USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 729 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 12 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.43) USER MOD Single : A 14 HIS : no HE2:sc= -0.583 K(o=-0.58,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.0458 (180deg=-0.299) USER MOD Single : A 20 THR OG1 : rot 19:sc= 0.317 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.17) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= 0.909 (180deg=0.465) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0761 USER MOD Single : A 42 TYR OH : rot -20:sc= -1.41 USER MOD Single : A 57 HIS : no HE2:sc= -1.78 X(o=-1.8,f=-1.5) USER MOD Single : A 59 GLN :FLIP amide:sc= -4.34! C(o=-5.7!,f=-4.3!) USER MOD Single : A 63 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.2!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.376 K(o=0.38,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.0124 (180deg=-0.239) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -0.148 (180deg=-0.26) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot -101:sc= 0.646 USER MOD Single : A 82 HIS : no HD1:sc=-0.00422 X(o=-0.0042,f=-0.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.18) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.82) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 150:sc= 0 USER MOD Single : A 97 CYS SG : rot 71:sc= -0.275 USER MOD Single : A 98 SER OG : rot -26:sc= 0.149 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 165:sc= -1.88 (180deg=-2.74) USER MOD Single : A 107 CYS SG : rot -4:sc= 0.00892 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.066 -3.967 1.611 1.00 1.42 N ATOM 148 CA GLN A 12 15.106 -2.796 2.480 1.00 60.21 C ATOM 149 C GLN A 12 13.751 -2.096 2.513 1.00 23.40 C ATOM 150 O GLN A 12 12.931 -2.236 1.606 1.00 34.51 O ATOM 151 CB GLN A 12 16.186 -1.821 2.008 1.00 53.03 C ATOM 152 CG GLN A 12 16.236 -1.654 0.498 1.00 43.14 C ATOM 153 CD GLN A 12 17.343 -2.468 -0.143 1.00 4.31 C ATOM 154 OE1 GLN A 12 18.471 -2.500 0.351 1.00 71.40 O ATOM 155 NE2 GLN A 12 17.027 -3.131 -1.249 1.00 0.10 N ATOM 0 HA GLN A 12 15.346 -3.132 3.489 1.00 60.21 H new ATOM 0 HB2 GLN A 12 16.011 -0.848 2.467 1.00 53.03 H new ATOM 0 HB3 GLN A 12 17.157 -2.170 2.359 1.00 53.03 H new ATOM 0 HG2 GLN A 12 15.278 -1.951 0.072 1.00 43.14 H new ATOM 0 HG3 GLN A 12 16.379 -0.601 0.257 1.00 43.14 H new ATOM 0 HE21 GLN A 12 16.080 -3.076 -1.623 1.00 0.10 H new ATOM 0 HE22 GLN A 12 17.731 -3.695 -1.724 1.00 0.10 H new ATOM 164 N PRO A 13 13.509 -1.325 3.583 1.00 45.50 N ATOM 165 CA PRO A 13 12.255 -0.587 3.760 1.00 71.31 C ATOM 166 C PRO A 13 12.117 0.567 2.773 1.00 11.34 C ATOM 167 O PRO A 13 13.112 1.148 2.339 1.00 41.20 O ATOM 168 CB PRO A 13 12.354 -0.058 5.193 1.00 53.44 C ATOM 169 CG PRO A 13 13.816 0.021 5.467 1.00 12.04 C ATOM 170 CD PRO A 13 14.442 -1.112 4.702 1.00 4.42 C ATOM 0 HA PRO A 13 11.383 -1.217 3.583 1.00 71.31 H new ATOM 0 HB2 PRO A 13 11.880 0.919 5.288 1.00 53.44 H new ATOM 0 HB3 PRO A 13 11.855 -0.724 5.896 1.00 53.44 H new ATOM 0 HG2 PRO A 13 14.222 0.980 5.146 1.00 12.04 H new ATOM 0 HG3 PRO A 13 14.019 -0.070 6.534 1.00 12.04 H new ATOM 0 HD2 PRO A 13 15.441 -0.855 4.349 1.00 4.42 H new ATOM 0 HD3 PRO A 13 14.542 -2.006 5.318 1.00 4.42 H new ATOM 178 N HIS A 14 10.877 0.896 2.424 1.00 63.15 N ATOM 179 CA HIS A 14 10.609 1.983 1.488 1.00 25.24 C ATOM 180 C HIS A 14 9.400 2.798 1.935 1.00 1.54 C ATOM 181 O HIS A 14 8.770 2.491 2.948 1.00 60.05 O ATOM 182 CB HIS A 14 10.374 1.428 0.083 1.00 2.41 C ATOM 183 CG HIS A 14 11.589 0.794 -0.521 1.00 74.45 C ATOM 184 ND1 HIS A 14 11.897 -0.541 -0.364 1.00 64.02 N ATOM 185 CD2 HIS A 14 12.573 1.318 -1.289 1.00 14.12 C ATOM 186 CE1 HIS A 14 13.020 -0.810 -1.007 1.00 53.32 C ATOM 187 NE2 HIS A 14 13.450 0.302 -1.577 1.00 74.42 N ATOM 0 H HIS A 14 10.042 0.426 2.775 1.00 63.15 H new ATOM 0 HA HIS A 14 11.480 2.638 1.470 1.00 25.24 H new ATOM 0 HB2 HIS A 14 9.571 0.692 0.122 1.00 2.41 H new ATOM 0 HB3 HIS A 14 10.035 2.236 -0.566 1.00 2.41 H new ATOM 0 HD1 HIS A 14 11.345 -1.215 0.166 1.00 64.02 H new ATOM 0 HD2 HIS A 14 12.653 2.345 -1.615 1.00 14.12 H new ATOM 0 HE1 HIS A 14 13.504 -1.774 -1.058 1.00 53.32 H new ATOM 195 N LYS A 15 9.081 3.840 1.175 1.00 44.31 N ATOM 196 CA LYS A 15 7.948 4.701 1.491 1.00 34.22 C ATOM 197 C LYS A 15 6.762 4.395 0.581 1.00 1.23 C ATOM 198 O LYS A 15 5.842 5.203 0.453 1.00 50.02 O ATOM 199 CB LYS A 15 8.344 6.173 1.353 1.00 31.54 C ATOM 200 CG LYS A 15 9.057 6.491 0.051 1.00 52.05 C ATOM 201 CD LYS A 15 10.506 6.880 0.289 1.00 42.23 C ATOM 202 CE LYS A 15 11.293 6.923 -1.013 1.00 14.45 C ATOM 203 NZ LYS A 15 11.456 5.568 -1.607 1.00 71.03 N ATOM 0 H LYS A 15 9.592 4.109 0.334 1.00 44.31 H new ATOM 0 HA LYS A 15 7.653 4.506 2.522 1.00 34.22 H new ATOM 0 HB2 LYS A 15 7.449 6.790 1.427 1.00 31.54 H new ATOM 0 HB3 LYS A 15 8.990 6.447 2.187 1.00 31.54 H new ATOM 0 HG2 LYS A 15 9.016 5.624 -0.608 1.00 52.05 H new ATOM 0 HG3 LYS A 15 8.540 7.304 -0.459 1.00 52.05 H new ATOM 0 HD2 LYS A 15 10.547 7.856 0.773 1.00 42.23 H new ATOM 0 HD3 LYS A 15 10.968 6.166 0.971 1.00 42.23 H new ATOM 0 HE2 LYS A 15 10.783 7.572 -1.724 1.00 14.45 H new ATOM 0 HE3 LYS A 15 12.275 7.360 -0.830 1.00 14.45 H new ATOM 0 HZ1 LYS A 15 12.230 5.584 -2.301 1.00 71.03 H new ATOM 0 HZ2 LYS A 15 11.678 4.884 -0.856 1.00 71.03 H new ATOM 0 HZ3 LYS A 15 10.573 5.288 -2.080 1.00 71.03 H new ATOM 217 N ARG A 16 6.790 3.224 -0.047 1.00 3.25 N ATOM 218 CA ARG A 16 5.718 2.813 -0.944 1.00 34.50 C ATOM 219 C ARG A 16 5.411 1.327 -0.779 1.00 34.03 C ATOM 220 O ARG A 16 6.306 0.486 -0.854 1.00 44.02 O ATOM 221 CB ARG A 16 6.098 3.107 -2.396 1.00 55.32 C ATOM 222 CG ARG A 16 6.607 4.522 -2.617 1.00 51.14 C ATOM 223 CD ARG A 16 7.089 4.724 -4.045 1.00 65.43 C ATOM 224 NE ARG A 16 8.020 3.678 -4.462 1.00 33.55 N ATOM 225 CZ ARG A 16 8.391 3.483 -5.722 1.00 4.50 C ATOM 226 NH1 ARG A 16 7.915 4.261 -6.684 1.00 74.03 N ATOM 227 NH2 ARG A 16 9.242 2.510 -6.022 1.00 1.32 N ATOM 0 H ARG A 16 7.544 2.544 0.049 1.00 3.25 H new ATOM 0 HA ARG A 16 4.825 3.382 -0.687 1.00 34.50 H new ATOM 0 HB2 ARG A 16 6.865 2.400 -2.712 1.00 55.32 H new ATOM 0 HB3 ARG A 16 5.229 2.939 -3.032 1.00 55.32 H new ATOM 0 HG2 ARG A 16 5.812 5.234 -2.396 1.00 51.14 H new ATOM 0 HG3 ARG A 16 7.422 4.729 -1.924 1.00 51.14 H new ATOM 0 HD2 ARG A 16 6.232 4.736 -4.718 1.00 65.43 H new ATOM 0 HD3 ARG A 16 7.575 5.696 -4.130 1.00 65.43 H new ATOM 0 HE ARG A 16 8.406 3.063 -3.745 1.00 33.55 H new ATOM 0 HH11 ARG A 16 7.262 5.011 -6.457 1.00 74.03 H new ATOM 0 HH12 ARG A 16 8.201 4.109 -7.651 1.00 74.03 H new ATOM 0 HH21 ARG A 16 9.612 1.911 -5.284 1.00 1.32 H new ATOM 0 HH22 ARG A 16 9.526 2.361 -6.990 1.00 1.32 H new ATOM 241 N TRP A 17 4.140 1.013 -0.553 1.00 23.43 N ATOM 242 CA TRP A 17 3.715 -0.372 -0.376 1.00 45.51 C ATOM 243 C TRP A 17 2.273 -0.561 -0.833 1.00 1.44 C ATOM 244 O TRP A 17 1.410 0.272 -0.555 1.00 74.22 O ATOM 245 CB TRP A 17 3.859 -0.788 1.089 1.00 54.52 C ATOM 246 CG TRP A 17 5.282 -0.982 1.515 1.00 44.13 C ATOM 247 CD1 TRP A 17 6.084 -0.067 2.136 1.00 21.51 C ATOM 248 CD2 TRP A 17 6.073 -2.164 1.348 1.00 32.15 C ATOM 249 NE1 TRP A 17 7.325 -0.610 2.366 1.00 24.12 N ATOM 250 CE2 TRP A 17 7.344 -1.895 1.893 1.00 32.42 C ATOM 251 CE3 TRP A 17 5.830 -3.424 0.795 1.00 41.14 C ATOM 252 CZ2 TRP A 17 8.366 -2.840 1.898 1.00 62.43 C ATOM 253 CZ3 TRP A 17 6.846 -4.361 0.800 1.00 40.44 C ATOM 254 CH2 TRP A 17 8.101 -4.066 1.349 1.00 50.53 C ATOM 0 H TRP A 17 3.386 1.697 -0.488 1.00 23.43 H new ATOM 0 HA TRP A 17 4.356 -1.005 -0.990 1.00 45.51 H new ATOM 0 HB2 TRP A 17 3.398 -0.029 1.721 1.00 54.52 H new ATOM 0 HB3 TRP A 17 3.309 -1.715 1.252 1.00 54.52 H new ATOM 0 HD1 TRP A 17 5.786 0.935 2.406 1.00 21.51 H new ATOM 0 HE1 TRP A 17 8.106 -0.133 2.816 1.00 24.12 H new ATOM 0 HE3 TRP A 17 4.865 -3.661 0.371 1.00 41.14 H new ATOM 0 HZ2 TRP A 17 9.334 -2.614 2.320 1.00 62.43 H new ATOM 0 HZ3 TRP A 17 6.670 -5.337 0.373 1.00 40.44 H new ATOM 0 HH2 TRP A 17 8.874 -4.820 1.339 1.00 50.53 H new ATOM 265 N VAL A 18 2.018 -1.661 -1.534 1.00 42.41 N ATOM 266 CA VAL A 18 0.679 -1.959 -2.028 1.00 22.32 C ATOM 267 C VAL A 18 0.089 -3.171 -1.316 1.00 35.03 C ATOM 268 O VAL A 18 0.813 -3.967 -0.718 1.00 34.22 O ATOM 269 CB VAL A 18 0.686 -2.222 -3.545 1.00 64.54 C ATOM 270 CG1 VAL A 18 1.206 -1.006 -4.296 1.00 64.00 C ATOM 271 CG2 VAL A 18 1.519 -3.454 -3.868 1.00 74.32 C ATOM 0 H VAL A 18 2.721 -2.360 -1.773 1.00 42.41 H new ATOM 0 HA VAL A 18 0.063 -1.084 -1.822 1.00 22.32 H new ATOM 0 HB VAL A 18 -0.338 -2.408 -3.868 1.00 64.54 H new ATOM 0 HG11 VAL A 18 1.204 -1.211 -5.367 1.00 64.00 H new ATOM 0 HG12 VAL A 18 0.565 -0.149 -4.089 1.00 64.00 H new ATOM 0 HG13 VAL A 18 2.223 -0.785 -3.971 1.00 64.00 H new ATOM 0 HG21 VAL A 18 1.513 -3.625 -4.944 1.00 74.32 H new ATOM 0 HG22 VAL A 18 2.544 -3.299 -3.531 1.00 74.32 H new ATOM 0 HG23 VAL A 18 1.097 -4.322 -3.360 1.00 74.32 H new ATOM 281 N PHE A 19 -1.232 -3.305 -1.384 1.00 62.22 N ATOM 282 CA PHE A 19 -1.921 -4.420 -0.746 1.00 31.35 C ATOM 283 C PHE A 19 -2.968 -5.020 -1.680 1.00 43.11 C ATOM 284 O PHE A 19 -3.611 -4.306 -2.451 1.00 33.55 O ATOM 285 CB PHE A 19 -2.585 -3.960 0.554 1.00 71.11 C ATOM 286 CG PHE A 19 -3.433 -2.731 0.391 1.00 31.12 C ATOM 287 CD1 PHE A 19 -2.856 -1.472 0.379 1.00 41.41 C ATOM 288 CD2 PHE A 19 -4.808 -2.835 0.251 1.00 23.41 C ATOM 289 CE1 PHE A 19 -3.633 -0.339 0.229 1.00 53.41 C ATOM 290 CE2 PHE A 19 -5.590 -1.706 0.100 1.00 31.14 C ATOM 291 CZ PHE A 19 -5.002 -0.456 0.091 1.00 74.14 C ATOM 0 H PHE A 19 -1.846 -2.655 -1.875 1.00 62.22 H new ATOM 0 HA PHE A 19 -1.182 -5.188 -0.517 1.00 31.35 H new ATOM 0 HB2 PHE A 19 -3.203 -4.769 0.943 1.00 71.11 H new ATOM 0 HB3 PHE A 19 -1.813 -3.763 1.297 1.00 71.11 H new ATOM 0 HD1 PHE A 19 -1.786 -1.374 0.488 1.00 41.41 H new ATOM 0 HD2 PHE A 19 -5.273 -3.810 0.260 1.00 23.41 H new ATOM 0 HE1 PHE A 19 -3.170 0.637 0.220 1.00 53.41 H new ATOM 0 HE2 PHE A 19 -6.660 -1.801 -0.011 1.00 31.14 H new ATOM 0 HZ PHE A 19 -5.612 0.428 -0.024 1.00 74.14 H new ATOM 301 N THR A 20 -3.133 -6.337 -1.607 1.00 64.10 N ATOM 302 CA THR A 20 -4.099 -7.034 -2.446 1.00 62.15 C ATOM 303 C THR A 20 -4.650 -8.269 -1.742 1.00 3.51 C ATOM 304 O THR A 20 -3.892 -9.105 -1.249 1.00 4.34 O ATOM 305 CB THR A 20 -3.473 -7.459 -3.788 1.00 74.34 C ATOM 306 OG1 THR A 20 -2.464 -8.451 -3.567 1.00 15.25 O ATOM 307 CG2 THR A 20 -2.867 -6.263 -4.506 1.00 2.11 C ATOM 0 H THR A 20 -2.609 -6.942 -0.975 1.00 64.10 H new ATOM 0 HA THR A 20 -4.913 -6.335 -2.638 1.00 62.15 H new ATOM 0 HB THR A 20 -4.261 -7.877 -4.414 1.00 74.34 H new ATOM 0 HG1 THR A 20 -2.595 -8.861 -2.687 1.00 15.25 H new ATOM 0 HG21 THR A 20 -2.431 -6.588 -5.451 1.00 2.11 H new ATOM 0 HG22 THR A 20 -3.644 -5.523 -4.700 1.00 2.11 H new ATOM 0 HG23 THR A 20 -2.091 -5.819 -3.882 1.00 2.11 H new ATOM 315 N LEU A 21 -5.973 -8.378 -1.698 1.00 41.33 N ATOM 316 CA LEU A 21 -6.626 -9.512 -1.054 1.00 52.10 C ATOM 317 C LEU A 21 -7.838 -9.971 -1.858 1.00 71.24 C ATOM 318 O LEU A 21 -8.621 -9.154 -2.341 1.00 20.02 O ATOM 319 CB LEU A 21 -7.054 -9.140 0.367 1.00 40.23 C ATOM 320 CG LEU A 21 -7.624 -10.277 1.215 1.00 12.45 C ATOM 321 CD1 LEU A 21 -6.617 -10.714 2.268 1.00 71.24 C ATOM 322 CD2 LEU A 21 -8.930 -9.850 1.869 1.00 35.55 C ATOM 0 H LEU A 21 -6.615 -7.695 -2.101 1.00 41.33 H new ATOM 0 HA LEU A 21 -5.911 -10.333 -1.008 1.00 52.10 H new ATOM 0 HB2 LEU A 21 -6.192 -8.722 0.887 1.00 40.23 H new ATOM 0 HB3 LEU A 21 -7.802 -8.350 0.305 1.00 40.23 H new ATOM 0 HG LEU A 21 -7.827 -11.126 0.562 1.00 12.45 H new ATOM 0 HD11 LEU A 21 -7.040 -11.524 2.862 1.00 71.24 H new ATOM 0 HD12 LEU A 21 -5.706 -11.060 1.779 1.00 71.24 H new ATOM 0 HD13 LEU A 21 -6.382 -9.872 2.918 1.00 71.24 H new ATOM 0 HD21 LEU A 21 -9.322 -10.671 2.469 1.00 35.55 H new ATOM 0 HD22 LEU A 21 -8.751 -8.986 2.509 1.00 35.55 H new ATOM 0 HD23 LEU A 21 -9.654 -9.586 1.098 1.00 35.55 H new ATOM 334 N ASN A 22 -7.987 -11.285 -1.997 1.00 1.43 N ATOM 335 CA ASN A 22 -9.105 -11.853 -2.741 1.00 42.02 C ATOM 336 C ASN A 22 -10.345 -11.964 -1.860 1.00 11.03 C ATOM 337 O ASN A 22 -10.269 -12.416 -0.718 1.00 50.30 O ATOM 338 CB ASN A 22 -8.731 -13.231 -3.290 1.00 63.24 C ATOM 339 CG ASN A 22 -8.715 -13.265 -4.806 1.00 53.35 C ATOM 340 OD1 ASN A 22 -9.765 -13.314 -5.448 1.00 41.40 O ATOM 341 ND2 ASN A 22 -7.521 -13.239 -5.387 1.00 11.34 N ATOM 0 H ASN A 22 -7.348 -11.976 -1.604 1.00 1.43 H new ATOM 0 HA ASN A 22 -9.331 -11.186 -3.573 1.00 42.02 H new ATOM 0 HB2 ASN A 22 -7.749 -13.515 -2.913 1.00 63.24 H new ATOM 0 HB3 ASN A 22 -9.441 -13.971 -2.920 1.00 63.24 H new ATOM 0 HD21 ASN A 22 -7.448 -13.260 -6.404 1.00 11.34 H new ATOM 0 HD22 ASN A 22 -6.677 -13.198 -4.816 1.00 11.34 H new ATOM 348 N ASN A 23 -11.487 -11.549 -2.399 1.00 43.20 N ATOM 349 CA ASN A 23 -12.744 -11.601 -1.662 1.00 20.52 C ATOM 350 C ASN A 23 -12.599 -10.947 -0.291 1.00 41.24 C ATOM 351 O ASN A 23 -12.694 -11.599 0.749 1.00 54.53 O ATOM 352 CB ASN A 23 -13.204 -13.052 -1.500 1.00 52.35 C ATOM 353 CG ASN A 23 -14.556 -13.157 -0.822 1.00 33.12 C ATOM 354 OD1 ASN A 23 -14.675 -13.723 0.265 1.00 12.21 O ATOM 355 ND2 ASN A 23 -15.584 -12.611 -1.462 1.00 64.21 N ATOM 0 H ASN A 23 -11.567 -11.173 -3.344 1.00 43.20 H new ATOM 0 HA ASN A 23 -13.493 -11.050 -2.231 1.00 20.52 H new ATOM 0 HB2 ASN A 23 -13.254 -13.526 -2.480 1.00 52.35 H new ATOM 0 HB3 ASN A 23 -12.465 -13.602 -0.918 1.00 52.35 H new ATOM 0 HD21 ASN A 23 -16.518 -12.651 -1.054 1.00 64.21 H new ATOM 0 HD22 ASN A 23 -15.439 -12.152 -2.361 1.00 64.21 H new ATOM 362 N PRO A 24 -12.363 -9.626 -0.289 1.00 20.45 N ATOM 363 CA PRO A 24 -12.201 -8.854 0.947 1.00 41.02 C ATOM 364 C PRO A 24 -13.507 -8.722 1.723 1.00 5.43 C ATOM 365 O PRO A 24 -14.584 -8.631 1.134 1.00 24.33 O ATOM 366 CB PRO A 24 -11.733 -7.484 0.450 1.00 51.14 C ATOM 367 CG PRO A 24 -12.258 -7.386 -0.941 1.00 62.23 C ATOM 368 CD PRO A 24 -12.237 -8.786 -1.491 1.00 1.31 C ATOM 0 HA PRO A 24 -11.507 -9.332 1.639 1.00 41.02 H new ATOM 0 HB2 PRO A 24 -12.121 -6.682 1.077 1.00 51.14 H new ATOM 0 HB3 PRO A 24 -10.646 -7.406 0.469 1.00 51.14 H new ATOM 0 HG2 PRO A 24 -13.269 -6.979 -0.949 1.00 62.23 H new ATOM 0 HG3 PRO A 24 -11.641 -6.720 -1.545 1.00 62.23 H new ATOM 0 HD2 PRO A 24 -13.057 -8.956 -2.188 1.00 1.31 H new ATOM 0 HD3 PRO A 24 -11.312 -8.992 -2.030 1.00 1.31 H new ATOM 376 N SER A 25 -13.403 -8.710 3.048 1.00 31.24 N ATOM 377 CA SER A 25 -14.577 -8.592 3.906 1.00 62.03 C ATOM 378 C SER A 25 -14.855 -7.131 4.247 1.00 75.42 C ATOM 379 O SER A 25 -13.964 -6.286 4.175 1.00 14.15 O ATOM 380 CB SER A 25 -14.379 -9.399 5.190 1.00 14.14 C ATOM 381 OG SER A 25 -15.353 -10.422 5.305 1.00 61.34 O ATOM 0 H SER A 25 -12.518 -8.780 3.551 1.00 31.24 H new ATOM 0 HA SER A 25 -15.435 -8.990 3.364 1.00 62.03 H new ATOM 0 HB2 SER A 25 -13.382 -9.840 5.196 1.00 14.14 H new ATOM 0 HB3 SER A 25 -14.440 -8.736 6.053 1.00 14.14 H new ATOM 0 HG SER A 25 -15.204 -10.924 6.133 1.00 61.34 H new ATOM 387 N GLU A 26 -16.099 -6.844 4.618 1.00 53.34 N ATOM 388 CA GLU A 26 -16.496 -5.485 4.969 1.00 71.20 C ATOM 389 C GLU A 26 -15.636 -4.944 6.108 1.00 61.55 C ATOM 390 O GLU A 26 -15.403 -3.740 6.205 1.00 2.43 O ATOM 391 CB GLU A 26 -17.973 -5.449 5.369 1.00 45.31 C ATOM 392 CG GLU A 26 -18.861 -4.747 4.355 1.00 24.12 C ATOM 393 CD GLU A 26 -19.984 -3.964 5.007 1.00 61.13 C ATOM 394 OE1 GLU A 26 -19.703 -2.897 5.591 1.00 22.13 O ATOM 395 OE2 GLU A 26 -21.145 -4.419 4.931 1.00 4.05 O ATOM 0 H GLU A 26 -16.848 -7.533 4.683 1.00 53.34 H new ATOM 0 HA GLU A 26 -16.348 -4.853 4.093 1.00 71.20 H new ATOM 0 HB2 GLU A 26 -18.329 -6.470 5.506 1.00 45.31 H new ATOM 0 HB3 GLU A 26 -18.068 -4.947 6.332 1.00 45.31 H new ATOM 0 HG2 GLU A 26 -18.254 -4.071 3.752 1.00 24.12 H new ATOM 0 HG3 GLU A 26 -19.285 -5.486 3.676 1.00 24.12 H new ATOM 402 N ASP A 27 -15.168 -5.844 6.966 1.00 42.22 N ATOM 403 CA ASP A 27 -14.333 -5.458 8.098 1.00 60.53 C ATOM 404 C ASP A 27 -12.912 -5.141 7.642 1.00 71.40 C ATOM 405 O ASP A 27 -12.319 -4.153 8.072 1.00 41.34 O ATOM 406 CB ASP A 27 -14.309 -6.573 9.144 1.00 33.53 C ATOM 407 CG ASP A 27 -15.393 -6.408 10.191 1.00 13.02 C ATOM 408 OD1 ASP A 27 -16.507 -6.933 9.981 1.00 61.11 O ATOM 409 OD2 ASP A 27 -15.128 -5.754 11.221 1.00 22.13 O ATOM 0 H ASP A 27 -15.352 -6.845 6.899 1.00 42.22 H new ATOM 0 HA ASP A 27 -14.761 -4.560 8.544 1.00 60.53 H new ATOM 0 HB2 ASP A 27 -14.431 -7.536 8.647 1.00 33.53 H new ATOM 0 HB3 ASP A 27 -13.335 -6.588 9.633 1.00 33.53 H new ATOM 414 N GLU A 28 -12.373 -5.988 6.770 1.00 23.15 N ATOM 415 CA GLU A 28 -11.021 -5.798 6.259 1.00 65.23 C ATOM 416 C GLU A 28 -10.909 -4.485 5.490 1.00 52.31 C ATOM 417 O GLU A 28 -9.996 -3.693 5.722 1.00 3.22 O ATOM 418 CB GLU A 28 -10.625 -6.967 5.353 1.00 12.34 C ATOM 419 CG GLU A 28 -9.349 -7.668 5.787 1.00 1.10 C ATOM 420 CD GLU A 28 -9.533 -8.485 7.051 1.00 4.22 C ATOM 421 OE1 GLU A 28 -10.580 -8.325 7.713 1.00 3.11 O ATOM 422 OE2 GLU A 28 -8.630 -9.283 7.379 1.00 73.21 O ATOM 0 H GLU A 28 -12.851 -6.811 6.404 1.00 23.15 H new ATOM 0 HA GLU A 28 -10.341 -5.760 7.110 1.00 65.23 H new ATOM 0 HB2 GLU A 28 -11.439 -7.692 5.333 1.00 12.34 H new ATOM 0 HB3 GLU A 28 -10.500 -6.600 4.334 1.00 12.34 H new ATOM 0 HG2 GLU A 28 -9.006 -8.320 4.984 1.00 1.10 H new ATOM 0 HG3 GLU A 28 -8.568 -6.925 5.950 1.00 1.10 H new ATOM 429 N ARG A 29 -11.845 -4.261 4.573 1.00 32.33 N ATOM 430 CA ARG A 29 -11.852 -3.046 3.769 1.00 41.53 C ATOM 431 C ARG A 29 -12.111 -1.819 4.639 1.00 63.11 C ATOM 432 O ARG A 29 -11.621 -0.726 4.352 1.00 33.33 O ATOM 433 CB ARG A 29 -12.915 -3.140 2.673 1.00 41.24 C ATOM 434 CG ARG A 29 -12.630 -4.217 1.639 1.00 32.31 C ATOM 435 CD ARG A 29 -13.916 -4.814 1.087 1.00 3.53 C ATOM 436 NE ARG A 29 -14.865 -3.783 0.676 1.00 2.42 N ATOM 437 CZ ARG A 29 -16.128 -4.034 0.352 1.00 53.00 C ATOM 438 NH1 ARG A 29 -16.592 -5.276 0.391 1.00 2.54 N ATOM 439 NH2 ARG A 29 -16.931 -3.042 -0.012 1.00 70.12 N ATOM 0 H ARG A 29 -12.608 -4.906 4.369 1.00 32.33 H new ATOM 0 HA ARG A 29 -10.871 -2.942 3.306 1.00 41.53 H new ATOM 0 HB2 ARG A 29 -13.883 -3.337 3.133 1.00 41.24 H new ATOM 0 HB3 ARG A 29 -12.992 -2.176 2.170 1.00 41.24 H new ATOM 0 HG2 ARG A 29 -12.045 -3.794 0.823 1.00 32.31 H new ATOM 0 HG3 ARG A 29 -12.026 -5.005 2.089 1.00 32.31 H new ATOM 0 HD2 ARG A 29 -13.683 -5.453 0.235 1.00 3.53 H new ATOM 0 HD3 ARG A 29 -14.376 -5.449 1.845 1.00 3.53 H new ATOM 0 HE ARG A 29 -14.540 -2.817 0.636 1.00 2.42 H new ATOM 0 HH11 ARG A 29 -15.978 -6.041 0.670 1.00 2.54 H new ATOM 0 HH12 ARG A 29 -17.563 -5.466 0.142 1.00 2.54 H new ATOM 0 HH21 ARG A 29 -16.578 -2.085 -0.043 1.00 70.12 H new ATOM 0 HH22 ARG A 29 -17.901 -3.236 -0.261 1.00 70.12 H new ATOM 453 N LYS A 30 -12.884 -2.008 5.703 1.00 3.31 N ATOM 454 CA LYS A 30 -13.208 -0.918 6.617 1.00 61.45 C ATOM 455 C LYS A 30 -11.981 -0.499 7.421 1.00 73.25 C ATOM 456 O LYS A 30 -11.744 0.689 7.636 1.00 4.50 O ATOM 457 CB LYS A 30 -14.333 -1.338 7.565 1.00 73.43 C ATOM 458 CG LYS A 30 -15.720 -0.986 7.056 1.00 74.31 C ATOM 459 CD LYS A 30 -15.948 0.516 7.051 1.00 42.04 C ATOM 460 CE LYS A 30 -17.387 0.863 7.401 1.00 4.22 C ATOM 461 NZ LYS A 30 -17.463 1.920 8.448 1.00 61.40 N ATOM 0 H LYS A 30 -13.298 -2.906 5.954 1.00 3.31 H new ATOM 0 HA LYS A 30 -13.540 -0.066 6.024 1.00 61.45 H new ATOM 0 HB2 LYS A 30 -14.277 -2.414 7.727 1.00 73.43 H new ATOM 0 HB3 LYS A 30 -14.178 -0.861 8.533 1.00 73.43 H new ATOM 0 HG2 LYS A 30 -15.848 -1.378 6.047 1.00 74.31 H new ATOM 0 HG3 LYS A 30 -16.471 -1.467 7.683 1.00 74.31 H new ATOM 0 HD2 LYS A 30 -15.274 0.990 7.765 1.00 42.04 H new ATOM 0 HD3 LYS A 30 -15.704 0.919 6.068 1.00 42.04 H new ATOM 0 HE2 LYS A 30 -17.907 1.201 6.505 1.00 4.22 H new ATOM 0 HE3 LYS A 30 -17.902 -0.032 7.750 1.00 4.22 H new ATOM 0 HZ1 LYS A 30 -18.460 2.129 8.659 1.00 61.40 H new ATOM 0 HZ2 LYS A 30 -16.988 1.588 9.312 1.00 61.40 H new ATOM 0 HZ3 LYS A 30 -16.994 2.783 8.105 1.00 61.40 H new ATOM 475 N LYS A 31 -11.204 -1.483 7.861 1.00 1.41 N ATOM 476 CA LYS A 31 -10.000 -1.217 8.639 1.00 43.30 C ATOM 477 C LYS A 31 -8.996 -0.404 7.827 1.00 21.22 C ATOM 478 O LYS A 31 -8.512 0.633 8.281 1.00 44.02 O ATOM 479 CB LYS A 31 -9.360 -2.531 9.093 1.00 52.14 C ATOM 480 CG LYS A 31 -7.973 -2.359 9.686 1.00 64.11 C ATOM 481 CD LYS A 31 -7.389 -3.689 10.133 1.00 1.23 C ATOM 482 CE LYS A 31 -5.911 -3.794 9.787 1.00 15.43 C ATOM 483 NZ LYS A 31 -5.070 -2.961 10.691 1.00 63.23 N ATOM 0 H LYS A 31 -11.387 -2.472 7.692 1.00 1.41 H new ATOM 0 HA LYS A 31 -10.286 -0.637 9.517 1.00 43.30 H new ATOM 0 HB2 LYS A 31 -10.006 -3.003 9.833 1.00 52.14 H new ATOM 0 HB3 LYS A 31 -9.301 -3.209 8.242 1.00 52.14 H new ATOM 0 HG2 LYS A 31 -7.315 -1.901 8.948 1.00 64.11 H new ATOM 0 HG3 LYS A 31 -8.021 -1.678 10.536 1.00 64.11 H new ATOM 0 HD2 LYS A 31 -7.521 -3.802 11.209 1.00 1.23 H new ATOM 0 HD3 LYS A 31 -7.934 -4.505 9.658 1.00 1.23 H new ATOM 0 HE2 LYS A 31 -5.595 -4.835 9.854 1.00 15.43 H new ATOM 0 HE3 LYS A 31 -5.756 -3.480 8.755 1.00 15.43 H new ATOM 0 HZ1 LYS A 31 -4.183 -2.711 10.208 1.00 63.23 H new ATOM 0 HZ2 LYS A 31 -5.584 -2.092 10.941 1.00 63.23 H new ATOM 0 HZ3 LYS A 31 -4.854 -3.497 11.556 1.00 63.23 H new ATOM 497 N ILE A 32 -8.689 -0.881 6.626 1.00 74.44 N ATOM 498 CA ILE A 32 -7.745 -0.197 5.751 1.00 75.24 C ATOM 499 C ILE A 32 -8.287 1.159 5.311 1.00 71.32 C ATOM 500 O ILE A 32 -7.550 2.143 5.252 1.00 54.30 O ATOM 501 CB ILE A 32 -7.424 -1.039 4.501 1.00 12.24 C ATOM 502 CG1 ILE A 32 -6.428 -2.147 4.849 1.00 71.04 C ATOM 503 CG2 ILE A 32 -6.875 -0.153 3.393 1.00 25.21 C ATOM 504 CD1 ILE A 32 -6.164 -3.102 3.706 1.00 70.13 C ATOM 0 H ILE A 32 -9.080 -1.739 6.236 1.00 74.44 H new ATOM 0 HA ILE A 32 -6.830 -0.051 6.326 1.00 75.24 H new ATOM 0 HB ILE A 32 -8.344 -1.502 4.146 1.00 12.24 H new ATOM 0 HG12 ILE A 32 -5.486 -1.694 5.158 1.00 71.04 H new ATOM 0 HG13 ILE A 32 -6.806 -2.710 5.702 1.00 71.04 H new ATOM 0 HG21 ILE A 32 -6.653 -0.762 2.517 1.00 25.21 H new ATOM 0 HG22 ILE A 32 -7.615 0.603 3.131 1.00 25.21 H new ATOM 0 HG23 ILE A 32 -5.963 0.335 3.736 1.00 25.21 H new ATOM 0 HD11 ILE A 32 -5.449 -3.861 4.024 1.00 70.13 H new ATOM 0 HD12 ILE A 32 -7.097 -3.583 3.411 1.00 70.13 H new ATOM 0 HD13 ILE A 32 -5.756 -2.551 2.859 1.00 70.13 H new ATOM 516 N ARG A 33 -9.580 1.202 5.004 1.00 4.45 N ATOM 517 CA ARG A 33 -10.221 2.438 4.571 1.00 64.14 C ATOM 518 C ARG A 33 -10.344 3.422 5.730 1.00 54.30 C ATOM 519 O ARG A 33 -10.485 4.627 5.522 1.00 53.53 O ATOM 520 CB ARG A 33 -11.604 2.143 3.988 1.00 31.54 C ATOM 521 CG ARG A 33 -12.420 3.391 3.694 1.00 70.41 C ATOM 522 CD ARG A 33 -13.702 3.055 2.948 1.00 63.14 C ATOM 523 NE ARG A 33 -14.838 2.901 3.852 1.00 23.44 N ATOM 524 CZ ARG A 33 -15.427 3.917 4.472 1.00 51.11 C ATOM 525 NH1 ARG A 33 -14.991 5.155 4.285 1.00 64.03 N ATOM 526 NH2 ARG A 33 -16.456 3.696 5.280 1.00 0.53 N ATOM 0 H ARG A 33 -10.203 0.396 5.047 1.00 4.45 H new ATOM 0 HA ARG A 33 -9.598 2.890 3.799 1.00 64.14 H new ATOM 0 HB2 ARG A 33 -11.486 1.571 3.068 1.00 31.54 H new ATOM 0 HB3 ARG A 33 -12.157 1.514 4.686 1.00 31.54 H new ATOM 0 HG2 ARG A 33 -12.663 3.897 4.629 1.00 70.41 H new ATOM 0 HG3 ARG A 33 -11.824 4.085 3.102 1.00 70.41 H new ATOM 0 HD2 ARG A 33 -13.918 3.842 2.226 1.00 63.14 H new ATOM 0 HD3 ARG A 33 -13.561 2.134 2.383 1.00 63.14 H new ATOM 0 HE ARG A 33 -15.199 1.961 4.016 1.00 23.44 H new ATOM 0 HH11 ARG A 33 -14.201 5.329 3.664 1.00 64.03 H new ATOM 0 HH12 ARG A 33 -15.445 5.933 4.763 1.00 64.03 H new ATOM 0 HH21 ARG A 33 -16.795 2.745 5.425 1.00 0.53 H new ATOM 0 HH22 ARG A 33 -16.908 4.477 5.756 1.00 0.53 H new ATOM 540 N ASP A 34 -10.291 2.900 6.950 1.00 14.44 N ATOM 541 CA ASP A 34 -10.397 3.733 8.143 1.00 30.22 C ATOM 542 C ASP A 34 -9.016 4.046 8.711 1.00 13.30 C ATOM 543 O ASP A 34 -8.894 4.605 9.802 1.00 51.52 O ATOM 544 CB ASP A 34 -11.252 3.036 9.203 1.00 0.40 C ATOM 545 CG ASP A 34 -12.724 3.017 8.839 1.00 45.30 C ATOM 546 OD1 ASP A 34 -13.101 3.691 7.857 1.00 20.21 O ATOM 547 OD2 ASP A 34 -13.498 2.328 9.535 1.00 4.34 O ATOM 0 H ASP A 34 -10.175 1.904 7.139 1.00 14.44 H new ATOM 0 HA ASP A 34 -10.875 4.671 7.861 1.00 30.22 H new ATOM 0 HB2 ASP A 34 -10.900 2.013 9.334 1.00 0.40 H new ATOM 0 HB3 ASP A 34 -11.124 3.542 10.160 1.00 0.40 H new ATOM 552 N LEU A 35 -7.979 3.682 7.965 1.00 30.04 N ATOM 553 CA LEU A 35 -6.606 3.923 8.395 1.00 42.33 C ATOM 554 C LEU A 35 -6.315 5.419 8.475 1.00 71.54 C ATOM 555 O LEU A 35 -7.010 6.244 7.881 1.00 65.55 O ATOM 556 CB LEU A 35 -5.624 3.252 7.432 1.00 34.04 C ATOM 557 CG LEU A 35 -5.350 1.768 7.680 1.00 13.21 C ATOM 558 CD1 LEU A 35 -4.548 1.175 6.533 1.00 71.35 C ATOM 559 CD2 LEU A 35 -4.619 1.574 9.001 1.00 53.14 C ATOM 0 H LEU A 35 -8.063 3.219 7.060 1.00 30.04 H new ATOM 0 HA LEU A 35 -6.482 3.493 9.389 1.00 42.33 H new ATOM 0 HB2 LEU A 35 -6.006 3.366 6.417 1.00 34.04 H new ATOM 0 HB3 LEU A 35 -4.676 3.789 7.478 1.00 34.04 H new ATOM 0 HG LEU A 35 -6.305 1.246 7.736 1.00 13.21 H new ATOM 0 HD11 LEU A 35 -4.362 0.119 6.727 1.00 71.35 H new ATOM 0 HD12 LEU A 35 -5.109 1.281 5.604 1.00 71.35 H new ATOM 0 HD13 LEU A 35 -3.597 1.700 6.444 1.00 71.35 H new ATOM 0 HD21 LEU A 35 -4.432 0.512 9.161 1.00 53.14 H new ATOM 0 HD22 LEU A 35 -3.670 2.109 8.974 1.00 53.14 H new ATOM 0 HD23 LEU A 35 -5.231 1.962 9.816 1.00 53.14 H new ATOM 571 N PRO A 36 -5.263 5.778 9.224 1.00 24.35 N ATOM 572 CA PRO A 36 -4.854 7.175 9.397 1.00 21.25 C ATOM 573 C PRO A 36 -4.272 7.771 8.120 1.00 23.14 C ATOM 574 O PRO A 36 -3.272 7.280 7.595 1.00 10.20 O ATOM 575 CB PRO A 36 -3.783 7.099 10.489 1.00 61.45 C ATOM 576 CG PRO A 36 -3.239 5.715 10.390 1.00 53.14 C ATOM 577 CD PRO A 36 -4.390 4.848 9.961 1.00 72.42 C ATOM 0 HA PRO A 36 -5.697 7.818 9.652 1.00 21.25 H new ATOM 0 HB2 PRO A 36 -3.003 7.843 10.331 1.00 61.45 H new ATOM 0 HB3 PRO A 36 -4.208 7.288 11.475 1.00 61.45 H new ATOM 0 HG2 PRO A 36 -2.424 5.667 9.668 1.00 53.14 H new ATOM 0 HG3 PRO A 36 -2.837 5.384 11.348 1.00 53.14 H new ATOM 0 HD2 PRO A 36 -4.058 4.023 9.330 1.00 72.42 H new ATOM 0 HD3 PRO A 36 -4.903 4.409 10.817 1.00 72.42 H new ATOM 585 N ILE A 37 -4.903 8.831 7.627 1.00 62.24 N ATOM 586 CA ILE A 37 -4.446 9.494 6.412 1.00 44.12 C ATOM 587 C ILE A 37 -3.131 10.230 6.649 1.00 70.24 C ATOM 588 O ILE A 37 -2.284 10.310 5.759 1.00 24.44 O ATOM 589 CB ILE A 37 -5.493 10.494 5.888 1.00 73.01 C ATOM 590 CG1 ILE A 37 -5.985 11.393 7.024 1.00 33.22 C ATOM 591 CG2 ILE A 37 -6.658 9.754 5.248 1.00 34.23 C ATOM 592 CD1 ILE A 37 -6.827 12.557 6.552 1.00 14.31 C ATOM 0 H ILE A 37 -5.732 9.249 8.050 1.00 62.24 H new ATOM 0 HA ILE A 37 -4.295 8.715 5.665 1.00 44.12 H new ATOM 0 HB ILE A 37 -5.026 11.122 5.129 1.00 73.01 H new ATOM 0 HG12 ILE A 37 -6.567 10.794 7.724 1.00 33.22 H new ATOM 0 HG13 ILE A 37 -5.124 11.776 7.572 1.00 33.22 H new ATOM 0 HG21 ILE A 37 -7.390 10.474 4.882 1.00 34.23 H new ATOM 0 HG22 ILE A 37 -6.294 9.152 4.415 1.00 34.23 H new ATOM 0 HG23 ILE A 37 -7.126 9.104 5.987 1.00 34.23 H new ATOM 0 HD11 ILE A 37 -7.141 13.151 7.410 1.00 14.31 H new ATOM 0 HD12 ILE A 37 -6.241 13.179 5.875 1.00 14.31 H new ATOM 0 HD13 ILE A 37 -7.707 12.181 6.030 1.00 14.31 H new ATOM 604 N SER A 38 -2.967 10.765 7.854 1.00 34.44 N ATOM 605 CA SER A 38 -1.756 11.496 8.208 1.00 34.24 C ATOM 606 C SER A 38 -0.550 10.563 8.247 1.00 71.41 C ATOM 607 O SER A 38 0.597 11.009 8.201 1.00 50.21 O ATOM 608 CB SER A 38 -1.928 12.182 9.565 1.00 40.32 C ATOM 609 OG SER A 38 -2.848 11.477 10.381 1.00 45.34 O ATOM 0 H SER A 38 -3.658 10.706 8.602 1.00 34.44 H new ATOM 0 HA SER A 38 -1.582 12.254 7.444 1.00 34.24 H new ATOM 0 HB2 SER A 38 -0.964 12.244 10.069 1.00 40.32 H new ATOM 0 HB3 SER A 38 -2.277 13.204 9.418 1.00 40.32 H new ATOM 0 HG SER A 38 -2.939 11.935 11.243 1.00 45.34 H new ATOM 615 N LEU A 39 -0.817 9.264 8.332 1.00 52.12 N ATOM 616 CA LEU A 39 0.245 8.266 8.377 1.00 64.43 C ATOM 617 C LEU A 39 0.822 8.021 6.986 1.00 50.22 C ATOM 618 O LEU A 39 1.993 7.669 6.841 1.00 52.12 O ATOM 619 CB LEU A 39 -0.284 6.954 8.959 1.00 13.24 C ATOM 620 CG LEU A 39 0.659 6.211 9.905 1.00 22.53 C ATOM 621 CD1 LEU A 39 -0.118 5.591 11.056 1.00 30.32 C ATOM 622 CD2 LEU A 39 1.439 5.144 9.151 1.00 45.03 C ATOM 0 H LEU A 39 -1.760 8.878 8.371 1.00 52.12 H new ATOM 0 HA LEU A 39 1.040 8.647 9.019 1.00 64.43 H new ATOM 0 HB2 LEU A 39 -1.211 7.164 9.493 1.00 13.24 H new ATOM 0 HB3 LEU A 39 -0.536 6.289 8.133 1.00 13.24 H new ATOM 0 HG LEU A 39 1.368 6.929 10.317 1.00 22.53 H new ATOM 0 HD11 LEU A 39 0.570 5.066 11.719 1.00 30.32 H new ATOM 0 HD12 LEU A 39 -0.631 6.375 11.613 1.00 30.32 H new ATOM 0 HD13 LEU A 39 -0.851 4.886 10.663 1.00 30.32 H new ATOM 0 HD21 LEU A 39 2.105 4.625 9.840 1.00 45.03 H new ATOM 0 HD22 LEU A 39 0.744 4.429 8.710 1.00 45.03 H new ATOM 0 HD23 LEU A 39 2.027 5.613 8.362 1.00 45.03 H new ATOM 634 N PHE A 40 -0.007 8.212 5.965 1.00 14.22 N ATOM 635 CA PHE A 40 0.420 8.014 4.585 1.00 21.33 C ATOM 636 C PHE A 40 0.151 9.260 3.748 1.00 52.52 C ATOM 637 O PHE A 40 -1.001 9.636 3.526 1.00 64.40 O ATOM 638 CB PHE A 40 -0.300 6.810 3.974 1.00 22.21 C ATOM 639 CG PHE A 40 -0.459 5.660 4.927 1.00 74.30 C ATOM 640 CD1 PHE A 40 -1.557 5.589 5.770 1.00 25.24 C ATOM 641 CD2 PHE A 40 0.487 4.649 4.979 1.00 42.31 C ATOM 642 CE1 PHE A 40 -1.705 4.532 6.649 1.00 53.14 C ATOM 643 CE2 PHE A 40 0.344 3.590 5.855 1.00 75.31 C ATOM 644 CZ PHE A 40 -0.755 3.531 6.690 1.00 22.30 C ATOM 0 H PHE A 40 -0.979 8.504 6.068 1.00 14.22 H new ATOM 0 HA PHE A 40 1.493 7.824 4.587 1.00 21.33 H new ATOM 0 HB2 PHE A 40 -1.285 7.123 3.627 1.00 22.21 H new ATOM 0 HB3 PHE A 40 0.254 6.472 3.098 1.00 22.21 H new ATOM 0 HD1 PHE A 40 -2.305 6.368 5.740 1.00 25.24 H new ATOM 0 HD2 PHE A 40 1.347 4.689 4.327 1.00 42.31 H new ATOM 0 HE1 PHE A 40 -2.563 4.489 7.303 1.00 53.14 H new ATOM 0 HE2 PHE A 40 1.090 2.810 5.887 1.00 75.31 H new ATOM 0 HZ PHE A 40 -0.871 2.703 7.374 1.00 22.30 H new ATOM 654 N ASP A 41 1.221 9.898 3.286 1.00 11.02 N ATOM 655 CA ASP A 41 1.101 11.102 2.473 1.00 45.53 C ATOM 656 C ASP A 41 0.151 10.875 1.301 1.00 13.15 C ATOM 657 O ASP A 41 -0.515 11.803 0.840 1.00 22.41 O ATOM 658 CB ASP A 41 2.475 11.532 1.955 1.00 50.03 C ATOM 659 CG ASP A 41 2.508 12.991 1.543 1.00 22.30 C ATOM 660 OD1 ASP A 41 1.724 13.373 0.650 1.00 70.43 O ATOM 661 OD2 ASP A 41 3.319 13.750 2.114 1.00 41.34 O ATOM 0 H ASP A 41 2.181 9.601 3.461 1.00 11.02 H new ATOM 0 HA ASP A 41 0.692 11.894 3.100 1.00 45.53 H new ATOM 0 HB2 ASP A 41 3.222 11.359 2.729 1.00 50.03 H new ATOM 0 HB3 ASP A 41 2.750 10.910 1.103 1.00 50.03 H new ATOM 666 N TYR A 42 0.093 9.637 0.825 1.00 62.41 N ATOM 667 CA TYR A 42 -0.773 9.288 -0.295 1.00 12.11 C ATOM 668 C TYR A 42 -1.484 7.962 -0.042 1.00 2.03 C ATOM 669 O TYR A 42 -0.846 6.942 0.221 1.00 3.53 O ATOM 670 CB TYR A 42 0.039 9.206 -1.589 1.00 34.44 C ATOM 671 CG TYR A 42 -0.786 8.826 -2.798 1.00 11.32 C ATOM 672 CD1 TYR A 42 -2.090 9.284 -2.945 1.00 30.51 C ATOM 673 CD2 TYR A 42 -0.262 8.010 -3.793 1.00 12.14 C ATOM 674 CE1 TYR A 42 -2.848 8.939 -4.048 1.00 3.15 C ATOM 675 CE2 TYR A 42 -1.012 7.662 -4.899 1.00 61.13 C ATOM 676 CZ TYR A 42 -2.304 8.129 -5.022 1.00 70.52 C ATOM 677 OH TYR A 42 -3.055 7.783 -6.122 1.00 64.35 O ATOM 0 H TYR A 42 0.636 8.858 1.197 1.00 62.41 H new ATOM 0 HA TYR A 42 -1.526 10.069 -0.396 1.00 12.11 H new ATOM 0 HB2 TYR A 42 0.514 10.170 -1.772 1.00 34.44 H new ATOM 0 HB3 TYR A 42 0.838 8.476 -1.461 1.00 34.44 H new ATOM 0 HD1 TYR A 42 -2.518 9.920 -2.185 1.00 30.51 H new ATOM 0 HD2 