 -2.733 1.00 0.00 H new ATOM 1105 N GLN A 71 0.626 10.019 -4.495 1.00 0.00 N ATOM 1106 CA GLN A 71 1.833 10.238 -5.284 1.00 0.00 C ATOM 1107 C GLN A 71 2.802 9.071 -5.133 1.00 0.00 C ATOM 1108 O GLN A 71 3.187 8.438 -6.117 1.00 0.00 O ATOM 1109 CB GLN A 71 2.514 11.540 -4.860 1.00 0.00 C ATOM 1110 CG GLN A 71 2.034 12.758 -5.633 1.00 0.00 C ATOM 1111 CD GLN A 71 3.106 13.820 -5.776 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.644 14.032 -6.863 1.00 0.00 O ATOM 1113 NE2 GLN A 71 3.423 14.493 -4.677 1.00 0.00 N ATOM 0 H GLN A 71 0.428 10.752 -3.814 1.00 0.00 H new ATOM 0 HA GLN A 71 1.543 10.312 -6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.338 11.703 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.591 11.437 -4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.702 12.447 -6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.169 13.187 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.951 14.284 -3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.138 15.219 -4.712 1.00 0.00 H new ATOM 1122 N LEU A 72 3.193 8.789 -3.895 1.00 0.00 N ATOM 1123 CA LEU A 72 4.119 7.697 -3.614 1.00 0.00 C ATOM 1124 C LEU A 72 3.558 6.368 -4.108 1.00 0.00 C ATOM 1125 O LEU A 72 4.264 5.580 -4.740 1.00 0.00 O ATOM 1126 CB LEU A 72 4.404 7.617 -2.113 1.00 0.00 C ATOM 1127 CG LEU A 72 4.953 6.283 -1.605 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.307 5.990 -2.231 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.057 6.293 -0.087 1.00 0.00 C ATOM 0 H LEU A 72 2.883 9.302 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 72 5.050 7.897 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.116 8.402 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.481 7.836 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 72 4.262 5.493 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.682 5.037 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.204 5.940 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.008 6.783 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.449 5.336 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.727 7.094 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.069 6.456 0.344 1.00 0.00 H new ATOM 1141 N LEU A 73 2.284 6.125 -3.819 1.00 0.00 N ATOM 1142 CA LEU A 73 1.627 4.891 -4.236 1.00 0.00 C ATOM 1143 C LEU A 73 1.968 4.555 -5.685 1.00 0.00 C ATOM 1144 O LEU A 73 2.199 3.395 -6.025 1.00 0.00 O ATOM 1145 CB LEU A 73 0.111 5.018 -4.074 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.689 3.721 -4.208 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.699 2.961 -2.891 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.110 4.017 -4.667 1.00 0.00 C ATOM 0 H LEU A 73 1.686 6.766 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 73 1.989 4.083 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.095 5.449 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.256 5.726 -4.817 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.208 3.095 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.273 2.041 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.324 2.717 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.155 3.579 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.665 3.083 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.601 4.662 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.083 4.518 -5.635 1.00 0.00 H new ATOM 1160 N ARG A 74 1.999 5.578 -6.532 1.00 0.00 N ATOM 1161 CA ARG A 74 2.314 5.391 -7.944 1.00 0.00 C ATOM 1162 C ARG A 74 3.607 4.599 -8.113 1.00 0.00 C ATOM 1163 O ARG A 74 3.639 3.582 -8.806 1.00 0.00 O ATOM 1164 CB ARG A 74 2.437 6.746 -8.644 1.00 0.00 C ATOM 1165 CG ARG A 74 1.152 7.556 -8.635 1.00 0.00 C ATOM 1166 CD ARG A 74 1.399 8.999 -9.046 1.00 0.00 C ATOM 1167 NE ARG A 74 0.168 9.673 -9.448 1.00 0.00 N ATOM 1168 CZ ARG A 74 0.103 10.963 -9.758 1.00 0.00 C ATOM 1169 NH1 ARG A 74 1.195 11.714 -9.712 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.055 11.504 -10.114 1.00 0.00 N ATOM 0 H ARG A 74 1.810 6.544 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 74 1.501 4.826 -8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.224 7.325 -8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.748 6.585 -9.676 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.430 7.102 -9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.712 7.531 -7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.853 9.539 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.112 9.024 -9.870 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.690 9.123 -9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.087 11.301 -9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.143 12.704 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.897 10.929 -10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.103 12.495 -10.352 1.00 0.00 H new ATOM 1184 N LYS A 75 4.672 5.072 -7.475 1.00 0.00 N ATOM 1185 CA LYS A 75 5.968 4.409 -7.553 1.00 0.00 C ATOM 1186 C LYS A 75 5.815 2.897 -7.421 1.00 0.00 C ATOM 1187 O LYS A 75 6.239 2.142 -8.296 1.00 0.00 O ATOM 1188 CB LYS A 75 6.900 4.935 -6.458 1.00 0.00 C ATOM 1189 CG LYS A 75 7.730 6.132 -6.890 1.00 0.00 C ATOM 1190 CD LYS A 75 8.581 6.661 -5.747 1.00 0.00 C ATOM 1191 CE LYS A 75 9.703 7.553 -6.255 1.00 0.00 C ATOM 1192 NZ LYS A 75 10.733 6.778 -7.001 1.00 0.00 N ATOM 0 H LYS A 75 4.663 5.913 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 75 6.402 4.629 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.305 5.211 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.569 4.133 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.373 5.849 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.071 6.922 -7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.954 7.222 -5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.003 5.825 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.288 8.324 -6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.171 8.063 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.614 7.329 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.914 5.879 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.391 6.584 -7.964 1.00 0.00 H new ATOM 1206 N PHE A 76 5.205 2.462 -6.324 1.00 0.00 N ATOM 1207 CA PHE A 76 4.995 1.040 -6.078 1.00 0.00 C ATOM 1208 C PHE A 76 4.618 0.316 -7.367 1.00 0.00 C ATOM 1209 O PHE A 76 5.365 -0.530 -7.859 1.00 0.00 O ATOM 1210 CB PHE A 76 3.901 0.838 -5.028 1.00 0.00 C ATOM 1211 CG PHE A 76 4.297 1.300 -3.654 1.00 0.00 C ATOM 1212 CD1 PHE A 76 5.567 1.047 -3.163 1.00 0.00 C ATOM 1213 CD2 PHE A 76 3.399 1.989 -2.855 1.00 0.00 C ATOM 1214 CE1 PHE A 76 5.933 1.470 -1.899 1.00 0.00 C ATOM 1215 CE2 PHE A 76 3.759 2.415 -1.591 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.029 2.156 -1.113 1.00 0.00 C ATOM 0 H PHE A 76 4.847 3.074 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 76 5.929 0.619 -5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.006 1.376 -5.340 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.639 -0.219 -4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.279 0.513 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.406 2.196 -3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.926 1.264 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.049 2.950 -0.978 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.314 2.490 -0.126 1.00 0.00 H new ATOM 1226 N LEU A 77 3.452 0.653 -7.909 1.00 0.00 N ATOM 1227 CA LEU A 77 2.974 0.035 -9.141 1.00 0.00 C ATOM 1228 C LEU A 77 3.996 0.194 -10.262 1.00 0.00 C ATOM 1229 O LEU A 77 4.218 -0.726 -11.049 1.00 0.00 O ATOM 1230 CB LEU A 77 1.640 0.655 -9.560 1.00 0.00 C ATOM 1231 CG LEU A 77 1.071 0.182 -10.899 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.716 -1.295 -10.836 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.146 1.010 -11.283 1.00 0.00 C ATOM 0 H LEU A 77 2.821 1.350 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 77 2.831 -1.029 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.905 0.447 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.762 1.737 -9.602 1.00 0.00 H new ATOM 0 HG LEU A 77 1.834 0.318 -11.665 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.313 -1.614 -11.797 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.610 -1.875 -10.607 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.030 -1.457 -10.058 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.538 0.660 -12.238 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.913 0.906 -10.516 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.140 2.058 -11.371 1.00 0.00 H new ATOM 1245 N LYS A 78 4.617 1.366 -10.328 1.00 0.00 N ATOM 1246 CA LYS A 78 5.619 1.646 -11.350 1.00 0.00 C ATOM 1247 C LYS A 78 6.799 0.687 -11.232 1.00 0.00 C ATOM 1248 O LYS A 78 7.398 0.299 -12.233 1.00 0.00 O ATOM 1249 CB LYS A 78 6.108 3.091 -11.232 1.00 0.00 C ATOM 1250 CG LYS A 78 7.477 3.322 -11.848 1.00 0.00 C ATOM 1251 CD LYS A 78 8.588 3.100 -10.836 1.00 0.00 C ATOM 1252 CE LYS A 78 9.794 3.979 -11.130 1.00 0.00 C ATOM 1253 NZ LYS A 78 10.637 3.418 -12.221 1.00 0.00 N ATOM 0 H LYS A 78 4.444 2.139 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 78 5.155 1.505 -12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.386 3.750 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.141 3.370 -10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.615 2.649 -12.694 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.535 4.339 -12.237 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.217 3.314 -9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.889 2.052 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.456 4.977 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.394 4.086 -10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.448 4.046 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.980 2.476 -11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.072 3.339 -13.091 1.00 0.00 H new ATOM 1267 N ASN A 79 7.127 0.309 -10.001 1.00 0.00 N ATOM 1268 CA ASN A 79 8.235 -0.606 -9.752 1.00 0.00 C ATOM 1269 C ASN A 79 7.747 -2.050 -9.697 1.00 0.00 C ATOM 1270 O ASN A 79 8.440 -2.933 -9.189 1.00 0.00 O ATOM 1271 CB ASN A 79 8.938 -0.244 -8.442 1.00 0.00 C ATOM 1272 CG ASN A 79 9.875 0.939 -8.596 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.717 0.965 -9.493 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.730 1.926 -7.719 1.00 0.00 N ATOM 0 H ASN A 79 6.641 0.622 -9.160 1.00 0.00 H new ATOM 0 HA ASN A 79 8.943 -0.512 -10.575 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.190 -0.015 -7.683 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.501 -1.106 -8.085 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.331 2.749 -7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.018 1.861 -6.992 1.00 0.00 H new ATOM 1281 N HIS A 80 6.550 -2.285 -10.225 1.00 0.00 N ATOM 1282 CA HIS A 80 5.969 -3.623 -10.237 1.00 0.00 C ATOM 1283 C HIS A 80 5.864 -4.183 -8.822 1.00 0.00 C ATOM 1284 O HIS A 80 5.990 -5.389 -8.610 1.00 0.00 O ATOM 1285 CB HIS A 80 6.808 -4.558 -11.108 1.00 0.00 C ATOM 1286 CG HIS A 80 6.290 -5.962 -11.152 1.00 0.00 C ATOM 1287 ND1 HIS A 80 7.070 -7.042 -11.508 1.00 0.00 N ATOM 1288 CD2 HIS A 80 5.061 -6.461 -10.879 1.00 0.00 C ATOM 1289 CE1 HIS A 80 6.343 -8.144 -11.455 1.00 0.00 C ATOM 1290 NE2 HIS A 80 5.121 -7.819 -11.075 1.00 0.00 N ATOM 0 H HIS A 80 5.964 -1.567 -10.650 1.00 0.00 H new ATOM 0 HA HIS A 80 4.965 -3.553 -10.655 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.844 -4.161 -12.122 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.832 -4.569 -10.733 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.195 -5.896 -10.566 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.689 -9.141 -11.684 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.347 -8.471 -10.948 1.00 0.00 H new ATOM 1298 N VAL A 81 5.634 -3.299 -7.856 1.00 0.00 N ATOM 1299 CA VAL A 81 5.512 -3.706 -6.461 1.00 0.00 C ATOM 1300 C VAL A 81 4.122 -4.260 -6.170 1.00 0.00 C ATOM 1301 O VAL A 81 3.966 -5.182 -5.368 1.00 0.00 O ATOM 1302 CB VAL A 81 5.795 -2.530 -5.508 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.603 -2.958 -4.061 1.00 0.00 C ATOM 1304 CG2 VAL A 81 7.199 -1.989 -5.731 1.00 0.00 C ATOM 0 H VAL A 81 5.528 -2.297 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 81 6.253 -4.487 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 81 5.085 -1.732 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.807 -2.114 -3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.576 -3.293 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.288 -3.774 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.381 -1.159 -5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.927 -2.778 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.296 -1.642 -6.760 1.00 0.00 H new ATOM 1314 N ILE A 82 3.116 -3.693 -6.826 1.00 0.00 N ATOM 1315 CA ILE A 82 1.739 -4.131 -6.638 1.00 0.00 C ATOM 1316 C ILE A 82 0.999 -4.205 -7.969 1.00 0.00 C ATOM 1317 O ILE A 82 0.979 -3.241 -8.733 1.00 0.00 O ATOM 1318 CB ILE A 82 0.972 -3.191 -5.689 1.00 0.00 C ATOM 1319 CG1 ILE A 82 1.154 -1.735 -6.123 1.00 0.00 C ATOM 1320 CG2 ILE A 82 1.444 -3.385 -4.256 1.00 0.00 C ATOM 1321 CD1 ILE A 82 0.166 -0.786 -5.482 1.00 0.00 C ATOM 0 H ILE A 82 3.229 -2.929 -7.493 1.00 0.00 H new ATOM 0 HA ILE A 82 1.783 -5.125 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.089 -3.436 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.166 -1.414 -5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.055 -1.672 -7.207 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.893 -2.714 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.269 -4.417 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.509 -3.163 -4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.354 0.228 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.848 -1.081 -5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.280 -0.820 -4.398 1.00 0.00 H new ATOM 1333 N GLU A 83 