USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 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 Set 1.1: A 59 GLN :FLIP amide:sc= -4.49! C(o=-5.5!,f=-4.5!) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 14 HIS : no HE2:sc= -0.332 K(o=-0.33,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 24:sc= 0.185 USER MOD Single : A 22 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.5) USER MOD Single : A 23 ASN : amide:sc= -0.635 X(o=-0.64,f=-0.3) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -137:sc= -1.41 (180deg=-3.26!) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= 0.762 (180deg=0.314) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 15:sc= -1.14 USER MOD Single : A 57 HIS : no HE2:sc= -1.81 X(o=-1.8,f=-1.7) USER MOD Single : A 63 ASN : amide:sc= -1.45 K(o=-1.5,f=-4.8!) 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= -1.63 K(o=-1.6,f=-3.3) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 71 ASN : amide:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0248) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -0.0268 (180deg=-0.171) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot -100:sc= 0.763 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -0.538 X(o=-0.54,f=-0.35) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.855 F(o=-2.6!,f=-0.86) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 70:sc= 0.42 USER MOD Single : A 98 SER OG : rot -41:sc= 0.168 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc=-4.13e-05 X(o=-4.1e-05,f=-0.19) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.38 (180deg=-2.44) USER MOD Single : A 107 CYS SG : rot 1:sc= 0.189 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.587 -3.096 0.512 1.00 64.24 N ATOM 148 CA GLN A 12 15.594 -1.974 1.443 1.00 62.22 C ATOM 149 C GLN A 12 14.214 -1.331 1.530 1.00 21.14 C ATOM 150 O GLN A 12 13.367 -1.499 0.652 1.00 5.43 O ATOM 151 CB GLN A 12 16.629 -0.933 1.012 1.00 13.11 C ATOM 152 CG GLN A 12 18.017 -1.184 1.579 1.00 51.04 C ATOM 153 CD GLN A 12 19.074 -0.302 0.944 1.00 24.42 C ATOM 154 OE1 GLN A 12 18.786 0.477 0.036 1.00 52.32 O ATOM 155 NE2 GLN A 12 20.308 -0.421 1.420 1.00 22.15 N ATOM 0 HA GLN A 12 15.861 -2.354 2.429 1.00 62.22 H new ATOM 0 HB2 GLN A 12 16.687 -0.920 -0.076 1.00 13.11 H new ATOM 0 HB3 GLN A 12 16.291 0.055 1.325 1.00 13.11 H new ATOM 0 HG2 GLN A 12 18.003 -1.011 2.655 1.00 51.04 H new ATOM 0 HG3 GLN A 12 18.283 -2.230 1.428 1.00 51.04 H new ATOM 0 HE21 GLN A 12 20.502 -1.080 2.174 1.00 22.15 H new ATOM 0 HE22 GLN A 12 21.061 0.146 1.032 1.00 22.15 H new ATOM 164 N PRO A 13 13.980 -0.577 2.615 1.00 73.22 N ATOM 165 CA PRO A 13 12.703 0.106 2.843 1.00 42.42 C ATOM 166 C PRO A 13 12.482 1.261 1.872 1.00 44.14 C ATOM 167 O PRO A 13 13.437 1.877 1.396 1.00 21.04 O ATOM 168 CB PRO A 13 12.832 0.630 4.275 1.00 21.24 C ATOM 169 CG PRO A 13 14.299 0.767 4.498 1.00 33.32 C ATOM 170 CD PRO A 13 14.943 -0.334 3.702 1.00 41.25 C ATOM 0 HA PRO A 13 11.853 -0.559 2.692 1.00 42.42 H new ATOM 0 HB2 PRO A 13 12.323 1.586 4.394 1.00 21.24 H new ATOM 0 HB3 PRO A 13 12.386 -0.060 4.991 1.00 21.24 H new ATOM 0 HG2 PRO A 13 14.654 1.744 4.171 1.00 33.32 H new ATOM 0 HG3 PRO A 13 14.543 0.677 5.557 1.00 33.32 H new ATOM 0 HD2 PRO A 13 15.917 -0.034 3.316 1.00 41.25 H new ATOM 0 HD3 PRO A 13 15.101 -1.227 4.306 1.00 41.25 H new ATOM 178 N HIS A 14 11.218 1.550 1.581 1.00 50.32 N ATOM 179 CA HIS A 14 10.872 2.633 0.666 1.00 22.15 C ATOM 180 C HIS A 14 9.663 3.411 1.178 1.00 63.42 C ATOM 181 O HIS A 14 9.091 3.078 2.216 1.00 4.02 O ATOM 182 CB HIS A 14 10.583 2.078 -0.729 1.00 23.34 C ATOM 183 CG HIS A 14 11.790 1.506 -1.407 1.00 73.14 C ATOM 184 ND1 HIS A 14 12.198 0.200 -1.241 1.00 64.51 N ATOM 185 CD2 HIS A 14 12.677 2.071 -2.260 1.00 32.44 C ATOM 186 CE1 HIS A 14 13.286 -0.014 -1.960 1.00 73.23 C ATOM 187 NE2 HIS A 14 13.597 1.105 -2.588 1.00 54.43 N ATOM 0 H HIS A 14 10.416 1.050 1.965 1.00 50.32 H new ATOM 0 HA HIS A 14 11.722 3.313 0.609 1.00 22.15 H new ATOM 0 HB2 HIS A 14 9.819 1.305 -0.652 1.00 23.34 H new ATOM 0 HB3 HIS A 14 10.171 2.874 -1.349 1.00 23.34 H new ATOM 0 HD1 HIS A 14 11.733 -0.493 -0.655 1.00 64.51 H new ATOM 0 HD2 HIS A 14 12.664 3.091 -2.616 1.00 32.44 H new ATOM 0 HE1 HIS A 14 13.828 -0.946 -2.023 1.00 73.23 H new ATOM 195 N LYS A 15 9.279 4.449 0.442 1.00 25.44 N ATOM 196 CA LYS A 15 8.139 5.274 0.820 1.00 14.20 C ATOM 197 C LYS A 15 6.920 4.942 -0.035 1.00 12.10 C ATOM 198 O LYS A 15 5.976 5.728 -0.120 1.00 4.54 O ATOM 199 CB LYS A 15 8.487 6.758 0.676 1.00 34.44 C ATOM 200 CG LYS A 15 9.122 7.107 -0.658 1.00 70.23 C ATOM 201 CD LYS A 15 10.566 7.548 -0.490 1.00 23.31 C ATOM 202 CE LYS A 15 10.669 9.050 -0.274 1.00 70.13 C ATOM 203 NZ LYS A 15 11.079 9.762 -1.516 1.00 62.34 N ATOM 0 H LYS A 15 9.741 4.738 -0.420 1.00 25.44 H new ATOM 0 HA LYS A 15 7.899 5.063 1.862 1.00 14.20 H new ATOM 0 HB2 LYS A 15 7.580 7.349 0.803 1.00 34.44 H new ATOM 0 HB3 LYS A 15 9.168 7.042 1.478 1.00 34.44 H new ATOM 0 HG2 LYS A 15 9.080 6.242 -1.320 1.00 70.23 H new ATOM 0 HG3 LYS A 15 8.551 7.903 -1.137 1.00 70.23 H new ATOM 0 HD2 LYS A 15 11.011 7.026 0.358 1.00 23.31 H new ATOM 0 HD3 LYS A 15 11.139 7.266 -1.374 1.00 23.31 H new ATOM 0 HE2 LYS A 15 9.707 9.435 0.065 1.00 70.13 H new ATOM 0 HE3 LYS A 15 11.391 9.255 0.517 1.00 70.13 H new ATOM 0 HZ1 LYS A 15 11.138 10.783 -1.327 1.00 62.34 H new ATOM 0 HZ2 LYS A 15 12.009 9.413 -1.825 1.00 62.34 H new ATOM 0 HZ3 LYS A 15 10.377 9.588 -2.264 1.00 62.34 H new ATOM 217 N ARG A 16 6.946 3.772 -0.666 1.00 1.54 N ATOM 218 CA ARG A 16 5.843 3.337 -1.513 1.00 60.25 C ATOM 219 C ARG A 16 5.608 1.836 -1.371 1.00 61.24 C ATOM 220 O ARG A 16 6.526 1.035 -1.547 1.00 23.34 O ATOM 221 CB ARG A 16 6.128 3.683 -2.976 1.00 64.00 C ATOM 222 CG ARG A 16 6.309 5.171 -3.226 1.00 14.44 C ATOM 223 CD ARG A 16 6.505 5.469 -4.704 1.00 31.40 C ATOM 224 NE ARG A 16 7.709 4.835 -5.234 1.00 41.14 N ATOM 225 CZ ARG A 16 8.066 4.889 -6.513 1.00 13.21 C ATOM 226 NH1 ARG A 16 7.314 5.545 -7.387 1.00 24.41 N ATOM 227 NH2 ARG A 16 9.176 4.287 -6.919 1.00 42.33 N ATOM 0 H ARG A 16 7.719 3.109 -0.606 1.00 1.54 H new ATOM 0 HA ARG A 16 4.943 3.861 -1.192 1.00 60.25 H new ATOM 0 HB2 ARG A 16 7.028 3.157 -3.296 1.00 64.00 H new ATOM 0 HB3 ARG A 16 5.308 3.317 -3.594 1.00 64.00 H new ATOM 0 HG2 ARG A 16 5.437 5.711 -2.858 1.00 14.44 H new ATOM 0 HG3 ARG A 16 7.170 5.533 -2.664 1.00 14.44 H new ATOM 0 HD2 ARG A 16 5.636 5.121 -5.263 1.00 31.40 H new ATOM 0 HD3 ARG A 16 6.568 6.547 -4.851 1.00 31.40 H new ATOM 0 HE ARG A 16 8.309 4.323 -4.587 1.00 41.14 H new ATOM 0 HH11 ARG A 16 6.460 6.009 -7.078 1.00 24.41 H new ATOM 0 HH12 ARG A 16 7.590 5.585 -8.368 1.00 24.41 H new ATOM 0 HH21 ARG A 16 9.756 3.782 -6.249 1.00 42.33 H new ATOM 0 HH22 ARG A 16 9.449 4.329 -7.901 1.00 42.33 H new ATOM 241 N TRP A 17 4.374 1.463 -1.053 1.00 11.22 N ATOM 242 CA TRP A 17 4.019 0.058 -0.887 1.00 13.44 C ATOM 243 C TRP A 17 2.563 -0.184 -1.269 1.00 12.10 C ATOM 244 O TRP A 17 1.677 0.585 -0.896 1.00 34.11 O ATOM 245 CB TRP A 17 4.260 -0.382 0.558 1.00 34.32 C ATOM 246 CG TRP A 17 5.711 -0.547 0.895 1.00 52.40 C ATOM 247 CD1 TRP A 17 6.532 0.388 1.458 1.00 64.13 C ATOM 248 CD2 TRP A 17 6.511 -1.715 0.688 1.00 25.43 C ATOM 249 NE1 TRP A 17 7.796 -0.130 1.613 1.00 12.42 N ATOM 250 CE2 TRP A 17 7.809 -1.419 1.150 1.00 52.52 C ATOM 251 CE3 TRP A 17 6.258 -2.984 0.160 1.00 24.34 C ATOM 252 CZ2 TRP A 17 8.847 -2.344 1.097 1.00 23.40 C ATOM 253 CZ3 TRP A 17 7.290 -3.902 0.108 1.00 3.05 C ATOM 254 CH2 TRP A 17 8.571 -3.579 0.575 1.00 4.12 C ATOM 0 H TRP A 17 3.602 2.113 -0.905 1.00 11.22 H new ATOM 0 HA TRP A 17 4.652 -0.532 -1.550 1.00 13.44 H new ATOM 0 HB2 TRP A 17 3.819 0.352 1.232 1.00 34.32 H new ATOM 0 HB3 TRP A 17 3.744 -1.326 0.734 1.00 34.32 H new ATOM 0 HD1 TRP A 17 6.233 1.387 1.740 1.00 64.13 H new ATOM 0 HE1 TRP A 17 8.595 0.365 2.009 1.00 12.42 H new ATOM 0 HE3 TRP A 17 5.274 -3.243 -0.201 1.00 24.34 H new ATOM 0 HZ2 TRP A 17 9.835 -2.096 1.455 1.00 23.40 H new ATOM 0 HZ3 TRP A 17 7.106 -4.885 -0.300 1.00 3.05 H new ATOM 0 HH2 TRP A 17 9.356 -4.319 0.522 1.00 4.12 H new ATOM 265 N VAL A 18 2.322 -1.257 -2.015 1.00 61.32 N ATOM 266 CA VAL A 18 0.973 -1.601 -2.447 1.00 34.31 C ATOM 267 C VAL A 18 0.453 -2.826 -1.702 1.00 14.40 C ATOM 268 O VAL A 18 1.226 -3.588 -1.123 1.00 24.41 O ATOM 269 CB VAL A 18 0.921 -1.875 -3.962 1.00 34.23 C ATOM 270 CG1 VAL A 18 1.377 -0.652 -4.742 1.00 2.23 C ATOM 271 CG2 VAL A 18 1.768 -3.089 -4.313 1.00 4.43 C ATOM 0 H VAL A 18 3.044 -1.903 -2.333 1.00 61.32 H new ATOM 0 HA VAL A 18 0.339 -0.744 -2.219 1.00 34.31 H new ATOM 0 HB VAL A 18 -0.111 -2.089 -4.240 1.00 34.23 H new ATOM 0 HG11 VAL A 18 1.333 -0.865 -5.810 1.00 2.23 H new ATOM 0 HG12 VAL A 18 0.724 0.190 -4.513 1.00 2.23 H new ATOM 0 HG13 VAL A 18 2.401 -0.403 -4.463 1.00 2.23 H new ATOM 0 HG21 VAL A 18 1.720 -3.268 -5.387 1.00 4.43 H new ATOM 0 HG22 VAL A 18 2.802 -2.907 -4.021 1.00 4.43 H new ATOM 0 HG23 VAL A 18 1.389 -3.963 -3.782 1.00 4.43 H new ATOM 281 N PHE A 19 -0.864 -3.008 -1.721 1.00 65.31 N ATOM 282 CA PHE A 19 -1.488 -4.140 -1.047 1.00 32.41 C ATOM 283 C PHE A 19 -2.563 -4.772 -1.927 1.00 12.23 C ATOM 284 O PHE A 19 -3.266 -4.079 -2.664 1.00 5.23 O ATOM 285 CB PHE A 19 -2.099 -3.695 0.284 1.00 64.33 C ATOM 286 CG PHE A 19 -3.004 -2.503 0.159 1.00 71.51 C ATOM 287 CD1 PHE A 19 -2.481 -1.222 0.103 1.00 4.14 C ATOM 288 CD2 PHE A 19 -4.379 -2.665 0.098 1.00 41.24 C ATOM 289 CE1 PHE A 19 -3.311 -0.123 -0.012 1.00 11.12 C ATOM 290 CE2 PHE A 19 -5.214 -1.570 -0.018 1.00 52.20 C ATOM 291 CZ PHE A 19 -4.680 -0.297 -0.072 1.00 22.35 C ATOM 0 H PHE A 19 -1.519 -2.386 -2.196 1.00 65.31 H new ATOM 0 HA PHE A 19 -0.717 -4.886 -0.854 1.00 32.41 H new ATOM 0 HB2 PHE A 19 -2.661 -4.525 0.712 1.00 64.33 H new ATOM 0 HB3 PHE A 19 -1.296 -3.460 0.983 1.00 64.33 H new ATOM 0 HD1 PHE A 19 -1.411 -1.080 0.150 1.00 4.14 H new ATOM 0 HD2 PHE A 19 -4.802 -3.658 0.142 1.00 41.24 H new ATOM 0 HE1 PHE A 19 -2.890 0.871 -0.055 1.00 11.12 H new ATOM 0 HE2 PHE A 19 -6.284 -1.709 -0.066 1.00 52.20 H new ATOM 0 HZ PHE A 19 -5.331 0.560 -0.161 1.00 22.35 H new ATOM 301 N THR A 20 -2.686 -6.093 -1.845 1.00 20.03 N ATOM 302 CA THR A 20 -3.673 -6.819 -2.633 1.00 70.35 C ATOM 303 C THR A 20 -4.150 -8.069 -1.902 1.00 64.13 C ATOM 304 O THR A 20 -3.342 -8.879 -1.445 1.00 32.04 O ATOM 305 CB THR A 20 -3.106 -7.227 -4.006 1.00 44.44 C ATOM 306 OG1 THR A 20 -2.059 -8.189 -3.838 1.00 32.41 O ATOM 307 CG2 THR A 