TYR A 42 0.749 7.642 -3.700 1.00 12.14 H new ATOM 0 HE1 TYR A 42 -3.860 9.302 -4.146 1.00 3.15 H new ATOM 0 HE2 TYR A 42 -0.589 7.027 -5.664 1.00 61.13 H new ATOM 0 HH TYR A 42 -4.006 7.907 -5.921 1.00 64.35 H new ATOM 687 N PHE A 43 -2.810 7.984 -0.124 1.00 30.14 N ATOM 688 CA PHE A 43 -3.610 6.784 0.097 1.00 45.44 C ATOM 689 C PHE A 43 -4.669 6.630 -0.990 1.00 71.25 C ATOM 690 O PHE A 43 -5.573 7.457 -1.113 1.00 33.24 O ATOM 691 CB PHE A 43 -4.278 6.837 1.472 1.00 23.41 C ATOM 692 CG PHE A 43 -4.353 5.500 2.153 1.00 72.11 C ATOM 693 CD1 PHE A 43 -4.342 4.329 1.413 1.00 71.25 C ATOM 694 CD2 PHE A 43 -4.436 5.415 3.533 1.00 21.54 C ATOM 695 CE1 PHE A 43 -4.411 3.097 2.036 1.00 51.11 C ATOM 696 CE2 PHE A 43 -4.505 4.186 4.162 1.00 24.33 C ATOM 697 CZ PHE A 43 -4.494 3.026 3.413 1.00 65.34 C ATOM 0 H PHE A 43 -3.354 8.819 -0.342 1.00 30.14 H new ATOM 0 HA PHE A 43 -2.945 5.921 0.057 1.00 45.44 H new ATOM 0 HB2 PHE A 43 -3.727 7.530 2.108 1.00 23.41 H new ATOM 0 HB3 PHE A 43 -5.286 7.237 1.362 1.00 23.41 H new ATOM 0 HD1 PHE A 43 -4.279 4.379 0.336 1.00 71.25 H new ATOM 0 HD2 PHE A 43 -4.447 6.319 4.124 1.00 21.54 H new ATOM 0 HE1 PHE A 43 -4.400 2.192 1.447 1.00 51.11 H new ATOM 0 HE2 PHE A 43 -4.567 4.133 5.239 1.00 24.33 H new ATOM 0 HZ PHE A 43 -4.550 2.065 3.903 1.00 65.34 H new ATOM 707 N ILE A 44 -4.550 5.566 -1.778 1.00 23.05 N ATOM 708 CA ILE A 44 -5.497 5.302 -2.854 1.00 2.52 C ATOM 709 C ILE A 44 -5.878 3.827 -2.901 1.00 71.25 C ATOM 710 O ILE A 44 -5.031 2.962 -3.126 1.00 3.41 O ATOM 711 CB ILE A 44 -4.924 5.718 -4.222 1.00 31.42 C ATOM 712 CG1 ILE A 44 -5.783 5.148 -5.353 1.00 12.52 C ATOM 713 CG2 ILE A 44 -3.483 5.249 -4.357 1.00 1.21 C ATOM 714 CD1 ILE A 44 -5.939 6.091 -6.526 1.00 31.41 C ATOM 0 H ILE A 44 -3.807 4.873 -1.691 1.00 23.05 H new ATOM 0 HA ILE A 44 -6.386 5.897 -2.646 1.00 2.52 H new ATOM 0 HB ILE A 44 -4.940 6.806 -4.291 1.00 31.42 H new ATOM 0 HG12 ILE A 44 -5.338 4.216 -5.703 1.00 12.52 H new ATOM 0 HG13 ILE A 44 -6.770 4.902 -4.961 1.00 12.52 H new ATOM 0 HG21 ILE A 44 -3.092 5.550 -5.329 1.00 1.21 H new ATOM 0 HG22 ILE A 44 -2.879 5.697 -3.568 1.00 1.21 H new ATOM 0 HG23 ILE A 44 -3.444 4.163 -4.271 1.00 1.21 H new ATOM 0 HD11 ILE A 44 -6.559 5.622 -7.290 1.00 31.41 H new ATOM 0 HD12 ILE A 44 -6.412 7.014 -6.190 1.00 31.41 H new ATOM 0 HD13 ILE A 44 -4.958 6.317 -6.944 1.00 31.41 H new ATOM 726 N VAL A 45 -7.160 3.545 -2.690 1.00 40.35 N ATOM 727 CA VAL A 45 -7.655 2.174 -2.712 1.00 52.13 C ATOM 728 C VAL A 45 -8.745 2.000 -3.764 1.00 62.03 C ATOM 729 O VAL A 45 -9.591 2.874 -3.947 1.00 33.31 O ATOM 730 CB VAL A 45 -8.212 1.757 -1.338 1.00 71.43 C ATOM 731 CG1 VAL A 45 -8.286 0.241 -1.230 1.00 53.21 C ATOM 732 CG2 VAL A 45 -7.361 2.338 -0.220 1.00 3.13 C ATOM 0 H VAL A 45 -7.874 4.248 -2.502 1.00 40.35 H new ATOM 0 HA VAL A 45 -6.808 1.535 -2.962 1.00 52.13 H new ATOM 0 HB VAL A 45 -9.222 2.154 -1.239 1.00 71.43 H new ATOM 0 HG11 VAL A 45 -8.682 -0.035 -0.253 1.00 53.21 H new ATOM 0 HG12 VAL A 45 -8.941 -0.148 -2.010 1.00 53.21 H new ATOM 0 HG13 VAL A 45 -7.288 -0.181 -1.350 1.00 53.21 H new ATOM 0 HG21 VAL A 45 -7.769 2.033 0.744 1.00 3.13 H new ATOM 0 HG22 VAL A 45 -6.339 1.972 -0.313 1.00 3.13 H new ATOM 0 HG23 VAL A 45 -7.365 3.426 -0.288 1.00 3.13 H new ATOM 742 N GLY A 46 -8.717 0.864 -4.455 1.00 34.24 N ATOM 743 CA GLY A 46 -9.708 0.595 -5.480 1.00 72.12 C ATOM 744 C GLY A 46 -10.335 -0.778 -5.335 1.00 51.41 C ATOM 745 O GLY A 46 -9.633 -1.770 -5.145 1.00 61.15 O ATOM 0 H GLY A 46 -8.026 0.126 -4.323 1.00 34.24 H new ATOM 0 HA2 GLY A 46 -10.489 1.354 -5.434 1.00 72.12 H new ATOM 0 HA3 GLY A 46 -9.242 0.676 -6.462 1.00 72.12 H new ATOM 749 N GLU A 47 -11.660 -0.834 -5.423 1.00 14.42 N ATOM 750 CA GLU A 47 -12.381 -2.095 -5.297 1.00 61.02 C ATOM 751 C GLU A 47 -12.653 -2.705 -6.669 1.00 64.32 C ATOM 752 O GLU A 47 -13.144 -2.031 -7.573 1.00 52.41 O ATOM 753 CB GLU A 47 -13.700 -1.882 -4.551 1.00 61.52 C ATOM 754 CG GLU A 47 -14.420 -3.176 -4.208 1.00 53.51 C ATOM 755 CD GLU A 47 -13.848 -3.854 -2.979 1.00 25.01 C ATOM 756 OE1 GLU A 47 -13.094 -3.193 -2.234 1.00 14.43 O ATOM 757 OE2 GLU A 47 -14.152 -5.045 -2.762 1.00 63.51 O ATOM 0 H GLU A 47 -12.256 -0.021 -5.581 1.00 14.42 H new ATOM 0 HA GLU A 47 -11.758 -2.785 -4.728 1.00 61.02 H new ATOM 0 HB2 GLU A 47 -13.503 -1.331 -3.632 1.00 61.52 H new ATOM 0 HB3 GLU A 47 -14.357 -1.261 -5.161 1.00 61.52 H new ATOM 0 HG2 GLU A 47 -15.477 -2.967 -4.044 1.00 53.51 H new ATOM 0 HG3 GLU A 47 -14.358 -3.858 -5.056 1.00 53.51 H new ATOM 875 N PRO A 56 -15.409 -10.227 -5.492 1.00 24.22 N ATOM 876 CA PRO A 56 -14.735 -8.941 -5.290 1.00 53.20 C ATOM 877 C PRO A 56 -13.277 -9.108 -4.877 1.00 30.32 C ATOM 878 O PRO A 56 -12.913 -10.092 -4.232 1.00 31.30 O ATOM 879 CB PRO A 56 -15.540 -8.293 -4.161 1.00 0.43 C ATOM 880 CG PRO A 56 -16.143 -9.436 -3.421 1.00 30.25 C ATOM 881 CD PRO A 56 -16.412 -10.500 -4.449 1.00 51.52 C ATOM 0 HA PRO A 56 -14.704 -8.349 -6.205 1.00 53.20 H new ATOM 0 HB2 PRO A 56 -14.901 -7.695 -3.512 1.00 0.43 H new ATOM 0 HB3 PRO A 56 -16.308 -7.627 -4.554 1.00 0.43 H new ATOM 0 HG2 PRO A 56 -15.466 -9.802 -2.649 1.00 30.25 H new ATOM 0 HG3 PRO A 56 -17.064 -9.135 -2.921 1.00 30.25 H new ATOM 0 HD2 PRO A 56 -16.296 -11.500 -4.032 1.00 51.52 H new ATOM 0 HD3 PRO A 56 -17.427 -10.433 -4.840 1.00 51.52 H new ATOM 889 N HIS A 57 -12.446 -8.141 -5.252 1.00 23.14 N ATOM 890 CA HIS A 57 -11.026 -8.181 -4.919 1.00 32.55 C ATOM 891 C HIS A 57 -10.519 -6.795 -4.532 1.00 71.34 C ATOM 892 O HIS A 57 -10.878 -5.796 -5.156 1.00 42.52 O ATOM 893 CB HIS A 57 -10.219 -8.722 -6.099 1.00 61.11 C ATOM 894 CG HIS A 57 -8.741 -8.527 -5.953 1.00 70.15 C ATOM 895 ND1 HIS A 57 -8.027 -7.606 -6.691 1.00 32.20 N ATOM 896 CD2 HIS A 57 -7.842 -9.140 -5.148 1.00 13.32 C ATOM 897 CE1 HIS A 57 -6.753 -7.662 -6.347 1.00 30.25 C ATOM 898 NE2 HIS A 57 -6.614 -8.585 -5.411 1.00 53.44 N ATOM 0 H HIS A 57 -12.731 -7.320 -5.786 1.00 23.14 H new ATOM 0 HA HIS A 57 -10.897 -8.846 -4.065 1.00 32.55 H new ATOM 0 HB2 HIS A 57 -10.427 -9.786 -6.214 1.00 61.11 H new ATOM 0 HB3 HIS A 57 -10.553 -8.231 -7.013 1.00 61.11 H new ATOM 0 HD1 HIS A 57 -8.421 -6.980 -7.393 1.00 32.20 H new ATOM 0 HD2 HIS A 57 -8.052 -9.921 -4.432 1.00 13.32 H new ATOM 0 HE1 HIS A 57 -5.960 -7.057 -6.760 1.00 30.25 H new ATOM 906 N LEU A 58 -9.684 -6.742 -3.501 1.00 32.44 N ATOM 907 CA LEU A 58 -9.128 -5.478 -3.030 1.00 70.44 C ATOM 908 C LEU A 58 -7.764 -5.215 -3.661 1.00 73.31 C ATOM 909 O LEU A 58 -6.917 -6.106 -3.723 1.00 10.40 O ATOM 910 CB LEU A 58 -9.004 -5.489 -1.506 1.00 0.22 C ATOM 911 CG LEU A 58 -9.539 -4.253 -0.780 1.00 65.44 C ATOM 912 CD1 LEU A 58 -9.221 -4.327 0.705 1.00 64.31 C ATOM 913 CD2 LEU A 58 -8.959 -2.985 -1.389 1.00 41.13 C ATOM 0 H LEU A 58 -9.377 -7.560 -2.975 1.00 32.44 H new ATOM 0 HA LEU A 58 -9.806 -4.678 -3.327 1.00 70.44 H new ATOM 0 HB2 LEU A 58 -9.529 -6.365 -1.125 1.00 0.22 H new ATOM 0 HB3 LEU A 58 -7.952 -5.610 -1.248 1.00 0.22 H new ATOM 0 HG LEU A 58 -10.622 -4.226 -0.897 1.00 65.44 H new ATOM 0 HD11 LEU A 58 -9.609 -3.440 1.205 1.00 64.31 H new ATOM 0 HD12 LEU A 58 -9.684 -5.216 1.132 1.00 64.31 H new ATOM 0 HD13 LEU A 58 -8.141 -4.378 0.844 1.00 64.31 H new ATOM 0 HD21 LEU A 58 -9.350 -2.116 -0.861 1.00 41.13 H new ATOM 0 HD22 LEU A 58 -7.873 -3.004 -1.302 1.00 41.13 H new ATOM 0 HD23 LEU A 58 -9.238 -2.926 -2.441 1.00 41.13 H new ATOM 925 N GLN A 59 -7.560 -3.987 -4.126 1.00 10.13 N ATOM 926 CA GLN A 59 -6.298 -3.607 -4.750 1.00 53.11 C ATOM 927 C GLN A 59 -6.077 -2.101 -4.658 1.00 11.24 C ATOM 928 O GLN A 59 -6.791 -1.319 -5.284 1.00 44.24 O ATOM 929 CB GLN A 59 -6.276 -4.049 -6.214 1.00 53.44 C ATOM 930 CG GLN A 59 -5.124 -3.458 -7.011 1.00 0.12 C ATOM 931 CD GLN A 59 -3.771 -3.937 -6.523 1.00 11.15 C ATOM 932 OE1 GLN A 59 -3.223 -3.250 -5.527 1.00 3.24 O flip ATOM 933 NE2 GLN A 59 -3.224 -4.914 -7.035 1.00 14.30 N flip ATOM 0 H GLN A 59 -8.252 -3.239 -4.083 1.00 10.13 H new ATOM 0 HA GLN A 59 -5.491 -4.107 -4.214 1.00 53.11 H new ATOM 0 HB2 GLN A 59 -6.215 -5.137 -6.256 1.00 53.44 H new ATOM 0 HB3 GLN A 59 -7.217 -3.764 -6.685 1.00 53.44 H new ATOM 0 HG2 GLN A 59 -5.241 -3.722 -8.062 1.00 0.12 H new ATOM 0 HG3 GLN A 59 -5.164 -2.371 -6.949 1.00 0.12 H new ATOM 0 HE21 GLN A 59 -3.681 -5.413 -7.798 1.00 14.30 H new ATOM 0 HE22 GLN A 59 -2.314 -5.225 -6.696 1.00 14.30 H new ATOM 942 N GLY A 60 -5.083 -1.701 -3.870 1.00 41.35 N ATOM 943 CA GLY A 60 -4.786 -0.289 -3.710 1.00 22.31 C ATOM 944 C GLY A 60 -3.329 -0.038 -3.374 1.00 13.14 C ATOM 945 O GLY A 60 -2.564 -0.977 -3.156 1.00 22.32 O ATOM 0 H GLY A 60 -4.479 -2.329 -3.340 1.00 41.35 H new ATOM 0 HA2 GLY A 60 -5.040 0.239 -4.629 1.00 22.31 H new ATOM 0 HA3 GLY A 60 -5.414 0.124 -2.921 1.00 22.31 H new ATOM 949 N PHE A 61 -2.944 1.233 -3.333 1.00 10.25 N ATOM 950 CA PHE A 61 -1.568 1.606 -3.023 1.00 75.51 C ATOM 951 C PHE A 61 -1.527 2.690 -1.950 1.00 63.41 C ATOM 952 O PHE A 61 -2.343 3.610 -1.950 1.00 54.15 O ATOM 953 CB PHE A 61 -0.854 2.093 -4.285 1.00 4.21 C ATOM 954 CG PHE A 61 0.437 2.809 -4.004 1.00 55.41 C ATOM 955 CD1 PHE A 61 1.444 2.192 -3.280 1.00 35.22 C ATOM 956 CD2 PHE A 61 0.642 4.100 -4.465 1.00 25.32 C ATOM 957 CE1 PHE A 61 2.631 2.849 -3.019 1.00 61.04 C ATOM 958 CE2 PHE A 61 1.828 4.762 -4.208 1.00 23.32 C ATOM 959 CZ PHE A 61 2.824 4.135 -3.485 1.00 23.00 C ATOM 0 H PHE A 61 -3.565 2.022 -3.510 1.00 10.25 H new ATOM 0 HA PHE A 61 -1.055 0.723 -2.641 1.00 75.51 H new ATOM 0 HB2 PHE A 61 -0.653 1.239 -4.932 1.00 4.21 H new ATOM 0 HB3 PHE A 61 -1.518 2.760 -4.834 1.00 4.21 H new ATOM 0 HD1 PHE A 61 1.300 1.186 -2.915 1.00 35.22 H new ATOM 0 HD2 PHE A 61 -0.134 4.594 -5.031 1.00 25.32 H new ATOM 0 HE1 PHE A 61 3.407 2.358 -2.451 1.00 61.04 H new ATOM 0 HE2 PHE A 61 1.976 5.768 -4.572 1.00 23.32 H new ATOM 0 HZ PHE A 61 3.752 4.649 -3.284 1.00 23.00 H new ATOM 969 N ALA A 62 -0.569 2.572 -1.036 1.00 11.30 N ATOM 970 CA ALA A 62 -0.419 3.542 0.042 1.00 50.01 C ATOM 971 C ALA A 62 1.041 3.946 0.217 1.00 12.33 C ATOM 972 O ALA A 62 1.913 3.097 0.391 1.00 22.35 O ATOM 973 CB ALA A 62 -0.972 2.976 1.342 1.00 41.24 C ATOM 0 H ALA A 62 0.114 1.815 -1.021 1.00 11.30 H new ATOM 0 HA ALA A 62 -0.986 4.434 -0.223 1.00 50.01 H new ATOM 0 HB1 ALA A 62 -0.853 3.711 2.138 1.00 41.24 H new ATOM 0 HB2 ALA A 62 -2.030 2.744 1.217 1.00 41.24 H new ATOM 0 HB3 ALA A 62 -0.430 2.067 1.603 1.00 41.24 H new ATOM 979 N ASN A 63 1.299 5.249 0.169 1.00 0.24 N ATOM 980 CA ASN A 63 2.654 5.766 0.322 