USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc=-0.000887 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0317 X(o=-0.032,f=-0.07) USER MOD Single : A 20 THR OG1 : rot -44:sc= 1.57 USER MOD Single : A 30 SER OG : rot 66:sc= 1.22 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -32:sc= 0.215 USER MOD Single : A 56 SER OG : rot 30:sc= 0.0287 USER MOD Single : A 58 SER OG : rot -172:sc= 1.28 USER MOD Single : A 59 ASN : amide:sc= -0.0243 X(o=-0.024,f=-0.024) USER MOD Single : A 61 GLN : amide:sc= 0.34 X(o=0.34,f=-0.12) USER MOD Single : A 63 MET CE :methyl 169:sc= 0 (180deg=-0.0887) USER MOD Single : A 64 GLN : amide:sc= -0.0295 K(o=-0.03,f=-1) USER MOD Single : A 70 MET CE :methyl 152:sc= -0.0555 (180deg=-0.793) USER MOD Single : A 71 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N TYR A 9 8.050 -0.484 -10.519 1.00 0.00 N ATOM 101 CA TYR A 9 8.174 -0.780 -9.083 1.00 0.00 C ATOM 102 C TYR A 9 6.937 -0.257 -8.333 1.00 0.00 C ATOM 103 O TYR A 9 6.982 0.760 -7.639 1.00 0.00 O ATOM 104 CB TYR A 9 9.525 -0.238 -8.554 1.00 0.00 C ATOM 105 CG TYR A 9 10.685 -0.312 -9.540 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.936 -1.490 -10.275 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.451 0.842 -9.797 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.880 -1.488 -11.319 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.429 0.833 -10.808 1.00 0.00 C ATOM 110 CZ TYR A 9 12.623 -0.320 -11.596 1.00 0.00 C ATOM 111 OH TYR A 9 13.504 -0.305 -12.634 1.00 0.00 O ATOM 0 HA TYR A 9 8.193 -1.855 -8.906 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.389 0.801 -8.255 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.795 -0.795 -7.657 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.401 -2.397 -10.035 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.287 1.737 -9.216 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.036 -2.380 -11.908 1.00 0.00 H new ATOM 0 HE2 TYR A 9 13.033 1.712 -10.981 1.00 0.00 H new ATOM 0 HH TYR A 9 13.932 0.575 -12.688 1.00 0.00 H new ATOM 121 N ARG A 10 5.825 -0.993 -8.476 1.00 0.00 N ATOM 122 CA ARG A 10 4.484 -0.662 -7.964 1.00 0.00 C ATOM 123 C ARG A 10 3.761 -1.921 -7.463 1.00 0.00 C ATOM 124 O ARG A 10 3.782 -2.960 -8.130 1.00 0.00 O ATOM 125 CB ARG A 10 3.697 0.059 -9.078 1.00 0.00 C ATOM 126 CG ARG A 10 2.281 0.511 -8.666 1.00 0.00 C ATOM 127 CD ARG A 10 1.556 1.299 -9.770 1.00 0.00 C ATOM 128 NE ARG A 10 1.440 0.526 -11.021 1.00 0.00 N ATOM 129 CZ ARG A 10 0.382 -0.065 -11.538 1.00 0.00 C ATOM 130 NH1 ARG A 10 -0.825 0.051 -11.058 1.00 0.00 N ATOM 131 NH2 ARG A 10 0.573 -0.819 -12.577 1.00 0.00 N ATOM 0 H ARG A 10 5.836 -1.881 -8.977 1.00 0.00 H new ATOM 0 HA ARG A 10 4.565 0.005 -7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.265 0.932 -9.401 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.617 -0.605 -9.938 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.688 -0.365 -8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.349 1.129 -7.771 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.561 1.576 -9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.095 2.226 -9.966 1.00 0.00 H new ATOM 0 HE ARG A 10 2.300 0.436 -11.562 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.993 0.627 -10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.601 -0.434 -11.507 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.512 -0.933 -12.959 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.216 -1.297 -13.012 1.00 0.00 H new ATOM 145 N CYS A 11 3.097 -1.838 -6.311 1.00 0.00 N ATOM 146 CA CYS A 11 2.363 -2.958 -5.704 1.00 0.00 C ATOM 147 C CYS A 11 1.111 -2.511 -4.918 1.00 0.00 C ATOM 148 O CYS A 11 0.966 -1.343 -4.558 1.00 0.00 O ATOM 149 CB CYS A 11 3.340 -3.839 -4.901 1.00 0.00 C ATOM 150 SG CYS A 11 4.056 -2.958 -3.485 1.00 0.00 S ATOM 0 H CYS A 11 3.050 -0.980 -5.761 1.00 0.00 H new ATOM 0 HA CYS A 11 1.947 -3.576 -6.500 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.817 -4.728 -4.547 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.141 -4.180 -5.557 1.00 0.00 H new ATOM 0 HG CYS A 11 4.867 -3.749 -2.847 1.00 0.00 H new ATOM 156 N PHE A 12 0.174 -3.443 -4.736 1.00 0.00 N ATOM 157 CA PHE A 12 -1.140 -3.272 -4.103 1.00 0.00 C ATOM 158 C PHE A 12 -1.114 -3.670 -2.614 1.00 0.00 C ATOM 159 O PHE A 12 -0.364 -4.576 -2.233 1.00 0.00 O ATOM 160 CB PHE A 12 -2.136 -4.122 -4.909 1.00 0.00 C ATOM 161 CG PHE A 12 -3.585 -4.047 -4.469 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.445 -3.084 -5.033 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.090 -4.970 -3.532 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.802 -3.049 -4.665 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.447 -4.936 -3.165 1.00 0.00 C ATOM 166 CZ PHE A 12 -6.304 -3.978 -3.737 1.00 0.00 C ATOM 0 H PHE A 12 0.321 -4.403 -5.047 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.438 -2.224 -4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.079 -3.819 -5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.816 -5.163 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.062 -2.372 -5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.432 -5.706 -3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.459 -2.308 -5.096 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.831 -5.644 -2.445 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.348 -3.956 -3.463 1.00 0.00 H new ATOM 176 N VAL A 13 -1.949 -3.031 -1.784 1.00 0.00 N ATOM 177 CA VAL A 13 -2.075 -3.277 -0.333 1.00 0.00 C ATOM 178 C VAL A 13 -3.534 -3.351 0.117 1.00 0.00 C ATOM 179 O VAL A 13 -4.312 -2.436 -0.147 1.00 0.00 O ATOM 180 CB VAL A 13 -1.367 -2.204 0.532 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.120 -2.500 0.699 1.00 0.00 C ATOM 182 CG2 VAL A 13 -1.511 -0.759 0.032 1.00 0.00 C ATOM 0 H VAL A 13 -2.581 -2.301 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.586 -4.239 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.890 -2.271 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.579 -1.724 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.246 -3.468 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.599 -2.520 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.980 -0.086 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.089 -0.677 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.566 -0.487 0.004 1.00 0.00 H new ATOM 192 N GLY A 14 -3.874 -4.385 0.892 1.00 0.00 N ATOM 193 CA GLY A 14 -5.071 -4.432 1.749 1.00 0.00 C ATOM 194 C GLY A 14 -4.690 -4.271 3.227 1.00 0.00 C ATOM 195 O GLY A 14 -3.682 -4.841 3.647 1.00 0.00 O ATOM 0 H GLY A 14 -3.313 -5.235 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.763 -3.641 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.591 -5.379 1.604 1.00 0.00 H new ATOM 199 N SER A 15 -5.430 -3.443 3.985 1.00 0.00 N ATOM 200 CA SER A 15 -5.344 -3.292 5.466 1.00 0.00 C ATOM 201 C SER A 15 -6.140 -2.109 6.039 1.00 0.00 C ATOM 202 O SER A 15 -6.287 -2.005 7.260 1.00 0.00 O ATOM 203 CB SER A 15 -3.901 -3.080 5.964 1.00 0.00 C ATOM 204 OG SER A 15 -3.158 -2.249 5.093 1.00 0.00 O ATOM 0 H SER A 15 -6.136 -2.831 3.575 1.00 0.00 H new ATOM 0 HA SER A 15 -5.766 -4.235 5.814 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.922 -2.636 6.959 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.404 -4.045 6.057 1.00 0.00 H new ATOM 0 HG SER A 15 -2.250 -2.137 5.443 1.00 0.00 H new ATOM 210 N LEU A 16 -6.599 -1.161 5.212 1.00 0.00 N ATOM 211 CA LEU A 16 -7.049 0.143 5.705 1.00 0.00 C ATOM 212 C LEU A 16 -8.466 0.097 6.299 1.00 0.00 C ATOM 213 O LEU A 16 -9.290 -0.770 5.988 1.00 0.00 O ATOM 214 CB LEU A 16 -6.925 1.244 4.632 1.00 0.00 C ATOM 215 CG LEU A 16 -5.669 1.265 3.753 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.737 2.556 2.948 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.350 1.245 