0.389 -5.356 -8.239 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.353 -5.554 -9.478 1.00 0.00 C ATOM 1335 C GLU A 83 -1.857 -5.480 -9.229 1.00 0.00 C ATOM 1336 O GLU A 83 -2.324 -5.713 -8.114 1.00 0.00 O ATOM 1337 CB GLU A 83 0.006 -6.904 -10.103 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.620 -8.090 -9.389 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.094 -9.420 -9.895 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.944 -9.420 -10.591 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -0.718 -10.459 -9.595 1.00 0.00 O ATOM 0 H GLU A 83 0.395 -6.164 -7.617 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.077 -4.757 -10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.312 -6.909 -11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.090 -7.020 -10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.425 -8.010 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.702 -8.058 -9.519 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.608 -5.154 -10.275 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.059 -5.049 -10.171 1.00 0.00 C ATOM 1350 C ASP A 84 -4.697 -6.430 -10.055 1.00 0.00 C ATOM 1351 O ASP A 84 -4.031 -7.449 -10.242 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.627 -4.312 -11.385 1.00 0.00 C ATOM 1353 CG ASP A 84 -5.010 -5.255 -12.508 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -4.107 -5.919 -13.058 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -6.212 -5.328 -12.838 1.00 0.00 O ATOM 0 H ASP A 84 -2.236 -4.958 -11.204 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.294 -4.483 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.503 -3.739 -11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.889 -3.597 -11.750 1.00 0.00 H new ATOM 1360 N ILE A 85 -5.988 -6.456 -9.746 1.00 0.00 N ATOM 1361 CA ILE A 85 -6.715 -7.711 -9.605 1.00 0.00 C ATOM 1362 C ILE A 85 -6.349 -8.686 -10.720 1.00 0.00 C ATOM 1363 O ILE A 85 -6.252 -9.893 -10.497 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.238 -7.485 -9.617 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -8.971 -8.779 -9.256 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -8.688 -6.976 -10.978 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -10.268 -8.551 -8.510 1.00 0.00 C ATOM 0 H ILE A 85 -6.553 -5.622 -9.588 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.427 -8.136 -8.643 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.484 -6.730 -8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.180 -9.336 -10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.315 -9.401 -8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.767 -6.821 -10.970 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.188 -6.033 -11.197 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.432 -7.709 -11.743 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.733 -9.511 -8.287 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.064 -8.022 -7.579 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.942 -7.956 -9.126 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.146 -8.154 -11.920 1.00 0.00 N ATOM 1380 CA LYS A 86 -5.787 -8.975 -13.070 1.00 0.00 C ATOM 1381 C LYS A 86 -4.366 -9.512 -12.934 1.00 0.00 C ATOM 1382 O LYS A 86 -4.126 -10.707 -13.098 1.00 0.00 O ATOM 1383 CB LYS A 86 -5.914 -8.163 -14.362 1.00 0.00 C ATOM 1384 CG LYS A 86 -7.272 -8.293 -15.030 1.00 0.00 C ATOM 1385 CD LYS A 86 -8.237 -7.223 -14.547 1.00 0.00 C ATOM 1386 CE LYS A 86 -9.236 -6.844 -15.629 1.00 0.00 C ATOM 1387 NZ LYS A 86 -10.428 -7.736 -15.621 1.00 0.00 N ATOM 0 H LYS A 86 -6.224 -7.157 -12.122 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.474 -9.820 -13.109 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.726 -7.112 -14.141 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.142 -8.485 -15.061 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.155 -8.217 -16.111 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.687 -9.279 -14.822 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.771 -7.583 -13.668 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.678 -6.339 -14.241 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.554 -5.812 -15.484 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.752 -6.894 -16.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.085 -7.445 -16.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.128 -8.718 -15.