1.00 63.11 C ATOM 981 C ASN A 63 2.958 6.072 1.785 1.00 3.13 C ATOM 982 O ASN A 63 2.365 6.973 2.378 1.00 11.24 O ATOM 983 CB ASN A 63 2.840 7.027 -0.524 1.00 13.31 C ATOM 984 CG ASN A 63 4.275 7.518 -0.523 1.00 54.04 C ATOM 985 OD1 ASN A 63 4.906 7.623 0.528 1.00 22.51 O ATOM 986 ND2 ASN A 63 4.796 7.822 -1.706 1.00 41.12 N ATOM 0 H ASN A 63 0.588 5.966 0.025 1.00 0.24 H new ATOM 0 HA ASN A 63 3.349 5.000 -0.022 1.00 63.11 H new ATOM 0 HB2 ASN A 63 2.530 6.823 -1.549 1.00 13.31 H new ATOM 0 HB3 ASN A 63 2.189 7.815 -0.145 1.00 13.31 H new ATOM 0 HD21 ASN A 63 5.757 8.158 -1.769 1.00 41.12 H new ATOM 0 HD22 ASN A 63 4.235 7.719 -2.552 1.00 41.12 H new ATOM 993 N PHE A 64 3.887 5.316 2.362 1.00 41.44 N ATOM 994 CA PHE A 64 4.270 5.506 3.756 1.00 43.32 C ATOM 995 C PHE A 64 5.058 6.801 3.932 1.00 41.22 C ATOM 996 O PHE A 64 6.032 7.050 3.221 1.00 53.43 O ATOM 997 CB PHE A 64 5.103 4.319 4.244 1.00 10.21 C ATOM 998 CG PHE A 64 4.411 3.491 5.289 1.00 40.02 C ATOM 999 CD1 PHE A 64 4.241 3.976 6.576 1.00 64.13 C ATOM 1000 CD2 PHE A 64 3.930 2.228 4.984 1.00 52.01 C ATOM 1001 CE1 PHE A 64 3.606 3.215 7.539 1.00 52.50 C ATOM 1002 CE2 PHE A 64 3.293 1.463 5.943 1.00 11.20 C ATOM 1003 CZ PHE A 64 3.130 1.958 7.222 1.00 52.10 C ATOM 0 H PHE A 64 4.388 4.566 1.885 1.00 41.44 H new ATOM 0 HA PHE A 64 3.359 5.572 4.351 1.00 43.32 H new ATOM 0 HB2 PHE A 64 5.350 3.684 3.393 1.00 10.21 H new ATOM 0 HB3 PHE A 64 6.045 4.688 4.649 1.00 10.21 H new ATOM 0 HD1 PHE A 64 4.609 4.959 6.829 1.00 64.13 H new ATOM 0 HD2 PHE A 64 4.054 1.837 3.985 1.00 52.01 H new ATOM 0 HE1 PHE A 64 3.482 3.603 8.539 1.00 52.50 H new ATOM 0 HE2 PHE A 64 2.923 0.480 5.692 1.00 11.20 H new ATOM 0 HZ PHE A 64 2.631 1.363 7.973 1.00 52.10 H new ATOM 1013 N VAL A 65 4.629 7.623 4.884 1.00 1.14 N ATOM 1014 CA VAL A 65 5.293 8.892 5.155 1.00 4.43 C ATOM 1015 C VAL A 65 6.743 8.675 5.576 1.00 54.42 C ATOM 1016 O VAL A 65 7.588 9.555 5.410 1.00 54.32 O ATOM 1017 CB VAL A 65 4.564 9.684 6.257 1.00 73.11 C ATOM 1018 CG1 VAL A 65 5.369 10.911 6.655 1.00 11.40 C ATOM 1019 CG2 VAL A 65 3.169 10.078 5.794 1.00 21.24 C ATOM 0 H VAL A 65 3.824 7.433 5.481 1.00 1.14 H new ATOM 0 HA VAL A 65 5.268 9.466 4.229 1.00 4.43 H new ATOM 0 HB VAL A 65 4.465 9.045 7.135 1.00 73.11 H new ATOM 0 HG11 VAL A 65 4.838 11.458 7.434 1.00 11.40 H new ATOM 0 HG12 VAL A 65 6.344 10.600 7.030 1.00 11.40 H new ATOM 0 HG13 VAL A 65 5.503 11.556 5.786 1.00 11.40 H new ATOM 0 HG21 VAL A 65 2.668 10.637 6.584 1.00 21.24 H new ATOM 0 HG22 VAL A 65 3.244 10.699 4.902 1.00 21.24 H new ATOM 0 HG23 VAL A 65 2.595 9.180 5.564 1.00 21.24 H new ATOM 1029 N LYS A 66 7.024 7.497 6.121 1.00 5.02 N ATOM 1030 CA LYS A 66 8.372 7.161 6.565 1.00 43.42 C ATOM 1031 C LYS A 66 8.845 5.858 5.929 1.00 25.03 C ATOM 1032 O LYS A 66 8.167 5.290 5.073 1.00 12.12 O ATOM 1033 CB LYS A 66 8.415 7.042 8.090 1.00 54.41 C ATOM 1034 CG LYS A 66 7.275 6.221 8.668 1.00 63.23 C ATOM 1035 CD LYS A 66 6.110 7.101 9.086 1.00 35.24 C ATOM 1036 CE LYS A 66 6.226 7.525 10.542 1.00 3.24 C ATOM 1037 NZ LYS A 66 5.442 8.759 10.825 1.00 4.40 N ATOM 0 H LYS A 66 6.336 6.758 6.266 1.00 5.02 H new ATOM 0 HA LYS A 66 9.041 7.962 6.251 1.00 43.42 H new ATOM 0 HB2 LYS A 66 9.362 6.591 8.384 1.00 54.41 H new ATOM 0 HB3 LYS A 66 8.389 8.041 8.525 1.00 54.41 H new ATOM 0 HG2 LYS A 66 6.937 5.495 7.928 1.00 63.23 H new ATOM 0 HG3 LYS A 66 7.632 5.656 9.529 1.00 63.23 H new ATOM 0 HD2 LYS A 66 6.074 7.986 8.450 1.00 35.24 H new ATOM 0 HD3 LYS A 66 5.174 6.563 8.936 1.00 35.24 H new ATOM 0 HE2 LYS A 66 5.876 6.717 11.184 1.00 3.24 H new ATOM 0 HE3 LYS A 66 7.274 7.696 10.788 1.00 3.24 H new ATOM 0 HZ1 LYS A 66 5.547 9.015 11.828 1.00 4.40 H new ATOM 0 HZ2 LYS A 66 5.793 9.537 10.231 1.00 4.40 H new ATOM 0 HZ3 LYS A 66 4.438 8.588 10.615 1.00 4.40 H new ATOM 1051 N LYS A 67 10.013 5.388 6.354 1.00 21.45 N ATOM 1052 CA LYS A 67 10.577 4.149 5.830 1.00 54.43 C ATOM 1053 C LYS A 67 10.148 2.955 6.676 1.00 21.10 C ATOM 1054 O LYS A 67 10.393 2.918 7.881 1.00 0.05 O ATOM 1055 CB LYS A 67 12.104 4.237 5.789 1.00 51.25 C ATOM 1056 CG LYS A 67 12.626 5.309 4.848 1.00 44.21 C ATOM 1057 CD LYS A 67 12.722 4.799 3.420 1.00 43.43 C ATOM 1058 CE LYS A 67 14.015 5.246 2.754 1.00 11.00 C ATOM 1059 NZ LYS A 67 14.291 4.479 1.508 1.00 70.20 N ATOM 0 H LYS A 67 10.588 5.847 7.061 1.00 21.45 H new ATOM 0 HA LYS A 67 10.200 4.008 4.817 1.00 54.43 H new ATOM 0 HB2 LYS A 67 12.475 4.436 6.794 1.00 51.25 H new ATOM 0 HB3 LYS A 67 12.507 3.271 5.485 1.00 51.25 H new ATOM 0 HG2 LYS A 67 11.967 6.176 4.882 1.00 44.21 H new ATOM 0 HG3 LYS A 67 13.608 5.642 5.183 1.00 44.21 H new ATOM 0 HD2 LYS A 67 12.667 3.710 3.417 1.00 43.43 H new ATOM 0 HD3 LYS A 67 11.871 5.163 2.845 1.00 43.43 H new ATOM 0 HE2 LYS A 67 13.954 6.309 2.520 1.00 11.00 H new ATOM 0 HE3 LYS A 67 14.844 5.119 3.450 1.00 11.00 H new ATOM 0 HZ1 LYS A 67 15.180 4.813 1.084 1.00 70.20 H new ATOM 0 HZ2 LYS A 67 14.374 3.467 1.734 1.00 70.20 H new ATOM 0 HZ3 LYS A 67 13.512 4.620 0.834 1.00 70.20 H new ATOM 1073 N GLN A 68 9.509 1.981 6.036 1.00 22.12 N ATOM 1074 CA GLN A 68 9.048 0.785 6.731 1.00 0.05 C ATOM 1075 C GLN A 68 9.379 -0.471 5.933 1.00 65.15 C ATOM 1076 O GLN A 68 9.514 -0.425 4.709 1.00 2.13 O ATOM 1077 CB GLN A 68 7.541 0.863 6.980 1.00 54.04 C ATOM 1078 CG GLN A 68 7.118 2.087 7.775 1.00 14.33 C ATOM 1079 CD GLN A 68 7.313 1.909 9.268 1.00 0.21 C ATOM 1080 OE1 GLN A 68 6.561 1.186 9.922 1.00 1.24 O ATOM 1081 NE2 GLN A 68 8.327 2.569 9.816 1.00 50.15 N ATOM 0 H GLN A 68 9.299 1.997 5.038 1.00 22.12 H new ATOM 0 HA GLN A 68 9.565 0.731 7.689 1.00 0.05 H new ATOM 0 HB2 GLN A 68 7.023 0.866 6.021 1.00 54.04 H new ATOM 0 HB3 GLN A 68 7.222 -0.033 7.512 1.00 54.04 H new ATOM 0 HG2 GLN A 68 7.691 2.951 7.438 1.00 14.33 H new ATOM 0 HG3 GLN A 68 6.069 2.302 7.573 1.00 14.33 H new ATOM 0 HE21 GLN A 68 8.925 3.157 9.236 1.00 50.15 H new ATOM 0 HE22 GLN A 68 8.507 2.487 10.817 1.00 50.15 H new ATOM 1090 N THR A 69 9.510 -1.594 6.632 1.00 64.10 N ATOM 1091 CA THR A 69 9.828 -2.863 5.988 1.00 13.35 C ATOM 1092 C THR A 69 8.561 -3.644 5.658 1.00 11.34 C ATOM 1093 O THR A 69 7.463 -3.269 6.072 1.00 63.41 O ATOM 1094 CB THR A 69 10.736 -3.732 6.878 1.00 21.21 C ATOM 1095 OG1 THR A 69 9.958 -4.374 7.894 1.00 15.34 O ATOM 1096 CG2 THR A 69 11.827 -2.891 7.523 1.00 0.13 C ATOM 0 H THR A 69 9.401 -1.651 7.645 1.00 64.10 H new ATOM 0 HA THR A 69 10.356 -2.626 5.065 1.00 13.35 H new ATOM 0 HB THR A 69 11.206 -4.488 6.249 1.00 21.21 H new ATOM 0 HG1 THR A 69 10.543 -4.926 8.454 1.00 15.34 H new ATOM 0 HG21 THR A 69 12.455 -3.527 8.147 1.00 0.13 H new ATOM 0 HG22 THR A 69 12.436 -2.428 6.747 1.00 0.13 H new ATOM 0 HG23 THR A 69 11.372 -2.115 8.138 1.00 0.13 H new ATOM 1104 N PHE A 70 8.720 -4.731 4.912 1.00 74.54 N ATOM 1105 CA PHE A 70 7.588 -5.566 4.526 1.00 54.23 C ATOM 1106 C PHE A 70 6.901 -6.154 5.755 1.00 25.12 C ATOM 1107 O PHE A 70 5.693 -6.010 5.933 1.00 52.10 O ATOM 1108 CB PHE A 70 8.049 -6.691 3.598 1.00 63.41 C ATOM 1109 CG PHE A 70 7.052 -7.807 3.467 1.00 64.12 C ATOM 1110 CD1 PHE A 70 5.848 -7.604 2.813 1.00 72.41 C ATOM 1111 CD2 PHE A 70 7.320 -9.059 3.998 1.00 53.40 C ATOM 1112 CE1 PHE A 70 4.928 -8.629 2.690 1.00 23.12 C ATOM 1113 CE2 PHE A 70 6.404 -10.087 3.878 1.00 63.10 C ATOM 1114 CZ PHE A 70 5.207 -9.872 3.224 1.00 14.24 C ATOM 0 H PHE A 70 9.622 -5.055 4.562 1.00 74.54 H new ATOM 0 HA PHE A 70 6.871 -4.939 3.996 1.00 54.23 H new ATOM 0 HB2 PHE A 70 8.250 -6.277 2.610 1.00 63.41 H new ATOM 0 HB3 PHE A 70 8.989 -7.097 3.971 1.00 63.41 H new ATOM 0 HD1 PHE A 70 5.625 -6.634 2.394 1.00 72.41 H new ATOM 0 HD2 PHE A 70 8.254 -9.233 4.511 1.00 53.40 H new ATOM 0 HE1 PHE A 70 3.993 -8.458 2.177 1.00 23.12 H new ATOM 0 HE2 PHE A 70 6.624 -11.058 4.296 1.00 63.10 H new ATOM 0 HZ PHE A 70 4.490 -10.674 3.130 1.00 14.24 H new ATOM 1124 N ASN A 71 7.683 -6.818 6.600 1.00 20.45 N ATOM 1125 CA ASN A 71 7.151 -7.430 7.813 1.00 64.10 C ATOM 1126 C ASN A 71 6.548 -6.375 8.735 1.00 4.12 C ATOM 1127 O ASN A 71 5.488 -6.582 9.325 1.00 74.33 O ATOM 1128 CB ASN A 71 8.253 -8.196 8.548 1.00 62.22 C ATOM 1129 CG ASN A 71 8.102 -9.699 8.411 1.00 64.01 C ATOM 1130 OD1 ASN A 71 8.604 -10.300 7.461 1.00 25.53 O ATOM 1131 ND2 ASN A 71 7.408 -10.313 9.362 1.00 53.22 N ATOM 0 H ASN A 71 8.686 -6.946 6.468 1.00 20.45 H new ATOM 0 HA ASN A 71 6.364 -8.127 7.524 1.00 64.10 H new ATOM 0 HB2 ASN A 71 9.225 -7.894 8.157 1.00 62.22 H new ATOM 0 HB3 ASN A 71 8.237 -7.927 9.604 1.00 62.22 H new ATOM 0 HD21 ASN A 71 7.273 -11.323 9.323 1.00 53.22 H new ATOM 0 HD22 ASN A 71 7.010 -9.774 10.131 1.00 53.22 H new ATOM 1138 N LYS A 72 7.232 -5.242 8.855 1.00 13.31 N ATOM 1139 CA LYS A 72 6.764 -4.152 9.703 1.00 3.24 C ATOM 1140 C LYS A 72 5.453 -3.577 9.178 1.00 71.05 C ATOM 1141 O LYS A 72 4.488 -3.420 9.926 1.00 41.42 O ATOM 1142 CB LYS A 72 7.822 -3.049 9.781 1.00 2.31 C ATOM 1143 CG LYS A 72 7.831 -2.306 11.106 1.00 32.52 C ATOM 1144 CD LYS A 72 6.467 -1.717 11.424 1.00 32.11 C ATOM 1145 CE LYS A 72 6.519 -0.822 12.653 1.00 41.13 C ATOM 1146 NZ LYS A 72 7.159 -1.506 13.810 1.00 10.35 N ATOM 0 H LYS A 72 8.113 -5.055 8.376 1.00 13.31 H new ATOM 0 HA LYS A 72 6.590 -4.552 10.702 1.00 3.24 H new ATOM 0 HB2 LYS A 72 8.805 -3.488 9.614 1.00 2.31 H new ATOM 0 HB3 LYS A 72 7.651 -2.335 8.975 1.00 2.31 H new ATOM 0 HG2 LYS A 72 8.130 -2.986 11.904 1.00 32.52 H new ATOM 0 HG3 LYS A 72 8.574 -1.509 11.072 1.00 32.52 H new ATOM 0 HD2 LYS A 72 6.109 -1.143 10.569 1.00 32.11 H new ATOM 0 HD3 LYS A 72 5.751 -2.522 11.589 1.00 32.11 H new ATOM 0 HE2 LYS A 72 7.072 0.087 12.417 1.00 41.13 H new ATOM 0 HE3 LYS A 72 5.508 -0.519 12.924 1.00 41.13 H new ATOM 0 HZ1 LYS A 72 6.996 -0.951 14.675 1.00 10.35 H new ATOM 0 HZ2 LYS A 72 6.747 -2.454 13.924 1.00 10.35 H new ATOM 0 HZ3 LYS A 72 8.182 -1.591 13.641 1.00 10.35 H new ATOM 1160 N VAL A 73 5.424 -3.266 7.885 1.00 21.44 N ATOM 1161 CA VAL A 73 4.230 -2.712 7.259 1.00 41.41 C ATOM 1162 C VAL A 73 3.016 -3.601 7.506 1.00 44.43 C ATOM 1163 O VAL A 73 1.877 -3.134 7.490 1.00 42.05 O ATOM 1164 CB VAL A 73 4.423 -2.535 5.741 1.00 2.00 C ATOM 1165 CG1 VAL A 73 3.092 -2.251 5.063 1.00 53.03 C ATOM 1166 CG2 VAL A 73 5.423 -1.424 5.457 1.00 21.23 C ATOM 0 H VAL A 73 6.214 -3.389 7.252 1.00 21.44 H new ATOM 0 HA VAL A 73 4.059 -1.736 7.712 1.00 41.41 H new ATOM 0 HB VAL A 73 4.821 -3.464 5.332 1.00 2.00 H new ATOM 0 HG11 VAL A 73 3.248 -2.129 3.991 1.00 53.03 H new ATOM 0 HG12 VAL A 73 2.410 -3.083 5.238 1.00 