20 -2.570 -6.014 -4.752 1.00 53.41 C ATOM 0 H THR A 20 -2.114 -6.682 -1.240 1.00 20.03 H new ATOM 0 HA THR A 20 -4.516 -6.144 -2.782 1.00 70.35 H new ATOM 0 HB THR A 20 -3.913 -7.667 -4.591 1.00 44.44 H new ATOM 0 HG1 THR A 20 -2.178 -8.657 -2.985 1.00 32.41 H new ATOM 0 HG21 THR A 20 -2.175 -6.327 -5.719 1.00 53.41 H new ATOM 0 HG22 THR A 20 -3.375 -5.295 -4.904 1.00 53.41 H new ATOM 0 HG23 THR A 20 -1.775 -5.550 -4.168 1.00 53.41 H new ATOM 315 N LEU A 21 -5.465 -8.221 -1.796 1.00 10.02 N ATOM 316 CA LEU A 21 -6.050 -9.374 -1.120 1.00 61.12 C ATOM 317 C LEU A 21 -7.279 -9.878 -1.869 1.00 73.31 C ATOM 318 O LEU A 21 -8.110 -9.091 -2.320 1.00 1.43 O ATOM 319 CB LEU A 21 -6.428 -9.011 0.317 1.00 45.51 C ATOM 320 CG LEU A 21 -6.939 -10.159 1.188 1.00 44.15 C ATOM 321 CD1 LEU A 21 -5.883 -10.570 2.202 1.00 30.31 C ATOM 322 CD2 LEU A 21 -8.230 -9.763 1.889 1.00 5.42 C ATOM 0 H LEU A 21 -6.147 -7.561 -2.169 1.00 10.02 H new ATOM 0 HA LEU A 21 -5.305 -10.170 -1.103 1.00 61.12 H new ATOM 0 HB2 LEU A 21 -5.555 -8.575 0.802 1.00 45.51 H new ATOM 0 HB3 LEU A 21 -7.195 -8.237 0.285 1.00 45.51 H new ATOM 0 HG LEU A 21 -7.147 -11.014 0.544 1.00 44.15 H new ATOM 0 HD11 LEU A 21 -6.264 -11.388 2.813 1.00 30.31 H new ATOM 0 HD12 LEU A 21 -4.984 -10.896 1.679 1.00 30.31 H new ATOM 0 HD13 LEU A 21 -5.643 -9.721 2.842 1.00 30.31 H new ATOM 0 HD21 LEU A 21 -8.579 -10.592 2.504 1.00 5.42 H new ATOM 0 HD22 LEU A 21 -8.049 -8.893 2.521 1.00 5.42 H new ATOM 0 HD23 LEU A 21 -8.988 -9.519 1.145 1.00 5.42 H new ATOM 334 N ASN A 22 -7.389 -11.197 -1.996 1.00 50.31 N ATOM 335 CA ASN A 22 -8.518 -11.806 -2.689 1.00 33.51 C ATOM 336 C ASN A 22 -9.717 -11.948 -1.756 1.00 21.13 C ATOM 337 O ASN A 22 -9.580 -12.387 -0.615 1.00 5.02 O ATOM 338 CB ASN A 22 -8.124 -13.177 -3.242 1.00 61.35 C ATOM 339 CG ASN A 22 -8.153 -14.260 -2.181 1.00 11.32 C ATOM 340 OD1 ASN A 22 -7.515 -14.137 -1.135 1.00 42.33 O ATOM 341 ND2 ASN A 22 -8.896 -15.328 -2.445 1.00 53.15 N ATOM 0 H ASN A 22 -6.710 -11.864 -1.628 1.00 50.31 H new ATOM 0 HA ASN A 22 -8.799 -11.154 -3.516 1.00 33.51 H new ATOM 0 HB2 ASN A 22 -8.802 -13.447 -4.052 1.00 61.35 H new ATOM 0 HB3 ASN A 22 -7.123 -13.119 -3.670 1.00 61.35 H new ATOM 0 HD21 ASN A 22 -8.955 -16.089 -1.768 1.00 53.15 H new ATOM 0 HD22 ASN A 22 -9.408 -15.388 -3.325 1.00 53.15 H new ATOM 348 N ASN A 23 -10.892 -11.574 -2.250 1.00 54.52 N ATOM 349 CA ASN A 23 -12.116 -11.659 -1.461 1.00 2.31 C ATOM 350 C ASN A 23 -11.937 -10.982 -0.105 1.00 42.24 C ATOM 351 O ASN A 23 -11.957 -11.624 0.945 1.00 60.33 O ATOM 352 CB ASN A 23 -12.519 -13.121 -1.264 1.00 34.32 C ATOM 353 CG ASN A 23 -13.771 -13.267 -0.421 1.00 15.04 C ATOM 354 OD1 ASN A 23 -13.830 -14.100 0.484 1.00 15.43 O ATOM 355 ND2 ASN A 23 -14.780 -12.455 -0.715 1.00 35.41 N ATOM 0 H ASN A 23 -11.023 -11.209 -3.193 1.00 54.52 H new ATOM 0 HA ASN A 23 -12.906 -11.141 -2.004 1.00 2.31 H new ATOM 0 HB2 ASN A 23 -12.683 -13.584 -2.237 1.00 34.32 H new ATOM 0 HB3 ASN A 23 -11.699 -13.660 -0.789 1.00 34.32 H new ATOM 0 HD21 ASN A 23 -15.648 -12.507 -0.182 1.00 35.41 H new ATOM 0 HD22 ASN A 23 -14.687 -11.780 -1.474 1.00 35.41 H new ATOM 362 N PRO A 24 -11.758 -9.653 -0.127 1.00 0.32 N ATOM 363 CA PRO A 24 -11.573 -8.859 1.092 1.00 72.12 C ATOM 364 C PRO A 24 -12.847 -8.773 1.926 1.00 2.20 C ATOM 365 O PRO A 24 -13.947 -8.655 1.386 1.00 21.34 O ATOM 366 CB PRO A 24 -11.188 -7.477 0.560 1.00 42.53 C ATOM 367 CG PRO A 24 -11.779 -7.418 -0.807 1.00 21.24 C ATOM 368 CD PRO A 24 -11.723 -8.822 -1.342 1.00 61.12 C ATOM 0 HA PRO A 24 -10.828 -9.298 1.755 1.00 72.12 H new ATOM 0 HB2 PRO A 24 -11.582 -6.684 1.196 1.00 42.53 H new ATOM 0 HB3 PRO A 24 -10.106 -7.352 0.529 1.00 42.53 H new ATOM 0 HG2 PRO A 24 -12.806 -7.054 -0.773 1.00 21.24 H new ATOM 0 HG3 PRO A 24 -11.219 -6.734 -1.445 1.00 21.24 H new ATOM 0 HD2 PRO A 24 -12.566 -9.035 -1.999 1.00 61.12 H new ATOM 0 HD3 PRO A 24 -10.816 -8.995 -1.921 1.00 61.12 H new ATOM 376 N SER A 25 -12.690 -8.831 3.245 1.00 71.34 N ATOM 377 CA SER A 25 -13.828 -8.763 4.153 1.00 34.04 C ATOM 378 C SER A 25 -14.098 -7.323 4.579 1.00 52.00 C ATOM 379 O SER A 25 -13.213 -6.471 4.517 1.00 51.53 O ATOM 380 CB SER A 25 -13.576 -9.633 5.387 1.00 53.53 C ATOM 381 OG SER A 25 -13.322 -10.977 5.019 1.00 22.33 O ATOM 0 H SER A 25 -11.786 -8.925 3.708 1.00 71.34 H new ATOM 0 HA SER A 25 -14.705 -9.138 3.625 1.00 34.04 H new ATOM 0 HB2 SER A 25 -12.728 -9.239 5.947 1.00 53.53 H new ATOM 0 HB3 SER A 25 -14.441 -9.591 6.049 1.00 53.53 H new ATOM 0 HG SER A 25 -13.162 -11.512 5.824 1.00 22.33 H new ATOM 387 N GLU A 26 -15.328 -7.061 5.011 1.00 3.33 N ATOM 388 CA GLU A 26 -15.715 -5.724 5.446 1.00 3.24 C ATOM 389 C GLU A 26 -14.823 -5.243 6.587 1.00 24.54 C ATOM 390 O GLU A 26 -14.584 -4.045 6.741 1.00 35.42 O ATOM 391 CB GLU A 26 -17.179 -5.712 5.890 1.00 52.33 C ATOM 392 CG GLU A 26 -17.495 -6.726 6.976 1.00 61.44 C ATOM 393 CD GLU A 26 -18.961 -7.111 7.006 1.00 73.52 C ATOM 394 OE1 GLU A 26 -19.811 -6.202 7.114 1.00 64.13 O ATOM 395 OE2 GLU A 26 -19.260 -8.321 6.922 1.00 65.01 O ATOM 0 H GLU A 26 -16.072 -7.756 5.069 1.00 3.33 H new ATOM 0 HA GLU A 26 -15.593 -5.046 4.601 1.00 3.24 H new ATOM 0 HB2 GLU A 26 -17.432 -4.715 6.251 1.00 52.33 H new ATOM 0 HB3 GLU A 26 -17.813 -5.909 5.026 1.00 52.33 H new ATOM 0 HG2 GLU A 26 -16.892 -7.620 6.820 1.00 61.44 H new ATOM 0 HG3 GLU A 26 -17.211 -6.315 7.945 1.00 61.44 H new ATOM 402 N ASP A 27 -14.333 -6.186 7.385 1.00 60.53 N ATOM 403 CA ASP A 27 -13.467 -5.861 8.512 1.00 43.12 C ATOM 404 C ASP A 27 -12.085 -5.433 8.029 1.00 45.42 C ATOM 405 O ASP A 27 -11.559 -4.405 8.456 1.00 24.40 O ATOM 406 CB ASP A 27 -13.343 -7.062 9.451 1.00 40.30 C ATOM 407 CG ASP A 27 -12.216 -6.900 10.452 1.00 14.34 C ATOM 408 OD1 ASP A 27 -12.086 -5.798 11.027 1.00 72.14 O ATOM 409 OD2 ASP A 27 -11.465 -7.875 10.663 1.00 53.23 O ATOM 0 H ASP A 27 -14.521 -7.182 7.272 1.00 60.53 H new ATOM 0 HA ASP A 27 -13.916 -5.030 9.056 1.00 43.12 H new ATOM 0 HB2 ASP A 27 -14.283 -7.200 9.986 1.00 40.30 H new ATOM 0 HB3 ASP A 27 -13.175 -7.964 8.862 1.00 40.30 H new ATOM 414 N GLU A 28 -11.502 -6.228 7.137 1.00 51.11 N ATOM 415 CA GLU A 28 -10.180 -5.931 6.598 1.00 70.00 C ATOM 416 C GLU A 28 -10.198 -4.633 5.796 1.00 74.13 C ATOM 417 O GLU A 28 -9.333 -3.774 5.966 1.00 53.34 O ATOM 418 CB GLU A 28 -9.695 -7.082 5.715 1.00 65.51 C ATOM 419 CG GLU A 28 -8.321 -7.606 6.098 1.00 24.04 C ATOM 420 CD GLU A 28 -8.388 -8.749 7.092 1.00 34.23 C ATOM 421 OE1 GLU A 28 -9.129 -8.624 8.090 1.00 2.53 O ATOM 422 OE2 GLU A 28 -7.702 -9.769 6.873 1.00 44.42 O ATOM 0 H GLU A 28 -11.924 -7.082 6.773 1.00 51.11 H new ATOM 0 HA GLU A 28 -9.493 -5.810 7.436 1.00 70.00 H new ATOM 0 HB2 GLU A 28 -10.414 -7.899 5.770 1.00 65.51 H new ATOM 0 HB3 GLU A 28 -9.671 -6.748 4.678 1.00 65.51 H new ATOM 0 HG2 GLU A 28 -7.801 -7.940 5.200 1.00 24.04 H new ATOM 0 HG3 GLU A 28 -7.732 -6.793 6.524 1.00 24.04 H new ATOM 429 N ARG A 29 -11.190 -4.499 4.921 1.00 61.00 N ATOM 430 CA ARG A 29 -11.321 -3.308 4.091 1.00 45.31 C ATOM 431 C ARG A 29 -11.539 -2.067 4.951 1.00 1.34 C ATOM 432 O ARG A 29 -11.077 -0.976 4.616 1.00 54.33 O ATOM 433 CB ARG A 29 -12.481 -3.470 3.107 1.00 31.15 C ATOM 434 CG ARG A 29 -12.080 -4.121 1.794 1.00 43.22 C ATOM 435 CD ARG A 29 -13.278 -4.736 1.088 1.00 40.22 C ATOM 436 NE ARG A 29 -14.183 -3.719 0.560 1.00 53.15 N ATOM 437 CZ ARG A 29 -15.449 -3.959 0.235 1.00 1.32 C ATOM 438 NH1 ARG A 29 -15.956 -5.174 0.385 1.00 72.51 N ATOM 439 NH2 ARG A 29 -16.210 -2.981 -0.240 1.00 11.15 N ATOM 0 H ARG A 29 -11.914 -5.201 4.769 1.00 61.00 H new ATOM 0 HA ARG A 29 -10.394 -3.183 3.531 1.00 45.31 H new ATOM 0 HB2 ARG A 29 -13.263 -4.068 3.575 1.00 31.15 H new ATOM 0 HB3 ARG A 29 -12.910 -2.490 2.900 1.00 31.15 H new ATOM 0 HG2 ARG A 29 -11.616 -3.378 1.145 1.00 43.22 H new ATOM 0 HG3 ARG A 29 -11.332 -4.891 1.982 1.00 43.22 H new ATOM 0 HD2 ARG A 29 -12.932 -5.371 0.273 1.00 40.22 H new ATOM 0 HD3 ARG A 29 -13.819 -5.377 1.784 1.00 40.22 H new ATOM 0 HE ARG A 29 -13.824 -2.773 0.434 1.00 53.15 H new ATOM 0 HH11 ARG A 29 -15.374 -5.928 0.751 1.00 72.51 H new ATOM 0 HH12 ARG A 29 -16.928 -5.355 0.135 1.00 72.51 H new ATOM 0 HH21 ARG A 29 -15.823 -2.044 -0.356 1.00 11.15 H new ATOM 0 HH22 ARG A 29 -17.182 -3.166 -0.489 1.00 11.15 H new ATOM 453 N LYS A 30 -12.246 -2.241 6.063 1.00 50.32 N ATOM 454 CA LYS A 30 -12.526 -1.136 6.973 1.00 61.50 C ATOM 455 C LYS A 30 -11.259 -0.694 7.698 1.00 63.32 C ATOM 456 O LYS A 30 -11.047 0.496 7.930 1.00 11.12 O ATOM 457 CB LYS A 30 -13.592 -1.546 7.991 1.00 12.35 C ATOM 458 CG LYS A 30 -15.011 -1.243 7.541 1.00 30.44 C ATOM 459 CD LYS A 30 -16.021 -1.554 8.634 1.00 43.33 C ATOM 460 CE LYS A 30 -16.736 -2.870 8.373 1.00 34.34 C ATOM 461 NZ LYS A 30 -16.192 -3.973 9.213 1.00 21.02 N ATOM 0 H LYS A 30 -12.636 -3.137 6.356 1.00 50.32 H new ATOM 0 HA LYS A 30 -12.897 -0.297 6.384 1.00 61.50 H new ATOM 0 HB2 LYS A 30 -13.503 -2.614 8.188 1.00 12.35 H new ATOM 0 HB3 LYS A 30 -13.401 -1.031 8.932 1.00 12.35 H new ATOM 0 HG2 LYS A 30 -15.088 -0.192 7.261 1.00 30.44 H new ATOM 0 HG3 LYS A 30 -15.244 -1.828 6.651 1.00 30.44 H new ATOM 0 HD2 LYS A 30 -15.514 -1.599 9.598 1.00 43.33 H new ATOM 0 HD3 LYS A 30 -16.752 -0.748 8.696 1.00 43.33 H new ATOM 0 HE2 LYS A 30 -17.801 -2.751 8.575 1.00 34.34 H new ATOM 0 HE3 LYS A 30 -16.639 -3.134 7.320 1.00 34.34 H new ATOM 0 HZ1 LYS A 30 -16.090 -4.832 8.635 1.00 21.02 H new ATOM 0 HZ2 LYS A 30 -15.263 -3.697 9.589 1.00 21.02 H new ATOM 0 HZ3 LYS A 30 -16.843 -4.162 10.002 1.00 21.02 H new ATOM 475 N LYS A 31 -10.417 -1.660 8.052 1.00 75.03 N ATOM 476 CA LYS A 31 -9.169 -1.371 8.748 1.00 52.04 C ATOM 477 C LYS A 31 -8.257 -0.501 7.889 1.00 2.55 C ATOM 478 O LYS A 31 -7.779 0.542 8.336 1.00 4.55 O ATOM 479 CB LYS A 31 -8.453 -2.673 9.115 1.00 43.45 C ATOM 480 CG LYS A 31 -7.034 -2.465 9.616 1.00 60.43 C ATOM 481 CD LYS A 31 -6.377 -3.783 9.989 1.00 24.45 C ATOM 482 CE LYS A 31 -4.900 -3.793 9.626 1.00 42.44 C ATOM 483 NZ LYS A 31 -4.090 -2.975 10.572 1.00 74.54 N ATOM 0 H LYS A 31 -10.577 -2.650 7.868 1.00 75.03 H new ATOM 0 HA LYS A 31 -9.408 -0.825 9.661 1.00 52.04 H new ATOM 0 HB2 LYS A 31 -9.028 -3.191 9.883 1.00 43.45 H new ATOM 0 HB3 LYS A 31 -8.429 -3.324 8.241 1.00 43.45 H new ATOM 0 HG2 LYS A 31 -6.444 -1.968 8.846 1.00 60.43 H new ATOM 0 HG3 LYS A 31 -7.046 -1.805 10.483 1.00 60.43 H new ATOM 0 HD2 LYS A 31 -6.491 -3.957 11.059 1.00 24.45 H new ATOM 0 HD3 LYS A 31 -6.884 -4.601 9.477 1.00 24.45 H new ATOM 0 