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.905 -7.669 -14.699 1.00 0.00 H new ATOM 1401 N GLY A 87 -3.428 -8.621 -12.629 1.00 0.00 N ATOM 1402 CA GLY A 87 -2.043 -9.025 -12.474 1.00 0.00 C ATOM 1403 C GLY A 87 -1.118 -8.309 -13.438 1.00 0.00 C ATOM 1404 O GLY A 87 -0.116 -8.871 -13.881 1.00 0.00 O ATOM 0 H GLY A 87 -3.603 -7.626 -12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.722 -8.826 -11.452 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.962 -10.101 -12.629 1.00 0.00 H new ATOM 1408 N ARG A 88 -1.454 -7.066 -13.766 1.00 0.00 N ATOM 1409 CA ARG A 88 -0.648 -6.274 -14.686 1.00 0.00 C ATOM 1410 C ARG A 88 0.117 -5.185 -13.939 1.00 0.00 C ATOM 1411 O ARG A 88 -0.383 -4.614 -12.971 1.00 0.00 O ATOM 1412 CB ARG A 88 -1.535 -5.642 -15.761 1.00 0.00 C ATOM 1413 CG ARG A 88 -2.317 -4.434 -15.273 1.00 0.00 C ATOM 1414 CD ARG A 88 -2.787 -3.569 -16.433 1.00 0.00 C ATOM 1415 NE ARG A 88 -3.662 -4.303 -17.343 1.00 0.00 N ATOM 1416 CZ ARG A 88 -3.826 -3.983 -18.622 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -3.177 -2.949 -19.138 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -4.640 -4.699 -19.387 1.00 0.00 N ATOM 0 H ARG A 88 -2.279 -6.586 -13.408 1.00 0.00 H new ATOM 0 HA ARG A 88 0.072 -6.939 -15.163 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.912 -5.344 -16.605 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.235 -6.392 -16.130 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.178 -4.767 -14.693 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.693 -3.841 -14.605 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.316 -2.698 -16.045 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.922 -3.198 -16.982 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.175 -5.105 -16.977 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.550 -2.397 -18.553 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.305 -2.705 -20.120 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.140 -5.496 -18.993 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.765 -4.453 -20.369 1.00 0.00 H new ATOM 1432 N TRP A 89 1.332 -4.904 -14.397 1.00 0.00 N ATOM 1433 CA TRP A 89 2.166 -3.884 -13.771 1.00 0.00 C ATOM 1434 C TRP A 89 2.820 -2.995 -14.824 1.00 0.00 C ATOM 1435 O TRP A 89 2.863 -3.342 -16.003 1.00 0.00 O ATOM 1436 CB TRP A 89 3.240 -4.538 -12.900 1.00 0.00 C ATOM 1437 CG TRP A 89 4.116 -5.492 -13.654 1.00 0.00 C ATOM 1438 CD1 TRP A 89 3.878 -6.817 -13.883 1.00 0.00 C ATOM 1439 CD2 TRP A 89 5.372 -5.195 -14.275 1.00 0.00 C ATOM 1440 NE1 TRP A 89 4.910 -7.362 -14.609 1.00 0.00 N ATOM 1441 CE2 TRP A 89 5.838 -6.387 -14.863 1.00 0.00 C ATOM 1442 CE3 TRP A 89 6.146 -4.038 -14.393 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 7.044 -6.452 -15.556 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 7.343 -4.105 -15.081 1.00 0.00 C ATOM 1445 CH2 TRP A 89 7.782 -5.304 -15.657 1.00 0.00 C ATOM 0 H TRP A 89 1.761 -5.367 -15.198 1.00 0.00 H new ATOM 0 HA TRP A 89 1.528 -3.263 -13.143 1.00 0.00 H new ATOM 0 HB2 TRP A 89 3.861 -3.760 -12.455 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.758 -5.069 -12.079 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.007 -7.357 -13.543 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.974 -8.335 -14.910 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.815 -3.108 -13.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.385 -7.376 -15.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.951 -3.217 -15.176 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.721 -5.323 -16.191 1.00 0.00 H new ATOM 1456 N GLY A 90 3.328 -1.846 -14.389 1.00 0.00 N ATOM 1457 CA GLY A 90 3.973 -0.925 -15.307 1.00 0.00 C ATOM 1458 C GLY A 90 3.142 0.316 -15.562 1.00 0.00 C ATOM 1459 O GLY A 90 2.918 0.696 -16.712 1.00 0.00 O ATOM 0 H GLY A 90 3.304 -1.536 -13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.942 -0.633 -14.903 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.162 -1.433 -16.253 1.00 0.00 H new ATOM 1463 N SER A 91 2.682 0.950 -14.488 1.00 0.00 N ATOM 1464 CA SER A 91 1.866 2.153 -14.602 1.00 0.00 C ATOM 1465 C SER A 91 2.033 3.040 -13.372 1.00 0.00 C ATOM 1466 O SER A 91 2.254 2.550 -12.265 1.00 0.00 O ATOM 1467 CB SER A 91 0.392 1.780 -14.779 1.00 0.00 C ATOM 1468 OG SER A 91 0.210 0.944 -15.908 1.00 0.00 O ATOM 0 H SER A 91 2.861 0.651 -13.529 1.00 0.00 H new ATOM 0 HA SER A 91 2.201 2.708 -15.478 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.032 1.272 -13.884 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.204 2.685 -14.893 1.00 0.00 H new ATOM 0 HG SER A 91 -0.739 0.719 -15.998 1.00 0.00 H new ATOM 1474 N GLU A 92 1.927 4.350 -13.577 1.00 0.00 N ATOM 1475 CA GLU A 92 2.068 5.307 -12.485 1.00 0.00 C ATOM 1476 C GLU A 92 0.748 6.025 -12.218 1.00 0.00 C ATOM 1477 O GLU A 92 0.718 7.067 -11.565 1.00 0.00 O ATOM 1478 CB GLU A 92 3.160 6.327 -12.810 1.00 0.00 C ATOM 1479 CG GLU A 92 2.904 