4.511 1.00 0.00 C ATOM 0 H LEU A 16 -6.668 -1.274 4.201 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.374 0.403 6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.790 1.165 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.994 2.208 5.136 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.672 0.356 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.864 2.627 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.642 2.558 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.755 3.408 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.522 1.262 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.290 2.119 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.291 0.340 5.115 1.00 0.00 H new ATOM 229 N SER A 17 -8.717 1.093 7.140 1.00 0.00 N ATOM 230 CA SER A 17 -9.987 1.442 7.798 1.00 0.00 C ATOM 231 C SER A 17 -10.157 2.971 7.830 1.00 0.00 C ATOM 232 O SER A 17 -9.235 3.697 7.460 1.00 0.00 O ATOM 233 CB SER A 17 -10.008 0.926 9.244 1.00 0.00 C ATOM 234 OG SER A 17 -9.717 -0.458 9.336 1.00 0.00 O ATOM 0 H SER A 17 -7.975 1.740 7.408 1.00 0.00 H new ATOM 0 HA SER A 17 -10.797 0.981 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.283 1.485 9.835 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.989 1.116 9.679 1.00 0.00 H new ATOM 0 HG SER A 17 -9.741 -0.736 10.276 1.00 0.00 H new ATOM 240 N TRP A 18 -11.295 3.479 8.312 1.00 0.00 N ATOM 241 CA TRP A 18 -11.603 4.915 8.478 1.00 0.00 C ATOM 242 C TRP A 18 -10.517 5.764 9.178 1.00 0.00 C ATOM 243 O TRP A 18 -10.394 6.956 8.877 1.00 0.00 O ATOM 244 CB TRP A 18 -12.910 5.029 9.281 1.00 0.00 C ATOM 245 CG TRP A 18 -12.825 4.556 10.701 1.00 0.00 C ATOM 246 CD1 TRP A 18 -12.948 3.274 11.115 1.00 0.00 C ATOM 247 CD2 TRP A 18 -12.534 5.336 11.904 1.00 0.00 C ATOM 248 NE1 TRP A 18 -12.702 3.202 12.469 1.00 0.00 N ATOM 249 CE2 TRP A 18 -12.435 4.440 13.009 1.00 0.00 C ATOM 250 CE3 TRP A 18 -12.296 6.704 12.167 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -12.104 4.872 14.300 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -11.943 7.148 13.457 1.00 0.00 C ATOM 253 CH2 TRP A 18 -11.840 6.233 14.521 1.00 0.00 C ATOM 0 H TRP A 18 -12.064 2.880 8.612 1.00 0.00 H new ATOM 0 HA TRP A 18 -11.674 5.322 7.469 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.230 6.071 9.280 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.684 4.457 8.769 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -13.200 2.436 10.482 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.716 2.335 13.007 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.386 7.422 11.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -12.053 4.166 15.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.750 8.197 13.630 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -11.559 6.577 15.505 1.00 0.00 H new ATOM 264 N ASN A 19 -9.733 5.178 10.096 1.00 0.00 N ATOM 265 CA ASN A 19 -8.651 5.855 10.828 1.00 0.00 C ATOM 266 C ASN A 19 -7.237 5.569 10.264 1.00 0.00 C ATOM 267 O ASN A 19 -6.251 6.128 10.748 1.00 0.00 O ATOM 268 CB ASN A 19 -8.782 5.545 12.328 1.00 0.00 C ATOM 269 CG ASN A 19 -8.023 6.537 13.190 1.00 0.00 C ATOM 270 OD1 ASN A 19 -8.252 7.739 13.137 1.00 0.00 O ATOM 271 ND2 ASN A 19 -7.106 6.082 14.005 1.00 0.00 N ATOM 0 H ASN A 19 -9.836 4.197 10.356 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.768 6.929 10.683 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.835 5.555 12.608 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.410 4.539 12.523 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.583 6.728 14.596 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.915 5.081 14.050 1.00 0.00 H new ATOM 278 N THR A 20 -7.119 4.721 9.237 1.00 0.00 N ATOM 279 CA THR A 20 -5.929 4.635 8.369 1.00 0.00 C ATOM 280 C THR A 20 -6.087 5.563 7.164 1.00 0.00 C ATOM 281 O THR A 20 -7.205 5.819 6.715 1.00 0.00 O ATOM 282 CB THR A 20 -5.639 3.206 7.854 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.291 2.192 8.592 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.147 2.879 7.900 1.00 0.00 C ATOM 0 H THR A 20 -7.855 4.064 8.978 1.00 0.00 H new ATOM 0 HA THR A 20 -5.086 4.937 8.991 1.00 0.00 H new ATOM 0 HB THR A 20 -6.017 3.214 6.832 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.203 2.377 9.550 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.985 1.867 7.530 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.600 3.585 7.275 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.790 2.951 8.927 1.00 0.00 H new ATOM 292 N ASP A 21 -4.977 6.004 6.576 1.00 0.00 N ATOM 293 CA ASP A 21 -4.937 6.572 5.223 1.00 0.00 C ATOM 294 C ASP A 21 -3.578 6.250 4.544 1.00 0.00 C ATOM 295 O ASP A 21 -2.770 5.496 5.091 1.00 0.00 O ATOM 296 CB ASP A 21 -5.160 8.107 5.283 1.00 0.00 C ATOM 297 CG ASP A 21 -6.589 8.565 5.593 1.00 0.00 C ATOM 298 OD1 ASP A 21 -7.464 8.470 4.700 1.00 0.00 O ATOM 299 OD2 ASP A 21 -6.842 9.111 6.693 1.00 0.00 O ATOM 0 H ASP A 21 -4.064 5.978 7.030 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.735 6.125 4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.494 8.522 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.861 8.536 4.326 1.00 0.00 H new ATOM 304 N ASP A 22 -3.303 6.827 3.365 1.00 0.00 N ATOM 305 CA ASP A 22 -2.032 6.687 2.632 1.00 0.00 C ATOM 306 C ASP A 22 -0.793 7.055 3.463 1.00 0.00 C ATOM 307 O ASP A 22 0.175 6.300 3.453 1.00 0.00 O ATOM 308 CB ASP A 22 -2.028 7.488 1.304 1.00 0.00 C ATOM 309 CG ASP A 22 -2.512 8.947 1.370 1.00 0.00 C ATOM 310 OD1 ASP A 22 -2.769 9.486 2.471 1.00 0.00 O ATOM 311 OD2 ASP A 22 -2.699 9.557 0.289 1.00 0.00 O ATOM 0 H ASP A 22 -3.976 7.421 2.880 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.965 5.623 2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.012 7.485 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.651 6.956 0.585 1.00 0.00 H new ATOM 316 N ARG A 23 -0.811 8.167 4.212 1.00 0.00 N ATOM 317 CA ARG A 23 0.346 8.664 4.990 1.00 0.00 C ATOM 318 C ARG A 23 0.885 7.655 6.008 1.00 0.00 C ATOM 319 O ARG A 23 2.099 7.462 6.082 1.00 0.00 O ATOM 320 CB ARG A 23 -0.027 9.985 5.684 1.00 0.00 C ATOM 321 CG ARG A 23 0.063 11.189 4.726 1.00 0.00 C ATOM 322 CD ARG A 23 -1.117 12.149 4.894 1.00 0.00 C ATOM 323 NE ARG A 23 -2.329 11.583 4.279 1.00 0.00 N ATOM 324 CZ ARG A 23 -3.583 11.924 4.467 1.00 0.00 C ATOM 325 NH1 ARG A 23 -3.962 12.867 5.280 1.00 0.00 N ATOM 326 NH2 ARG A 23 -4.487 11.286 3.793 1.00 0.00 N ATOM 0 H ARG A 23 -1.638 8.758 4.299 1.00 0.00 H new ATOM 0 HA ARG A 23 1.156 8.828 4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.040 9.912 6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.637 10.148 6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.995 11.726 4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.095 10.831 3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.293 12.338 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.882 13.109 4.434 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.173 10.823 3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.268 13.388 5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.953 13.085 5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.213 10.548 3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.472 11.522 3.911 1.00 0.00 H new ATOM 340 N GLY A 24 0.013 6.973 6.752 1.00 0.00 N ATOM 341 CA GLY A 24 0.428 5.964 7.732 1.00 0.00 C ATOM 342 C GLY A 24 1.076 4.723 7.108 1.00 0.00 C ATOM 343 O GLY A 24 1.995 4.153 7.703 1.00 0.00 O ATOM 0 H GLY A 24 -0.997 7.102 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.132 6.417 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.442 5.655 8.312 1.00 0.00 H new ATOM 347 N LEU A 25 0.670 4.347 5.888 1.00 0.00 N ATOM 348 CA LEU A 25 1.367 3.335 5.082 1.00 0.00 C ATOM 349 C LEU A 25 2.643 3.899 4.437 1.00 0.00 C ATOM 350 O LEU A 25 3.658 