HE2 LYS A 31 -4.533 -4.819 9.627 1.00 42.44 H new ATOM 0 HE3 LYS A 31 -4.772 -3.410 8.614 1.00 42.44 H new ATOM 0 HZ1 LYS A 31 -3.222 -2.653 10.098 1.00 74.54 H new ATOM 0 HZ2 LYS A 31 -4.643 -2.149 10.879 1.00 74.54 H new ATOM 0 HZ3 LYS A 31 -3.838 -3.550 11.401 1.00 74.54 H new ATOM 497 N ILE A 32 -8.021 -0.935 6.656 1.00 0.11 N ATOM 498 CA ILE A 32 -7.168 -0.193 5.736 1.00 72.34 C ATOM 499 C ILE A 32 -7.803 1.139 5.350 1.00 23.24 C ATOM 500 O ILE A 32 -7.118 2.156 5.244 1.00 40.31 O ATOM 501 CB ILE A 32 -6.883 -1.002 4.456 1.00 32.34 C ATOM 502 CG1 ILE A 32 -5.815 -2.064 4.726 1.00 73.42 C ATOM 503 CG2 ILE A 32 -6.446 -0.077 3.331 1.00 45.20 C ATOM 504 CD1 ILE A 32 -5.618 -3.028 3.576 1.00 2.25 C ATOM 0 H ILE A 32 -8.408 -1.796 6.271 1.00 0.11 H new ATOM 0 HA ILE A 32 -6.228 -0.008 6.257 1.00 72.34 H new ATOM 0 HB ILE A 32 -7.800 -1.505 4.150 1.00 32.34 H new ATOM 0 HG12 ILE A 32 -4.868 -1.569 4.941 1.00 73.42 H new ATOM 0 HG13 ILE A 32 -6.091 -2.626 5.618 1.00 73.42 H new ATOM 0 HG21 ILE A 32 -6.248 -0.663 2.434 1.00 45.20 H new ATOM 0 HG22 ILE A 32 -7.236 0.645 3.126 1.00 45.20 H new ATOM 0 HG23 ILE A 32 -5.539 0.452 3.626 1.00 45.20 H new ATOM 0 HD11 ILE A 32 -4.847 -3.753 3.837 1.00 2.25 H new ATOM 0 HD12 ILE A 32 -6.553 -3.550 3.375 1.00 2.25 H new ATOM 0 HD13 ILE A 32 -5.312 -2.476 2.687 1.00 2.25 H new ATOM 516 N ARG A 33 -9.116 1.125 5.144 1.00 24.15 N ATOM 517 CA ARG A 33 -9.843 2.332 4.772 1.00 52.12 C ATOM 518 C ARG A 33 -9.930 3.300 5.949 1.00 71.44 C ATOM 519 O ARG A 33 -10.147 4.498 5.766 1.00 60.55 O ATOM 520 CB ARG A 33 -11.249 1.976 4.286 1.00 53.04 C ATOM 521 CG ARG A 33 -12.127 3.188 4.021 1.00 14.11 C ATOM 522 CD ARG A 33 -13.380 2.810 3.246 1.00 43.23 C ATOM 523 NE ARG A 33 -14.589 2.965 4.050 1.00 61.21 N ATOM 524 CZ ARG A 33 -15.170 4.136 4.286 1.00 23.11 C ATOM 525 NH1 ARG A 33 -14.655 5.249 3.782 1.00 63.32 N ATOM 526 NH2 ARG A 33 -16.268 4.195 5.028 1.00 54.42 N ATOM 0 H ARG A 33 -9.697 0.291 5.228 1.00 24.15 H new ATOM 0 HA ARG A 33 -9.298 2.819 3.963 1.00 52.12 H new ATOM 0 HB2 ARG A 33 -11.170 1.388 3.371 1.00 53.04 H new ATOM 0 HB3 ARG A 33 -11.732 1.344 5.031 1.00 53.04 H new ATOM 0 HG2 ARG A 33 -12.409 3.649 4.968 1.00 14.11 H new ATOM 0 HG3 ARG A 33 -11.562 3.932 3.460 1.00 14.11 H new ATOM 0 HD2 ARG A 33 -13.456 3.432 2.354 1.00 43.23 H new ATOM 0 HD3 ARG A 33 -13.299 1.777 2.908 1.00 43.23 H new ATOM 0 HE ARG A 33 -15.011 2.128 4.453 1.00 61.21 H new ATOM 0 HH11 ARG A 33 -13.811 5.207 3.211 1.00 63.32 H new ATOM 0 HH12 ARG A 33 -15.103 6.147 3.965 1.00 63.32 H new ATOM 0 HH21 ARG A 33 -16.667 3.341 5.418 1.00 54.42 H new ATOM 0 HH22 ARG A 33 -16.714 5.095 5.209 1.00 54.42 H new ATOM 540 N ASP A 34 -9.760 2.771 7.156 1.00 51.44 N ATOM 541 CA ASP A 34 -9.819 3.588 8.363 1.00 63.24 C ATOM 542 C ASP A 34 -8.417 3.946 8.845 1.00 45.22 C ATOM 543 O ASP A 34 -8.245 4.499 9.932 1.00 23.12 O ATOM 544 CB ASP A 34 -10.578 2.850 9.466 1.00 12.35 C ATOM 545 CG ASP A 34 -10.850 3.731 10.670 1.00 21.02 C ATOM 546 OD1 ASP A 34 -11.289 4.884 10.475 1.00 4.12 O ATOM 547 OD2 ASP A 34 -10.625 3.267 11.807 1.00 23.12 O ATOM 0 H ASP A 34 -9.580 1.781 7.325 1.00 51.44 H new ATOM 0 HA ASP A 34 -10.348 4.510 8.123 1.00 63.24 H new ATOM 0 HB2 ASP A 34 -11.523 2.481 9.068 1.00 12.35 H new ATOM 0 HB3 ASP A 34 -10.002 1.979 9.779 1.00 12.35 H new ATOM 552 N LEU A 35 -7.417 3.627 8.030 1.00 1.41 N ATOM 553 CA LEU A 35 -6.029 3.915 8.374 1.00 65.33 C ATOM 554 C LEU A 35 -5.786 5.419 8.447 1.00 62.20 C ATOM 555 O LEU A 35 -6.544 6.222 7.903 1.00 12.15 O ATOM 556 CB LEU A 35 -5.087 3.284 7.346 1.00 52.21 C ATOM 557 CG LEU A 35 -4.738 1.812 7.570 1.00 53.34 C ATOM 558 CD1 LEU A 35 -3.969 1.259 6.380 1.00 54.33 C ATOM 559 CD2 LEU A 35 -3.935 1.643 8.851 1.00 12.31 C ATOM 0 H LEU A 35 -7.542 3.169 7.127 1.00 1.41 H new ATOM 0 HA LEU A 35 -5.827 3.485 9.355 1.00 65.33 H new ATOM 0 HB2 LEU A 35 -5.539 3.383 6.359 1.00 52.21 H new ATOM 0 HB3 LEU A 35 -4.161 3.858 7.331 1.00 52.21 H new ATOM 0 HG LEU A 35 -5.666 1.250 7.670 1.00 53.34 H new ATOM 0 HD11 LEU A 35 -3.729 0.211 6.557 1.00 54.33 H new ATOM 0 HD12 LEU A 35 -4.579 1.345 5.481 1.00 54.33 H new ATOM 0 HD13 LEU A 35 -3.047 1.825 6.248 1.00 54.33 H new ATOM 0 HD21 LEU A 35 -3.696 0.589 8.994 1.00 12.31 H new ATOM 0 HD22 LEU A 35 -3.012 2.218 8.780 1.00 12.31 H new ATOM 0 HD23 LEU A 35 -4.521 2.000 9.698 1.00 12.31 H new ATOM 571 N PRO A 36 -4.702 5.811 9.133 1.00 20.21 N ATOM 572 CA PRO A 36 -4.332 7.221 9.291 1.00 33.53 C ATOM 573 C PRO A 36 -3.852 7.844 7.985 1.00 22.13 C ATOM 574 O PRO A 36 -2.864 7.398 7.401 1.00 41.43 O ATOM 575 CB PRO A 36 -3.194 7.176 10.313 1.00 3.13 C ATOM 576 CG PRO A 36 -2.609 5.813 10.170 1.00 12.33 C ATOM 577 CD PRO A 36 -3.754 4.908 9.807 1.00 45.02 C ATOM 0 HA PRO A 36 -5.179 7.833 9.602 1.00 33.53 H new ATOM 0 HB2 PRO A 36 -2.451 7.948 10.113 1.00 3.13 H new ATOM 0 HB3 PRO A 36 -3.564 7.344 11.325 1.00 3.13 H new ATOM 0 HG2 PRO A 36 -1.839 5.797 9.398 1.00 12.33 H new ATOM 0 HG3 PRO A 36 -2.136 5.492 11.098 1.00 12.33 H new ATOM 0 HD2 PRO A 36 -3.434 4.099 9.151 1.00 45.02 H new ATOM 0 HD3 PRO A 36 -4.197 4.446 10.690 1.00 45.02 H new ATOM 585 N ILE A 37 -4.556 8.876 7.534 1.00 50.24 N ATOM 586 CA ILE A 37 -4.199 9.561 6.297 1.00 14.13 C ATOM 587 C ILE A 37 -2.907 10.353 6.461 1.00 43.21 C ATOM 588 O ILE A 37 -2.122 10.482 5.521 1.00 54.11 O ATOM 589 CB ILE A 37 -5.318 10.515 5.839 1.00 14.13 C ATOM 590 CG1 ILE A 37 -5.764 11.408 6.999 1.00 21.13 C ATOM 591 CG2 ILE A 37 -6.496 9.725 5.290 1.00 73.54 C ATOM 592 CD1 ILE A 37 -6.706 12.516 6.582 1.00 64.30 C ATOM 0 H ILE A 37 -5.376 9.256 8.006 1.00 50.24 H new ATOM 0 HA ILE A 37 -4.057 8.791 5.539 1.00 14.13 H new ATOM 0 HB ILE A 37 -4.929 11.151 5.044 1.00 14.13 H new ATOM 0 HG12 ILE A 37 -6.252 10.792 7.754 1.00 21.13 H new ATOM 0 HG13 ILE A 37 -4.884 11.848 7.467 1.00 21.13 H new ATOM 0 HG21 ILE A 37 -7.278 10.413 4.971 1.00 73.54 H new ATOM 0 HG22 ILE A 37 -6.169 9.128 4.439 1.00 73.54 H new ATOM 0 HG23 ILE A 37 -6.886 9.067 6.066 1.00 73.54 H new ATOM 0 HD11 ILE A 37 -6.980 13.108 7.455 1.00 64.30 H new ATOM 0 HD12 ILE A 37 -6.214 13.156 5.850 1.00 64.30 H new ATOM 0 HD13 ILE A 37 -7.604 12.083 6.141 1.00 64.30 H new ATOM 604 N SER A 38 -2.690 10.881 7.662 1.00 73.24 N ATOM 605 CA SER A 38 -1.493 11.662 7.949 1.00 52.44 C ATOM 606 C SER A 38 -0.249 10.779 7.926 1.00 15.05 C ATOM 607 O SER A 38 0.874 11.271 7.813 1.00 41.01 O ATOM 608 CB SER A 38 -1.621 12.349 9.310 1.00 61.12 C ATOM 609 OG SER A 38 -1.774 13.750 9.162 1.00 24.01 O ATOM 0 H SER A 38 -3.328 10.782 8.452 1.00 73.24 H new ATOM 0 HA SER A 38 -1.391 12.422 7.175 1.00 52.44 H new ATOM 0 HB2 SER A 38 -2.477 11.941 9.847 1.00 61.12 H new ATOM 0 HB3 SER A 38 -0.737 12.138 9.912 1.00 61.12 H new ATOM 0 HG SER A 38 -1.855 14.165 10.046 1.00 24.01 H new ATOM 615 N LEU A 39 -0.458 9.472 8.036 1.00 73.30 N ATOM 616 CA LEU A 39 0.645 8.517 8.029 1.00 41.43 C ATOM 617 C LEU A 39 1.168 8.300 6.612 1.00 12.13 C ATOM 618 O LEU A 39 2.343 7.991 6.414 1.00 51.35 O ATOM 619 CB LEU A 39 0.196 7.184 8.629 1.00 1.01 C ATOM 620 CG LEU A 39 1.223 6.461 9.502 1.00 14.52 C ATOM 621 CD1 LEU A 39 0.540 5.792 10.685 1.00 63.31 C ATOM 622 CD2 LEU A 39 1.996 5.440 8.681 1.00 32.44 C ATOM 0 H LEU A 39 -1.381 9.049 8.131 1.00 73.30 H new ATOM 0 HA LEU A 39 1.452 8.927 8.636 1.00 41.43 H new ATOM 0 HB2 LEU A 39 -0.699 7.360 9.226 1.00 1.01 H new ATOM 0 HB3 LEU A 39 -0.090 6.520 7.814 1.00 1.01 H new ATOM 0 HG LEU A 39 1.929 7.197 9.886 1.00 14.52 H new ATOM 0 HD11 LEU A 39 1.286 5.282 11.295 1.00 63.31 H new ATOM 0 HD12 LEU A 39 0.033 6.546 11.287 1.00 63.31 H new ATOM 0 HD13 LEU A 39 -0.189 5.067 10.322 1.00 63.31 H new ATOM 0 HD21 LEU A 39 2.722 4.935 9.318 1.00 32.44 H new ATOM 0 HD22 LEU A 39 1.304 4.706 8.268 1.00 32.44 H new ATOM 0 HD23 LEU A 39 2.517 5.946 7.868 1.00 32.44 H new ATOM 634 N PHE A 40 0.288 8.465 5.631 1.00 54.35 N ATOM 635 CA PHE A 40 0.660 8.288 4.232 1.00 43.52 C ATOM 636 C PHE A 40 0.310 9.529 3.415 1.00 65.22 C ATOM 637 O PHE A 40 -0.862 9.863 3.244 1.00 32.52 O ATOM 638 CB PHE A 40 -0.043 7.063 3.646 1.00 72.34 C ATOM 639 CG PHE A 40 -0.117 5.902 4.596 1.00 3.12 C ATOM 640 CD1 PHE A 40 -1.169 5.788 5.491 1.00 65.11 C ATOM 641 CD2 PHE A 40 0.866 4.925 4.595 1.00 74.03 C ATOM 642 CE1 PHE A 40 -1.238 4.721 6.367 1.00 10.41 C ATOM 643 CE2 PHE A 40 0.801 3.856 5.468 1.00 22.23 C ATOM 644 CZ PHE A 40 -0.253 3.753 6.355 1.00 43.50 C ATOM 0 H PHE A 40 -0.688 8.721 5.779 1.00 54.35 H new ATOM 0 HA PHE A 40 1.738 8.136 4.185 1.00 43.52 H new ATOM 0 HB2 PHE A 40 -1.053 7.342 3.347 1.00 72.34 H new ATOM 0 HB3 PHE A 40 0.482 6.750 2.743 1.00 72.34 H new ATOM 0 HD1 PHE A 40 -1.943 6.541 5.504 1.00 65.11 H new ATOM 0 HD2 PHE A 40 1.692 5.000 3.904 1.00 74.03 H new ATOM 0 HE1 PHE A 40 -2.062 4.644 7.061 1.00 10.41 H new ATOM 0 HE2 PHE A 40 1.574 3.101 5.457 1.00 22.23 H new ATOM 0 HZ PHE A 40 -0.307 2.918 7.037 1.00 43.50 H new ATOM 654 N ASP A 41 1.336 10.208 2.913 1.00 61.43 N ATOM 655 CA ASP A 41 1.139 11.411 2.113 1.00 35.00 C ATOM 656 C ASP A 41 0.150 11.154 0.980 1.00 12.20 C ATOM 657 O ASP A 41 -0.565 12.060 0.549 1.00 22.51 O ATOM 658 CB ASP A 41 2.473 11.895 1.543 1.00 74.34 C ATOM 659 CG ASP A 41 3.302 12.645 2.566 1.00 12.30 C ATOM 660 OD1 ASP A 41 2.805 13.655 3.106 1.00 12.41 O ATOM 661 OD2 ASP A 41 4.448 12.223 2.826 1.00 2.14 O ATOM 0 H ASP A 41 2.313 9.946 3.046 1.00 61.43 H new ATOM 0 HA ASP A 41 0.728 12.185 2.761 1.00 35.00 H new ATOM 0 HB2 ASP A 41 3.040 11.039 1.177 1.00 74.34 H new ATOM 0 HB3 ASP A 41 2.285 12.543 0.687 1.00 74.34 H new ATOM 666 N TYR A 42 0.115 9.916 0.501 1.00 23.33 N ATOM 667 CA TYR A 42 -0.783 9.541 -0.584 1.00 60.52 C ATOM 668 C TYR A 42 -1.449 8.197 -0.301 1.00 3.42 C ATOM 669 O TYR A 42 -0.775 7.194 -0.066 1.00 4.34 O ATOM 670 CB TYR A 42 -0.018 9.474 -1.907 1.00 52.32 C ATOM 671 CG TYR A 42 -0.872 9.046 -3.079 1.00 60.03 C ATOM 672 CD1 TYR A 42 -2.211 9.410 -3.158 1.00 63.13 C ATOM 673 CD2 TYR A 42 -0.341 8.277 -4.107 1.00 23.30 C ATOM 674 CE1 TYR A 42 -2.995 9.020 -4.227 1.00 0.41 C ATOM 675 CE2 TYR A 42 -1.117 7.884 -5.180 1.00 21.10 C ATOM 676 CZ TYR A 42 -2.443 8.258 -5.235 1.00 74.03 C ATOM 677 OH TYR A 42 -3.220 7.867 -6.302 1.00 14.52 O ATOM 0 H TYR A 42 0.699 9.155 0.847 1.00 23.33 H new ATOM 0 HA TYR A 42 -1.559 10.303 -0.658 1.00 60.52 H new ATOM 0 HB2 TYR A 42 0.411 10.453 -2.119 1.00 52.32 H new ATOM 0 HB3 TYR A 42 0.814 8.778 -1.801 1.00 52.32 H new ATOM 0 HD1 TYR A 42 -2.646 10.008 -2.371 1.00 63.13 H new ATOM 0 HD2 TYR A 42 0.697 7.981 -4.066 1.00 23.30 H new ATOM 0 HE1 TYR A 42 -4.034 9.310 -4.273 1.00 0.41 H new ATOM 0 HE2 TYR A 42 -0.688 7.287 -5.971 1.00 21.10 H new ATOM 0 HH TYR A 42 -4.045 8.396 -6.317 1.00 14.52 H new ATOM 687 N PHE A 43 -2.777 8.186 -0.326 1.00 13.12 N ATOM 688 CA PHE A 43 -3.536 6.967 -0.072 1.00 14.24 C ATOM 689 C PHE A 43 -4.636 6.784 -1.114 1.00 22.23 C ATOM 690 O PHE A 43 -5.565 7.587 -1.198 1.00 74.04 O ATOM 691 CB PHE A 43 -4.148 7.005 1.330 1.00 12.24 C ATOM 692 CG PHE A 43 -4.165 5.668 2.014 1.00 71.35 C ATOM 693 CD1 PHE A 43 -4.140 4.497 1.273 1.00 33.45 C ATOM 694 CD2 PHE A 43 -4.206 5.582 3.396 1.00 73.52 C ATOM 695 CE1 PHE A 43 -4.155 3.264 1.899 1.00 53.10 C ATOM 696 CE2 PHE A 43 -4.221 4.352 4.027 1.00 71.02 C ATOM 697 CZ PHE A 43 -4.197 3.192 3.278 1.00 62.15 C ATOM 0 H PHE A 43 -3.350 9.007 -0.520 1.00 13.12 H new ATOM 0 HA PHE A 43 -2.851 6.122 -0.140 1.00 14.24 H new ATOM 0 HB2 PHE A 43 -3.587 7.711 1.943 1.00 12.24 H new ATOM 0 HB3 PHE A 43 -5.168 7.382 1.262 1.00 12.24 H new ATOM 0 HD1 PHE A 43 -4.108 4.548 0.195 1.00 33.45 H new ATOM 0 HD2 PHE A 43 -4.226 6.486 3.987 1.00 73.52 H new ATOM 0 HE1 PHE A 43 -4.134 2.359 1.311 1.00 53.10 H new ATOM 0 HE2 PHE A 43 -4.251 4.298 5.105 1.00 71.02 H new ATOM 0 HZ PHE A 43 -4.211 2.230 3.769 1.00 62.15 H new ATOM 707 N ILE A 44 -4.522 5.722 -1.905 1.00 3.33 N ATOM 708 CA ILE A 44 -5.505 5.433 -2.941 1.00 34.14 C ATOM 709 C ILE A 44 -5.849 3.947 -2.973 1.00 45.53 C ATOM 710 O ILE A 44 -4.988 3.106 -3.233 1.00 53.13 O ATOM 711 CB ILE A 44 -5.002 5.863 -4.331 1.00 63.31 C ATOM 712 CG1 ILE A 44 -5.942 5.344 -5.421 1.00 62.30 C ATOM 713 CG2 ILE A 44 -3.585 5.357 -4.561 1.00 13.11 C ATOM 714 CD1 ILE A 44 -6.209 6.350 -6.518 1.00 50.31 C ATOM 0 H ILE A 44 -3.759 5.048 -1.848 1.00 3.33 H new ATOM 0 HA ILE A 44 -6.400 6.005 -2.696 1.00 34.14 H new ATOM 0 HB ILE A 44 -4.990 6.952 -4.376 1.00 63.31 H new ATOM 0 HG12 ILE A 44 -5.513 4.444 -5.861 1.00 62.30 H new ATOM 0 HG13 ILE A 44 -6.889 5.055 -4.965 1.00 62.30 H new ATOM 0 HG21 ILE A 44 -3.243 5.669 -5.548 1.00 13.11 H new ATOM 0 HG22 ILE A 44 -2.923 5.770 -3.800 1.00 13.11 H new ATOM 0 HG23 ILE A 44 -3.573 4.269 -4.500 1.00 13.11 H new ATOM 0 HD11 ILE A 44 -6.883 5.914 -7.256 1.00 50.31 H new ATOM 0 HD12 ILE A 44 -6.667 7.242 -6.090 1.00 50.31 H new ATOM 0 HD13 ILE A 44 -5.270 6.621 -7.000 1.00 50.31 H new ATOM 726 N VAL A 45 -7.113 3.632 -2.709 1.00 65.35 N ATOM 727 CA VAL A 45 -7.571 2.248 -2.712 1.00 32.35 C ATOM 728 C VAL A 45 -8.710 2.047 -3.706 1.00 4.54 C ATOM 729 O VAL A 45 -9.574 2.910 -3.858 1.00 21.45 O ATOM 730 CB VAL A 45 -8.044 1.811 -1.312 1.00 65.11 C ATOM 731 CG1 VAL A 45 -8.072 0.294 -1.207 1.00 63.33 C ATOM 732 CG2 VAL A 45 -7.150 2.411 -0.237 1.00 51.32 C ATOM 0 H VAL A 45 -7.837 4.316 -2.491 1.00 65.35 H new ATOM 0 HA VAL A 45 -6.721 1.634 -3.009 1.00 32.35 H new ATOM 0 HB VAL A 45 -9.058 2.181 -1.158 1.00 65.11 H new ATOM 0 HG11 VAL A 45 -8.408 0.004 -0.211 1.00 63.33 H new ATOM 0 HG12 VAL A 45 -8.756 -0.110 -1.953 1.00 63.33 H new ATOM 0 HG13 VAL A 45 -7.071 -0.101 -1.381 1.00 63.33 H new ATOM 0 HG21 VAL A 45 -7.498 2.092 0.745 1.00 51.32 H new ATOM 0 HG22 VAL A 45 -6.125 2.073 -0.386 1.00 51.32 H new ATOM 0 HG23 VAL A 45 -7.186 3.499 -0.299 1.00 51.32 H new ATOM 742 N GLY A 46 -8.704 0.902 -4.381 1.00 43.22 N ATOM 743 CA GLY A 46 -9.741 0.609 -5.353 1.00 31.44 C ATOM 744 C GLY A 46 -10.306 -0.789 -5.193 1.00 64.14 C ATOM 745 O GLY A 46 -9.563 -1.742 -4.961 1.00 63.10 O ATOM 0 H GLY A 46 -8.000 0.172 -4.272 1.00 43.22 H new ATOM 0 HA2 GLY A 46 -10.546 1.337 -5.252 1.00 31.44 H new ATOM 0 HA3 GLY A 46 -9.335 0.721 -6.358 1.00 31.44 H new ATOM 749 N GLU A 47 -11.624 -0.911 -5.317 1.00 64.22 N ATOM 750 CA GLU A 47 -12.286 -2.203 -5.183 1.00 34.03 C ATOM 751 C GLU A 47 -12.764 -2.713 -6.539 1.00 71.22 C ATOM 752 O GLU A 47 -13.357 -1.969 -7.319 1.00 70.14 O ATOM 753 CB GLU A 47 -13.471 -2.096 -4.220 1.00 1.30 C ATOM 754 CG GLU A 47 -14.347 -3.337 -4.192 1.00 23.12 C ATOM 755 CD GLU A 47 -15.416 -3.321 -5.267 1.00 63.40 C ATOM 756 OE1 GLU A 47 -16.433 -2.621 -5.083 1.00 30.21 O ATOM 757 OE2 GLU A 47 -15.234 -4.010 -6.293 1.00 52.22 O ATOM 0 H GLU A 47 -12.253 -0.132 -5.510 1.00 64.22 H new ATOM 0 HA GLU A 47 -11.563 -2.913 -4.782 1.00 34.03 H new ATOM 0 HB2 GLU A 47 -13.095 -1.904 -3.215 1.00 1.30 H new ATOM 0 HB3 GLU A 47 -14.081 -1.238 -4.502 1.00 1.30 H new ATOM 0 HG2 GLU A 47 -13.722 -4.221 -4.319 1.00 23.12 H new ATOM 0 HG3 GLU A 47 -14.822 -3.420 -3.214 1.00 23.12 H new ATOM 875 N PRO A 56 -15.048 -10.406 -4.930 1.00 51.44 N ATOM 876 CA PRO A 56 -14.346 -9.124 -5.046 1.00 55.34 C ATOM 877 C PRO A 56 -12.870 -9.236 -4.683 1.00 62.20 C ATOM 878 O PRO A 56 -12.448 -10.203 -4.047 1.00 74.13 O ATOM 879 CB PRO A 56 -15.077 -8.227 -4.044 1.00 32.45 C ATOM 880 CG PRO A 56 -15.654 -9.169 -3.044 1.00 23.34 C ATOM 881 CD PRO A 56 -15.995 -10.421 -3.803 1.00 31.51 C ATOM 0 HA PRO A 56 -14.359 -8.744 -6.067 1.00 55.34 H new ATOM 0 HB2 PRO A 56 -14.394 -7.520 -3.574 1.00 32.45 H new ATOM 0 HB3 PRO A 56 -15.856 -7.641 -4.532 1.00 32.45 H new ATOM 0 HG2 PRO A 56 -14.940 -9.378 -2.247 1.00 23.34 H new ATOM 0 HG3 PRO A 56 -16.541 -8.744 -2.574 1.00 23.34 H new ATOM 0 HD2 PRO A 56 -15.871 -11.311 -3.186 1.00 31.51 H new ATOM 0 HD3 PRO A 56 -17.029 -10.413 -4.147 1.00 31.51 H new ATOM 889 N HIS A 57 -12.087 -8.241 -5.090 1.00 35.50 N ATOM 890 CA HIS A 57 -10.657 -8.229 -4.806 1.00 1.32 C ATOM 891 C HIS A 57 -10.188 -6.823 -4.443 1.00 45.02 C ATOM 892 O HIS A 57 -10.603 -5.840 -5.059 1.00 34.35 O ATOM 893 CB HIS A 57 -9.871 -8.746 -6.011 1.00 74.22 C ATOM 894 CG HIS A 57 -8.398 -8.491 -5.920 1.00 73.54 C ATOM 895 ND1 HIS A 57 -7.750 -7.542 -6.682 1.00 73.33 N ATOM 896 CD2 HIS A 57 -7.446 -9.067 -5.150 1.00 31.42 C ATOM 897 CE1 HIS A 57 -6.463 -7.547 -6.386 1.00 0.44 C ATOM 898 NE2 HIS A 57 -6.252 -8.463 -5.458 1.00 13.12 N ATOM 0 H HIS A 57 -12.419 -7.433 -5.617 1.00 35.50 H new ATOM 0 HA HIS A 57 -10.475 -8.886 -3.955 1.00 1.32 H new ATOM 0 HB2 HIS A 57 -10.040 -9.818 -6.112 1.00 74.22 H new ATOM 0 HB3 HIS A 57 -10.258 -8.276 -6.915 1.00 74.22 H new ATOM 0 HD1 HIS A 57 -8.195 -6.932 -7.367 1.00 73.33 H new ATOM 0 HD2 HIS A 57 -7.597 -9.855 -4.427 1.00 31.42 H new ATOM 0 HE1 HIS A 57 -5.711 -6.910 -6.828 1.00 0.44 H new ATOM 906 N LEU A 58 -9.320 -6.734 -3.441 1.00 32.30 N ATOM 907 CA LEU A 58 -8.795 -5.448 -2.996 1.00 25.54 C ATOM 908 C LEU A 58 -7.467 -5.136 -3.679 1.00 72.53 C ATOM 909 O LEU A 58 -6.584 -5.990 -3.758 1.00 42.41 O ATOM 910 CB LEU A 58 -8.611 -5.449 -1.477 1.00 13.41 C ATOM 911 CG LEU A 58 -9.162 -4.231 -0.734 1.00 41.53 C ATOM 912 CD1 LEU A 58 -8.785 -4.288 0.738 1.00 52.30 C ATOM 913 CD2 LEU A 58 -8.652 -2.944 -1.368 1.00 23.33 C ATOM 0 H LEU A 58 -8.965 -7.537 -2.922 1.00 32.30 H new ATOM 0 HA LEU A 58 -9.514 -4.676 -3.269 1.00 25.54 H new ATOM 0 HB2 LEU A 58 -9.088 -6.342 -1.074 1.00 13.41 H new ATOM 0 HB3 LEU A 58 -7.546 -5.531 -1.260 1.00 13.41 H new ATOM 0 HG LEU A 58 -10.249 -4.244 -0.810 1.00 41.53 H new ATOM 0 HD11 LEU A 58 -9.186 -3.413 1.250 1.00 52.30 H new ATOM 0 HD12 LEU A 58 -9.199 -5.192 1.185 1.00 52.30 H new ATOM 0 HD13 LEU A 58 -7.699 -4.300 0.835 1.00 52.30 H new ATOM 0 HD21 LEU A 58 -9.054 -2.088 -0.827 1.00 23.33 H new ATOM 0 HD22 LEU A 58 -7.563 -2.923 -1.323 1.00 23.33 H new ATOM 0 HD23 LEU A 58 -8.973 -2.899 -2.409 1.00 23.33 H new ATOM 925 N GLN A 59 -7.334 -3.908 -4.170 1.00 34.42 N ATOM 926 CA GLN A 59 -6.114 -3.484 -4.845 1.00 41.03 C ATOM 927 C GLN A 59 -5.935 -1.973 -4.747 1.00 3.40 C ATOM 928 O GLN A 59 -6.698 -1.207 -5.335 1.00 64.40 O ATOM 929 CB GLN A 59 -6.144 -3.911 -6.314 1.00 25.53 C ATOM 930 CG GLN A 59 -5.046 -3.278 -7.154 1.00 74.10 C ATOM 931 CD GLN A 59 -3.659 -3.713 -6.726 1.00 62.52 C ATOM 932 OE1 GLN A 59 -3.087 -3.004 -5.760 1.00 30.45 O flip ATOM 933 NE2 GLN A 59 -3.106 -4.676 -7.259 1.00 33.53 N flip ATOM 0 H GLN A 59 -8.056 -3.190 -4.113 1.00 34.42 H new ATOM 0 HA GLN A 59 -5.270 -3.965 -4.351 1.00 41.03 H new ATOM 0 HB2 GLN A 59 -6.053 -4.996 -6.370 1.00 25.53 H new ATOM 0 HB3 GLN A 59 -7.113 -3.649 -6.740 1.00 25.53 H new ATOM 0 HG2 GLN A 59 -5.198 -3.541 -8.201 1.00 74.10 H new ATOM 0 HG3 GLN A 59 -5.120 -2.193 -7.084 1.00 74.10 H new ATOM 0 HE21 GLN A 59 -3.582 -5.193 -7.998 1.00 33.53 H new ATOM 0 HE22 GLN A 59 -2.172 -4.957 -6.961 1.00 33.53 H new ATOM 942 N GLY A 60 -4.920 -1.549 -3.999 1.00 35.14 N ATOM 943 CA GLY A 60 -4.660 -0.131 -3.836 1.00 42.25 C ATOM 944 C GLY A 60 -3.197 0.163 -3.568 1.00 71.05 C ATOM 945 O GLY A 60 -2.392 -0.754 -3.406 1.00 63.15 O ATOM 0 H GLY A 60 -4.274 -2.163 -3.503 1.00 35.14 H new ATOM 0 HA2 GLY A 60 -4.975 0.399 -4.735 1.00 42.25 H new ATOM 0 HA3 GLY A 60 -5.262 0.253 -3.012 1.00 42.25 H new ATOM 949 N PHE A 61 -2.851 1.445 -3.523 1.00 54.31 N ATOM 950 CA PHE A 61 -1.475 1.858 -3.276 1.00 23.33 C ATOM 951 C PHE A 61 -1.416 2.940 -2.202 1.00 42.52 C ATOM 952 O PHE A 61 -2.261 3.834 -2.160 1.00 20.03 O ATOM 953 CB PHE A 61 -0.833 2.369 -4.567 1.00 71.13 C ATOM 954 CG PHE A 61 0.449 3.119 -4.344 1.00 12.02 C ATOM 955 CD1 PHE A 61 1.507 2.525 -3.675 1.00 71.10 C ATOM 956 CD2 PHE A 61 0.596 4.418 -4.803 1.00 30.01 C ATOM 957 CE1 PHE A 61 2.687 3.213 -3.467 1.00 42.34 C ATOM 958 CE2 PHE A 61 1.774 5.111 -4.599 1.00 2.35 C ATOM 959 CZ PHE A 61 2.822 4.508 -3.931 1.00 35.43 C ATOM 0 H PHE A 61 -3.505 2.216 -3.655 1.00 54.31 H new ATOM 0 HA PHE A 61 -0.920 0.989 -2.922 1.00 23.33 H new ATOM 0 HB2 PHE A 61 -0.639 1.523 -5.226 1.00 71.13 H new ATOM 0 HB3 PHE A 61 -1.540 3.019 -5.082 1.00 71.13 H new ATOM 0 HD1 PHE A 61 1.408 1.513 -3.312 1.00 71.10 H new ATOM 0 HD2 PHE A 61 -0.220 4.895 -5.326 1.00 30.01 H new ATOM 0 HE1 PHE A 61 3.503 2.739 -2.942 1.00 42.34 H new ATOM 0 HE2 PHE A 61 1.875 6.123 -4.962 1.00 2.35 H new ATOM 0 HZ PHE A 61 3.744 5.047 -3.772 1.00 35.43 H new ATOM 969 N ALA A 62 -0.412 2.853 -1.336 1.00 63.41 N ATOM 970 CA ALA A 62 -0.241 3.824 -0.263 1.00 41.53 C ATOM 971 C ALA A 62 1.214 4.268 -0.151 1.00 53.42 C ATOM 972 O ALA A 62 2.116 3.442 -0.021 1.00 41.51 O ATOM 973 CB ALA A 62 -0.720 3.242 1.058 1.00 73.10 C ATOM 0 H ALA A 62 0.296 2.119 -1.357 1.00 63.41 H new ATOM 0 HA ALA A 62 -0.844 4.700 -0.501 1.00 41.53 H new ATOM 0 HB1 ALA A 62 -0.586 3.979 1.850 1.00 73.10 H new ATOM 0 HB2 ALA A 62 -1.776 2.982 0.979 1.00 73.10 H new ATOM 0 HB3 ALA A 62 -0.142 2.348 1.293 1.00 73.10 H new ATOM 979 N ASN A 63 1.434 5.578 -0.203 