7.108 -14.088 1.00 0.00 C ATOM 1480 CD GLU A 92 4.104 7.927 -14.522 1.00 0.00 C ATOM 1481 OE1 GLU A 92 5.077 7.332 -15.030 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.069 9.164 -14.355 1.00 0.00 O ATOM 0 H GLU A 92 1.744 4.772 -14.487 1.00 0.00 H new ATOM 0 HA GLU A 92 2.351 4.757 -11.587 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.251 7.026 -11.979 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.115 5.809 -12.896 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.635 6.415 -14.885 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.051 7.770 -13.940 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.341 5.460 -12.730 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.663 6.047 -12.548 1.00 0.00 C ATOM 1491 C ASN A 93 -2.457 5.282 -11.493 1.00 0.00 C ATOM 1492 O ASN A 93 -2.985 4.202 -11.760 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.428 6.053 -13.874 1.00 0.00 C ATOM 1494 CG ASN A 93 -3.823 6.631 -13.734 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -4.075 7.470 -12.869 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -4.737 6.184 -14.587 1.00 0.00 N ATOM 0 H ASN A 93 -0.334 4.597 -13.274 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.534 7.074 -12.206 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.870 6.632 -14.610 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.496 5.034 -14.256 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.693 6.537 -14.541 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.483 5.488 -15.288 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.539 5.851 -10.295 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.270 5.224 -9.200 1.00 0.00 C ATOM 1505 C VAL A 94 -3.764 6.266 -8.202 1.00 0.00 C ATOM 1506 O VAL A 94 -2.969 6.956 -7.564 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.397 4.194 -8.459 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -1.976 3.075 -9.400 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.180 4.870 -7.845 1.00 0.00 C ATOM 0 H VAL A 94 -2.109 6.745 -10.058 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.125 4.713 -9.642 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.987 3.757 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.360 2.357 -8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.862 2.573 -9.788 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.404 3.492 -10.228 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.575 4.127 -7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.587 5.336 -8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.506 5.632 -7.137 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.082 6.373 -8.072 1.00 0.00 N ATOM 1520 CA ASP A 95 -5.684 7.330 -7.150 1.00 0.00 C ATOM 1521 C ASP A 95 -6.330 6.613 -5.969 1.00 0.00 C ATOM 1522 O ASP A 95 -6.337 5.384 -5.904 1.00 0.00 O ATOM 1523 CB ASP A 95 -6.724 8.184 -7.876 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.690 7.349 -8.694 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -7.750 6.122 -8.471 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -8.386 7.924 -9.556 1.00 0.00 O ATOM 0 H ASP A 95 -5.754 5.809 -8.593 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.894 7.978 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.283 8.770 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.216 8.892 -8.531 1.00 0.00 H new ATOM 1531 N ASP A 96 -6.870 7.390 -5.036 1.00 0.00 N ATOM 1532 CA ASP A 96 -7.519 6.830 -3.856 1.00 0.00 C ATOM 1533 C ASP A 96 -8.956 6.424 -4.168 1.00 0.00 C ATOM 1534 O ASP A 96 -9.755 6.188 -3.262 1.00 0.00 O ATOM 1535 CB ASP A 96 -7.499 7.841 -2.709 1.00 0.00 C ATOM 1536 CG ASP A 96 -8.534 8.934 -2.882 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -9.706 8.705 -2.514 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -8.174 10.018 -3.386 1.00 0.00 O ATOM 0 H ASP A 96 -6.871 8.409 -5.074 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.966 5.940 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.678 7.321 -1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.508 8.290 -2.642 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.277 6.345 -5.455 1.00 0.00 N ATOM 1544 CA ASN A 97 -10.619 5.969 -5.886 1.00 0.00 C ATOM 1545 C ASN A 97 -10.829 4.463 -5.760 1.00 0.00 C ATOM 1546 O ASN A 97 -9.919 3.730 -5.375 1.00 0.00 O ATOM 1547 CB ASN A 97 -10.854 6.408 -7.332 1.00 0.00 C ATOM 1548 CG ASN A 97 -11.064 7.905 -7.455 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -12.137 8.363 -7.850 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -10.038 8.676 -7.116 1.00 0.00 N ATOM 0 H ASN A 97 -8.627 6.536 -6.217 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.336 