3.212 4.429 1.00 0.00 O ATOM 351 CB LEU A 25 0.406 2.728 4.033 1.00 0.00 C ATOM 352 CG LEU A 25 -0.445 1.533 4.509 1.00 0.00 C ATOM 353 CD1 LEU A 25 0.399 0.266 4.679 1.00 0.00 C ATOM 354 CD2 LEU A 25 -1.198 1.797 5.814 1.00 0.00 C ATOM 0 H LEU A 25 -0.154 4.737 5.430 1.00 0.00 H new ATOM 0 HA LEU A 25 1.688 2.533 5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.267 3.513 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.994 2.410 3.172 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.181 1.388 3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.237 -0.553 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.856 0.002 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.180 0.446 5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.775 0.913 6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.485 2.024 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.872 2.643 5.680 1.00 0.00 H new ATOM 366 N GLU A 26 2.648 5.146 3.957 1.00 0.00 N ATOM 367 CA GLU A 26 3.833 5.797 3.378 1.00 0.00 C ATOM 368 C GLU A 26 4.988 5.847 4.391 1.00 0.00 C ATOM 369 O GLU A 26 6.122 5.529 4.036 1.00 0.00 O ATOM 370 CB GLU A 26 3.491 7.214 2.871 1.00 0.00 C ATOM 371 CG GLU A 26 4.569 7.759 1.918 1.00 0.00 C ATOM 372 CD GLU A 26 4.493 9.280 1.750 1.00 0.00 C ATOM 373 OE1 GLU A 26 5.117 10.000 2.570 1.00 0.00 O ATOM 374 OE2 GLU A 26 3.849 9.770 0.787 1.00 0.00 O ATOM 0 H GLU A 26 1.820 5.742 3.958 1.00 0.00 H new ATOM 0 HA GLU A 26 4.157 5.199 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.530 7.194 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.384 7.888 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.554 7.488 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.461 7.284 0.943 1.00 0.00 H new ATOM 381 N ALA A 27 4.719 6.157 5.664 1.00 0.00 N ATOM 382 CA ALA A 27 5.706 6.115 6.736 1.00 0.00 C ATOM 383 C ALA A 27 6.231 4.688 7.007 1.00 0.00 C ATOM 384 O ALA A 27 7.439 4.488 7.158 1.00 0.00 O ATOM 385 CB ALA A 27 5.029 6.722 7.966 1.00 0.00 C ATOM 0 H ALA A 27 3.793 6.448 5.978 1.00 0.00 H new ATOM 0 HA ALA A 27 6.594 6.683 6.458 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.725 6.716 8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.731 7.748 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.147 6.135 8.223 1.00 0.00 H new ATOM 391 N ALA A 28 5.346 3.682 6.991 1.00 0.00 N ATOM 392 CA ALA A 28 5.711 2.271 7.158 1.00 0.00 C ATOM 393 C ALA A 28 6.479 1.691 5.948 1.00 0.00 C ATOM 394 O ALA A 28 7.241 0.738 6.118 1.00 0.00 O ATOM 395 CB ALA A 28 4.436 1.472 7.466 1.00 0.00 C ATOM 0 H ALA A 28 4.345 3.828 6.860 1.00 0.00 H new ATOM 0 HA ALA A 28 6.409 2.191 7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.688 0.419 7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.982 1.850 8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.731 1.579 6.641 1.00 0.00 H new ATOM 401 N PHE A 29 6.314 2.269 4.750 1.00 0.00 N ATOM 402 CA PHE A 29 7.061 1.929 3.532 1.00 0.00 C ATOM 403 C PHE A 29 8.375 2.712 3.366 1.00 0.00 C ATOM 404 O PHE A 29 9.347 2.189 2.809 1.00 0.00 O ATOM 405 CB PHE A 29 6.171 2.128 2.293 1.00 0.00 C ATOM 406 CG PHE A 29 5.217 0.989 1.996 1.00 0.00 C ATOM 407 CD1 PHE A 29 5.733 -0.288 1.712 1.00 0.00 C ATOM 408 CD2 PHE A 29 3.828 1.206 1.924 1.00 0.00 C ATOM 409 CE1 PHE A 29 4.871 -1.342 1.364 1.00 0.00 C ATOM 410 CE2 PHE A 29 2.963 0.149 1.592 1.00 0.00 C ATOM 411 CZ PHE A 29 3.486 -1.127 1.317 1.00 0.00 C ATOM 0 H PHE A 29 5.632 3.012 4.598 1.00 0.00 H new ATOM 0 HA PHE A 29 7.342 0.881 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.591 3.042 2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.812 2.280 1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.798 -0.460 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.426 2.188 2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.275 -2.317 1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.897 0.317 1.548 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.821 -1.941 1.070 1.00 0.00 H new ATOM 421 N SER A 30 8.443 3.939 3.889 1.00 0.00 N ATOM 422 CA SER A 30 9.661 4.764 3.853 1.00 0.00 C ATOM 423 C SER A 30 10.825 4.089 4.612 1.00 0.00 C ATOM 424 O SER A 30 11.993 4.328 4.305 1.00 0.00 O ATOM 425 CB SER A 30 9.388 6.165 4.421 1.00 0.00 C ATOM 426 OG SER A 30 8.382 6.836 3.675 1.00 0.00 O ATOM 0 H SER A 30 7.655 4.393 4.351 1.00 0.00 H new ATOM 0 HA SER A 30 9.958 4.865 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.078 6.084 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.307 6.751 4.407 1.00 0.00 H new ATOM 0 HG SER A 30 7.527 6.371 3.788 1.00 0.00 H new ATOM 432 N SER A 31 10.512 3.159 5.530 1.00 0.00 N ATOM 433 CA SER A 31 11.464 2.279 6.227 1.00 0.00 C ATOM 434 C SER A 31 12.247 1.329 5.300 1.00 0.00 C ATOM 435 O SER A 31 13.285 0.796 5.708 1.00 0.00 O ATOM 436 CB SER A 31 10.704 1.419 7.250 1.00 0.00 C ATOM 437 OG SER A 31 10.041 2.215 8.218 1.00 0.00 O ATOM 0 H SER A 31 9.548 2.993 5.818 1.00 0.00 H new ATOM 0 HA SER A 31 12.190 2.942 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.976 0.796 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.402 0.746 7.749 1.00 0.00 H new ATOM 0 HG SER A 31 9.568 1.635 8.850 1.00 0.00 H new ATOM 443 N PHE A 32 11.783 1.077 4.067 1.00 0.00 N ATOM 444 CA PHE A 32 12.479 0.212 3.100 1.00 0.00 C ATOM 445 C PHE A 32 13.349 0.978 2.093 1.00 0.00 C ATOM 446 O PHE A 32 14.406 0.462 1.723 1.00 0.00 O ATOM 447 CB PHE A 32 11.492 -0.726 2.389 1.00 0.00 C ATOM 448 CG PHE A 32 10.631 -1.539 3.338 1.00 0.00 C ATOM 449 CD1 PHE A 32 11.150 -2.650 4.030 1.00 0.00 C ATOM 450 CD2 PHE A 32 9.300 -1.152 3.551 1.00 0.00 C ATOM 451 CE1 PHE A 32 10.337 -3.350 4.943 1.00 0.00 C ATOM 452 CE2 PHE A 32 8.492 -1.842 4.468 1.00 0.00 C ATOM 453 CZ PHE A 32 9.010 -2.942 5.168 1.00 0.00 C ATOM 0 H PHE A 32 10.911 1.468 3.710 1.00 0.00 H new ATOM 0 HA PHE A 32 13.174 -0.391 3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.845 -0.134 1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.050 -1.406 1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.169 -2.965 3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.893 -0.315 3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 32 10.734 -4.203 5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.473 -1.527 4.635 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.392 -3.473 5.877 1.00 0.00 H new ATOM 463 N GLY A 33 12.937 2.176 1.658 1.00 0.00 N ATOM 464 CA GLY A 33 13.703 2.992 0.698 1.00 0.00 C ATOM 465 C GLY A 33 12.983 4.260 0.219 1.00 0.00 C ATOM 466 O GLY A 33 12.084 4.768 0.893 1.00 0.00 O ATOM 0 H GLY A 33 12.064 2.609 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.648 3.279 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.944 2.378 -0.169 1.00 0.00 H new ATOM 470 N GLU A 34 13.378 4.796 -0.940 1.00 0.00 N ATOM 471 CA GLU A 34 12.758 5.994 -1.526 1.00 0.00 C ATOM 472 C GLU A 34 11.409 5.711 -2.216 1.00 0.00 C ATOM 473 O GLU A 34 11.274 4.818 -3.060 1.00 0.00 O ATOM 474 CB GLU A 34 13.738 6.724 -2.457 1.00 0.00 C ATOM 475 CG GLU A 34 13.141 8.054 -2.938 1.00 0.00 C ATOM 476 CD GLU A 34 14.149 8.888 -3.719 1.00 0.00 C ATOM 477 OE1 GLU A 34 14.333 8.620 -4.931 1.00 0.00 O ATOM 478 OE2 GLU A 34 14.727 9.841 -3.141 1.00 0.00 O ATOM 0 H GLU A 34 14.138 4.412 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 34 12.524 6.658 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.676 6.909 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.971 6.093 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.273 7.855 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.789 8.624 -2.078 1.00 0.00 H new ATOM 485 N ILE A 35 10.415 6.535 -1.871 1.00 0.00 N ATOM 486 CA ILE A 35 8.999 6.379 -2.221 1.00 0.00 C ATOM 487 C ILE A 35 8.472 7.555 -3.060 1.00 0.00 C ATOM 488 O ILE A 35 8.792 8.721 -2.800 1.00 0.00 O