1.00 54.13 N ATOM 980 CA ASN A 63 2.780 6.132 -0.109 1.00 34.52 C ATOM 981 C ASN A 63 3.140 6.440 1.341 1.00 3.21 C ATOM 982 O ASN A 63 2.547 7.320 1.966 1.00 21.30 O ATOM 983 CB ASN A 63 2.892 7.401 -0.955 1.00 62.04 C ATOM 984 CG ASN A 63 4.309 7.940 -1.003 1.00 53.41 C ATOM 985 OD1 ASN A 63 4.945 8.138 0.032 1.00 31.42 O ATOM 986 ND2 ASN A 63 4.809 8.182 -2.209 1.00 63.12 N ATOM 0 H ASN A 63 0.697 6.276 -0.310 1.00 54.13 H new ATOM 0 HA ASN A 63 3.480 5.388 -0.489 1.00 34.52 H new ATOM 0 HB2 ASN A 63 2.552 7.190 -1.969 1.00 62.04 H new ATOM 0 HB3 ASN A 63 2.229 8.165 -0.549 1.00 62.04 H new ATOM 0 HD21 ASN A 63 5.757 8.547 -2.304 1.00 63.12 H new ATOM 0 HD22 ASN A 63 4.245 8.003 -3.040 1.00 63.12 H new ATOM 993 N PHE A 64 4.117 5.711 1.870 1.00 21.12 N ATOM 994 CA PHE A 64 4.557 5.906 3.247 1.00 43.03 C ATOM 995 C PHE A 64 5.309 7.226 3.396 1.00 75.15 C ATOM 996 O PHE A 64 6.244 7.508 2.647 1.00 3.51 O ATOM 997 CB PHE A 64 5.451 4.745 3.688 1.00 12.12 C ATOM 998 CG PHE A 64 4.828 3.877 4.744 1.00 73.14 C ATOM 999 CD1 PHE A 64 4.686 4.337 6.043 1.00 73.01 C ATOM 1000 CD2 PHE A 64 4.383 2.601 4.436 1.00 25.14 C ATOM 1001 CE1 PHE A 64 4.113 3.540 7.016 1.00 64.30 C ATOM 1002 CE2 PHE A 64 3.810 1.799 5.405 1.00 11.24 C ATOM 1003 CZ PHE A 64 3.674 2.270 6.697 1.00 72.24 C ATOM 0 H PHE A 64 4.619 4.980 1.366 1.00 21.12 H new ATOM 0 HA PHE A 64 3.673 5.938 3.884 1.00 43.03 H new ATOM 0 HB2 PHE A 64 5.691 4.131 2.820 1.00 12.12 H new ATOM 0 HB3 PHE A 64 6.392 5.145 4.066 1.00 12.12 H new ATOM 0 HD1 PHE A 64 5.027 5.330 6.298 1.00 73.01 H new ATOM 0 HD2 PHE A 64 4.485 2.229 3.427 1.00 25.14 H new ATOM 0 HE1 PHE A 64 4.009 3.910 8.025 1.00 64.30 H new ATOM 0 HE2 PHE A 64 3.469 0.806 5.153 1.00 11.24 H new ATOM 0 HZ PHE A 64 3.225 1.646 7.456 1.00 72.24 H new ATOM 1013 N VAL A 65 4.891 8.031 4.367 1.00 1.22 N ATOM 1014 CA VAL A 65 5.524 9.321 4.616 1.00 54.12 C ATOM 1015 C VAL A 65 6.995 9.151 4.978 1.00 53.11 C ATOM 1016 O VAL A 65 7.803 10.059 4.783 1.00 51.24 O ATOM 1017 CB VAL A 65 4.813 10.086 5.748 1.00 54.01 C ATOM 1018 CG1 VAL A 65 5.594 11.337 6.120 1.00 22.45 C ATOM 1019 CG2 VAL A 65 3.390 10.438 5.341 1.00 52.13 C ATOM 0 H VAL A 65 4.117 7.813 4.994 1.00 1.22 H new ATOM 0 HA VAL A 65 5.444 9.896 3.693 1.00 54.12 H new ATOM 0 HB VAL A 65 4.767 9.441 6.625 1.00 54.01 H new ATOM 0 HG11 VAL A 65 5.076 11.864 6.921 1.00 22.45 H new ATOM 0 HG12 VAL A 65 6.592 11.056 6.456 1.00 22.45 H new ATOM 0 HG13 VAL A 65 5.674 11.988 5.250 1.00 22.45 H new ATOM 0 HG21 VAL A 65 2.902 10.978 6.153 1.00 52.13 H new ATOM 0 HG22 VAL A 65 3.411 11.065 4.449 1.00 52.13 H new ATOM 0 HG23 VAL A 65 2.835 9.524 5.129 1.00 52.13 H new ATOM 1029 N LYS A 66 7.337 7.981 5.507 1.00 53.13 N ATOM 1030 CA LYS A 66 8.711 7.689 5.895 1.00 3.24 C ATOM 1031 C LYS A 66 9.200 6.401 5.241 1.00 71.10 C ATOM 1032 O LYS A 66 8.506 5.811 4.412 1.00 10.14 O ATOM 1033 CB LYS A 66 8.819 7.573 7.418 1.00 51.14 C ATOM 1034 CG LYS A 66 7.734 6.711 8.040 1.00 64.10 C ATOM 1035 CD LYS A 66 6.557 7.549 8.509 1.00 74.42 C ATOM 1036 CE LYS A 66 6.716 7.970 9.962 1.00 54.14 C ATOM 1037 NZ LYS A 66 5.896 9.171 10.283 1.00 5.45 N ATOM 0 H LYS A 66 6.680 7.219 5.677 1.00 53.13 H new ATOM 0 HA LYS A 66 9.341 8.511 5.553 1.00 3.24 H new ATOM 0 HB2 LYS A 66 9.793 7.157 7.674 1.00 51.14 H new ATOM 0 HB3 LYS A 66 8.774 8.571 7.854 1.00 51.14 H new ATOM 0 HG2 LYS A 66 7.391 5.975 7.313 1.00 64.10 H new ATOM 0 HG3 LYS A 66 8.147 6.157 8.883 1.00 64.10 H new ATOM 0 HD2 LYS A 66 6.466 8.435 7.880 1.00 74.42 H new ATOM 0 HD3 LYS A 66 5.635 6.980 8.393 1.00 74.42 H new ATOM 0 HE2 LYS A 66 6.424 7.146 10.613 1.00 54.14 H new ATOM 0 HE3 LYS A 66 7.766 8.181 10.166 1.00 54.14 H new ATOM 0 HZ1 LYS A 66 6.031 9.427 11.282 1.00 5.45 H new ATOM 0 HZ2 LYS A 66 6.192 9.965 9.679 1.00 5.45 H new ATOM 0 HZ3 LYS A 66 4.892 8.961 10.112 1.00 5.45 H new ATOM 1051 N LYS A 67 10.398 5.968 5.619 1.00 51.10 N ATOM 1052 CA LYS A 67 10.979 4.748 5.072 1.00 70.05 C ATOM 1053 C LYS A 67 10.581 3.534 5.905 1.00 0.22 C ATOM 1054 O LYS A 67 10.827 3.491 7.110 1.00 22.31 O ATOM 1055 CB LYS A 67 12.504 4.865 5.017 1.00 71.31 C ATOM 1056 CG LYS A 67 13.080 4.658 3.627 1.00 44.41 C ATOM 1057 CD LYS A 67 13.415 5.982 2.960 1.00 40.01 C ATOM 1058 CE LYS A 67 13.996 5.774 1.570 1.00 52.44 C ATOM 1059 NZ LYS A 67 15.478 5.914 1.561 1.00 24.43 N ATOM 0 H LYS A 67 10.986 6.445 6.303 1.00 51.10 H new ATOM 0 HA LYS A 67 10.594 4.614 4.061 1.00 70.05 H new ATOM 0 HB2 LYS A 67 12.798 5.850 5.380 1.00 71.31 H new ATOM 0 HB3 LYS A 67 12.941 4.132 5.695 1.00 71.31 H new ATOM 0 HG2 LYS A 67 13.979 4.045 3.692 1.00 44.41 H new ATOM 0 HG3 LYS A 67 12.364 4.111 3.013 1.00 44.41 H new ATOM 0 HD2 LYS A 67 12.516 6.594 2.892 1.00 40.01 H new ATOM 0 HD3 LYS A 67 14.128 6.531 3.575 1.00 40.01 H new ATOM 0 HE2 LYS A 67 13.723 4.783 1.207 1.00 52.44 H new ATOM 0 HE3 LYS A 67 13.559 6.497 0.882 1.00 52.44 H new ATOM 0 HZ1 LYS A 67 15.835 5.765 0.596 1.00 24.43 H new ATOM 0 HZ2 LYS A 67 15.739 6.868 1.883 1.00 24.43 H new ATOM 0 HZ3 LYS A 67 15.897 5.207 2.198 1.00 24.43 H new ATOM 1073 N GLN A 68 9.967 2.551 5.255 1.00 13.11 N ATOM 1074 CA GLN A 68 9.536 1.337 5.938 1.00 61.33 C ATOM 1075 C GLN A 68 9.901 0.098 5.127 1.00 70.25 C ATOM 1076 O GLN A 68 10.005 0.153 3.901 1.00 72.14 O ATOM 1077 CB GLN A 68 8.027 1.373 6.184 1.00 31.05 C ATOM 1078 CG GLN A 68 7.575 2.562 7.017 1.00 70.01 C ATOM 1079 CD GLN A 68 6.691 2.158 8.180 1.00 31.32 C ATOM 1080 OE1 GLN A 68 6.036 1.116 8.144 1.00 21.53 O ATOM 1081 NE2 GLN A 68 6.668 2.982 9.221 1.00 55.32 N ATOM 0 H GLN A 68 9.757 2.571 4.257 1.00 13.11 H new ATOM 0 HA GLN A 68 10.052 1.287 6.897 1.00 61.33 H new ATOM 0 HB2 GLN A 68 7.511 1.395 5.224 1.00 31.05 H new ATOM 0 HB3 GLN A 68 7.727 0.453 6.686 1.00 31.05 H new ATOM 0 HG2 GLN A 68 8.451 3.088 7.397 1.00 70.01 H new ATOM 0 HG3 GLN A 68 7.034 3.262 6.380 1.00 70.01 H new ATOM 0 HE21 GLN A 68 7.227 3.835 9.209 1.00 55.32 H new ATOM 0 HE22 GLN A 68 6.092 2.762 10.033 1.00 55.32 H new ATOM 1090 N THR A 69 10.095 -1.021 5.819 1.00 44.35 N ATOM 1091 CA THR A 69 10.450 -2.273 5.163 1.00 23.01 C ATOM 1092 C THR A 69 9.212 -3.116 4.881 1.00 70.02 C ATOM 1093 O THR A 69 8.112 -2.792 5.330 1.00 43.45 O ATOM 1094 CB THR A 69 11.433 -3.095 6.018 1.00 63.45 C ATOM 1095 OG1 THR A 69 10.730 -3.754 7.077 1.00 54.14 O ATOM 1096 CG2 THR A 69 12.520 -2.204 6.601 1.00 74.31 C ATOM 0 H THR A 69 10.012 -1.085 6.834 1.00 44.35 H new ATOM 0 HA THR A 69 10.930 -2.011 4.220 1.00 23.01 H new ATOM 0 HB THR A 69 11.902 -3.840 5.376 1.00 63.45 H new ATOM 0 HG1 THR A 69 11.362 -4.276 7.614 1.00 54.14 H new ATOM 0 HG21 THR A 69 13.202 -2.807 7.201 1.00 74.31 H new ATOM 0 HG22 THR A 69 13.073 -1.728 5.791 1.00 74.31 H new ATOM 0 HG23 THR A 69 12.065 -1.438 7.229 1.00 74.31 H new ATOM 1104 N PHE A 70 9.397 -4.200 4.135 1.00 64.21 N ATOM 1105 CA PHE A 70 8.294 -5.090 3.793 1.00 63.35 C ATOM 1106 C PHE A 70 7.680 -5.703 5.048 1.00 64.52 C ATOM 1107 O PHE A 70 6.475 -5.608 5.272 1.00 13.42 O ATOM 1108 CB PHE A 70 8.777 -6.198 2.854 1.00 24.10 C ATOM 1109 CG PHE A 70 7.891 -7.411 2.852 1.00 4.13 C ATOM 1110 CD1 PHE A 70 6.704 -7.417 2.138 1.00 0.14 C ATOM 1111 CD2 PHE A 70 8.246 -8.545 3.565 1.00 31.01 C ATOM 1112 CE1 PHE A 70 5.887 -8.531 2.134 1.00 34.53 C ATOM 1113 CE2 PHE A 70 7.433 -9.663 3.564 1.00 12.44 C ATOM 1114 CZ PHE A 70 6.251 -9.655 2.849 1.00 21.42 C ATOM 0 H PHE A 70 10.301 -4.483 3.756 1.00 64.21 H new ATOM 0 HA PHE A 70 7.529 -4.502 3.286 1.00 63.35 H new ATOM 0 HB2 PHE A 70 8.840 -5.802 1.840 1.00 24.10 H new ATOM 0 HB3 PHE A 70 9.785 -6.495 3.144 1.00 24.10 H new ATOM 0 HD1 PHE A 70 6.414 -6.540 1.578 1.00 0.14 H new ATOM 0 HD2 PHE A 70 9.168 -8.555 4.128 1.00 31.01 H new ATOM 0 HE1 PHE A 70 4.965 -8.523 1.572 1.00 34.53 H new ATOM 0 HE2 PHE A 70 7.722 -10.542 4.122 1.00 12.44 H new ATOM 0 HZ PHE A 70 5.613 -10.526 2.849 1.00 21.42 H new ATOM 1124 N ASN A 71 8.520 -6.334 5.862 1.00 21.33 N ATOM 1125 CA ASN A 71 8.061 -6.965 7.095 1.00 51.43 C ATOM 1126 C ASN A 71 7.452 -5.933 8.039 1.00 15.11 C ATOM 1127 O ASN A 71 6.423 -6.182 8.669 1.00 41.34 O ATOM 1128 CB ASN A 71 9.220 -7.684 7.787 1.00 63.12 C ATOM 1129 CG ASN A 71 8.909 -9.141 8.072 1.00 42.31 C ATOM 1130 OD1 ASN A 71 8.962 -9.585 9.219 1.00 72.33 O ATOM 1131 ND2 ASN A 71 8.583 -9.891 7.026 1.00 20.52 N ATOM 0 H ASN A 71 9.522 -6.422 5.691 1.00 21.33 H new ATOM 0 HA ASN A 71 7.293 -7.694 6.837 1.00 51.43 H new ATOM 0 HB2 ASN A 71 10.109 -7.621 7.160 1.00 63.12 H new ATOM 0 HB3 ASN A 71 9.453 -7.175 8.722 1.00 63.12 H new ATOM 0 HD21 ASN A 71 8.364 -10.879 7.155 1.00 20.52 H new ATOM 0 HD22 ASN A 71 8.552 -9.479 6.093 1.00 20.52 H new ATOM 1138 N LYS A 72 8.093 -4.773 8.133 1.00 71.03 N ATOM 1139 CA LYS A 72 7.615 -3.701 8.998 1.00 33.40 C ATOM 1140 C LYS A 72 6.260 -3.183 8.525 1.00 65.13 C ATOM 1141 O LYS A 72 5.322 -3.058 9.312 1.00 25.42 O ATOM 1142 CB LYS A 72 8.628 -2.555 9.032 1.00 11.10 C ATOM 1143 CG LYS A 72 8.612 -1.767 10.331 1.00 71.33 C ATOM 1144 CD LYS A 72 7.531 -0.700 10.322 1.00 15.12 C ATOM 1145 CE LYS A 72 7.025 -0.407 11.727 1.00 64.13 C ATOM 1146 NZ LYS A 72 8.112 0.091 12.614 1.00 24.04 N ATOM 0 H LYS A 72 8.946 -4.551 7.620 1.00 71.03 H new ATOM 0 HA LYS A 72 7.499 -4.104 10.004 1.00 33.40 H new ATOM 0 HB2 LYS A 72 9.628 -2.960 8.875 1.00 11.10 H new ATOM 0 HB3 LYS A 72 8.425 -1.877 8.203 1.00 11.10 H new ATOM 0 HG2 LYS A 72 8.447 -2.446 11.168 1.00 71.33 H new ATOM 0 HG3 LYS A 72 9.584 -1.300 10.486 1.00 71.33 H new ATOM 0 HD2 LYS A 72 7.924 0.214 9.878 1.00 15.12 H new ATOM 0 HD3 LYS A 72 6.701 -1.027 9.696 1.00 15.12 H new ATOM 0 HE2 LYS A 72 6.227 0.334 11.679 1.00 64.13 H new ATOM 0 HE3 LYS A 72 6.594 -1.312 12.154 1.00 64.13 H new ATOM 0 HZ1 LYS A 72 7.705 0.407 13.518 1.00 24.04 H new ATOM 0 HZ2 LYS A 72 8.794 -0.674 12.790 1.00 24.04 H new ATOM 0 HZ3 LYS A 72 8.597 0.889 12.155 1.00 24.04 H new ATOM 1160 N VAL A 73 6.165 -2.884 7.233 1.00 11.10 N ATOM 1161 CA VAL A 73 4.924 -2.382 6.654 1.00 4.24 C ATOM 1162 C VAL A 73 3.757 -3.313 6.963 1.00 4.24 C ATOM 1163 O VAL A 73 2.603 -2.887 7.005 1.00 71.23 O ATOM 1164 CB VAL A 73 5.044 -2.216 5.128 1.00 41.22 C ATOM 1165 CG1 VAL A 73 3.671 -2.021 4.502 1.00 2.25 C ATOM 1166 CG2 VAL A 73 5.963 -1.052 4.789 1.00 24.12 C ATOM 0 H VAL A 73 6.932 -2.981 6.568 1.00 11.10 H new ATOM 0 HA VAL A 73 4.736 -1.407 7.104 1.00 4.24 H new ATOM 0 HB VAL A 73 5.480 -3.126 4.715 1.00 41.22 H new ATOM 0 HG11 VAL A 73 3.776 -1.905 3.423 1.00 2.25 