53.03 H new ATOM 0 HG13 VAL A 73 2.662 -1.337 5.473 1.00 53.03 H new ATOM 0 HG21 VAL A 73 5.547 -1.313 4.380 1.00 21.23 H new ATOM 0 HG22 VAL A 73 5.056 -0.488 5.879 1.00 21.23 H new ATOM 0 HG23 VAL A 73 6.383 -1.674 5.909 1.00 21.23 H new ATOM 1176 N LYS A 74 3.268 -4.885 7.735 1.00 73.13 N ATOM 1177 CA LYS A 74 2.196 -5.842 7.987 1.00 5.52 C ATOM 1178 C LYS A 74 1.468 -5.513 9.287 1.00 45.44 C ATOM 1179 O LYS A 74 0.401 -6.058 9.566 1.00 70.30 O ATOM 1180 CB LYS A 74 2.759 -7.263 8.051 1.00 30.32 C ATOM 1181 CG LYS A 74 3.488 -7.687 6.787 1.00 14.45 C ATOM 1182 CD LYS A 74 3.104 -9.096 6.368 1.00 2.12 C ATOM 1183 CE LYS A 74 2.111 -9.084 5.217 1.00 73.05 C ATOM 1184 NZ LYS A 74 1.936 -10.438 4.621 1.00 40.43 N ATOM 0 H LYS A 74 4.205 -5.288 7.751 1.00 73.13 H new ATOM 0 HA LYS A 74 1.483 -5.777 7.165 1.00 5.52 H new ATOM 0 HB2 LYS A 74 3.443 -7.336 8.896 1.00 30.32 H new ATOM 0 HB3 LYS A 74 1.943 -7.960 8.240 1.00 30.32 H new ATOM 0 HG2 LYS A 74 3.256 -6.991 5.981 1.00 14.45 H new ATOM 0 HG3 LYS A 74 4.564 -7.636 6.952 1.00 14.45 H new ATOM 0 HD2 LYS A 74 3.998 -9.645 6.073 1.00 2.12 H new ATOM 0 HD3 LYS A 74 2.671 -9.624 7.218 1.00 2.12 H new ATOM 0 HE2 LYS A 74 1.148 -8.716 5.572 1.00 73.05 H new ATOM 0 HE3 LYS A 74 2.454 -8.391 4.449 1.00 73.05 H new ATOM 0 HZ1 LYS A 74 0.996 -10.504 4.180 1.00 40.43 H new ATOM 0 HZ2 LYS A 74 2.669 -10.597 3.900 1.00 40.43 H new ATOM 0 HZ3 LYS A 74 2.021 -11.159 5.366 1.00 40.43 H new ATOM 1198 N TRP A 75 2.052 -4.617 10.076 1.00 75.45 N ATOM 1199 CA TRP A 75 1.457 -4.215 11.345 1.00 74.10 C ATOM 1200 C TRP A 75 0.193 -3.393 11.118 1.00 73.24 C ATOM 1201 O TRP A 75 -0.646 -3.267 12.010 1.00 31.41 O ATOM 1202 CB TRP A 75 2.462 -3.410 12.170 1.00 33.14 C ATOM 1203 CG TRP A 75 2.579 -1.981 11.734 1.00 24.11 C ATOM 1204 CD1 TRP A 75 2.593 -1.514 10.451 1.00 60.43 C ATOM 1205 CD2 TRP A 75 2.702 -0.834 12.582 1.00 51.33 C ATOM 1206 NE1 TRP A 75 2.717 -0.146 10.449 1.00 13.14 N ATOM 1207 CE2 TRP A 75 2.784 0.296 11.744 1.00 24.01 C ATOM 1208 CE3 TRP A 75 2.748 -0.650 13.966 1.00 33.22 C ATOM 1209 CZ2 TRP A 75 2.911 1.588 12.248 1.00 64.24 C ATOM 1210 CZ3 TRP A 75 2.874 0.633 14.464 1.00 21.53 C ATOM 1211 CH2 TRP A 75 2.954 1.738 13.607 1.00 11.11 C ATOM 0 H TRP A 75 2.936 -4.156 9.859 1.00 75.45 H new ATOM 0 HA TRP A 75 1.187 -5.118 11.893 1.00 74.10 H new ATOM 0 HB2 TRP A 75 2.167 -3.439 13.219 1.00 33.14 H new ATOM 0 HB3 TRP A 75 3.441 -3.885 12.101 1.00 33.14 H new ATOM 0 HD1 TRP A 75 2.518 -2.130 9.567 1.00 60.43 H new ATOM 0 HE1 TRP A 75 2.753 0.445 9.618 1.00 13.14 H new ATOM 0 HE3 TRP A 75 2.686 -1.496 14.635 1.00 33.22 H new ATOM 0 HZ2 TRP A 75 2.973 2.441 11.589 1.00 64.24 H new ATOM 0 HZ3 TRP A 75 2.911 0.786 15.532 1.00 21.53 H new ATOM 0 HH2 TRP A 75 3.052 2.728 14.027 1.00 11.11 H new ATOM 1222 N TYR A 76 0.062 -2.836 9.919 1.00 44.11 N ATOM 1223 CA TYR A 76 -1.099 -2.024 9.576 1.00 50.12 C ATOM 1224 C TYR A 76 -1.943 -2.706 8.503 1.00 31.15 C ATOM 1225 O TYR A 76 -3.157 -2.851 8.651 1.00 33.32 O ATOM 1226 CB TYR A 76 -0.656 -0.643 9.090 1.00 53.30 C ATOM 1227 CG TYR A 76 -0.825 0.446 10.125 1.00 14.23 C ATOM 1228 CD1 TYR A 76 -1.959 0.500 10.927 1.00 23.02 C ATOM 1229 CD2 TYR A 76 0.149 1.421 10.302 1.00 21.22 C ATOM 1230 CE1 TYR A 76 -2.117 1.494 11.874 1.00 74.53 C ATOM 1231 CE2 TYR A 76 -0.001 2.417 11.247 1.00 5.24 C ATOM 1232 CZ TYR A 76 -1.136 2.450 12.030 1.00 23.42 C ATOM 1233 OH TYR A 76 -1.289 3.440 12.973 1.00 54.10 O ATOM 0 H TYR A 76 0.746 -2.932 9.168 1.00 44.11 H new ATOM 0 HA TYR A 76 -1.708 -1.909 10.473 1.00 50.12 H new ATOM 0 HB2 TYR A 76 0.392 -0.691 8.793 1.00 53.30 H new ATOM 0 HB3 TYR A 76 -1.228 -0.379 8.201 1.00 53.30 H new ATOM 0 HD1 TYR A 76 -2.730 -0.247 10.808 1.00 23.02 H new ATOM 0 HD2 TYR A 76 1.039 1.400 9.690 1.00 21.22 H new ATOM 0 HE1 TYR A 76 -3.005 1.522 12.489 1.00 74.53 H new ATOM 0 HE2 TYR A 76 0.767 3.166 11.372 1.00 5.24 H new ATOM 0 HH TYR A 76 -0.408 3.718 13.302 1.00 54.10 H new ATOM 1243 N LEU A 77 -1.291 -3.124 7.424 1.00 52.30 N ATOM 1244 CA LEU A 77 -1.980 -3.792 6.325 1.00 21.12 C ATOM 1245 C LEU A 77 -2.463 -5.176 6.747 1.00 64.23 C ATOM 1246 O LEU A 77 -3.521 -5.633 6.318 1.00 55.20 O ATOM 1247 CB LEU A 77 -1.054 -3.910 5.113 1.00 10.52 C ATOM 1248 CG LEU A 77 -0.701 -2.599 4.409 1.00 62.11 C ATOM 1249 CD1 LEU A 77 0.172 -2.865 3.192 1.00 22.34 C ATOM 1250 CD2 LEU A 77 -1.964 -1.852 4.008 1.00 53.23 C ATOM 0 H LEU A 77 -0.287 -3.012 7.286 1.00 52.30 H new ATOM 0 HA LEU A 77 -2.848 -3.191 6.054 1.00 21.12 H new ATOM 0 HB2 LEU A 77 -0.128 -4.388 5.433 1.00 10.52 H new ATOM 0 HB3 LEU A 77 -1.522 -4.575 4.387 1.00 10.52 H new ATOM 0 HG LEU A 77 -0.139 -1.975 5.104 1.00 62.11 H new ATOM 0 HD11 LEU A 77 0.413 -1.921 2.704 1.00 22.34 H new ATOM 0 HD12 LEU A 77 1.093 -3.357 3.505 1.00 22.34 H new ATOM 0 HD13 LEU A 77 -0.364 -3.508 2.494 1.00 22.34 H new ATOM 0 HD21 LEU A 77 -1.693 -0.922 3.508 1.00 53.23 H new ATOM 0 HD22 LEU A 77 -2.553 -2.470 3.330 1.00 53.23 H new ATOM 0 HD23 LEU A 77 -2.552 -1.628 4.898 1.00 53.23 H new ATOM 1262 N GLY A 78 -1.679 -5.839 7.592 1.00 43.01 N ATOM 1263 CA GLY A 78 -2.044 -7.163 8.059 1.00 30.43 C ATOM 1264 C GLY A 78 -1.465 -8.264 7.193 1.00 70.13 C ATOM 1265 O GLY A 78 -1.227 -8.065 6.002 1.00 60.31 O ATOM 0 H GLY A 78 -0.798 -5.482 7.961 1.00 43.01 H new ATOM 0 HA2 GLY A 78 -1.697 -7.291 9.084 1.00 30.43 H new ATOM 0 HA3 GLY A 78 -3.130 -7.252 8.076 1.00 30.43 H new ATOM 1269 N ALA A 79 -1.236 -9.428 7.792 1.00 74.22 N ATOM 1270 CA ALA A 79 -0.682 -10.565 7.067 1.00 41.44 C ATOM 1271 C ALA A 79 -1.734 -11.211 6.171 1.00 2.33 C ATOM 1272 O ALA A 79 -1.406 -11.822 5.154 1.00 31.34 O ATOM 1273 CB ALA A 79 -0.115 -11.587 8.041 1.00 53.22 C ATOM 0 H ALA A 79 -1.426 -9.608 8.778 1.00 74.22 H new ATOM 0 HA ALA A 79 0.124 -10.200 6.431 1.00 41.44 H new ATOM 0 HB1 ALA A 79 0.295 -12.430 7.486 1.00 53.22 H new ATOM 0 HB2 ALA A 79 0.674 -11.125 8.635 1.00 53.22 H new ATOM 0 HB3 ALA A 79 -0.907 -11.939 8.702 1.00 53.22 H new ATOM 1279 N ARG A 80 -2.998 -11.072 6.556 1.00 12.54 N ATOM 1280 CA ARG A 80 -4.098 -11.644 5.789 1.00 1.31 C ATOM 1281 C ARG A 80 -4.022 -11.214 4.327 1.00 40.01 C ATOM 1282 O ARG A 80 -4.301 -12.002 3.423 1.00 74.13 O ATOM 1283 CB ARG A 80 -5.440 -11.219 6.387 1.00 33.34 C ATOM 1284 CG ARG A 80 -5.598 -11.590 7.853 1.00 13.10 C ATOM 1285 CD ARG A 80 -6.552 -12.761 8.032 1.00 65.22 C ATOM 1286 NE ARG A 80 -6.177 -13.903 7.202 1.00 74.03 N ATOM 1287 CZ ARG A 80 -5.202 -14.750 7.513 1.00 55.10 C ATOM 1288 NH1 ARG A 80 -4.508 -14.584 8.630 1.00 64.31 N ATOM 1289 NH2 ARG A 80 -4.921 -15.765 6.706 1.00 33.34 N ATOM 0 H ARG A 80 -3.286 -10.568 7.395 1.00 12.54 H new ATOM 0 HA ARG A 80 -4.015 -12.730 5.836 1.00 1.31 H new ATOM 0 HB2 ARG A 80 -5.550 -10.140 6.280 1.00 33.34 H new ATOM 0 HB3 ARG A 80 -6.245 -11.680 5.815 1.00 33.34 H new ATOM 0 HG2 ARG A 80 -4.625 -11.845 8.272 1.00 13.10 H new ATOM 0 HG3 ARG A 80 -5.969 -10.729 8.409 1.00 13.10 H new ATOM 0 HD2 ARG A 80 -6.564 -13.062 9.079 1.00 65.22 H new ATOM 0 HD3 ARG A 80 -7.564 -12.446 7.779 1.00 65.22 H new ATOM 0 HE ARG A 80 -6.692 -14.059 6.336 1.00 74.03 H new ATOM 0 HH11 ARG A 80 -4.722 -13.805 9.252 1.00 64.31 H new ATOM 0 HH12 ARG A 80 -3.760 -15.235 8.867 1.00 64.31 H new ATOM 0 HH21 ARG A 80 -5.454 -15.895 5.846 1.00 33.34 H new ATOM 0 HH22 ARG A 80 -4.172 -16.415 6.946 1.00 33.34 H new ATOM 1303 N CYS A 81 -3.643 -9.961 4.103 1.00 12.41 N ATOM 1304 CA CYS A 81 -3.532 -9.425 2.751 1.00 61.42 C ATOM 1305 C CYS A 81 -2.082 -9.440 2.278 1.00 61.32 C ATOM 1306 O CYS A 81 -1.161 -9.196 3.058 1.00 62.11 O ATOM 1307 CB CYS A 81 -4.084 -8.000 2.697 1.00 70.31 C ATOM 1308 SG CYS A 81 -3.024 -6.768 3.488 1.00 41.50 S ATOM 0 H CYS A 81 -3.407 -9.297 4.840 1.00 12.41 H new ATOM 0 HA CYS A 81 -4.119 -10.059 2.086 1.00 61.42 H new ATOM 0 HB2 CYS A 81 -4.234 -7.719 1.655 1.00 70.31 H new ATOM 0 HB3 CYS A 81 -5.063 -7.983 3.176 1.00 70.31 H new ATOM 0 HG CYS A 81 -3.490 -6.489 4.669 1.00 41.50 H new ATOM 1314 N HIS A 82 -1.886 -9.730 0.995 1.00 31.14 N ATOM 1315 CA HIS A 82 -0.547 -9.778 0.418 1.00 34.13 C ATOM 1316 C HIS A 82 -0.025 -8.372 0.139 1.00 12.14 C ATOM 1317 O HIS A 82 -0.724 -7.545 -0.448 1.00 20.34 O ATOM 1318 CB HIS A 82 -0.555 -10.597 -0.873 1.00 23.33 C ATOM 1319 CG HIS A 82 0.805 -11.065 -1.293 1.00 34.21 C ATOM 1320 ND1 HIS A 82 1.635 -11.799 -0.472 1.00 42.41 N ATOM 1321 CD2 HIS A 82 1.477 -10.902 -2.456 1.00 54.35 C ATOM 1322 CE1 HIS A 82 2.760 -12.064 -1.112 1.00 31.41 C ATOM 1323 NE2 HIS A 82 2.689 -11.532 -2.318 1.00 51.35 N ATOM 0 H HIS A 82 -2.637 -9.935 0.336 1.00 31.14 H new ATOM 0 HA HIS A 82 0.116 -10.256 1.139 1.00 34.13 H new ATOM 0 HB2 HIS A 82 -1.203 -11.463 -0.740 1.00 23.33 H new ATOM 0 HB3 HIS A 82 -0.986 -9.995 -1.673 1.00 23.33 H new ATOM 0 HD2 HIS A 82 1.125 -10.374 -3.330 1.00 54.35 H new ATOM 0 HE1 HIS A 82 3.596 -12.621 -0.716 1.00 31.41 H new ATOM 0 HE2 HIS A 82 3.416 -11.581 -3.031 1.00 51.35 H new ATOM 1331 N ILE A 83 1.206 -8.108 0.565 1.00 73.14 N ATOM 1332 CA ILE A 83 1.820 -6.802 0.360 1.00 25.41 C ATOM 1333 C ILE A 83 2.987 -6.891 -0.618 1.00 23.23 C ATOM 1334 O ILE A 83 3.732 -7.871 -0.622 1.00 40.34 O ATOM 1335 CB ILE A 83 2.322 -6.202 1.687 1.00 72.12 C ATOM 1336 CG1 ILE A 83 1.362 -6.552 2.825 1.00 35.54 C ATOM 1337 CG2 ILE A 83 2.475 -4.694 1.561 1.00 1.33 C ATOM 1338 CD1 ILE A 83 1.753 -5.946 4.155 1.00 65.24 C ATOM 0 H ILE A 83 1.797 -8.781 1.054 1.00 73.14 H new ATOM 0 HA ILE A 83 1.050 -6.152 -0.055 1.00 25.41 H new ATOM 0 HB ILE A 83 3.298 -6.629 1.916 1.00 72.12 H new ATOM 0 HG12 ILE A 83 0.360 -6.213 2.561 1.00 35.54 H new ATOM 0 HG13 ILE A 83 1.315 -7.636 2.929 1.00 35.54 H new ATOM 0 HG21 ILE A 83 2.830 -4.284 2.506 1.00 1.33 H new ATOM 0 HG22 ILE A 83 3.193 -4.466 0.774 1.00 1.33 H new ATOM 0 HG23 ILE A 83 1.511 -4.250 1.313 1.00 1.33 H new ATOM 0 HD11 ILE A 83 1.027 -6.237 4.915 1.00 65.24 H new ATOM 0 HD12 ILE A 83 2.742 -6.305 4.442 1.00 65.24 H new ATOM 0 HD13 ILE A 83 1.772 -4.860 4.068 1.00 65.24 H new ATOM 1350 N GLU A 84 3.141 -5.860 -1.443 1.00 75.41 N ATOM 1351 CA GLU A 84 4.218 -5.822 -2.425 1.00 20.42 C ATOM 1352 C GLU A 84 4.666 -4.387 -2.686 1.00 21.25 C ATOM 1353 O GLU A 84 3.970 -3.434 -2.337 1.00 15.23 O ATOM 1354 CB GLU A 84 3.768 -6.474 -3.734 1.00 41.43 C ATOM 1355 CG GLU A 84 4.842 -7.324 -4.392 1.00 2.13 C ATOM 1356 CD GLU A 84 4.730 -7.339 -5.904 1.00 3.32 C ATOM 1357 OE1 GLU A 84 3.666 -7.743 -6.417 1.00 21.13 O ATOM 1358 OE2 GLU A 