ATOM 489 CB ILE A 35 8.196 6.129 -0.925 1.00 0.00 C ATOM 490 CG1 ILE A 35 6.714 5.843 -1.230 1.00 0.00 C ATOM 491 CG2 ILE A 35 8.328 7.284 0.090 1.00 0.00 C ATOM 492 CD1 ILE A 35 6.040 5.043 -0.114 1.00 0.00 C ATOM 0 H ILE A 35 10.584 7.371 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 35 8.873 5.513 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 35 8.632 5.244 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.185 6.786 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.637 5.292 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.743 7.054 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.375 7.408 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.959 8.206 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.996 4.865 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.551 4.088 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.092 5.605 0.819 1.00 0.00 H new ATOM 504 N LEU A 36 7.653 7.249 -4.070 1.00 0.00 N ATOM 505 CA LEU A 36 7.121 8.217 -5.040 1.00 0.00 C ATOM 506 C LEU A 36 5.637 8.542 -4.819 1.00 0.00 C ATOM 507 O LEU A 36 5.222 9.670 -5.088 1.00 0.00 O ATOM 508 CB LEU A 36 7.365 7.684 -6.465 1.00 0.00 C ATOM 509 CG LEU A 36 8.846 7.556 -6.864 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.935 6.972 -8.273 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.570 8.904 -6.857 1.00 0.00 C ATOM 0 H LEU A 36 7.332 6.296 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 36 7.651 9.158 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.893 6.706 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.868 8.346 -7.175 1.00 0.00 H new ATOM 0 HG LEU A 36 9.326 6.908 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.982 6.878 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.465 5.989 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.422 7.632 -8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.611 8.759 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.088 9.579 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.527 9.335 -5.857 1.00 0.00 H new ATOM 523 N ASP A 37 4.837 7.598 -4.318 1.00 0.00 N ATOM 524 CA ASP A 37 3.420 7.798 -3.984 1.00 0.00 C ATOM 525 C ASP A 37 2.869 6.620 -3.174 1.00 0.00 C ATOM 526 O ASP A 37 3.323 5.483 -3.334 1.00 0.00 O ATOM 527 CB ASP A 37 2.554 7.934 -5.261 1.00 0.00 C ATOM 528 CG ASP A 37 2.213 9.381 -5.625 1.00 0.00 C ATOM 529 OD1 ASP A 37 1.818 10.156 -4.719 1.00 0.00 O ATOM 530 OD2 ASP A 37 2.254 9.731 -6.830 1.00 0.00 O ATOM 0 H ASP A 37 5.162 6.650 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 37 3.369 8.715 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.081 7.473 -6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.628 7.376 -5.122 1.00 0.00 H new ATOM 535 N ALA A 38 1.809 6.881 -2.404 1.00 0.00 N ATOM 536 CA ALA A 38 0.817 5.883 -2.038 1.00 0.00 C ATOM 537 C ALA A 38 -0.591 6.434 -2.331 1.00 0.00 C ATOM 538 O ALA A 38 -0.824 7.643 -2.232 1.00 0.00 O ATOM 539 CB ALA A 38 1.015 5.470 -0.573 1.00 0.00 C ATOM 0 H ALA A 38 1.619 7.805 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 38 0.937 4.979 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.270 4.722 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.013 5.051 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.903 6.343 0.070 1.00 0.00 H new ATOM 545 N LYS A 39 -1.526 5.560 -2.711 1.00 0.00 N ATOM 546 CA LYS A 39 -2.945 5.873 -2.941 1.00 0.00 C ATOM 547 C LYS A 39 -3.795 5.307 -1.812 1.00 0.00 C ATOM 548 O LYS A 39 -3.608 4.154 -1.439 1.00 0.00 O ATOM 549 CB LYS A 39 -3.394 5.320 -4.309 1.00 0.00 C ATOM 550 CG LYS A 39 -4.904 5.445 -4.615 1.00 0.00 C ATOM 551 CD LYS A 39 -5.381 6.899 -4.752 1.00 0.00 C ATOM 552 CE LYS A 39 -6.885 6.917 -5.038 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.388 8.289 -5.265 1.00 0.00 N ATOM 0 H LYS A 39 -1.311 4.576 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.077 6.955 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.839 5.838 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.116 4.268 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.126 4.909 -5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.470 4.958 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.167 7.451 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.841 7.396 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.095 6.304 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.419 6.469 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.410 8.257 -5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.211 8.868 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.897 8.708 -6.080 1.00 0.00 H new ATOM 567 N ILE A 40 -4.779 6.078 -1.355 1.00 0.00 N ATOM 568 CA ILE A 40 -5.909 5.599 -0.548 1.00 0.00 C ATOM 569 C ILE A 40 -7.231 5.949 -1.229 1.00 0.00 C ATOM 570 O ILE A 40 -7.360 7.026 -1.816 1.00 0.00 O ATOM 571 CB ILE A 40 -5.825 6.141 0.898 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.934 5.551 1.801 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.772 7.680 0.973 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.222 6.367 1.971 1.00 0.00 C ATOM 0 H ILE A 40 -4.817 7.081 -1.538 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.859 4.513 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.869 5.795 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.206 4.573 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.508 5.385 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.714 7.992 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.894 8.040 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.671 8.098 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.907 5.832 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.983 7.337 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.692 6.512 0.998 1.00 0.00 H new ATOM 586 N ILE A 41 -8.233 5.071 -1.119 1.00 0.00 N ATOM 587 CA ILE A 41 -9.622 5.405 -1.464 1.00 0.00 C ATOM 588 C ILE A 41 -10.629 5.073 -0.341 1.00 0.00 C ATOM 589 O ILE A 41 -10.592 4.017 0.304 1.00 0.00 O ATOM 590 CB ILE A 41 -9.971 4.857 -2.864 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.384 5.267 -3.337 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.706 3.341 -2.974 1.00 0.00 C ATOM 593 CD1 ILE A 41 -11.564 6.779 -3.529 1.00 0.00 C ATOM 0 H ILE A 41 -8.107 4.114 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.713 6.489 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.288 5.336 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.601 4.763 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.116 4.914 -2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.965 2.998 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.651 3.141 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.314 2.811 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.581 6.985 -3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.381 7.290 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.858 7.137 -4.278 1.00 0.00 H new ATOM 715 N SER A 49 -15.187 3.282 3.447 1.00 0.00 N ATOM 716 CA SER A 49 -13.817 2.796 3.287 1.00 0.00 C ATOM 717 C SER A 49 -13.735 1.691 2.225 1.00 0.00 C ATOM 718 O SER A 49 -14.350 0.630 2.367 1.00 0.00 O ATOM 719 CB SER A 49 -13.263 2.338 4.645 1.00 0.00 C ATOM 720 OG SER A 49 -14.179 1.516 5.354 1.00 0.00 O ATOM 0 HA SER A 49 -13.193 3.614 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.333 1.791 4.489 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.021 3.212 5.249 1.00 0.00 H new ATOM 0 HG SER A 49 -15.096 1.791 5.144 1.00 0.00 H new ATOM 726 N ARG A 50 -12.959 1.898 1.151 1.00 0.00 N ATOM 727 CA ARG A 50 -12.589 0.822 0.204 1.00 0.00 C ATOM 728 C ARG A 50 -11.521 -0.088 0.814 1.00 0.00 C ATOM 729 O ARG A 50 -11.509 -1.292 0.573 1.00 0.00 O ATOM 730 CB ARG A 50 -12.097 1.402 -1.131 1.00 0.00 C ATOM 731 CG