H new ATOM 0 HG12 VAL A 73 3.047 -2.889 4.715 1.00 2.25 H new ATOM 0 HG13 VAL A 73 3.205 -1.128 4.919 1.00 2.25 H new ATOM 0 HG21 VAL A 73 6.036 -0.949 3.706 1.00 24.12 H new ATOM 0 HG22 VAL A 73 5.559 -0.133 5.214 1.00 24.12 H new ATOM 0 HG23 VAL A 73 6.954 -1.238 5.204 1.00 24.12 H new ATOM 1176 N LYS A 74 4.066 -4.587 7.181 1.00 52.22 N ATOM 1177 CA LYS A 74 3.044 -5.580 7.488 1.00 33.24 C ATOM 1178 C LYS A 74 2.370 -5.272 8.822 1.00 73.43 C ATOM 1179 O LYS A 74 1.341 -5.859 9.157 1.00 12.14 O ATOM 1180 CB LYS A 74 3.660 -6.981 7.528 1.00 53.44 C ATOM 1181 CG LYS A 74 4.367 -7.370 6.241 1.00 31.20 C ATOM 1182 CD LYS A 74 4.032 -8.794 5.830 1.00 54.14 C ATOM 1183 CE LYS A 74 3.114 -8.822 4.617 1.00 61.22 C ATOM 1184 NZ LYS A 74 3.002 -10.190 4.038 1.00 52.41 N ATOM 0 H LYS A 74 5.016 -4.956 7.151 1.00 52.22 H new ATOM 0 HA LYS A 74 2.290 -5.543 6.702 1.00 33.24 H new ATOM 0 HB2 LYS A 74 4.370 -7.033 8.353 1.00 53.44 H new ATOM 0 HB3 LYS A 74 2.875 -7.708 7.736 1.00 53.44 H new ATOM 0 HG2 LYS A 74 4.080 -6.683 5.445 1.00 31.20 H new ATOM 0 HG3 LYS A 74 5.445 -7.272 6.373 1.00 31.20 H new ATOM 0 HD2 LYS A 74 4.951 -9.335 5.605 1.00 54.14 H new ATOM 0 HD3 LYS A 74 3.554 -9.311 6.662 1.00 54.14 H new ATOM 0 HE2 LYS A 74 2.124 -8.466 4.902 1.00 61.22 H new ATOM 0 HE3 LYS A 74 3.493 -8.137 3.859 1.00 61.22 H new ATOM 0 HZ1 LYS A 74 2.094 -10.283 3.539 1.00 52.41 H new ATOM 0 HZ2 LYS A 74 3.782 -10.349 3.369 1.00 52.41 H new ATOM 0 HZ3 LYS A 74 3.052 -10.895 4.801 1.00 52.41 H new ATOM 1198 N TRP A 75 2.955 -4.349 9.576 1.00 60.22 N ATOM 1199 CA TRP A 75 2.409 -3.963 10.872 1.00 2.10 C ATOM 1200 C TRP A 75 1.112 -3.179 10.705 1.00 61.22 C ATOM 1201 O TRP A 75 0.312 -3.080 11.635 1.00 14.21 O ATOM 1202 CB TRP A 75 3.428 -3.127 11.649 1.00 70.32 C ATOM 1203 CG TRP A 75 3.480 -1.695 11.210 1.00 72.11 C ATOM 1204 CD1 TRP A 75 3.407 -1.227 9.929 1.00 65.52 C ATOM 1205 CD2 TRP A 75 3.617 -0.545 12.052 1.00 60.32 C ATOM 1206 NE1 TRP A 75 3.492 0.144 9.924 1.00 55.04 N ATOM 1207 CE2 TRP A 75 3.620 0.587 11.213 1.00 33.25 C ATOM 1208 CE3 TRP A 75 3.736 -0.361 13.432 1.00 72.51 C ATOM 1209 CZ2 TRP A 75 3.738 1.881 11.712 1.00 52.50 C ATOM 1210 CZ3 TRP A 75 3.853 0.924 13.925 1.00 2.01 C ATOM 1211 CH2 TRP A 75 3.853 2.032 13.067 1.00 13.02 C ATOM 0 H TRP A 75 3.807 -3.854 9.313 1.00 60.22 H new ATOM 0 HA TRP A 75 2.192 -4.872 11.432 1.00 2.10 H new ATOM 0 HB2 TRP A 75 3.185 -3.165 12.711 1.00 70.32 H new ATOM 0 HB3 TRP A 75 4.416 -3.571 11.532 1.00 70.32 H new ATOM 0 HD1 TRP A 75 3.298 -1.844 9.049 1.00 65.52 H new ATOM 0 HE1 TRP A 75 3.464 0.736 9.094 1.00 55.04 H new ATOM 0 HE3 TRP A 75 3.736 -1.209 14.101 1.00 72.51 H new ATOM 0 HZ2 TRP A 75 3.739 2.736 11.052 1.00 52.50 H new ATOM 0 HZ3 TRP A 75 3.946 1.077 14.990 1.00 2.01 H new ATOM 0 HH2 TRP A 75 3.946 3.024 13.483 1.00 13.02 H new ATOM 1222 N TYR A 76 0.910 -2.625 9.515 1.00 43.32 N ATOM 1223 CA TYR A 76 -0.289 -1.848 9.227 1.00 15.32 C ATOM 1224 C TYR A 76 -1.157 -2.550 8.187 1.00 32.13 C ATOM 1225 O TYR A 76 -2.358 -2.739 8.388 1.00 3.21 O ATOM 1226 CB TYR A 76 0.089 -0.451 8.732 1.00 13.44 C ATOM 1227 CG TYR A 76 -0.068 0.626 9.782 1.00 1.50 C ATOM 1228 CD1 TYR A 76 -1.163 0.637 10.637 1.00 51.43 C ATOM 1229 CD2 TYR A 76 0.880 1.633 9.920 1.00 64.25 C ATOM 1230 CE1 TYR A 76 -1.310 1.620 11.596 1.00 34.15 C ATOM 1231 CE2 TYR A 76 0.742 2.619 10.877 1.00 30.44 C ATOM 1232 CZ TYR A 76 -0.355 2.608 11.713 1.00 13.21 C ATOM 1233 OH TYR A 76 -0.498 3.588 12.669 1.00 63.12 O ATOM 0 H TYR A 76 1.562 -2.700 8.734 1.00 43.32 H new ATOM 0 HA TYR A 76 -0.861 -1.757 10.150 1.00 15.32 H new ATOM 0 HB2 TYR A 76 1.123 -0.464 8.388 1.00 13.44 H new ATOM 0 HB3 TYR A 76 -0.530 -0.200 7.871 1.00 13.44 H new ATOM 0 HD1 TYR A 76 -1.912 -0.136 10.550 1.00 51.43 H new ATOM 0 HD2 TYR A 76 1.740 1.645 9.267 1.00 64.25 H new ATOM 0 HE1 TYR A 76 -2.169 1.615 12.251 1.00 34.15 H new ATOM 0 HE2 TYR A 76 1.488 3.394 10.970 1.00 30.44 H new ATOM 0 HH TYR A 76 0.387 3.894 12.959 1.00 63.12 H new ATOM 1243 N LEU A 77 -0.541 -2.936 7.076 1.00 41.24 N ATOM 1244 CA LEU A 77 -1.255 -3.619 6.002 1.00 11.34 C ATOM 1245 C LEU A 77 -1.651 -5.030 6.424 1.00 61.22 C ATOM 1246 O LEU A 77 -2.712 -5.526 6.049 1.00 73.41 O ATOM 1247 CB LEU A 77 -0.390 -3.674 4.742 1.00 30.20 C ATOM 1248 CG LEU A 77 -0.136 -2.338 4.043 1.00 72.22 C ATOM 1249 CD1 LEU A 77 0.813 -2.522 2.869 1.00 2.01 C ATOM 1250 CD2 LEU A 77 -1.448 -1.721 3.579 1.00 63.51 C ATOM 0 H LEU A 77 0.452 -2.788 6.894 1.00 41.24 H new ATOM 0 HA LEU A 77 -2.163 -3.056 5.786 1.00 11.34 H new ATOM 0 HB2 LEU A 77 0.573 -4.112 5.005 1.00 30.20 H new ATOM 0 HB3 LEU A 77 -0.864 -4.350 4.030 1.00 30.20 H new ATOM 0 HG LEU A 77 0.330 -1.659 4.757 1.00 72.22 H new ATOM 0 HD11 LEU A 77 0.982 -1.561 2.384 1.00 2.01 H new ATOM 0 HD12 LEU A 77 1.763 -2.919 3.228 1.00 2.01 H new ATOM 0 HD13 LEU A 77 0.376 -3.218 2.153 1.00 2.01 H new ATOM 0 HD21 LEU A 77 -1.248 -0.771 3.084 1.00 63.51 H new ATOM 0 HD22 LEU A 77 -1.941 -2.397 2.881 1.00 63.51 H new ATOM 0 HD23 LEU A 77 -2.095 -1.552 4.440 1.00 63.51 H new ATOM 1262 N GLY A 78 -0.790 -5.672 7.208 1.00 1.33 N ATOM 1263 CA GLY A 78 -1.068 -7.019 7.670 1.00 74.13 C ATOM 1264 C GLY A 78 -0.510 -8.078 6.740 1.00 43.44 C ATOM 1265 O GLY A 78 -0.374 -7.849 5.538 1.00 10.41 O ATOM 0 H GLY A 78 0.096 -5.283 7.531 1.00 1.33 H new ATOM 0 HA2 GLY A 78 -0.643 -7.153 8.665 1.00 74.13 H new ATOM 0 HA3 GLY A 78 -2.146 -7.153 7.763 1.00 74.13 H new ATOM 1269 N ALA A 79 -0.183 -9.239 7.296 1.00 33.41 N ATOM 1270 CA ALA A 79 0.364 -10.337 6.508 1.00 34.02 C ATOM 1271 C ALA A 79 -0.726 -11.021 5.689 1.00 21.25 C ATOM 1272 O ALA A 79 -0.453 -11.608 4.642 1.00 5.51 O ATOM 1273 CB ALA A 79 1.056 -11.344 7.415 1.00 50.22 C ATOM 0 H ALA A 79 -0.287 -9.444 8.290 1.00 33.41 H new ATOM 0 HA ALA A 79 1.098 -9.924 5.815 1.00 34.02 H new ATOM 0 HB1 ALA A 79 1.460 -12.158 6.813 1.00 50.22 H new ATOM 0 HB2 ALA A 79 1.867 -10.853 7.952 1.00 50.22 H new ATOM 0 HB3 ALA A 79 0.337 -11.743 8.130 1.00 50.22 H new ATOM 1279 N ARG A 80 -1.961 -10.943 6.174 1.00 1.11 N ATOM 1280 CA ARG A 80 -3.091 -11.557 5.488 1.00 53.44 C ATOM 1281 C ARG A 80 -3.144 -11.118 4.027 1.00 0.42 C ATOM 1282 O ARG A 80 -3.491 -11.903 3.145 1.00 70.44 O ATOM 1283 CB ARG A 80 -4.401 -11.191 6.189 1.00 42.22 C ATOM 1284 CG ARG A 80 -4.425 -11.557 7.664 1.00 70.43 C ATOM 1285 CD ARG A 80 -4.184 -13.044 7.872 1.00 31.31 C ATOM 1286 NE ARG A 80 -5.160 -13.862 7.157 1.00 62.50 N ATOM 1287 CZ ARG A 80 -6.384 -14.109 7.609 1.00 32.31 C ATOM 1288 NH1 ARG A 80 -6.781 -13.603 8.769 1.00 62.24 N ATOM 1289 NH2 ARG A 80 -7.215 -14.863 6.901 1.00 60.34 N ATOM 0 H ARG A 80 -2.204 -10.461 7.039 1.00 1.11 H new ATOM 0 HA ARG A 80 -2.959 -12.639 5.520 1.00 53.44 H new ATOM 0 HB2 ARG A 80 -4.571 -10.119 6.086 1.00 42.22 H new ATOM 0 HB3 ARG A 80 -5.226 -11.694 5.685 1.00 42.22 H new ATOM 0 HG2 ARG A 80 -3.663 -10.986 8.194 1.00 70.43 H new ATOM 0 HG3 ARG A 80 -5.388 -11.280 8.093 1.00 70.43 H new ATOM 0 HD2 ARG A 80 -3.180 -13.299 7.534 1.00 31.31 H new ATOM 0 HD3 ARG A 80 -4.229 -13.273 8.937 1.00 31.31 H new ATOM 0 HE ARG A 80 -4.886 -14.266 6.261 1.00 62.50 H new ATOM 0 HH11 ARG A 80 -6.146 -13.022 9.316 1.00 62.24 H new ATOM 0 HH12 ARG A 80 -7.722 -13.794 9.114 1.00 62.24 H new ATOM 0 HH21 ARG A 80 -6.914 -15.254 6.008 1.00 60.34 H new ATOM 0 HH22 ARG A 80 -8.155 -15.052 7.250 1.00 60.34 H new ATOM 1303 N CYS A 81 -2.798 -9.859 3.781 1.00 53.05 N ATOM 1304 CA CYS A 81 -2.807 -9.315 2.427 1.00 14.22 C ATOM 1305 C CYS A 81 -1.394 -9.246 1.859 1.00 5.24 C ATOM 1306 O CYS A 81 -0.443 -8.916 2.570 1.00 53.53 O ATOM 1307 CB CYS A 81 -3.442 -7.923 2.419 1.00 22.21 C ATOM 1308 SG CYS A 81 -2.421 -6.642 3.185 1.00 61.15 S ATOM 0 H CYS A 81 -2.508 -9.196 4.500 1.00 53.05 H new ATOM 0 HA CYS A 81 -3.399 -9.980 1.798 1.00 14.22 H new ATOM 0 HB2 CYS A 81 -3.652 -7.637 1.388 1.00 22.21 H new ATOM 0 HB3 CYS A 81 -4.399 -7.969 2.939 1.00 22.21 H new ATOM 0 HG CYS A 81 -2.847 -6.411 4.391 1.00 61.15 H new ATOM 1314 N HIS A 82 -1.261 -9.561 0.575 1.00 72.11 N ATOM 1315 CA HIS A 82 0.038 -9.536 -0.089 1.00 34.04 C ATOM 1316 C HIS A 82 0.444 -8.106 -0.434 1.00 34.50 C ATOM 1317 O HIS A 82 -0.310 -7.376 -1.078 1.00 3.30 O ATOM 1318 CB HIS A 82 0.003 -10.389 -1.357 1.00 35.21 C ATOM 1319 CG HIS A 82 1.359 -10.809 -1.834 1.00 53.11 C ATOM 1320 ND1 HIS A 82 1.983 -11.962 -1.408 1.00 30.13 N ATOM 1321 CD2 HIS A 82 2.210 -10.223 -2.708 1.00 4.12 C ATOM 1322 CE1 HIS A 82 3.161 -12.066 -1.997 1.00 74.41 C ATOM 1323 NE2 HIS A 82 3.323 -11.024 -2.792 1.00 13.24 N ATOM 0 H HIS A 82 -2.037 -9.837 -0.027 1.00 72.11 H new ATOM 0 HA HIS A 82 0.777 -9.949 0.597 1.00 34.04 H new ATOM 0 HB2 HIS A 82 -0.599 -11.278 -1.170 1.00 35.21 H new ATOM 0 HB3 HIS A 82 -0.494 -9.828 -2.149 1.00 35.21 H new ATOM 0 HD2 HIS A 82 2.045 -9.298 -3.240 1.00 4.12 H new ATOM 0 HE1 HIS A 82 3.871 -12.867 -1.853 1.00 74.41 H new ATOM 0 HE2 HIS A 82 4.141 -10.843 -3.374 1.00 13.24 H new ATOM 1331 N ILE A 83 1.637 -7.715 -0.001 1.00 42.31 N ATOM 1332 CA ILE A 83 2.142 -6.373 -0.265 1.00 64.11 C ATOM 1333 C ILE A 83 3.391 -6.418 -1.140 1.00 33.02 C ATOM 1334 O ILE A 83 4.192 -7.347 -1.046 1.00 44.22 O ATOM 1335 CB ILE A 83 2.472 -5.628 1.042 1.00 33.20 C ATOM 1336 CG1 ILE A 83 3.601 -6.340 1.790 1.00 60.13 C ATOM 1337 CG2 ILE A 83 1.233 -5.523 1.919 1.00 74.45 C ATOM 1338 CD1 ILE A 83 3.999 -5.654 3.078 1.00 60.51 C ATOM 0 H ILE A 83 2.272 -8.308 0.534 1.00 42.31 H new ATOM 0 HA ILE A 83 1.352 -5.836 -0.790 1.00 64.11 H new ATOM 0 HB ILE A 83 2.805 -4.620 0.794 1.00 33.20 H new ATOM 0 HG12 ILE A 83 3.291 -7.361 2.012 1.00 60.13 H new ATOM 0 HG13 ILE A 83 4.472 -6.406 1.139 1.00 60.13 H new ATOM 0 HG21 ILE A 83 1.482 -4.994 2.839 1.00 74.45 H new ATOM 0 HG22 ILE A 83 0.455 -4.977 1.386 1.00 74.45 H new ATOM 0 HG23 ILE A 83 0.873 -6.523 2.161 1.00 74.45 H new ATOM 0 HD11 ILE A 83 4.804 -6.214 3.555 1.00 60.51 H new ATOM 0 HD12 ILE A 83 4.340 -4.642 2.861 1.00 60.51 H new ATOM 0 HD13 ILE A 83 3.140 -5.612 3.748 1.00 60.51 H new ATOM 1350 N GLU A 84 3.549 -5.407 -1.988 1.00 72.15 N ATOM 1351 CA GLU A 84 4.701 -5.331 -2.879 1.00 73.32 C ATOM 1352 C GLU A 84 5.078 -3.879 -3.158 1.00 64.30 C ATOM 1353 O GLU A 84 4.294 -2.963 -2.910 1.00 63.02 O ATOM 1354 CB GLU A 84 4.405 -6.054 -4.195 1.00 34.42 C ATOM 1355 CG GLU A 84 5.573 -6.875 -4.715 1.00 1.40 C ATOM 1356 CD GLU A 84 5.128 -8.054 -5.558 1.00 45.24 C ATOM 1357 OE1 GLU A 84 4.063 -8.631 -5.258 1.00 13.42 O ATOM 