6.474 -5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.000 6.112 -7.942 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.725 5.888 -7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.120 9.691 -7.178 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.167 8.254 -6.794 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.034 4.010 -6.088 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.364 2.591 -6.011 1.00 0.00 C ATOM 1559 C ASN A 98 -11.657 1.808 -7.113 1.00 0.00 C ATOM 1560 O ASN A 98 -12.030 1.889 -8.283 1.00 0.00 O ATOM 1561 CB ASN A 98 -13.877 2.391 -6.119 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.522 3.369 -7.082 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -14.970 4.445 -6.685 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.572 2.998 -8.357 1.00 0.00 N ATOM 0 H ASN A 98 -12.798 4.604 -6.410 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.023 2.216 -5.046 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.084 1.372 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.327 2.506 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.994 3.614 -9.051 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -14.188 2.097 -8.641 1.00 0.00 H new ATOM 1571 N GLN A 99 -10.635 1.050 -6.729 1.00 0.00 N ATOM 1572 CA GLN A 99 -9.875 0.252 -7.685 1.00 0.00 C ATOM 1573 C GLN A 99 -9.256 -0.966 -7.007 1.00 0.00 C ATOM 1574 O GLN A 99 -8.365 -0.836 -6.167 1.00 0.00 O ATOM 1575 CB GLN A 99 -8.780 1.101 -8.333 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.316 2.206 -9.228 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.312 2.650 -10.273 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -7.519 3.563 -10.040 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -8.339 2.005 -11.433 1.00 0.00 N ATOM 0 H GLN A 99 -10.314 0.971 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.561 -0.095 -8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.165 1.545 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.129 0.453 -8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.222 1.858 -9.725 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.597 3.061 -8.614 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.013 1.254 -11.584 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.686 2.260 -12.174 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.735 -2.149 -7.376 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.230 -3.392 -6.803 1.00 0.00 C ATOM 1590 C LEU A 100 -7.753 -3.583 -7.135 1.00 0.00 C ATOM 1591 O LEU A 100 -7.287 -3.174 -8.198 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.039 -4.582 -7.322 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.498 -4.649 -6.870 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.231 -5.765 -7.598 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.581 -4.849 -5.363 1.00 0.00 C ATOM 0 H LEU A 100 -10.473 -2.274 -8.069 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.336 -3.334 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.017 -4.563 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.540 -5.499 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.979 -3.703 -7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.268 -5.798 -7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.202 -5.580 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.750 -6.719 -7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.627 -4.894 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.084 -5.780 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.092 -4.016 -4.858 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.022 -4.208 -6.218 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.599 -4.455 -6.413 1.00 0.00 C ATOM 1609 C PHE A 101 -5.175 -5.758 -5.741 1.00 0.00 C ATOM 1610 O PHE A 101 -5.950 -6.370 -5.006 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.777 -3.291 -5.857 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.683 -2.122 -6.795 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.796 -2.140 -7.860 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.481 -1.004 -6.612 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.707 -1.065 -8.724 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.397 0.074 -7.473 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.509 0.043 -8.531 1.00 0.00 C ATOM 0 H PHE A 101 -7.392 -4.553 -5.332 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.415 -4.543 -7.484 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.221 -2.959 -4.919 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.772 -3.644 -5.627 