ARG A 50 -13.052 2.382 -1.838 1.00 0.00 C ATOM 732 CD ARG A 50 -14.356 1.791 -2.361 1.00 0.00 C ATOM 733 NE ARG A 50 -14.133 0.730 -3.363 1.00 0.00 N ATOM 734 CZ ARG A 50 -14.352 -0.565 -3.224 1.00 0.00 C ATOM 735 NH1 ARG A 50 -14.810 -1.087 -2.125 1.00 0.00 N ATOM 736 NH2 ARG A 50 -14.101 -1.377 -4.206 1.00 0.00 N ATOM 0 H ARG A 50 -12.569 2.809 0.910 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.482 0.229 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.150 1.913 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.891 0.574 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.295 3.186 -1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.521 2.834 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.927 1.384 -1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.959 2.584 -2.804 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.768 1.032 -4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.016 -0.490 -1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.964 -2.094 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.734 -1.015 -5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.271 -2.377 -4.097 1.00 0.00 H new ATOM 750 N GLY A 51 -10.661 0.495 1.648 1.00 0.00 N ATOM 751 CA GLY A 51 -9.752 -0.196 2.571 1.00 0.00 C ATOM 752 C GLY A 51 -8.476 -0.773 1.935 1.00 0.00 C ATOM 753 O GLY A 51 -7.773 -1.579 2.550 1.00 0.00 O ATOM 0 H GLY A 51 -10.572 1.510 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.462 0.501 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.298 -1.009 3.050 1.00 0.00 H new ATOM 757 N PHE A 52 -8.171 -0.353 0.708 1.00 0.00 N ATOM 758 CA PHE A 52 -6.977 -0.726 -0.048 1.00 0.00 C ATOM 759 C PHE A 52 -6.290 0.498 -0.666 1.00 0.00 C ATOM 760 O PHE A 52 -6.817 1.618 -0.647 1.00 0.00 O ATOM 761 CB PHE A 52 -7.318 -1.789 -1.111 1.00 0.00 C ATOM 762 CG PHE A 52 -8.412 -1.424 -2.103 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.156 -0.516 -3.152 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.680 -2.026 -2.006 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.164 -0.200 -4.079 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.686 -1.719 -2.940 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.430 -0.801 -3.974 1.00 0.00 C ATOM 0 H PHE A 52 -8.776 0.285 0.191 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.263 -1.166 0.648 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.411 -2.016 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.613 -2.704 -0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.181 -0.061 -3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.882 -2.728 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.966 0.505 -4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.656 -2.189 -2.863 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.205 -0.558 -4.686 1.00 0.00 H new ATOM 777 N GLY A 53 -5.106 0.256 -1.223 1.00 0.00 N ATOM 778 CA GLY A 53 -4.290 1.240 -1.917 1.00 0.00 C ATOM 779 C GLY A 53 -3.261 0.609 -2.855 1.00 0.00 C ATOM 780 O GLY A 53 -3.082 -0.610 -2.875 1.00 0.00 O ATOM 0 H GLY A 53 -4.675 -0.668 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.939 1.902 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.773 1.858 -1.183 1.00 0.00 H new ATOM 784 N PHE A 54 -2.568 1.445 -3.626 1.00 0.00 N ATOM 785 CA PHE A 54 -1.294 1.087 -4.268 1.00 0.00 C ATOM 786 C PHE A 54 -0.135 1.938 -3.733 1.00 0.00 C ATOM 787 O PHE A 54 -0.358 3.028 -3.206 1.00 0.00 O ATOM 788 CB PHE A 54 -1.417 1.098 -5.801 1.00 0.00 C ATOM 789 CG PHE A 54 -1.694 2.447 -6.446 1.00 0.00 C ATOM 790 CD1 PHE A 54 -0.643 3.358 -6.673 1.00 0.00 C ATOM 791 CD2 PHE A 54 -2.997 2.773 -6.871 1.00 0.00 C ATOM 792 CE1 PHE A 54 -0.897 4.589 -7.304 1.00 0.00 C ATOM 793 CE2 PHE A 54 -3.250 4.002 -7.507 1.00 0.00 C ATOM 794 CZ PHE A 54 -2.200 4.913 -7.718 1.00 0.00 C ATOM 0 H PHE A 54 -2.873 2.397 -3.827 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.051 0.059 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.493 0.702 -6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.216 0.413 -6.085 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.361 3.110 -6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.806 2.076 -6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.089 5.286 -7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.250 4.246 -7.833 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.395 5.861 -8.198 1.00 0.00 H new ATOM 804 N VAL A 55 1.102 1.470 -3.899 1.00 0.00 N ATOM 805 CA VAL A 55 2.347 2.181 -3.550 1.00 0.00 C ATOM 806 C VAL A 55 3.370 2.057 -4.688 1.00 0.00 C ATOM 807 O VAL A 55 3.387 1.036 -5.379 1.00 0.00 O ATOM 808 CB VAL A 55 2.888 1.673 -2.194 1.00 0.00 C ATOM 809 CG1 VAL A 55 3.253 0.185 -2.208 1.00 0.00 C ATOM 810 CG2 VAL A 55 4.107 2.470 -1.718 1.00 0.00 C ATOM 0 H VAL A 55 1.279 0.547 -4.296 1.00 0.00 H new ATOM 0 HA VAL A 55 2.141 3.245 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 55 2.062 1.821 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.626 -0.107 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.369 -0.404 -2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.024 0.007 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.449 2.075 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.907 2.385 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.833 3.518 -1.600 1.00 0.00 H new ATOM 820 N SER A 56 4.206 3.081 -4.908 1.00 0.00 N ATOM 821 CA SER A 56 5.253 3.087 -5.948 1.00 0.00 C ATOM 822 C SER A 56 6.585 3.672 -5.454 1.00 0.00 C ATOM 823 O SER A 56 6.610 4.630 -4.677 1.00 0.00 O ATOM 824 CB SER A 56 4.760 3.829 -7.196 1.00 0.00 C ATOM 825 OG SER A 56 5.680 3.695 -8.265 1.00 0.00 O ATOM 0 H SER A 56 4.176 3.942 -4.363 1.00 0.00 H new ATOM 0 HA SER A 56 5.451 2.046 -6.205 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.789 3.436 -7.497 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.619 4.885 -6.963 1.00 0.00 H new ATOM 0 HG SER A 56 6.147 2.837 -8.189 1.00 0.00 H new ATOM 831 N PHE A 57 7.698 3.092 -5.914 1.00 0.00 N ATOM 832 CA PHE A 57 9.063 3.336 -5.418 1.00 0.00 C ATOM 833 C PHE A 57 10.023 3.821 -6.516 1.00 0.00 C ATOM 834 O PHE A 57 9.805 3.559 -7.702 1.00 0.00 O ATOM 835 CB PHE A 57 9.614 2.039 -4.802 1.00 0.00 C ATOM 836 CG PHE A 57 8.797 1.471 -3.659 1.00 0.00 C ATOM 837 CD1 PHE A 57 7.742 0.577 -3.924 1.00 0.00 C ATOM 838 CD2 PHE A 57 9.098 1.826 -2.329 1.00 0.00 C ATOM 839 CE1 PHE A 57 6.997 0.031 -2.865 1.00 0.00 C ATOM 840 CE2 PHE A 57 8.351 1.282 -1.269 1.00 0.00 C ATOM 841 CZ PHE A 57 7.301 0.385 -1.540 1.00 0.00 C ATOM 0 H PHE A 57 7.675 2.411 -6.673 1.00 0.00 H new ATOM 0 HA PHE A 57 8.999 4.130 -4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.686 1.285 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.627 2.226 -4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.505 0.310 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.903 2.516 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.192 -0.660 -3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.583 1.552 -0.249 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.727 -0.033 -0.726 1.00 0.00 H new ATOM 851 N SER A 58 11.133 4.456 -6.123 1.00 0.00 N ATOM 852 CA SER A 58 12.226 4.807 -7.051 1.00 0.00 C ATOM 853 C SER A 58 13.027 3.590 -7.543 1.00 0.00 C ATOM 854 O SER A 58 13.639 3.653 -8.610 1.00 0.00 O ATOM 855 CB SER A 58 13.207 5.778 -6.383 1.00 0.00 C ATOM 856 OG SER A 58 12.627 7.058 -6.217 1.00 0.00 O ATOM 0 H SER A 58 11.303 4.742 -5.159 1.00 0.00 H new ATOM 0 HA SER A 58 11.740 5.265 -7.912 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.509 5.384 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.110 5.861 -6.988 1.00 0.00 H new ATOM 0 HG SER A 58 13.309 7.688 -5.902 1.00 0.00 H new ATOM 862 N ASN A 59 13.040 2.491 -6.777 1.00 0.00 N ATOM 863 CA ASN A 59 