1358 OE2 GLU A 84 5.847 -8.399 -6.520 1.00 22.34 O ATOM 0 H GLU A 84 2.895 -4.630 -2.077 1.00 72.15 H new ATOM 0 HA GLU A 84 5.542 -5.819 -2.386 1.00 73.32 H new ATOM 0 HB2 GLU A 84 3.545 -6.709 -4.054 1.00 34.42 H new ATOM 0 HB3 GLU A 84 4.125 -5.318 -4.949 1.00 34.42 H new ATOM 0 HG2 GLU A 84 6.226 -6.235 -5.308 1.00 1.40 H new ATOM 0 HG3 GLU A 84 6.161 -7.237 -3.872 1.00 1.40 H new ATOM 1365 N LYS A 85 6.286 -3.677 -3.675 1.00 33.02 N ATOM 1366 CA LYS A 85 6.770 -2.338 -3.989 1.00 15.13 C ATOM 1367 C LYS A 85 6.124 -1.812 -5.267 1.00 0.12 C ATOM 1368 O LYS A 85 6.066 -2.512 -6.277 1.00 54.12 O ATOM 1369 CB LYS A 85 8.292 -2.346 -4.140 1.00 4.12 C ATOM 1370 CG LYS A 85 9.032 -2.591 -2.836 1.00 33.31 C ATOM 1371 CD LYS A 85 10.538 -2.527 -3.028 1.00 74.22 C ATOM 1372 CE LYS A 85 11.049 -3.718 -3.824 1.00 21.20 C ATOM 1373 NZ LYS A 85 11.642 -3.302 -5.125 1.00 61.52 N ATOM 0 H LYS A 85 6.948 -4.424 -3.885 1.00 33.02 H new ATOM 0 HA LYS A 85 6.496 -1.678 -3.166 1.00 15.13 H new ATOM 0 HB2 LYS A 85 8.573 -3.117 -4.858 1.00 4.12 H new ATOM 0 HB3 LYS A 85 8.612 -1.391 -4.556 1.00 4.12 H new ATOM 0 HG2 LYS A 85 8.727 -1.849 -2.098 1.00 33.31 H new ATOM 0 HG3 LYS A 85 8.756 -3.568 -2.438 1.00 33.31 H new ATOM 0 HD2 LYS A 85 10.801 -1.603 -3.544 1.00 74.22 H new ATOM 0 HD3 LYS A 85 11.029 -2.500 -2.055 1.00 74.22 H new ATOM 0 HE2 LYS A 85 11.797 -4.252 -3.238 1.00 21.20 H new ATOM 0 HE3 LYS A 85 10.229 -4.413 -4.004 1.00 21.20 H new ATOM 0 HZ1 LYS A 85 11.979 -4.142 -5.638 1.00 61.52 H new ATOM 0 HZ2 LYS A 85 10.922 -2.814 -5.695 1.00 61.52 H new ATOM 0 HZ3 LYS A 85 12.441 -2.659 -4.953 1.00 61.52 H new ATOM 1387 N ALA A 86 5.642 -0.575 -5.215 1.00 0.51 N ATOM 1388 CA ALA A 86 5.004 0.046 -6.369 1.00 63.15 C ATOM 1389 C ALA A 86 6.038 0.690 -7.287 1.00 71.34 C ATOM 1390 O ALA A 86 7.149 1.006 -6.863 1.00 4.21 O ATOM 1391 CB ALA A 86 3.982 1.078 -5.917 1.00 22.04 C ATOM 0 H ALA A 86 5.681 0.017 -4.385 1.00 0.51 H new ATOM 0 HA ALA A 86 4.491 -0.734 -6.932 1.00 63.15 H new ATOM 0 HB1 ALA A 86 3.514 1.533 -6.790 1.00 22.04 H new ATOM 0 HB2 ALA A 86 3.219 0.592 -5.308 1.00 22.04 H new ATOM 0 HB3 ALA A 86 4.479 1.849 -5.329 1.00 22.04 H new ATOM 1397 N LYS A 87 5.665 0.880 -8.548 1.00 41.54 N ATOM 1398 CA LYS A 87 6.559 1.487 -9.528 1.00 0.14 C ATOM 1399 C LYS A 87 5.795 2.429 -10.452 1.00 14.40 C ATOM 1400 O LYS A 87 4.633 2.187 -10.778 1.00 44.54 O ATOM 1401 CB LYS A 87 7.258 0.403 -10.351 1.00 54.05 C ATOM 1402 CG LYS A 87 6.352 -0.264 -11.372 1.00 35.13 C ATOM 1403 CD LYS A 87 6.450 -1.779 -11.299 1.00 43.33 C ATOM 1404 CE LYS A 87 5.340 -2.448 -12.094 1.00 34.32 C ATOM 1405 NZ LYS A 87 5.878 -3.293 -13.196 1.00 33.01 N ATOM 0 H LYS A 87 4.749 0.622 -8.916 1.00 41.54 H new ATOM 0 HA LYS A 87 7.309 2.066 -8.989 1.00 0.14 H new ATOM 0 HB2 LYS A 87 8.111 0.844 -10.867 1.00 54.05 H new ATOM 0 HB3 LYS A 87 7.652 -0.357 -9.676 1.00 54.05 H new ATOM 0 HG2 LYS A 87 5.320 0.043 -11.200 1.00 35.13 H new ATOM 0 HG3 LYS A 87 6.622 0.071 -12.373 1.00 35.13 H new ATOM 0 HD2 LYS A 87 7.418 -2.101 -11.682 1.00 43.33 H new ATOM 0 HD3 LYS A 87 6.397 -2.098 -10.258 1.00 43.33 H new ATOM 0 HE2 LYS A 87 4.736 -3.063 -11.427 1.00 34.32 H new ATOM 0 HE3 LYS A 87 4.681 -1.686 -12.510 1.00 34.32 H new ATOM 0 HZ1 LYS A 87 5.090 -3.731 -13.714 1.00 33.01 H new ATOM 0 HZ2 LYS A 87 6.434 -2.702 -13.847 1.00 33.01 H new ATOM 0 HZ3 LYS A 87 6.487 -4.036 -12.798 1.00 33.01 H new ATOM 1419 N GLY A 88 6.455 3.504 -10.872 1.00 10.52 N ATOM 1420 CA GLY A 88 5.822 4.466 -11.756 1.00 31.33 C ATOM 1421 C GLY A 88 5.601 5.809 -11.089 1.00 22.12 C ATOM 1422 O GLY A 88 5.972 6.005 -9.931 1.00 25.00 O ATOM 0 H GLY A 88 7.417 3.726 -10.616 1.00 10.52 H new ATOM 0 HA2 GLY A 88 6.441 4.602 -12.643 1.00 31.33 H new ATOM 0 HA3 GLY A 88 4.864 4.069 -12.093 1.00 31.33 H new ATOM 1426 N THR A 89 4.996 6.739 -11.821 1.00 1.21 N ATOM 1427 CA THR A 89 4.729 8.072 -11.295 1.00 22.12 C ATOM 1428 C THR A 89 3.413 8.106 -10.527 1.00 54.52 C ATOM 1429 O THR A 89 2.672 7.123 -10.501 1.00 44.10 O ATOM 1430 CB THR A 89 4.681 9.121 -12.421 1.00 44.42 C ATOM 1431 OG1 THR A 89 3.471 8.978 -13.173 1.00 42.21 O ATOM 1432 CG2 THR A 89 5.880 8.976 -13.347 1.00 53.51 C ATOM 0 H THR A 89 4.681 6.594 -12.780 1.00 1.21 H new ATOM 0 HA THR A 89 5.548 8.315 -10.618 1.00 22.12 H new ATOM 0 HB THR A 89 4.710 10.111 -11.966 1.00 44.42 H new ATOM 0 HG1 THR A 89 3.448 9.650 -13.886 1.00 42.21 H new ATOM 0 HG21 THR A 89 5.824 9.728 -14.135 1.00 53.51 H new ATOM 0 HG22 THR A 89 6.799 9.115 -12.777 1.00 53.51 H new ATOM 0 HG23 THR A 89 5.877 7.982 -13.794 1.00 53.51 H new ATOM 1440 N ASP A 90 3.126 9.244 -9.904 1.00 42.33 N ATOM 1441 CA ASP A 90 1.897 9.407 -9.137 1.00 52.41 C ATOM 1442 C ASP A 90 0.676 9.081 -9.991 1.00 72.33 C ATOM 1443 O ASP A 90 -0.274 8.457 -9.519 1.00 13.41 O ATOM 1444 CB ASP A 90 1.791 10.836 -8.600 1.00 24.52 C ATOM 1445 CG ASP A 90 2.031 11.878 -9.675 1.00 21.44 C ATOM 1446 OD1 ASP A 90 1.074 12.207 -10.405 1.00 73.54 O ATOM 1447 OD2 ASP A 90 3.176 12.364 -9.785 1.00 64.44 O ATOM 0 H ASP A 90 3.728 10.067 -9.915 1.00 42.33 H new ATOM 0 HA ASP A 90 1.928 8.712 -8.298 1.00 52.41 H new ATOM 0 HB2 ASP A 90 0.802 10.986 -8.167 1.00 24.52 H new ATOM 0 HB3 ASP A 90 2.515 10.974 -7.797 1.00 24.52 H new ATOM 1452 N GLN A 91 0.709 9.507 -11.250 1.00 21.13 N ATOM 1453 CA GLN A 91 -0.396 9.261 -12.169 1.00 20.24 C ATOM 1454 C GLN A 91 -0.493 7.780 -12.519 1.00 62.33 C ATOM 1455 O GLN A 91 -1.588 7.242 -12.685 1.00 4.52 O ATOM 1456 CB GLN A 91 -0.221 10.088 -13.443 1.00 52.51 C ATOM 1457 CG GLN A 91 -0.701 11.525 -13.306 1.00 63.44 C ATOM 1458 CD GLN A 91 -2.156 11.617 -12.894 1.00 14.03 C ATOM 1459 OE1 GLN A 91 -2.509 12.367 -11.983 1.00 20.23 O ATOM 1460 NE2 GLN A 91 -3.012 10.853 -13.564 1.00 4.44 N ATOM 0 H GLN A 91 1.489 10.024 -11.657 1.00 21.13 H new ATOM 0 HA GLN A 91 -1.320 9.560 -11.675 1.00 20.24 H new ATOM 0 HB2 GLN A 91 0.832 10.091 -13.723 1.00 52.51 H new ATOM 0 HB3 GLN A 91 -0.766 9.608 -14.256 1.00 52.51 H new ATOM 0 HG2 GLN A 91 -0.085 12.041 -12.569 1.00 63.44 H new ATOM 0 HG3 GLN A 91 -0.563 12.042 -14.255 1.00 63.44 H new ATOM 0 HE21 GLN A 91 -2.676 10.246 -14.312 1.00 4.44 H new ATOM 0 HE22 GLN A 91 -4.005 10.874 -13.330 1.00 4.44 H new ATOM 1469 N GLN A 92 0.659 7.127 -12.631 1.00 63.41 N ATOM 1470 CA GLN A 92 0.703 5.707 -12.963 1.00 42.54 C ATOM 1471 C GLN A 92 0.090 4.868 -11.848 1.00 21.15 C ATOM 1472 O GLN A 92 -0.575 3.866 -12.106 1.00 23.53 O ATOM 1473 CB GLN A 92 2.146 5.266 -13.216 1.00 73.34 C ATOM 1474 CG GLN A 92 2.508 5.188 -14.691 1.00 23.54 C ATOM 1475 CD GLN A 92 3.293 3.937 -15.033 1.00 22.41 C ATOM 1476 OE1 GLN A 92 2.717 2.886 -15.316 1.00 34.13 O ATOM 1477 NE2 GLN A 92 4.617 4.043 -15.009 1.00 73.24 N ATOM 0 H GLN A 92 1.574 7.558 -12.497 1.00 63.41 H new ATOM 0 HA GLN A 92 0.119 5.553 -13.870 1.00 42.54 H new ATOM 0 HB2 GLN A 92 2.822 5.963 -12.721 1.00 73.34 H new ATOM 0 HB3 GLN A 92 2.304 4.289 -12.759 1.00 73.34 H new ATOM 0 HG2 GLN A 92 1.596 5.214 -15.287 1.00 23.54 H new ATOM 0 HG3 GLN A 92 3.093 6.066 -14.965 1.00 23.54 H new ATOM 0 HE21 GLN A 92 5.053 4.933 -14.769 1.00 73.24 H new ATOM 0 HE22 GLN A 92 5.197 3.234 -15.231 1.00 73.24 H new ATOM 1486 N ASN A 93 0.319 5.285 -10.606 1.00 72.53 N ATOM 1487 CA ASN A 93 -0.211 4.570 -9.450 1.00 64.14 C ATOM 1488 C ASN A 93 -1.696 4.864 -9.262 1.00 44.51 C ATOM 1489 O ASN A 93 -2.495 3.958 -9.025 1.00 42.41 O ATOM 1490 CB ASN A 93 0.562 4.957 -8.188 1.00 12.03 C ATOM 1491 CG ASN A 93 1.923 4.293 -8.116 1.00 62.22 C ATOM 1492 OD1 ASN A 93 2.672 4.360 -9.211 1.00 54.20 O flip ATOM 1493 ND2 ASN A 93 2.297 3.726 -7.089 1.00 3.24 N flip ATOM 0 H ASN A 93 0.867 6.113 -10.375 1.00 72.53 H new ATOM 0 HA ASN A 93 -0.091 3.501 -9.628 1.00 64.14 H new ATOM 0 HB2 ASN A 93 0.687 6.039 -8.160 1.00 12.03 H new ATOM 0 HB3 ASN A 93 -0.021 4.681 -7.309 1.00 12.03 H new ATOM 0 HD21 ASN A 93 1.688 3.699 -6.271 1.00 3.24 H new ATOM 0 HD22 ASN A 93 3.215 3.283 -7.056 1.00 3.24 H new ATOM 1500 N LYS A 94 -2.059 6.138 -9.370 1.00 2.13 N ATOM 1501 CA LYS A 94 -3.448 6.554 -9.214 1.00 5.05 C ATOM 1502 C LYS A 94 -4.330 5.914 -10.280 1.00 53.33 C ATOM 1503 O LYS A 94 -5.424 5.434 -9.986 1.00 55.15 O ATOM 1504 CB LYS A 94 -3.557 8.078 -9.293 1.00 1.42 C ATOM 1505 CG LYS A 94 -4.978 8.595 -9.149 1.00 31.42 C ATOM 1506 CD LYS A 94 -5.010 9.963 -8.489 1.00 52.25 C ATOM 1507 CE LYS A 94 -4.821 11.077 -9.508 1.00 3.02 C ATOM 1508 NZ LYS A 94 -6.119 11.542 -10.069 1.00 52.12 N ATOM 0 H LYS A 94 -1.410 6.900 -9.565 1.00 2.13 H new ATOM 0 HA LYS A 94 -3.793 6.222 -8.235 1.00 5.05 H new ATOM 0 HB2 LYS A 94 -2.938 8.519 -8.512 1.00 1.42 H new ATOM 0 HB3 LYS A 94 -3.152 8.414 -10.248 1.00 1.42 H new ATOM 0 HG2 LYS A 94 -5.446 8.653 -10.132 1.00 31.42 H new ATOM 0 HG3 LYS A 94 -5.564 7.891 -8.558 1.00 31.42 H new ATOM 0 HD2 LYS A 94 -5.961 10.097 -7.973 1.00 52.25 H new ATOM 0 HD3 LYS A 94 -4.226 10.022 -7.734 1.00 52.25 H new ATOM 0 HE2 LYS A 94 -4.307 11.916 -9.038 1.00 3.02 H new ATOM 0 HE3 LYS A 94 -4.181 10.724 -10.317 1.00 3.02 H new ATOM 0 HZ1 LYS A 94 -5.947 12.301 -10.759 1.00 52.12 H new ATOM 0 HZ2 LYS A 94 -6.598 10.748 -10.540 1.00 52.12 H new ATOM 0 HZ3 LYS A 94 -6.720 11.902 -9.301 1.00 52.12 H new ATOM 1522 N GLU A 95 -3.846 5.911 -11.519 1.00 34.25 N ATOM 1523 CA GLU A 95 -4.593 5.329 -12.628 1.00 24.10 C ATOM 1524 C GLU A 95 -4.625 3.807 -12.523 1.00 35.12 C ATOM 1525 O GLU A 95 -5.618 3.171 -12.878 1.00 63.52 O ATOM 1526 CB GLU A 95 -3.972 5.746 -13.963 1.00 72.42 C ATOM 1527 CG GLU A 95 -4.936 5.661 -15.135 1.00 0.12 C ATOM 1528 CD GLU A 95 -5.001 4.271 -15.738 1.00 44.40 C ATOM 1529 OE1 GLU A 95 -4.188 3.412 -15.338 1.00 34.25 O ATOM 1530 OE2 GLU A 95 -5.864 4.044 -16.611 1.00 34.10 O ATOM 0 H GLU A 95 -2.942 6.304 -11.779 1.00 34.25 H new ATOM 0 HA GLU A 95 -5.616 5.701 -12.579 1.00 24.10 H new ATOM 0 HB2 GLU A 95 -3.604 6.769 -13.879 1.00 72.42 H new ATOM 0 HB3 GLU A 95 -3.109 5.112 -14.166 1.00 72.42 H new ATOM 0 HG2 GLU A 95 -5.932 5.956 -14.804 1.00 0.12 H new ATOM 0 HG3 GLU A 95 -4.632 6.372 -15.903 1.00 0.12 H new ATOM 1537 N TYR A 96 -3.534 3.230 -12.033 1.00 2.21 N ATOM 1538 CA TYR A 96 -3.435 1.783 -11.883 1.00 53.24 C ATOM 1539 C TYR A 96 -4.577 1.245 -11.027 1.00 14.02 C ATOM 1540 O TYR A 96 -5.275 0.309 -11.420 1.00 11.15 O ATOM 1541 CB TYR A 96 -2.092 1.404 -11.258 1.00 42.22 C ATOM 1542 CG TYR A 96 -1.951 -0.074 -10.976 1.00 21.54 C ATOM 1543 CD1 TYR A 96 -2.440 -0.626 -9.798 1.00 32.21 C ATOM 1544 