84 5.708 -6.945 -6.574 1.00 72.23 O ATOM 0 H GLU A 84 2.534 -5.040 -1.451 1.00 75.41 H new ATOM 0 HA GLU A 84 5.063 -6.380 -2.021 1.00 20.42 H new ATOM 0 HB2 GLU A 84 2.894 -7.095 -3.539 1.00 41.43 H new ATOM 0 HB3 GLU A 84 3.456 -5.695 -4.430 1.00 41.43 H new ATOM 0 HG2 GLU A 84 5.824 -6.946 -4.108 1.00 2.13 H new ATOM 0 HG3 GLU A 84 4.773 -8.345 -4.016 1.00 2.13 H new ATOM 1365 N LYS A 85 5.835 -4.241 -3.301 1.00 33.12 N ATOM 1366 CA LYS A 85 6.378 -2.924 -3.610 1.00 13.31 C ATOM 1367 C LYS A 85 5.796 -2.388 -4.914 1.00 51.31 C ATOM 1368 O LYS A 85 5.747 -3.095 -5.920 1.00 35.43 O ATOM 1369 CB LYS A 85 7.904 -2.989 -3.708 1.00 55.54 C ATOM 1370 CG LYS A 85 8.581 -1.639 -3.547 1.00 44.14 C ATOM 1371 CD LYS A 85 10.061 -1.791 -3.239 1.00 23.43 C ATOM 1372 CE LYS A 85 10.839 -2.266 -4.457 1.00 33.53 C ATOM 1373 NZ LYS A 85 11.125 -3.727 -4.397 1.00 55.34 N ATOM 0 H LYS A 85 6.425 -5.019 -3.595 1.00 33.12 H new ATOM 0 HA LYS A 85 6.101 -2.246 -2.803 1.00 13.31 H new ATOM 0 HB2 LYS A 85 8.280 -3.668 -2.943 1.00 55.54 H new ATOM 0 HB3 LYS A 85 8.180 -3.412 -4.674 1.00 55.54 H new ATOM 0 HG2 LYS A 85 8.456 -1.057 -4.460 1.00 44.14 H new ATOM 0 HG3 LYS A 85 8.097 -1.081 -2.745 1.00 44.14 H new ATOM 0 HD2 LYS A 85 10.463 -0.836 -2.899 1.00 23.43 H new ATOM 0 HD3 LYS A 85 10.193 -2.501 -2.423 1.00 23.43 H new ATOM 0 HE2 LYS A 85 10.271 -2.044 -5.360 1.00 33.53 H new ATOM 0 HE3 LYS A 85 11.777 -1.715 -4.527 1.00 33.53 H new ATOM 0 HZ1 LYS A 85 11.656 -4.012 -5.244 1.00 55.34 H new ATOM 0 HZ2 LYS A 85 11.689 -3.936 -3.548 1.00 55.34 H new ATOM 0 HZ3 LYS A 85 10.230 -4.255 -4.356 1.00 55.34 H new ATOM 1387 N ALA A 86 5.358 -1.133 -4.890 1.00 70.20 N ATOM 1388 CA ALA A 86 4.783 -0.502 -6.071 1.00 42.24 C ATOM 1389 C ALA A 86 5.873 0.045 -6.987 1.00 23.30 C ATOM 1390 O ALA A 86 6.956 0.411 -6.530 1.00 43.43 O ATOM 1391 CB ALA A 86 3.827 0.610 -5.664 1.00 24.44 C ATOM 0 H ALA A 86 5.391 -0.534 -4.065 1.00 70.20 H new ATOM 0 HA ALA A 86 4.227 -1.260 -6.622 1.00 42.24 H new ATOM 0 HB1 ALA A 86 3.405 1.072 -6.557 1.00 24.44 H new ATOM 0 HB2 ALA A 86 3.023 0.194 -5.056 1.00 24.44 H new ATOM 0 HB3 ALA A 86 4.367 1.361 -5.087 1.00 24.44 H new ATOM 1397 N LYS A 87 5.581 0.096 -8.282 1.00 52.21 N ATOM 1398 CA LYS A 87 6.535 0.598 -9.263 1.00 44.52 C ATOM 1399 C LYS A 87 5.879 1.618 -10.189 1.00 31.14 C ATOM 1400 O LYS A 87 4.715 1.475 -10.560 1.00 33.44 O ATOM 1401 CB LYS A 87 7.109 -0.558 -10.086 1.00 12.34 C ATOM 1402 CG LYS A 87 6.054 -1.349 -10.840 1.00 25.33 C ATOM 1403 CD LYS A 87 6.351 -1.396 -12.329 1.00 43.42 C ATOM 1404 CE LYS A 87 5.254 -2.120 -13.094 1.00 0.10 C ATOM 1405 NZ LYS A 87 4.610 -1.239 -14.107 1.00 71.02 N ATOM 0 H LYS A 87 4.690 -0.205 -8.677 1.00 52.21 H new ATOM 0 HA LYS A 87 7.345 1.090 -8.725 1.00 44.52 H new ATOM 0 HB2 LYS A 87 7.833 -0.162 -10.798 1.00 12.34 H new ATOM 0 HB3 LYS A 87 7.651 -1.232 -9.422 1.00 12.34 H new ATOM 0 HG2 LYS A 87 6.008 -2.364 -10.445 1.00 25.33 H new ATOM 0 HG3 LYS A 87 5.075 -0.899 -10.677 1.00 25.33 H new ATOM 0 HD2 LYS A 87 6.454 -0.381 -12.713 1.00 43.42 H new ATOM 0 HD3 LYS A 87 7.304 -1.898 -12.495 1.00 43.42 H new ATOM 0 HE2 LYS A 87 5.674 -2.996 -13.589 1.00 0.10 H new ATOM 0 HE3 LYS A 87 4.500 -2.480 -12.394 1.00 0.10 H new ATOM 0 HZ1 LYS A 87 3.868 -1.769 -14.607 1.00 71.02 H new ATOM 0 HZ2 LYS A 87 4.187 -0.416 -13.633 1.00 71.02 H new ATOM 0 HZ3 LYS A 87 5.324 -0.916 -14.790 1.00 71.02 H new ATOM 1419 N GLY A 88 6.635 2.647 -10.559 1.00 54.41 N ATOM 1420 CA GLY A 88 6.109 3.675 -11.439 1.00 61.42 C ATOM 1421 C GLY A 88 6.032 5.031 -10.766 1.00 72.44 C ATOM 1422 O GLY A 88 6.426 5.182 -9.610 1.00 4.43 O ATOM 0 H GLY A 88 7.602 2.787 -10.265 1.00 54.41 H new ATOM 0 HA2 GLY A 88 6.740 3.748 -12.325 1.00 61.42 H new ATOM 0 HA3 GLY A 88 5.115 3.384 -11.778 1.00 61.42 H new ATOM 1426 N THR A 89 5.523 6.022 -11.492 1.00 60.31 N ATOM 1427 CA THR A 89 5.398 7.373 -10.960 1.00 30.42 C ATOM 1428 C THR A 89 4.096 7.540 -10.186 1.00 15.14 C ATOM 1429 O THR A 89 3.257 6.639 -10.161 1.00 13.30 O ATOM 1430 CB THR A 89 5.454 8.426 -12.082 1.00 51.12 C ATOM 1431 OG1 THR A 89 4.232 8.412 -12.828 1.00 52.33 O ATOM 1432 CG2 THR A 89 6.626 8.161 -13.015 1.00 3.53 C ATOM 0 H THR A 89 5.191 5.914 -12.450 1.00 60.31 H new ATOM 0 HA THR A 89 6.241 7.527 -10.286 1.00 30.42 H new ATOM 0 HB THR A 89 5.589 9.406 -11.624 1.00 51.12 H new ATOM 0 HG1 THR A 89 4.275 9.086 -13.539 1.00 52.33 H new ATOM 0 HG21 THR A 89 6.645 8.918 -13.799 1.00 3.53 H new ATOM 0 HG22 THR A 89 7.557 8.201 -12.450 1.00 3.53 H new ATOM 0 HG23 THR A 89 6.517 7.174 -13.465 1.00 3.53 H new ATOM 1440 N ASP A 90 3.932 8.698 -9.555 1.00 63.03 N ATOM 1441 CA ASP A 90 2.730 8.984 -8.781 1.00 40.32 C ATOM 1442 C ASP A 90 1.478 8.793 -9.631 1.00 71.42 C ATOM 1443 O ASP A 90 0.470 8.270 -9.158 1.00 34.43 O ATOM 1444 CB ASP A 90 2.777 10.412 -8.235 1.00 42.22 C ATOM 1445 CG ASP A 90 2.920 11.448 -9.333 1.00 70.55 C ATOM 1446 OD1 ASP A 90 1.883 11.886 -9.873 1.00 60.14 O ATOM 1447 OD2 ASP A 90 4.069 11.819 -9.654 1.00 32.23 O ATOM 0 H ASP A 90 4.617 9.454 -9.565 1.00 63.03 H new ATOM 0 HA ASP A 90 2.691 8.285 -7.946 1.00 40.32 H new ATOM 0 HB2 ASP A 90 1.868 10.611 -7.668 1.00 42.22 H new ATOM 0 HB3 ASP A 90 3.612 10.505 -7.541 1.00 42.22 H new ATOM 1452 N GLN A 91 1.550 9.221 -10.887 1.00 65.55 N ATOM 1453 CA GLN A 91 0.422 9.097 -11.802 1.00 52.33 C ATOM 1454 C GLN A 91 0.168 7.637 -12.160 1.00 60.40 C ATOM 1455 O GLN A 91 -0.978 7.219 -12.324 1.00 22.32 O ATOM 1456 CB GLN A 91 0.677 9.909 -13.073 1.00 64.04 C ATOM 1457 CG GLN A 91 -0.535 10.010 -13.985 1.00 11.43 C ATOM 1458 CD GLN A 91 -1.765 10.525 -13.264 1.00 35.22 C ATOM 1459 OE1 GLN A 91 -1.888 11.720 -12.996 1.00 50.54 O ATOM 1460 NE2 GLN A 91 -2.686 9.622 -12.945 1.00 3.11 N ATOM 0 H GLN A 91 2.378 9.657 -11.294 1.00 65.55 H new ATOM 0 HA GLN A 91 -0.463 9.488 -11.301 1.00 52.33 H new ATOM 0 HB2 GLN A 91 0.996 10.913 -12.794 1.00 64.04 H new ATOM 0 HB3 GLN A 91 1.500 9.455 -13.625 1.00 64.04 H new ATOM 0 HG2 GLN A 91 -0.303 10.672 -14.819 1.00 11.43 H new ATOM 0 HG3 GLN A 91 -0.750 9.028 -14.407 1.00 11.43 H new ATOM 0 HE21 GLN A 91 -2.544 8.641 -13.186 1.00 3.11 H new ATOM 0 HE22 GLN A 91 -3.535 9.910 -12.459 1.00 3.11 H new ATOM 1469 N GLN A 92 1.244 6.866 -12.280 1.00 4.21 N ATOM 1470 CA GLN A 92 1.137 5.452 -12.619 1.00 43.24 C ATOM 1471 C GLN A 92 0.448 4.675 -11.503 1.00 12.00 C ATOM 1472 O GLN A 92 -0.376 3.798 -11.761 1.00 42.40 O ATOM 1473 CB GLN A 92 2.524 4.864 -12.886 1.00 32.52 C ATOM 1474 CG GLN A 92 2.867 4.760 -14.363 1.00 61.30 C ATOM 1475 CD GLN A 92 3.514 3.436 -14.720 1.00 73.13 C ATOM 1476 OE1 GLN A 92 2.828 2.449 -14.987 1.00 34.34 O ATOM 1477 NE2 GLN A 92 4.841 3.408 -14.728 1.00 43.21 N ATOM 0 H GLN A 92 2.200 7.197 -12.147 1.00 4.21 H new ATOM 0 HA GLN A 92 0.533 5.365 -13.522 1.00 43.24 H new ATOM 0 HB2 GLN A 92 3.273 5.482 -12.390 1.00 32.52 H new ATOM 0 HB3 GLN A 92 2.581 3.872 -12.438 1.00 32.52 H new ATOM 0 HG2 GLN A 92 1.959 4.887 -14.953 1.00 61.30 H new ATOM 0 HG3 GLN A 92 3.540 5.574 -14.634 1.00 61.30 H new ATOM 0 HE21 GLN A 92 5.370 4.250 -14.500 1.00 43.21 H new ATOM 0 HE22 GLN A 92 5.331 2.545 -14.962 1.00 43.21 H new ATOM 1486 N ASN A 93 0.791 5.003 -10.261 1.00 73.34 N ATOM 1487 CA ASN A 93 0.205 4.334 -9.105 1.00 41.30 C ATOM 1488 C ASN A 93 -1.270 4.696 -8.957 1.00 23.30 C ATOM 1489 O ASN A 93 -2.115 3.827 -8.741 1.00 21.11 O ATOM 1490 CB ASN A 93 0.965 4.713 -7.832 1.00 72.10 C ATOM 1491 CG ASN A 93 2.467 4.737 -8.041 1.00 13.14 C ATOM 1492 OD1 ASN A 93 3.151 5.663 -7.603 1.00 75.41 O ATOM 1493 ND2 ASN A 93 2.987 3.717 -8.712 1.00 60.53 N ATOM 0 H ASN A 93 1.471 5.727 -10.030 1.00 73.34 H new ATOM 0 HA ASN A 93 0.283 3.258 -9.260 1.00 41.30 H new ATOM 0 HB2 ASN A 93 0.632 5.694 -7.492 1.00 72.10 H new ATOM 0 HB3 ASN A 93 0.722 4.002 -7.042 1.00 72.10 H new ATOM 0 HD21 ASN A 93 3.992 3.678 -8.883 1.00 60.53 H new ATOM 0 HD22 ASN A 93 2.382 2.972 -9.056 1.00 60.53 H new ATOM 1500 N LYS A 94 -1.572 5.984 -9.075 1.00 52.14 N ATOM 1501 CA LYS A 94 -2.945 6.462 -8.957 1.00 45.31 C ATOM 1502 C LYS A 94 -3.820 5.883 -10.064 1.00 42.40 C ATOM 1503 O LYS A 94 -4.962 5.493 -9.824 1.00 23.22 O ATOM 1504 CB LYS A 94 -2.980 7.991 -9.011 1.00 50.33 C ATOM 1505 CG LYS A 94 -4.370 8.574 -8.824 1.00 40.51 C ATOM 1506 CD LYS A 94 -4.554 9.847 -9.633 1.00 52.42 C ATOM 1507 CE LYS A 94 -5.924 10.465 -9.397 1.00 31.33 C ATOM 1508 NZ LYS A 94 -6.055 11.793 -10.057 1.00 74.12 N ATOM 0 H LYS A 94 -0.884 6.716 -9.252 1.00 52.14 H new ATOM 0 HA LYS A 94 -3.338 6.129 -7.996 1.00 45.31 H new ATOM 0 HB2 LYS A 94 -2.321 8.389 -8.239 1.00 50.33 H new ATOM 0 HB3 LYS A 94 -2.582 8.322 -9.971 1.00 50.33 H new ATOM 0 HG2 LYS A 94 -5.117 7.839 -9.125 1.00 40.51 H new ATOM 0 HG3 LYS A 94 -4.538 8.785 -7.768 1.00 40.51 H new ATOM 0 HD2 LYS A 94 -3.779 10.565 -9.365 1.00 52.42 H new ATOM 0 HD3 LYS A 94 -4.431 9.626 -10.693 1.00 52.42 H new ATOM 0 HE2 LYS A 94 -6.695 9.794 -9.775 1.00 31.33 H new ATOM 0 HE3 LYS A 94 -6.094 10.574 -8.326 1.00 31.33 H new ATOM 0 HZ1 LYS A 94 -7.002 12.180 -9.872 1.00 74.12 H new ATOM 0 HZ2 LYS A 94 -5.336 12.442 -9.678 1.00 74.12 H new ATOM 0 HZ3 LYS A 94 -5.919 11.686 -11.082 1.00 74.12 H new ATOM 1522 N GLU A 95 -3.276 5.830 -11.276 1.00 2.31 N ATOM 1523 CA GLU A 95 -4.008 5.298 -12.419 1.00 34.13 C ATOM 1524 C GLU A 95 -4.177 3.786 -12.300 1.00 71.15 C ATOM 1525 O GLU A 95 -5.203 3.232 -12.696 1.00 51.01 O ATOM 1526 CB GLU A 95 -3.284 5.641 -13.722 1.00 22.10 C ATOM 1527 CG GLU A 95 -4.062 5.259 -14.970 1.00 21.32 C ATOM 1528 CD GLU A 95 -3.551 3.981 -15.607 1.00 50.35 C ATOM 1529 OE1 GLU A 95 -3.996 2.892 -15.190 1.00 73.54 O ATOM 1530 OE2 GLU A 95 -2.706 4.071 -16.523 1.00 34.03 O ATOM 0 H GLU A 95 -2.331 6.149 -11.491 1.00 2.31 H new ATOM 0 HA GLU A 95 -4.997 5.757 -12.431 1.00 34.13 H new ATOM 0 HB2 GLU A 95 -3.081 6.712 -13.744 1.00 22.10 H new ATOM 0 HB3 GLU A 95 -2.319 5.134 -13.736 1.00 22.10 H new ATOM 0 HG2 GLU A 95 -5.115 5.138 -14.715 1.00 21.32 H new ATOM 0 HG3 GLU A 95 -4.001 6.071 -15.694 1.00 21.32 H new ATOM 1537 N TYR A 96 -3.163 3.125 -11.754 1.00 60.41 N ATOM 1538 CA TYR A 96 -3.197 1.677 -11.586 1.00 64.41 C ATOM 1539 C TYR A 96 -4.413 1.251 -10.770 1.00 0.05 C ATOM 1540 O TYR A 96 -5.199 0.407 -11.200 1.00 74.24 O ATOM 1541 CB TYR A 96 -1.916 1.191 -10.905 1.00 41.30 C ATOM 1542 CG TYR A 96 -1.879 -0.303 -10.680 1.00 30.43 C ATOM 1543 CD1 TYR A 96 -1.382 -1.161 -11.653 1.00 43.32 C ATOM 1544 CD2 TYR