13.926 1.339 -6.974 1.00 0.00 C ATOM 864 C ASN A 59 13.188 0.000 -6.799 1.00 0.00 C ATOM 865 O ASN A 59 12.247 -0.120 -6.011 1.00 0.00 O ATOM 866 CB ASN A 59 15.108 1.432 -5.989 1.00 0.00 C ATOM 867 CG ASN A 59 15.937 2.687 -6.180 1.00 0.00 C ATOM 868 OD1 ASN A 59 15.667 3.728 -5.596 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.949 2.640 -7.012 1.00 0.00 N ATOM 0 H ASN A 59 12.415 2.377 -5.979 1.00 0.00 H new ATOM 0 HA ASN A 59 14.293 1.367 -8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 59 14.727 1.406 -4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.747 0.558 -6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.515 3.473 -7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.171 1.770 -7.497 1.00 0.00 H new ATOM 876 N GLU A 60 13.673 -1.031 -7.487 1.00 0.00 N ATOM 877 CA GLU A 60 13.097 -2.379 -7.490 1.00 0.00 C ATOM 878 C GLU A 60 13.358 -3.108 -6.168 1.00 0.00 C ATOM 879 O GLU A 60 12.440 -3.691 -5.585 1.00 0.00 O ATOM 880 CB GLU A 60 13.688 -3.168 -8.668 1.00 0.00 C ATOM 881 CG GLU A 60 12.932 -4.476 -8.926 1.00 0.00 C ATOM 882 CD GLU A 60 13.531 -5.212 -10.126 1.00 0.00 C ATOM 883 OE1 GLU A 60 13.371 -4.734 -11.275 1.00 0.00 O ATOM 884 OE2 GLU A 60 14.166 -6.275 -9.937 1.00 0.00 O ATOM 0 H GLU A 60 14.502 -0.952 -8.076 1.00 0.00 H new ATOM 0 HA GLU A 60 12.016 -2.299 -7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.661 -2.551 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.736 -3.390 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.979 -5.111 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.879 -4.264 -9.110 1.00 0.00 H new ATOM 891 N GLN A 61 14.592 -3.032 -5.651 1.00 0.00 N ATOM 892 CA GLN A 61 14.955 -3.720 -4.412 1.00 0.00 C ATOM 893 C GLN A 61 14.189 -3.164 -3.202 1.00 0.00 C ATOM 894 O GLN A 61 13.831 -3.941 -2.317 1.00 0.00 O ATOM 895 CB GLN A 61 16.480 -3.678 -4.199 1.00 0.00 C ATOM 896 CG GLN A 61 16.990 -4.565 -3.046 1.00 0.00 C ATOM 897 CD GLN A 61 16.556 -6.027 -3.134 1.00 0.00 C ATOM 898 OE1 GLN A 61 17.256 -6.891 -3.648 1.00 0.00 O ATOM 899 NE2 GLN A 61 15.386 -6.358 -2.633 1.00 0.00 N ATOM 0 H GLN A 61 15.353 -2.500 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 61 14.659 -4.765 -4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.971 -3.986 -5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.779 -2.647 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.079 -4.523 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.637 -4.150 -2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.796 -5.646 -2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.069 -7.327 -2.675 1.00 0.00 H new ATOM 908 N ALA A 62 13.860 -1.867 -3.198 1.00 0.00 N ATOM 909 CA ALA A 62 13.014 -1.251 -2.176 1.00 0.00 C ATOM 910 C ALA A 62 11.591 -1.838 -2.191 1.00 0.00 C ATOM 911 O ALA A 62 11.095 -2.256 -1.146 1.00 0.00 O ATOM 912 CB ALA A 62 13.007 0.269 -2.382 1.00 0.00 C ATOM 0 H ALA A 62 14.178 -1.212 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 62 13.424 -1.471 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.378 0.736 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.024 0.652 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.614 0.500 -3.372 1.00 0.00 H new ATOM 918 N MET A 63 10.965 -1.963 -3.372 1.00 0.00 N ATOM 919 CA MET A 63 9.651 -2.608 -3.513 1.00 0.00 C ATOM 920 C MET A 63 9.689 -4.080 -3.072 1.00 0.00 C ATOM 921 O MET A 63 8.799 -4.538 -2.356 1.00 0.00 O ATOM 922 CB MET A 63 9.176 -2.514 -4.975 1.00 0.00 C ATOM 923 CG MET A 63 7.739 -3.035 -5.141 1.00 0.00 C ATOM 924 SD MET A 63 7.239 -3.464 -6.830 1.00 0.00 S ATOM 925 CE MET A 63 8.228 -4.958 -7.127 1.00 0.00 C ATOM 0 H MET A 63 11.353 -1.622 -4.251 1.00 0.00 H new ATOM 0 HA MET A 63 8.951 -2.083 -2.863 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.228 -1.478 -5.309 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.847 -3.088 -5.613 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.619 -3.917 -4.513 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.053 -2.278 -4.762 1.00 0.00 H new ATOM 0 HE1 MET A 63 7.887 -5.445 -8.041 1.00 0.00 H new ATOM 0 HE2 MET A 63 9.278 -4.684 -7.232 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.114 -5.643 -6.287 1.00 0.00 H new ATOM 935 N GLN A 64 10.712 -4.831 -3.483 1.00 0.00 N ATOM 936 CA GLN A 64 10.799 -6.265 -3.207 1.00 0.00 C ATOM 937 C GLN A 64 11.110 -6.555 -1.737 1.00 0.00 C ATOM 938 O GLN A 64 10.542 -7.493 -1.181 1.00 0.00 O ATOM 939 CB GLN A 64 11.848 -6.929 -4.112 1.00 0.00 C ATOM 940 CG GLN A 64 11.418 -7.039 -5.587 1.00 0.00 C ATOM 941 CD GLN A 64 10.304 -8.054 -5.854 1.00 0.00 C ATOM 942 OE1 GLN A 64 9.748 -8.693 -4.962 1.00 0.00 O ATOM 943 NE2 GLN A 64 9.938 -8.238 -7.102 1.00 0.00 N ATOM 0 H GLN A 64 11.501 -4.463 -4.015 1.00 0.00 H new ATOM 0 HA GLN A 64 9.819 -6.690 -3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.776 -6.359 -4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.063 -7.927 -3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.087 -6.058 -5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.288 -7.309 -6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.392 -7.713 -7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.199 -8.906 -7.324 1.00 0.00 H new ATOM 952 N ASP A 65 11.958 -5.747 -1.095 1.00 0.00 N ATOM 953 CA ASP A 65 12.257 -5.853 0.336 1.00 0.00 C ATOM 954 C ASP A 65 11.090 -5.358 1.205 1.00 0.00 C ATOM 955 O ASP A 65 10.899 -5.861 2.314 1.00 0.00 O ATOM 956 CB ASP A 65 13.555 -5.085 0.631 1.00 0.00 C ATOM 957 CG ASP A 65 14.131 -5.358 2.021 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.086 -6.522 2.491 1.00 0.00 O ATOM 959 OD2 ASP A 65 14.733 -4.428 2.610 1.00 0.00 O ATOM 0 H ASP A 65 12.462 -4.992 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 65 12.396 -6.903 0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.301 -5.348 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.365 -4.016 0.530 1.00 0.00 H new ATOM 964 N ALA A 66 10.265 -4.436 0.693 1.00 0.00 N ATOM 965 CA ALA A 66 9.012 -4.060 1.321 1.00 0.00 C ATOM 966 C ALA A 66 8.011 -5.224 1.294 1.00 0.00 C ATOM 967 O ALA A 66 7.599 -5.691 2.348 1.00 0.00 O ATOM 968 CB ALA A 66 8.490 -2.800 0.631 1.00 0.00 C ATOM 0 H ALA A 66 10.458 -3.933 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 66 9.164 -3.834 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.547 -2.499 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.219 -1.997 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.331 -3.004 -0.428 1.00 0.00 H new ATOM 974 N ILE A 67 7.678 -5.757 0.111 1.00 0.00 N ATOM 975 CA ILE A 67 6.824 -6.950 -0.067 1.00 0.00 C ATOM 976 C ILE A 67 7.312 -8.133 0.793 1.00 0.00 C ATOM 977 O ILE A 67 6.505 -8.743 1.497 1.00 0.00 O ATOM 978 CB ILE A 67 6.721 -7.329 -1.567 1.00 0.00 C ATOM 979 CG1 ILE A 67 5.974 -6.231 -2.364 1.00 0.00 C ATOM 980 CG2 ILE A 67 5.986 -8.672 -1.750 1.00 0.00 C ATOM 981 CD1 ILE A 67 6.130 -6.369 -3.886 1.00 0.00 C ATOM 0 H ILE A 67 8.000 -5.365 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 67 5.822 -6.702 0.283 1.00 0.00 H new ATOM 0 HB ILE A 67 7.738 -7.423 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.915 -6.266 -2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.344 -5.253 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.928 -8.913 -2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.531 -9.459 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.979 -8.594 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.582 -5.568 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.185 -6.305 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.734 -7.332 -4.206 1.00 0.00 H new ATOM 993 N GLU A 68 8.622 -8.411 0.809 1.00 0.00 N ATOM 994 CA GLU A 68 9.227 -9.466 1.641 1.00 0.00 C ATOM 995 C GLU A 68 9.028 -9.234 3.153 1.00 0.00 C ATOM 996 O GLU A 68 8.882 -10.198 3.903 1.00 0.00 O ATOM 997 CB GLU A 68 10.718 -9.586 1.271 1.00 0.00 C ATOM 998 CG GLU A 68 11.431 -10.803 1.873 1.00 0.00 C ATOM 999 CD GLU A 68 12.864 -10.910 1.335 1.00 0.00 C ATOM 1000 OE1 GLU A 68 13.777 -10.237 1.872 1.00 0.00 O ATOM 1001 OE2 GLU A 68 13.119 -11.668 0.368 1.00 0.00 O ATOM 0 H GLU A 68 9.301 -7.906 0.240 1.00 0.00 H new ATOM 0 HA GLU A 68 8.717 -10.406 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.807 -9.630 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.233 -8.682 1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.450 -10.719 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.878 -11.711 1.633 1.00 0.00 H new ATOM 1008 N GLY A 69 8.948 -7.979 3.611 1.00 0.00 N ATOM 1009 CA GLY A 69 8.596 -7.626 4.993 1.00 0.00 C ATOM 1010 C GLY A 69 7.089 -7.491 5.274 1.00 0.00 C ATOM 1011 O GLY A 69 6.696 -7.467 6.441 1.00 0.00 O ATOM 0 H GLY A 69 9.129 -7.166 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.007 -8.384 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.082 -6.683 5.245 1.00 0.00 H new ATOM 1015 N MET A 70 6.247 -7.394 4.239 1.00 0.00 N ATOM 1016 CA MET A 70 4.835 -6.979 4.334 1.00 0.00 C ATOM 1017 C MET A 70 3.827 -8.124 4.422 1.00 0.00 C ATOM 1018 O MET A 70 2.779 -7.937 5.040 1.00 0.00 O ATOM 1019 CB MET A 70 4.486 -6.103 3.119 1.00 0.00 C ATOM 1020 CG MET A 70 4.936 -4.653 3.316 1.00 0.00 C ATOM 1021 SD MET A 70 3.770 -3.689 4.317 1.00 0.00 S ATOM 1022 CE MET A 70 4.805 -2.305 4.856 1.00 0.00 C ATOM 0 H MET A 70 6.533 -7.607 3.283 1.00 0.00 H new ATOM 0 HA MET A 70 4.751 -6.435 5.275 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.960 -6.513 2.227 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.410 -6.130 2.949 1.00 0.00 H new ATOM 0 HG2 MET A 70 5.915 -4.642 3.795 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.052 -4.177 2.342 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.180 -1.429 5.028 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.317 -2.572 5.780 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.542 -2.080 4.085 1.00 0.00 H new ATOM 1032 N ASN A 71 4.088 -9.286 3.809 1.00 0.00 N ATOM 1033 CA ASN A 71 3.099 -10.369 3.706 1.00 0.00 C ATOM 1034 C ASN A 71 2.670 -10.882 5.099 1.00 0.00 C ATOM 1035 O ASN A 71 3.376 -11.671 5.742 1.00 0.00 O ATOM 1036 CB ASN A 71 3.638 -11.472 2.765 1.00 0.00 C ATOM 1037 CG ASN A 71 2.577 -12.501 2.393 1.00 0.00 C ATOM 1038 OD1 ASN A 71 1.510 -12.569 2.990 1.00 0.00 O ATOM 1039 ND2 ASN A 71 2.785 -13.289 1.368 1.00 0.00 N ATOM 0 H ASN A 71 4.984 -9.502 3.373 1.00 0.00 H new ATOM 0 HA ASN A 71 2.181 -9.988 3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.025 -11.011 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.475 -11.978 3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.063 -13.948 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.669 -13.244 0.861 1.00 0.00 H new ATOM 1046 N GLY A 72 1.503 -10.413 5.554 1.00 0.00 N ATOM 1047 CA GLY A 72 0.900 -10.735 6.851 1.00 0.00 C ATOM 1048 C GLY A 72 1.233 -9.792 8.020 1.00 0.00 C ATOM 1049 O GLY A 72 0.805 -10.097 9.136 1.00 0.00 O ATOM 0 H GLY A 72 0.930 -9.772 5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.183 -10.755 6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.208 -11.743 7.129 1.00 0.00 H new ATOM 1053 N LYS A 73 1.957 -8.672 7.815 1.00 0.00 N ATOM 1054 CA LYS A 73 2.321 -7.746 8.916 1.00 0.00 C ATOM 1055 C LYS A 73 1.073 -7.184 9.599 1.00 0.00 C ATOM 1056 O LYS A 73 0.121 -6.801 8.923 1.00 0.00 O ATOM 1057 CB LYS A 73 3.235 -6.583 8.446 1.00 0.00 C ATOM 1058 CG LYS A 73 4.145 -6.081 9.581 1.00 0.00 C ATOM 1059 CD LYS A 73 5.092 -4.969 9.101 1.00 0.00 C ATOM 1060 CE LYS A 73 5.876 -4.400 10.293 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.961 -3.481 9.870 1.00 0.00 N ATOM 0 H LYS A 73 2.302 -8.384 6.899 1.00 0.00 H new ATOM 0 HA LYS A 73 2.888 -8.338 9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.848 -6.917 7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.619 -5.760 8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.532 -5.708 10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.730 -6.913 9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.782 -5.364 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.521 -4.176 8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.191 -3.869 10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.303 -5.221 10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.460 -3.124 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.631 -3.992 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.554 -2.682 9.343 1.00 0.00 H new ATOM 1075 N GLU A 74 1.093 -7.079 10.923 1.00 0.00 N ATOM 1076 CA GLU A 74 0.086 -6.300 11.653 1.00 0.00 C ATOM 1077 C GLU A 74 0.431 -4.804 11.601 1.00 0.00 C ATOM 1078 O GLU A 74 1.544 -4.396 11.952 1.00 0.00 O ATOM 1079 CB GLU A 74 -0.090 -6.821 13.086 1.00 0.00 C ATOM 1080 CG GLU A 74 -0.674 -8.241 13.073 1.00 0.00 C ATOM 1081 CD GLU A 74 -1.016 -8.739 14.479 1.00 0.00 C ATOM 1082 OE1 GLU A 74 -0.096 -8.867 15.325 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -2.210 -9.015 14.748 1.00 0.00 O ATOM 0 H GLU A 74 1.794 -7.522 11.518 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.880 -6.426 11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.871 -6.821 13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.749 -6.155 13.643 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.572 -8.257 12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.042 -8.922 12.612 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.523 -3.993 11.138 1.00 0.00 N ATOM 1091 CA LEU A 75 -0.402 -2.543 11.007 1.00 0.00 C ATOM 1092 C LEU A 75 -1.746 -1.866 11.267 1.00 0.00 C ATOM 1093 O LEU A 75 -2.783 -2.341 10.811 1.00 0.00 O ATOM 1094 CB LEU A 75 0.099 -2.188 9.597 1.00 0.00 C ATOM 1095 CG LEU A 75 0.983 -0.928 9.595 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.350 -1.270 10.188 1.00 0.00 C ATOM 1097 CD2 LEU A 75 1.196 -0.401 8.178 1.00 0.00 C ATOM 0 H LEU A 75 -1.432 -4.342 10.834 1.00 0.00 H new ATOM 0 HA LEU A 75 0.315 -2.185 11.746 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.664 -3.027 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.755 -2.032 8.938 1.00 0.00 H new ATOM 0 HG LEU A 75 0.479 -0.163 10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.979 -0.380 10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.224 -1.626 11.211 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.822 -2.048 9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.824 0.489 8.211 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.683 -1.167 7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.233 -0.149 7.735 1.00 0.00 H new ATOM 1109 N ASP A 76 -1.729 -0.760 12.008 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.947 -0.068 12.489 1.00 0.00 C ATOM 1111 C ASP A 76 -3.992 -1.017 13.158 1.00 0.00 C ATOM 1112 O ASP A 76 -5.201 -0.752 13.183 1.00 0.00 O ATOM 1113 CB ASP A 76 -3.507 0.795 11.339 1.00 0.00 C ATOM 1114 CG ASP A 76 -4.496 1.877 11.782 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -4.269 2.564 12.809 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -5.486 2.119 11.054 1.00 0.00 O ATOM 0 H ASP A 76 -0.864 -0.305 12.301 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.678 0.593 13.313 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.675 1.271 10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.000 0.142 10.619 1.00 0.00 H new ATOM 1121 N GLY A 77 -3.528 -2.163 13.677 1.00 0.00 N ATOM 1122 CA GLY A 77 -4.338 -3.246 14.250 1.00 0.00 C ATOM 1123 C GLY A 77 -5.056 -4.168 13.247 1.00 0.00 C ATOM 1124 O GLY A 77 -5.990 -4.873 13.641 1.00 0.00 O ATOM 0 H GLY A 77 -2.530 -2.369 13.710 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.692 -3.861 14.877 