CD2 TYR A 96 -1.328 -0.920 -11.885 1.00 40.45 C ATOM 1545 CE1 TYR A 96 -2.313 -1.977 -9.535 1.00 13.50 C ATOM 1546 CE2 TYR A 96 -1.198 -2.271 -11.632 1.00 21.34 C ATOM 1547 CZ TYR A 96 -1.692 -2.795 -10.455 1.00 41.11 C ATOM 1548 OH TYR A 96 -1.563 -4.141 -10.198 1.00 11.41 O ATOM 0 H TYR A 96 -2.705 3.742 -11.733 1.00 2.21 H new ATOM 0 HA TYR A 96 -3.506 1.335 -12.874 1.00 53.24 H new ATOM 0 HB2 TYR A 96 -1.289 1.716 -11.926 1.00 42.22 H new ATOM 0 HB3 TYR A 96 -1.965 1.957 -10.327 1.00 42.22 H new ATOM 0 HD1 TYR A 96 -2.928 0.012 -9.076 1.00 32.21 H new ATOM 0 HD2 TYR A 96 -0.938 -0.513 -12.806 1.00 40.45 H new ATOM 0 HE1 TYR A 96 -2.698 -2.390 -8.614 1.00 13.50 H new ATOM 0 HE2 TYR A 96 -0.712 -2.914 -12.351 1.00 21.34 H new ATOM 0 HH TYR A 96 -1.103 -4.574 -10.947 1.00 11.41 H new ATOM 1558 N CYS A 97 -4.762 1.844 -9.855 1.00 71.45 N ATOM 1559 CA CYS A 97 -5.819 1.426 -8.942 1.00 33.55 C ATOM 1560 C CYS A 97 -7.194 1.754 -9.514 1.00 53.10 C ATOM 1561 O CYS A 97 -8.158 1.019 -9.301 1.00 73.22 O ATOM 1562 CB CYS A 97 -5.644 2.104 -7.582 1.00 33.41 C ATOM 1563 SG CYS A 97 -3.972 1.979 -6.905 1.00 13.50 S ATOM 0 H CYS A 97 -4.194 2.620 -9.516 1.00 71.45 H new ATOM 0 HA CYS A 97 -5.748 0.346 -8.814 1.00 33.55 H new ATOM 0 HB2 CYS A 97 -5.909 3.157 -7.676 1.00 33.41 H new ATOM 0 HB3 CYS A 97 -6.345 1.661 -6.874 1.00 33.41 H new ATOM 0 HG CYS A 97 -3.162 2.710 -7.611 1.00 13.50 H new ATOM 1569 N SER A 98 -7.277 2.864 -10.240 1.00 54.41 N ATOM 1570 CA SER A 98 -8.536 3.294 -10.839 1.00 23.21 C ATOM 1571 C SER A 98 -8.944 2.359 -11.974 1.00 13.25 C ATOM 1572 O SER A 98 -10.071 2.417 -12.466 1.00 32.50 O ATOM 1573 CB SER A 98 -8.413 4.726 -11.362 1.00 14.31 C ATOM 1574 OG SER A 98 -9.673 5.228 -11.775 1.00 22.30 O ATOM 0 H SER A 98 -6.488 3.482 -10.428 1.00 54.41 H new ATOM 0 HA SER A 98 -9.307 3.261 -10.069 1.00 23.21 H new ATOM 0 HB2 SER A 98 -8.000 5.367 -10.583 1.00 14.31 H new ATOM 0 HB3 SER A 98 -7.715 4.752 -12.199 1.00 14.31 H new ATOM 0 HG SER A 98 -10.166 4.526 -12.249 1.00 22.30 H new ATOM 1580 N LYS A 99 -8.019 1.498 -12.384 1.00 55.12 N ATOM 1581 CA LYS A 99 -8.281 0.549 -13.460 1.00 1.02 C ATOM 1582 C LYS A 99 -9.507 -0.303 -13.148 1.00 13.43 C ATOM 1583 O LYS A 99 -10.158 -0.824 -14.053 1.00 0.14 O ATOM 1584 CB LYS A 99 -7.064 -0.352 -13.680 1.00 24.14 C ATOM 1585 CG LYS A 99 -7.009 -1.541 -12.736 1.00 62.22 C ATOM 1586 CD LYS A 99 -7.649 -2.773 -13.354 1.00 13.02 C ATOM 1587 CE LYS A 99 -7.011 -4.052 -12.835 1.00 31.40 C ATOM 1588 NZ LYS A 99 -6.524 -4.919 -13.944 1.00 54.21 N ATOM 0 H LYS A 99 -7.081 1.438 -11.988 1.00 55.12 H new ATOM 0 HA LYS A 99 -8.476 1.115 -14.371 1.00 1.02 H new ATOM 0 HB2 LYS A 99 -7.072 -0.715 -14.708 1.00 24.14 H new ATOM 0 HB3 LYS A 99 -6.157 0.240 -13.558 1.00 24.14 H new ATOM 0 HG2 LYS A 99 -5.971 -1.757 -12.482 1.00 62.22 H new ATOM 0 HG3 LYS A 99 -7.520 -1.292 -11.806 1.00 62.22 H new ATOM 0 HD2 LYS A 99 -8.716 -2.781 -13.131 1.00 13.02 H new ATOM 0 HD3 LYS A 99 -7.551 -2.730 -14.439 1.00 13.02 H new ATOM 0 HE2 LYS A 99 -6.178 -3.802 -12.177 1.00 31.40 H new ATOM 0 HE3 LYS A 99 -7.736 -4.602 -12.236 1.00 31.40 H new ATOM 0 HZ1 LYS A 99 -6.096 -5.781 -13.549 1.00 54.21 H new ATOM 0 HZ2 LYS A 99 -7.322 -5.179 -14.558 1.00 54.21 H new ATOM 0 HZ3 LYS A 99 -5.813 -4.403 -14.501 1.00 54.21 H new ATOM 1602 N GLU A 100 -9.817 -0.438 -11.862 1.00 1.40 N ATOM 1603 CA GLU A 100 -10.966 -1.226 -11.432 1.00 51.34 C ATOM 1604 C GLU A 100 -12.271 -0.501 -11.748 1.00 75.00 C ATOM 1605 O GLU A 100 -13.320 -1.126 -11.898 1.00 55.13 O ATOM 1606 CB GLU A 100 -10.881 -1.517 -9.933 1.00 13.44 C ATOM 1607 CG GLU A 100 -9.502 -1.961 -9.476 1.00 1.01 C ATOM 1608 CD GLU A 100 -9.018 -3.201 -10.202 1.00 52.04 C ATOM 1609 OE1 GLU A 100 -9.843 -3.851 -10.879 1.00 44.32 O ATOM 1610 OE2 GLU A 100 -7.816 -3.522 -10.094 1.00 53.23 O ATOM 0 H GLU A 100 -9.289 -0.012 -11.101 1.00 1.40 H new ATOM 0 HA GLU A 100 -10.953 -2.169 -11.978 1.00 51.34 H new ATOM 0 HB2 GLU A 100 -11.166 -0.622 -9.381 1.00 13.44 H new ATOM 0 HB3 GLU A 100 -11.605 -2.292 -9.680 1.00 13.44 H new ATOM 0 HG2 GLU A 100 -8.792 -1.150 -9.637 1.00 1.01 H new ATOM 0 HG3 GLU A 100 -9.524 -2.158 -8.404 1.00 1.01 H new ATOM 1617 N GLY A 101 -12.198 0.823 -11.846 1.00 62.03 N ATOM 1618 CA GLY A 101 -13.379 1.612 -12.143 1.00 34.35 C ATOM 1619 C GLY A 101 -14.130 2.024 -10.892 1.00 5.43 C ATOM 1620 O GLY A 101 -15.045 2.844 -10.951 1.00 41.10 O ATOM 0 H GLY A 101 -11.341 1.363 -11.725 1.00 62.03 H new ATOM 0 HA2 GLY A 101 -13.087 2.503 -12.698 1.00 34.35 H new ATOM 0 HA3 GLY A 101 -14.043 1.038 -12.789 1.00 34.35 H new ATOM 1624 N ASN A 102 -13.742 1.454 -9.756 1.00 21.33 N ATOM 1625 CA ASN A 102 -14.386 1.766 -8.485 1.00 31.51 C ATOM 1626 C ASN A 102 -13.348 2.006 -7.393 1.00 42.13 C ATOM 1627 O ASN A 102 -12.501 1.152 -7.127 1.00 34.31 O ATOM 1628 CB ASN A 102 -15.323 0.629 -8.072 1.00 21.43 C ATOM 1629 CG ASN A 102 -16.438 1.101 -7.159 1.00 51.12 C ATOM 1630 OD1 ASN A 102 -17.152 2.054 -7.474 1.00 64.44 O ATOM 1631 ND2 ASN A 102 -16.593 0.435 -6.021 1.00 1.34 N ATOM 0 H ASN A 102 -12.985 0.774 -9.689 1.00 21.33 H new ATOM 0 HA ASN A 102 -14.968 2.679 -8.615 1.00 31.51 H new ATOM 0 HB2 ASN A 102 -15.755 0.176 -8.964 1.00 21.43 H new ATOM 0 HB3 ASN A 102 -14.748 -0.147 -7.567 1.00 21.43 H new ATOM 0 HD21 ASN A 102 -17.327 0.707 -5.367 1.00 1.34 H new ATOM 0 HD22 ASN A 102 -15.978 -0.349 -5.801 1.00 1.34 H new ATOM 1638 N LEU A 103 -13.419 3.174 -6.764 1.00 62.12 N ATOM 1639 CA LEU A 103 -12.486 3.528 -5.700 1.00 64.21 C ATOM 1640 C LEU A 103 -13.100 3.267 -4.328 1.00 43.44 C ATOM 1641 O LEU A 103 -14.204 3.727 -4.033 1.00 43.10 O ATOM 1642 CB LEU A 103 -12.080 4.998 -5.819 1.00 65.20 C ATOM 1643 CG LEU A 103 -11.428 5.409 -7.140 1.00 10.43 C ATOM 1644 CD1 LEU A 103 -10.915 6.839 -7.059 1.00 62.30 C ATOM 1645 CD2 LEU A 103 -10.298 4.455 -7.498 1.00 35.44 C ATOM 0 H LEU A 103 -14.113 3.892 -6.972 1.00 62.12 H new ATOM 0 HA LEU A 103 -11.599 2.903 -5.805 1.00 64.21 H new ATOM 0 HB2 LEU A 103 -12.967 5.613 -5.668 1.00 65.20 H new ATOM 0 HB3 LEU A 103 -11.390 5.230 -5.008 1.00 65.20 H new ATOM 0 HG LEU A 103 -12.181 5.358 -7.926 1.00 10.43 H new ATOM 0 HD11 LEU A 103 -10.454 7.115 -8.008 1.00 62.30 H new ATOM 0 HD12 LEU A 103 -11.746 7.512 -6.850 1.00 62.30 H new ATOM 0 HD13 LEU A 103 -10.176 6.916 -6.261 1.00 62.30 H new ATOM 0 HD21 LEU A 103 -9.846 4.764 -8.441 1.00 35.44 H new ATOM 0 HD22 LEU A 103 -9.544 4.473 -6.711 1.00 35.44 H new ATOM 0 HD23 LEU A 103 -10.693 3.444 -7.599 1.00 35.44 H new ATOM 1657 N LEU A 104 -12.377 2.529 -3.493 1.00 51.31 N ATOM 1658 CA LEU A 104 -12.850 2.209 -2.150 1.00 45.35 C ATOM 1659 C LEU A 104 -12.468 3.307 -1.163 1.00 2.22 C ATOM 1660 O LEU A 104 -13.124 3.489 -0.138 1.00 21.24 O ATOM 1661 CB LEU A 104 -12.271 0.870 -1.691 1.00 2.14 C ATOM 1662 CG LEU A 104 -13.204 -0.016 -0.864 1.00 44.20 C ATOM 1663 CD1 LEU A 104 -13.568 0.667 0.445 1.00 5.40 C ATOM 1664 CD2 LEU A 104 -14.457 -0.356 -1.657 1.00 32.03 C ATOM 0 H LEU A 104 -11.462 2.141 -3.722 1.00 51.31 H new ATOM 0 HA LEU A 104 -13.937 2.136 -2.181 1.00 45.35 H new ATOM 0 HB2 LEU A 104 -11.958 0.311 -2.573 1.00 2.14 H new ATOM 0 HB3 LEU A 104 -11.374 1.067 -1.104 1.00 2.14 H new ATOM 0 HG LEU A 104 -12.682 -0.944 -0.632 1.00 44.20 H new ATOM 0 HD11 LEU A 104 -14.232 0.022 1.020 1.00 5.40 H new ATOM 0 HD12 LEU A 104 -12.662 0.859 1.020 1.00 5.40 H new ATOM 0 HD13 LEU A 104 -14.071 1.611 0.235 1.00 5.40 H new ATOM 0 HD21 LEU A 104 -15.110 -0.987 -1.053 1.00 32.03 H new ATOM 0 HD22 LEU A 104 -14.982 0.563 -1.920 1.00 32.03 H new ATOM 0 HD23 LEU A 104 -14.179 -0.888 -2.567 1.00 32.03 H new ATOM 1676 N MET A 105 -11.404 4.038 -1.480 1.00 71.13 N ATOM 1677 CA MET A 105 -10.937 5.121 -0.622 1.00 74.31 C ATOM 1678 C MET A 105 -10.091 6.114 -1.412 1.00 12.21 C ATOM 1679 O MET A 105 -9.248 5.721 -2.218 1.00 14.43 O ATOM 1680 CB MET A 105 -10.127 4.560 0.548 1.00 70.40 C ATOM 1681 CG MET A 105 -9.179 5.571 1.171 1.00 45.23 C ATOM 1682 SD MET A 105 -9.001 5.352 2.952 1.00 54.54 S ATOM 1683 CE MET A 105 -7.481 4.408 3.027 1.00 13.33 C ATOM 0 H MET A 105 -10.849 3.900 -2.325 1.00 71.13 H new ATOM 0 HA MET A 105 -11.810 5.644 -0.232 1.00 74.31 H new ATOM 0 HB2 MET A 105 -10.813 4.198 1.314 1.00 70.40 H new ATOM 0 HB3 MET A 105 -9.553 3.701 0.202 1.00 70.40 H new ATOM 0 HG2 MET A 105 -8.200 5.484 0.699 1.00 45.23 H new ATOM 0 HG3 MET A 105 -9.543 6.578 0.967 1.00 45.23 H new ATOM 0 HE1 MET A 105 -7.067 4.464 4.034 1.00 13.33 H new ATOM 0 HE2 MET A 105 -7.686 3.367 2.777 1.00 13.33 H new ATOM 0 HE3 MET A 105 -6.763 4.817 2.316 1.00 13.33 H new ATOM 1693 N GLU A 106 -10.323 7.402 -1.175 1.00 25.32 N ATOM 1694 CA GLU A 106 -9.581 8.450 -1.866 1.00 12.11 C ATOM 1695 C GLU A 106 -9.055 9.486 -0.877 1.00 50.51 C ATOM 1696 O GLU A 106 -9.814 10.305 -0.357 1.00 32.13 O ATOM 1697 CB GLU A 106 -10.470 9.130 -2.910 1.00 5.12 C ATOM 1698 CG GLU A 106 -9.704 9.650 -4.115 1.00 22.11 C ATOM 1699 CD GLU A 106 -10.223 10.988 -4.603 1.00 54.14 C ATOM 1700 OE1 GLU A 106 -9.936 12.011 -3.947 1.00 33.13 O ATOM 1701 OE2 GLU A 106 -10.917 11.013 -5.641 1.00 60.35 O ATOM 0 H GLU A 106 -11.018 7.744 -0.511 1.00 25.32 H new ATOM 0 HA GLU A 106 -8.731 7.988 -2.368 1.00 12.11 H new ATOM 0 HB2 GLU A 106 -11.226 8.421 -3.249 1.00 5.12 H new ATOM 0 HB3 GLU A 106 -10.999 9.960 -2.440 1.00 5.12 H new ATOM 0 HG2 GLU A 106 -8.649 9.746 -3.857 1.00 22.11 H new ATOM 0 HG3 GLU A 106 -9.769 8.922 -4.924 1.00 22.11 H new ATOM 1708 N CYS A 107 -7.752 9.444 -0.623 1.00 0.42 N ATOM 1709 CA CYS A 107 -7.123 10.378 0.305 1.00 54.54 C ATOM 1710 C CYS A 107 -5.708 10.724 -0.147 1.00 72.24 C ATOM 1711 O CYS A 107 -5.212 10.185 -1.136 1.00 33.22 O ATOM 1712 CB CYS A 107 -7.091 9.786 1.714 1.00 14.12 C ATOM 1713 SG CYS A 107 -8.726 9.485 2.426 1.00 71.35 S ATOM 0 H CYS A 107 -7.110 8.774 -1.046 1.00 0.42 H new ATOM 0 HA CYS A 107 -7.715 11.293 0.317 1.00 54.54 H new ATOM 0 HB2 CYS A 107 -6.539 8.847 1.689 1.00 14.12 H new ATOM 0 HB3 CYS A 107 -6.541 10.462 2.368 1.00 14.12 H new ATOM 0 HG CYS A 107 -9.642 9.824 1.568 1.00 71.35 H new ATOM 1719 N GLY A 108 -5.063 11.628 0.583 1.00 11.23 N ATOM 1720 CA GLY A 108 -3.712 12.032 0.241 1.00 62.41 C ATOM 1721 C GLY A 108 -3.638 12.730 -1.103 1.00 30.25 C ATOM 1722 O GLY A 108 -4.659 12.942 -1.756 1.00 62.44 O ATOM 0 H GLY A 108 -5.452 12.088 1.406 1.00 11.23 H new ATOM 0 HA2 GLY A 108 -3.328 12.698 1.014 1.00 62.41 H new ATOM 0 HA3 GLY A 108 -3.066 11.154 0.227 1.00 62.41 H new