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.167 -3.004 -8.016 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.177 -0.975 -5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.011 -1.091 -9.549 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.025 0.939 -7.319 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.442 0.884 -9.206 1.00 0.00 H new ATOM 1627 N ARG A 102 -3.941 -6.177 -6.000 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.414 -7.407 -5.422 1.00 0.00 C ATOM 1629 C ARG A 102 -1.890 -7.429 -5.485 1.00 0.00 C ATOM 1630 O ARG A 102 -1.275 -6.611 -6.169 1.00 0.00 O ATOM 1631 CB ARG A 102 -3.983 -8.624 -6.155 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.324 -8.889 -7.498 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.155 -9.836 -8.349 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.324 -10.647 -9.236 1.00 0.00 N ATOM 1635 CZ ARG A 102 -3.648 -11.873 -9.630 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -4.780 -12.427 -9.219 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -2.840 -12.547 -10.438 1.00 0.00 N ATOM 0 H ARG A 102 -3.287 -5.682 -6.607 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.717 -7.446 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.868 -9.505 -5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.053 -8.479 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.186 -7.947 -8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.333 -9.314 -7.341 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.738 -10.490 -7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.865 -9.261 -8.943 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.446 -10.249 -9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.404 -11.911 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.027 -13.369 -9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.969 -12.124 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.090 -13.489 -10.740 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.286 -8.370 -4.766 1.00 0.00 N ATOM 1652 CA PHE A 103 0.166 -8.497 -4.739 1.00 0.00 C ATOM 1653 C PHE A 103 0.629 -9.634 -5.645 1.00 0.00 C ATOM 1654 O PHE A 103 0.019 -10.701 -5.706 1.00 0.00 O ATOM 1655 CB PHE A 103 0.651 -8.740 -3.308 1.00 0.00 C ATOM 1656 CG PHE A 103 2.064 -8.288 -3.070 1.00 0.00 C ATOM 1657 CD1 PHE A 103 3.131 -9.118 -3.373 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.324 -7.034 -2.543 1.00 0.00 C ATOM 1659 CE1 PHE A 103 4.432 -8.705 -3.154 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.623 -6.615 -2.321 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.678 -7.452 -2.628 1.00 0.00 C ATOM 0 H PHE A 103 -1.780 -9.055 -4.195 1.00 0.00 H new ATOM 0 HA PHE A 103 0.595 -7.565 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.010 -8.220 -2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.575 -9.804 -3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.944 -10.099 -3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.502 -6.375 -2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 103 5.255 -9.362 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.812 -5.635 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.694 -7.127 -2.457 1.00 0.00 H new ATOM 1671 N PRO A 104 1.735 -9.401 -6.367 1.00 0.00 N ATOM 1672 CA PRO A 104 2.306 -10.393 -7.284 1.00 0.00 C ATOM 1673 C PRO A 104 2.919 -11.579 -6.546 1.00 0.00 C ATOM 1674 O PRO A 104 2.781 -11.704 -5.330 1.00 0.00 O ATOM 1675 CB PRO A 104 3.389 -9.608 -8.027 1.00 0.00 C ATOM 1676 CG PRO A 104 3.768 -8.510 -7.094 1.00 0.00 C ATOM 1677 CD PRO A 104 2.514 -8.152 -6.345 1.00 0.00 C ATOM 0 HA PRO A 104 1.550 -10.826 -7.939 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.245 -10.240 -8.263 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.014 -9.213 -8.972 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.553 -8.833 -6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.155 -7.650 -7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.732 -7.832 -5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.977 -7.335 -6.827 1.00 0.00 H new ATOM 1685 N ALA A 105 3.596 -12.447 -7.290 1.00 0.00 N ATOM 1686 CA ALA A 105 4.232 -13.621 -6.706 1.00 0.00 C ATOM 1687 C ALA A 105 5.732 -13.405 -6.535 1.00 0.00 C ATOM 1688 O ALA A 105 6.488 -14.358 -6.342 1.00 0.00 O ATOM 1689 CB ALA A 105 3.969 -14.847 -7.567 1.00 0.00 C ATOM 0 H ALA A 105 3.718 -12.359 -8.299 1.00 0.00 H new ATOM 0 HA ALA A 105 3.800 -13.784 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.450 -15.716 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.895 -15.021 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.373 -14.684 -8.566 1.00 0.00 H new