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.089 -2.802 14.904 1.00 0.00 H new ATOM 1128 N ARG A 78 -4.669 -4.183 11.965 1.00 0.00 N ATOM 1129 CA ARG A 78 -5.173 -5.087 10.914 1.00 0.00 C ATOM 1130 C ARG A 78 -4.031 -5.856 10.251 1.00 0.00 C ATOM 1131 O ARG A 78 -2.877 -5.448 10.342 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.954 -4.257 9.881 1.00 0.00 C ATOM 1133 CG ARG A 78 -7.213 -3.607 10.473 1.00 0.00 C ATOM 1134 CD ARG A 78 -8.275 -4.666 10.814 1.00 0.00 C ATOM 1135 NE ARG A 78 -9.472 -4.088 11.446 1.00 0.00 N ATOM 1136 CZ ARG A 78 -9.655 -3.819 12.724 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -8.714 -3.937 13.616 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -10.824 -3.423 13.124 1.00 0.00 N ATOM 0 H ARG A 78 -3.963 -3.537 11.612 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.836 -5.827 11.362 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.304 -3.480 9.479 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.239 -4.898 9.047 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.950 -3.049 11.372 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.625 -2.890 9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.567 -5.188 9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.840 -5.409 11.482 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.250 -3.870 10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.784 -4.250 13.338 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.907 -3.716 14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.586 -3.324 12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.981 -3.211 14.109 1.00 0.00 H new ATOM 1152 N SER A 79 -4.346 -6.967 9.588 1.00 0.00 N ATOM 1153 CA SER A 79 -3.347 -7.819 8.932 1.00 0.00 C ATOM 1154 C SER A 79 -3.198 -7.451 7.451 1.00 0.00 C ATOM 1155 O SER A 79 -4.182 -7.397 6.709 1.00 0.00 O ATOM 1156 CB SER A 79 -3.713 -9.295 9.115 1.00 0.00 C ATOM 1157 OG SER A 79 -3.615 -9.661 10.486 1.00 0.00 O ATOM 0 H SER A 79 -5.303 -7.306 9.488 1.00 0.00 H new ATOM 0 HA SER A 79 -2.378 -7.650 9.403 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.727 -9.473 8.756 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.049 -9.918 8.517 1.00 0.00 H new ATOM 0 HG SER A 79 -3.853 -10.606 10.590 1.00 0.00 H new ATOM 1163 N ILE A 80 -1.963 -7.188 7.017 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.636 -6.762 5.649 1.00 0.00 C ATOM 1165 C ILE A 80 -1.700 -7.924 4.649 1.00 0.00 C ATOM 1166 O ILE A 80 -1.330 -9.063 4.957 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.279 -6.005 5.624 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.502 -4.607 6.245 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.324 -5.869 4.211 1.00 0.00 C ATOM 1170 CD1 ILE A 80 0.718 -3.685 6.287 1.00 0.00 C ATOM 0 H ILE A 80 -1.143 -7.266 7.618 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.401 -6.059 5.319 1.00 0.00 H new ATOM 0 HB ILE A 80 0.442 -6.587 6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.292 -4.105 5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.867 -4.739 7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.270 -5.330 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.496 -6.860 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.367 -5.320 3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.440 -2.735 6.743 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.508 -4.153 6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.077 -3.510 5.273 1.00 0.00 H new ATOM 1182 N VAL A 81 -2.107 -7.596 3.420 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.927 -8.421 2.215 1.00 0.00 C ATOM 1184 C VAL A 81 -1.253 -7.581 1.127 1.00 0.00 C ATOM 1185 O VAL A 81 -1.632 -6.427 0.925 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.270 -9.023 1.753 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -3.199 -9.696 0.376 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.706 -10.090 2.764 1.00 0.00 C ATOM 0 H VAL A 81 -2.589 -6.718 3.226 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.277 -9.267 2.440 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.974 -8.194 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.179 -10.097 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.896 -8.963 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.471 -10.507 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.655 -10.524 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.949 -10.872 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.824 -9.633 3.747 1.00 0.00 H new ATOM 1198 N VAL A 82 -0.257 -8.157 0.442 1.00 0.00 N ATOM 1199 CA VAL A 82 0.552 -7.513 -0.611 1.00 0.00 C ATOM 1200 C VAL A 82 0.621 -8.342 -1.899 1.00 0.00 C ATOM 1201 O VAL A 82 0.828 -9.560 -1.850 1.00 0.00 O ATOM 1202 CB VAL A 82 1.986 -7.182 -0.158 1.00 0.00 C ATOM 1203 CG1 VAL A 82 1.974 -5.904 0.675 1.00 0.00 C ATOM 1204 CG2 VAL A 82 2.677 -8.299 0.635 1.00 0.00 C ATOM 0 H VAL A 82 0.022 -9.124 0.610 1.00 0.00 H new ATOM 0 HA VAL A 82 0.028 -6.580 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 82 2.567 -7.057 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.989 -5.669 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.584 -5.082 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.340 -6.046 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.681 -7.980 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.102 -8.515 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.739 -9.197 0.020 1.00 0.00 H new ATOM 1214 N ASN A 83 0.531 -7.692 -3.064 1.00 0.00 N ATOM 1215 CA ASN A 83 0.915 -8.286 -4.356 1.00 0.00 C ATOM 1216 C ASN A 83 1.383 -7.245 -5.390 1.00 0.00 C ATOM 1217 O ASN A 83 0.993 -6.082 -5.355 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.192 -9.195 -4.936 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.592 -8.606 -4.901 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -2.013 -7.870 -5.780 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -2.376 -8.936 -3.899 1.00 0.00 N ATOM 0 H ASN A 83 0.189 -6.734 -3.141 1.00 0.00 H new ATOM 0 HA ASN A 83 1.778 -8.915 -4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.059 -9.434 -5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.196 -10.135 -4.384 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.330 -8.578 -3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.030 -9.550 -3.162 1.00 0.00 H new ATOM 1228 N GLU A 84 2.243 -7.674 -6.314 1.00 0.00 N ATOM 1229 CA GLU A 84 2.755 -6.860 -7.425 1.00 0.00 C ATOM 1230 C GLU A 84 1.654 -6.368 -8.382 1.00 0.00 C ATOM 1231 O GLU A 84 0.718 -7.103 -8.710 1.00 0.00 O ATOM 1232 CB GLU A 84 3.832 -7.632 -8.209 1.00 0.00 C ATOM 1233 CG GLU A 84 3.388 -9.017 -8.730 1.00 0.00 C ATOM 1234 CD GLU A 84 3.693 -9.184 -10.222 1.00 0.00 C ATOM 1235 OE1 GLU A 84 4.836 -9.559 -10.580 1.00 0.00 O ATOM 1236 OE2 GLU A 84 2.797 -8.924 -11.058 1.00 0.00 O ATOM 0 H GLU A 84 2.615 -8.624 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 84 3.195 -5.971 -6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.149 -7.025 -9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.704 -7.763 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.896 -9.799 -8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.319 -9.144 -8.560 1.00 0.00 H new ATOM 1243 N ALA A 85 1.793 -5.133 -8.881 1.00 0.00 N ATOM 1244 CA ALA A 85 0.818 -4.522 -9.788 1.00 0.00 C ATOM 1245 C ALA A 85 1.029 -4.879 -11.273 1.00 0.00 C ATOM 1246 O ALA A 85 0.160 -4.597 -12.098 1.00 0.00 O ATOM 1247 CB ALA A 85 0.829 -3.005 -9.570 1.00 0.00 C ATOM 0 H ALA A 85 2.587 -4.530 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.161 -4.935 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.107 -2.536 -10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.563 -2.784 -8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.825 -2.615 -9.779 1.00 0.00 H new