A 96 -2.341 -0.858 -9.492 1.00 62.12 C ATOM 1545 CE1 TYR A 96 -1.347 -2.527 -11.452 1.00 1.13 C ATOM 1546 CE2 TYR A 96 -2.308 -2.223 -9.281 1.00 74.15 C ATOM 1547 CZ TYR A 96 -1.811 -3.053 -10.264 1.00 71.23 C ATOM 1548 OH TYR A 96 -1.777 -4.414 -10.059 1.00 42.52 O ATOM 0 H TYR A 96 -2.307 3.568 -11.420 1.00 60.41 H new ATOM 0 HA TYR A 96 -3.269 1.224 -12.575 1.00 64.41 H new ATOM 0 HB2 TYR A 96 -1.059 1.480 -11.514 1.00 41.30 H new ATOM 0 HB3 TYR A 96 -1.810 1.697 -9.945 1.00 41.30 H new ATOM 0 HD1 TYR A 96 -1.016 -0.752 -12.583 1.00 43.32 H new ATOM 0 HD2 TYR A 96 -2.732 -0.211 -8.721 1.00 62.12 H new ATOM 0 HE1 TYR A 96 -0.959 -3.179 -12.220 1.00 1.13 H new ATOM 0 HE2 TYR A 96 -2.669 -2.638 -8.352 1.00 74.15 H new ATOM 0 HH TYR A 96 -1.666 -4.598 -9.103 1.00 42.52 H new ATOM 1558 N CYS A 97 -4.561 1.842 -9.589 1.00 63.11 N ATOM 1559 CA CYS A 97 -5.681 1.525 -8.710 1.00 40.03 C ATOM 1560 C CYS A 97 -7.006 1.921 -9.354 1.00 2.01 C ATOM 1561 O CYS A 97 -8.021 1.250 -9.171 1.00 73.34 O ATOM 1562 CB CYS A 97 -5.520 2.238 -7.367 1.00 24.32 C ATOM 1563 SG CYS A 97 -3.924 1.951 -6.566 1.00 40.11 S ATOM 0 H CYS A 97 -3.919 2.543 -9.218 1.00 63.11 H new ATOM 0 HA CYS A 97 -5.686 0.448 -8.543 1.00 40.03 H new ATOM 0 HB2 CYS A 97 -5.651 3.309 -7.519 1.00 24.32 H new ATOM 0 HB3 CYS A 97 -6.315 1.911 -6.697 1.00 24.32 H new ATOM 0 HG CYS A 97 -2.992 2.580 -7.218 1.00 40.11 H new ATOM 1569 N SER A 98 -6.988 3.017 -10.106 1.00 71.55 N ATOM 1570 CA SER A 98 -8.189 3.506 -10.773 1.00 33.40 C ATOM 1571 C SER A 98 -8.508 2.664 -12.005 1.00 62.00 C ATOM 1572 O SER A 98 -9.596 2.760 -12.573 1.00 43.23 O ATOM 1573 CB SER A 98 -8.015 4.972 -11.174 1.00 64.40 C ATOM 1574 OG SER A 98 -9.175 5.465 -11.820 1.00 13.53 O ATOM 0 H SER A 98 -6.155 3.583 -10.269 1.00 71.55 H new ATOM 0 HA SER A 98 -9.021 3.425 -10.074 1.00 33.40 H new ATOM 0 HB2 SER A 98 -7.805 5.572 -10.288 1.00 64.40 H new ATOM 0 HB3 SER A 98 -7.156 5.071 -11.837 1.00 64.40 H new ATOM 0 HG SER A 98 -9.656 4.722 -12.241 1.00 13.53 H new ATOM 1580 N LYS A 99 -7.550 1.838 -12.413 1.00 53.11 N ATOM 1581 CA LYS A 99 -7.726 0.977 -13.577 1.00 13.33 C ATOM 1582 C LYS A 99 -8.959 0.093 -13.418 1.00 21.02 C ATOM 1583 O LYS A 99 -9.541 -0.357 -14.404 1.00 35.33 O ATOM 1584 CB LYS A 99 -6.485 0.107 -13.786 1.00 2.24 C ATOM 1585 CG LYS A 99 -6.546 -0.750 -15.038 1.00 54.10 C ATOM 1586 CD LYS A 99 -6.316 -2.218 -14.721 1.00 33.01 C ATOM 1587 CE LYS A 99 -4.945 -2.447 -14.104 1.00 42.33 C ATOM 1588 NZ LYS A 99 -4.247 -3.610 -14.719 1.00 52.23 N ATOM 0 H LYS A 99 -6.643 1.747 -11.955 1.00 53.11 H new ATOM 0 HA LYS A 99 -7.867 1.613 -14.451 1.00 13.33 H new ATOM 0 HB2 LYS A 99 -5.606 0.749 -13.838 1.00 2.24 H new ATOM 0 HB3 LYS A 99 -6.355 -0.540 -12.919 1.00 2.24 H new ATOM 0 HG2 LYS A 99 -7.518 -0.628 -15.516 1.00 54.10 H new ATOM 0 HG3 LYS A 99 -5.795 -0.409 -15.750 1.00 54.10 H new ATOM 0 HD2 LYS A 99 -7.088 -2.568 -14.036 1.00 33.01 H new ATOM 0 HD3 LYS A 99 -6.409 -2.807 -15.633 1.00 33.01 H new ATOM 0 HE2 LYS A 99 -4.337 -1.551 -14.228 1.00 42.33 H new ATOM 0 HE3 LYS A 99 -5.052 -2.613 -13.032 1.00 42.33 H new ATOM 0 HZ1 LYS A 99 -3.316 -3.733 -14.271 1.00 52.23 H new ATOM 0 HZ2 LYS A 99 -4.815 -4.470 -14.578 1.00 52.23 H new ATOM 0 HZ3 LYS A 99 -4.121 -3.441 -15.737 1.00 52.23 H new ATOM 1602 N GLU A 100 -9.351 -0.150 -12.171 1.00 23.01 N ATOM 1603 CA GLU A 100 -10.515 -0.980 -11.885 1.00 21.12 C ATOM 1604 C GLU A 100 -11.806 -0.242 -12.226 1.00 73.34 C ATOM 1605 O GLU A 100 -12.838 -0.861 -12.484 1.00 11.04 O ATOM 1606 CB GLU A 100 -10.525 -1.393 -10.412 1.00 21.15 C ATOM 1607 CG GLU A 100 -9.178 -1.883 -9.908 1.00 21.23 C ATOM 1608 CD GLU A 100 -8.687 -3.109 -10.653 1.00 42.24 C ATOM 1609 OE1 GLU A 100 -9.535 -3.882 -11.146 1.00 21.34 O ATOM 1610 OE2 GLU A 100 -7.455 -3.295 -10.745 1.00 15.33 O ATOM 0 H GLU A 100 -8.880 0.216 -11.344 1.00 23.01 H new ATOM 0 HA GLU A 100 -10.453 -1.874 -12.505 1.00 21.12 H new ATOM 0 HB2 GLU A 100 -10.843 -0.543 -9.807 1.00 21.15 H new ATOM 0 HB3 GLU A 100 -11.265 -2.180 -10.269 1.00 21.15 H new ATOM 0 HG2 GLU A 100 -8.444 -1.083 -10.008 1.00 21.23 H new ATOM 0 HG3 GLU A 100 -9.254 -2.114 -8.846 1.00 21.23 H new ATOM 1617 N GLY A 101 -11.740 1.086 -12.226 1.00 33.31 N ATOM 1618 CA GLY A 101 -12.910 1.887 -12.536 1.00 71.31 C ATOM 1619 C GLY A 101 -13.713 2.243 -11.301 1.00 3.43 C ATOM 1620 O GLY A 101 -14.646 3.043 -11.368 1.00 25.50 O ATOM 0 H GLY A 101 -10.897 1.621 -12.017 1.00 33.31 H new ATOM 0 HA2 GLY A 101 -12.597 2.802 -13.038 1.00 71.31 H new ATOM 0 HA3 GLY A 101 -13.545 1.342 -13.234 1.00 71.31 H new ATOM 1624 N ASN A 102 -13.350 1.648 -10.169 1.00 74.22 N ATOM 1625 CA ASN A 102 -14.045 1.906 -8.913 1.00 74.42 C ATOM 1626 C ASN A 102 -13.051 2.139 -7.779 1.00 75.24 C ATOM 1627 O ASN A 102 -12.192 1.299 -7.510 1.00 31.53 O ATOM 1628 CB ASN A 102 -14.966 0.734 -8.566 1.00 54.12 C ATOM 1629 CG ASN A 102 -16.247 1.186 -7.890 1.00 63.24 C ATOM 1630 OD1 ASN A 102 -17.206 1.580 -8.554 1.00 11.14 O ATOM 1631 ND2 ASN A 102 -16.267 1.130 -6.564 1.00 3.42 N ATOM 0 H ASN A 102 -12.579 0.984 -10.096 1.00 74.22 H new ATOM 0 HA ASN A 102 -14.645 2.807 -9.037 1.00 74.42 H new ATOM 0 HB2 ASN A 102 -15.212 0.187 -9.476 1.00 54.12 H new ATOM 0 HB3 ASN A 102 -14.437 0.042 -7.911 1.00 54.12 H new ATOM 0 HD21 ASN A 102 -17.101 1.421 -6.054 1.00 3.42 H new ATOM 0 HD22 ASN A 102 -15.448 0.796 -6.055 1.00 3.42 H new ATOM 1638 N LEU A 103 -13.175 3.284 -7.118 1.00 41.33 N ATOM 1639 CA LEU A 103 -12.288 3.629 -6.012 1.00 72.23 C ATOM 1640 C LEU A 103 -12.981 3.411 -4.671 1.00 1.31 C ATOM 1641 O LEU A 103 -14.084 3.909 -4.442 1.00 10.13 O ATOM 1642 CB LEU A 103 -11.831 5.084 -6.133 1.00 72.43 C ATOM 1643 CG LEU A 103 -11.141 5.464 -7.444 1.00 33.31 C ATOM 1644 CD1 LEU A 103 -10.587 6.878 -7.365 1.00 33.20 C ATOM 1645 CD2 LEU A 103 -10.034 4.472 -7.771 1.00 1.54 C ATOM 0 H LEU A 103 -13.881 3.990 -7.328 1.00 41.33 H new ATOM 0 HA LEU A 103 -11.416 2.976 -6.060 1.00 72.23 H new ATOM 0 HB2 LEU A 103 -12.700 5.729 -6.003 1.00 72.43 H new ATOM 0 HB3 LEU A 103 -11.149 5.299 -5.311 1.00 72.43 H new ATOM 0 HG LEU A 103 -11.880 5.430 -8.245 1.00 33.31 H new ATOM 0 HD11 LEU A 103 -10.100 7.131 -8.307 1.00 33.20 H new ATOM 0 HD12 LEU A 103 -11.401 7.578 -7.178 1.00 33.20 H new ATOM 0 HD13 LEU A 103 -9.862 6.940 -6.553 1.00 33.20 H new ATOM 0 HD21 LEU A 103 -9.554 4.758 -8.707 1.00 1.54 H new ATOM 0 HD22 LEU A 103 -9.296 4.474 -6.969 1.00 1.54 H new ATOM 0 HD23 LEU A 103 -10.459 3.473 -7.871 1.00 1.54 H new ATOM 1657 N LEU A 104 -12.326 2.667 -3.787 1.00 31.22 N ATOM 1658 CA LEU A 104 -12.878 2.385 -2.466 1.00 24.00 C ATOM 1659 C LEU A 104 -12.511 3.486 -1.476 1.00 52.45 C ATOM 1660 O LEU A 104 -13.233 3.731 -0.510 1.00 41.43 O ATOM 1661 CB LEU A 104 -12.368 1.036 -1.956 1.00 74.43 C ATOM 1662 CG LEU A 104 -12.947 0.560 -0.624 1.00 34.45 C ATOM 1663 CD1 LEU A 104 -14.365 0.043 -0.812 1.00 33.23 C ATOM 1664 CD2 LEU A 104 -12.062 -0.516 -0.011 1.00 74.44 C ATOM 0 H LEU A 104 -11.412 2.248 -3.960 1.00 31.22 H new ATOM 0 HA LEU A 104 -13.964 2.347 -2.554 1.00 24.00 H new ATOM 0 HB2 LEU A 104 -12.580 0.280 -2.712 1.00 74.43 H new ATOM 0 HB3 LEU A 104 -11.284 1.093 -1.858 1.00 74.43 H new ATOM 0 HG LEU A 104 -12.979 1.408 0.059 1.00 34.45 H new ATOM 0 HD11 LEU A 104 -14.760 -0.291 0.147 1.00 33.23 H new ATOM 0 HD12 LEU A 104 -14.994 0.841 -1.205 1.00 33.23 H new ATOM 0 HD13 LEU A 104 -14.358 -0.792 -1.513 1.00 33.23 H new ATOM 0 HD21 LEU A 104 -12.490 -0.843 0.937 1.00 74.44 H new ATOM 0 HD22 LEU A 104 -11.997 -1.365 -0.692 1.00 74.44 H new ATOM 0 HD23 LEU A 104 -11.064 -0.112 0.161 1.00 74.44 H new ATOM 1676 N MET A 105 -11.386 4.149 -1.726 1.00 32.51 N ATOM 1677 CA MET A 105 -10.926 5.227 -0.858 1.00 71.34 C ATOM 1678 C MET A 105 -9.985 6.164 -1.608 1.00 61.15 C ATOM 1679 O MET A 105 -9.118 5.717 -2.358 1.00 62.33 O ATOM 1680 CB MET A 105 -10.220 4.654 0.372 1.00 34.12 C ATOM 1681 CG MET A 105 -9.264 5.632 1.035 1.00 50.33 C ATOM 1682 SD MET A 105 -9.189 5.426 2.824 1.00 3.13 S ATOM 1683 CE MET A 105 -7.697 4.449 2.990 1.00 30.40 C ATOM 0 H MET A 105 -10.777 3.959 -2.522 1.00 32.51 H new ATOM 0 HA MET A 105 -11.797 5.797 -0.535 1.00 71.34 H new ATOM 0 HB2 MET A 105 -10.970 4.343 1.099 1.00 34.12 H new ATOM 0 HB3 MET A 105 -9.668 3.760 0.081 1.00 34.12 H new ATOM 0 HG2 MET A 105 -8.267 5.499 0.616 1.00 50.33 H new ATOM 0 HG3 MET A 105 -9.574 6.651 0.803 1.00 50.33 H new ATOM 0 HE1 MET A 105 -7.367 4.462 4.029 1.00 30.40 H new ATOM 0 HE2 MET A 105 -7.899 3.422 2.686 1.00 30.40 H new ATOM 0 HE3 MET A 105 -6.915 4.868 2.356 1.00 30.40 H new ATOM 1693 N GLU A 106 -10.163 7.465 -1.401 1.00 23.21 N ATOM 1694 CA GLU A 106 -9.329 8.464 -2.059 1.00 71.23 C ATOM 1695 C GLU A 106 -8.850 9.515 -1.062 1.00 64.14 C ATOM 1696 O GLU A 106 -9.620 10.374 -0.632 1.00 3.32 O ATOM 1697 CB GLU A 106 -10.102 9.137 -3.195 1.00 13.30 C ATOM 1698 CG GLU A 106 -9.209 9.792 -4.235 1.00 2.31 C ATOM 1699 CD GLU A 106 -9.936 10.843 -5.050 1.00 55.44 C ATOM 1700 OE1 GLU A 106 -11.181 10.902 -4.968 1.00 50.42 O ATOM 1701 OE2 GLU A 106 -9.260 11.607 -5.771 1.00 13.42 O ATOM 0 H GLU A 106 -10.877 7.852 -0.783 1.00 23.21 H new ATOM 0 HA GLU A 106 -8.457 7.957 -2.473 1.00 71.23 H new ATOM 0 HB2 GLU A 106 -10.731 8.394 -3.685 1.00 13.30 H new ATOM 0 HB3 GLU A 106 -10.768 9.890 -2.774 1.00 13.30 H new ATOM 0 HG2 GLU A 106 -8.354 10.251 -3.738 1.00 2.31 H new ATOM 0 HG3 GLU A 106 -8.815 9.027 -4.904 1.00 2.31 H new ATOM 1708 N CYS A 107 -7.574 9.439 -0.700 1.00 0.21 N ATOM 1709 CA CYS A 107 -6.991 10.383 0.247 1.00 30.25 C ATOM 1710 C CYS A 107 -5.555 10.724 -0.138 1.00 73.53 C ATOM 1711 O CYS A 107 -5.011 10.173 -1.094 1.00 71.23 O ATOM 1712 CB CYS A 107 -7.028 9.805 1.663 1.00 52.00 C ATOM 1713 SG CYS A 107 -8.695 9.484 2.286 1.00 71.34 S ATOM 0 H CYS A 107 -6.924 8.734 -1.048 1.00 0.21 H new ATOM 0 HA CYS A 107 -7.582 11.298 0.220 1.00 30.25 H new ATOM 0 HB2 CYS A 107 -6.460 8.875 1.679 1.00 52.00 H new ATOM 0 HB3 CYS A 107 -6.526 10.497 2.339 1.00 52.00 H new ATOM 0 HG CYS A 107 -9.570 9.890 1.414 1.00 71.34 H new ATOM 1719 N GLY A 108 -4.947 11.637 0.612 1.00 12.42 N ATOM 1720 CA GLY A 108 -3.581 12.038 0.332 1.00 64.41 C ATOM 1721 C GLY A 108 -3.429 12.662 -1.041 1.00 73.10 C ATOM 1722 O GLY A 108 -4.414 12.861 -1.752 1.00 30.23 O ATOM 0 H GLY A 108 -5.376 12.107 1.409 1.00 12.42 H new ATOM 0 HA2 GLY A 108 -3.252 12.750 1.089 1.00 64.41 H new ATOM 0 HA3 GLY A 108 -2.928 11.168 0.407 1.00 64.41 H new