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 91 GLN : amide:sc= -0.277 K(o=-0.27,f=-2.6) USER MOD Set 1.2: A 94 LYS NZ :NH3+ -156:sc= 0.00521 (180deg=0) USER MOD Set 2.1: A 89 THR OG1 : rot -94:sc= 1.01 USER MOD Set 2.2: A 92 GLN :FLIP amide:sc= -1.69! F(o=-1.6,f=-0.68!) USER MOD Set 3.1: A 68 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.4!) USER MOD Set 3.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 59 GLN :FLIP amide:sc= -4.39! C(o=-5.4!,f=-4.4!) USER MOD Set 4.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0866 K(o=-0.087,f=-0.61) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 19:sc= 0.308 USER MOD Single : A 22 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.17) USER MOD Single : A 23 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.36) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= -0.0266 (180deg=-0.469) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= 1.08 (180deg=0.895) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 0:sc= -0.36 USER MOD Single : A 57 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.7) USER MOD Single : A 63 ASN : amide:sc= -1.5 K(o=-1.5,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 69 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -141:sc= -0.662 (180deg=-2.21!) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.619 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.02) 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 93 ASN :FLIP amide:sc= -0.481 F(o=-2.7!,f=-0.48) USER MOD Single : A 97 CYS SG : rot 55:sc= -0.922 USER MOD Single : A 98 SER OG : rot -42:sc= 0.0445 USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= -0.085 (180deg=-0.398) USER MOD Single : A 102 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.97) USER MOD Single : A 105 MET CE :methyl 164:sc= -1.67 (180deg=-2.27) USER MOD Single : A 107 CYS SG : rot 26:sc= 0.364 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 15.604 -3.642 0.868 1.00 44.34 N ATOM 148 CA GLN A 12 15.633 -2.546 1.830 1.00 62.35 C ATOM 149 C GLN A 12 14.268 -1.874 1.930 1.00 40.21 C ATOM 150 O GLN A 12 13.422 -1.997 1.044 1.00 34.24 O ATOM 151 CB GLN A 12 16.693 -1.518 1.432 1.00 45.04 C ATOM 152 CG GLN A 12 17.992 -1.650 2.211 1.00 70.31 C ATOM 153 CD GLN A 12 18.942 -0.495 1.962 1.00 30.34 C ATOM 154 OE1 GLN A 12 19.716 -0.508 1.005 1.00 61.10 O ATOM 155 NE2 GLN A 12 18.888 0.512 2.826 1.00 52.33 N ATOM 0 HA GLN A 12 15.887 -2.959 2.806 1.00 62.35 H new ATOM 0 HB2 GLN A 12 16.905 -1.621 0.368 1.00 45.04 H new ATOM 0 HB3 GLN A 12 16.290 -0.516 1.581 1.00 45.04 H new ATOM 0 HG2 GLN A 12 17.768 -1.708 3.276 1.00 70.31 H new ATOM 0 HG3 GLN A 12 18.482 -2.584 1.937 1.00 70.31 H new ATOM 0 HE21 GLN A 12 18.231 0.481 3.605 1.00 52.33 H new ATOM 0 HE22 GLN A 12 19.504 1.317 2.710 1.00 52.33 H new ATOM 164 N PRO A 13 14.047 -1.145 3.034 1.00 75.11 N ATOM 165 CA PRO A 13 12.785 -0.438 3.276 1.00 22.51 C ATOM 166 C PRO A 13 12.596 0.748 2.337 1.00 75.53 C ATOM 167 O PRO A 13 13.562 1.402 1.944 1.00 12.44 O ATOM 168 CB PRO A 13 12.920 0.042 4.723 1.00 30.23 C ATOM 169 CG PRO A 13 14.388 0.138 4.955 1.00 4.32 C ATOM 170 CD PRO A 13 15.011 -0.954 4.131 1.00 75.44 C ATOM 0 HA PRO A 13 11.920 -1.078 3.103 1.00 22.51 H new ATOM 0 HB2 PRO A 13 12.433 1.006 4.867 1.00 30.23 H new ATOM 0 HB3 PRO A 13 12.454 -0.658 5.417 1.00 30.23 H new ATOM 0 HG2 PRO A 13 14.767 1.116 4.657 1.00 4.32 H new ATOM 0 HG3 PRO A 13 14.625 0.013 6.012 1.00 4.32 H new ATOM 0 HD2 PRO A 13 15.993 -0.665 3.757 1.00 75.44 H new ATOM 0 HD3 PRO A 13 15.147 -1.867 4.710 1.00 75.44 H new ATOM 178 N HIS A 14 11.344 1.019 1.979 1.00 4.43 N ATOM 179 CA HIS A 14 11.028 2.128 1.086 1.00 2.31 C ATOM 180 C HIS A 14 9.813 2.902 1.589 1.00 22.13 C ATOM 181 O HIS A 14 9.214 2.546 2.604 1.00 32.01 O ATOM 182 CB HIS A 14 10.768 1.612 -0.330 1.00 4.44 C ATOM 183 CG HIS A 14 11.987 1.049 -0.995 1.00 15.52 C ATOM 184 ND1 HIS A 14 12.306 -0.292 -0.969 1.00 4.44 N ATOM 185 CD2 HIS A 14 12.964 1.654 -1.709 1.00 45.10 C ATOM 186 CE1 HIS A 14 13.429 -0.487 -1.636 1.00 64.24 C ATOM 187 NE2 HIS A 14 13.849 0.678 -2.096 1.00 60.32 N ATOM 0 H HIS A 14 10.533 0.486 2.294 1.00 4.43 H new ATOM 0 HA HIS A 14 11.884 2.802 1.068 1.00 2.31 H new ATOM 0 HB2 HIS A 14 9.997 0.843 -0.292 1.00 4.44 H new ATOM 0 HB3 HIS A 14 10.376 2.427 -0.939 1.00 4.44 H new ATOM 0 HD2 HIS A 14 13.035 2.708 -1.933 1.00 45.10 H new ATOM 0 HE1 HIS A 14 13.921 -1.438 -1.781 1.00 64.24 H new ATOM 0 HE2 HIS A 14 14.693 0.828 -2.649 1.00 60.32 H new ATOM 195 N LYS A 15 9.455 3.963 0.873 1.00 22.55 N ATOM 196 CA LYS A 15 8.312 4.787 1.246 1.00 52.00 C ATOM 197 C LYS A 15 7.111 4.487 0.354 1.00 21.25 C ATOM 198 O LYS A 15 6.158 5.264 0.299 1.00 35.42 O ATOM 199 CB LYS A 15 8.674 6.271 1.149 1.00 32.25 C ATOM 200 CG LYS A 15 9.341 6.650 -0.161 1.00 54.25 C ATOM 201 CD LYS A 15 10.780 7.088 0.051 1.00 21.42 C ATOM 202 CE LYS A 15 10.876 8.584 0.306 1.00 0.03 C ATOM 203 NZ LYS A 15 11.576 8.885 1.586 1.00 62.23 N ATOM 0 H LYS A 15 9.941 4.272 0.031 1.00 22.55 H new ATOM 0 HA LYS A 15 8.046 4.550 2.276 1.00 52.00 H new ATOM 0 HB2 LYS A 15 7.769 6.866 1.272 1.00 32.25 H new ATOM 0 HB3 LYS A 15 9.339 6.529 1.973 1.00 32.25 H new ATOM 0 HG2 LYS A 15 9.315 5.800 -0.842 1.00 54.25 H new ATOM 0 HG3 LYS A 15 8.781 7.456 -0.636 1.00 54.25 H new ATOM 0 HD2 LYS A 15 11.206 6.546 0.895 1.00 21.42 H new ATOM 0 HD3 LYS A 15 11.373 6.829 -0.826 1.00 21.42 H new ATOM 0 HE2 LYS A 15 11.407 9.060 -0.519 1.00 0.03 H new ATOM 0 HE3 LYS A 15 9.874 9.013 0.330 1.00 0.03 H new ATOM 0 HZ1 LYS A 15 11.621 9.915 1.723 1.00 62.23 H new ATOM 0 HZ2 LYS A 15 11.056 8.453 2.376 1.00 62.23 H new ATOM 0 HZ3 LYS A 15 12.541 8.498 1.554 1.00 62.23 H new ATOM 217 N ARG A 16 7.164 3.355 -0.340 1.00 50.25 N ATOM 218 CA ARG A 16 6.080 2.953 -1.229 1.00 24.10 C ATOM 219 C ARG A 16 5.794 1.460 -1.095 1.00 55.23 C ATOM 220 O ARG A 16 6.684 0.629 -1.270 1.00 64.05 O ATOM 221 CB ARG A 16 6.431 3.288 -2.680 1.00 31.21 C ATOM 222 CG ARG A 16 6.611 4.775 -2.935 1.00 41.32 C ATOM 223 CD ARG A 16 8.041 5.103 -3.336 1.00 71.52 C ATOM 224 NE ARG A 16 8.268 4.903 -4.765 1.00 51.11 N ATOM 225 CZ ARG A 16 9.475 4.815 -5.312 1.00 42.11 C ATOM 226 NH1 ARG A 16 10.559 4.908 -4.554 1.00 13.03 N ATOM 227 NH2 ARG A 16 9.600 4.633 -6.621 1.00 4.25 N ATOM 0 H ARG A 16 7.945 2.700 -0.304 1.00 50.25 H new ATOM 0 HA ARG A 16 5.185 3.505 -0.943 1.00 24.10 H new ATOM 0 HB2 ARG A 16 7.349 2.768 -2.952 1.00 31.21 H new ATOM 0 HB3 ARG A 16 5.644 2.909 -3.332 1.00 31.21 H new ATOM 0 HG2 ARG A 16 5.929 5.095 -3.722 1.00 41.32 H new ATOM 0 HG3 ARG A 16 6.347 5.334 -2.037 1.00 41.32 H new ATOM 0 HD2 ARG A 16 8.262 6.138 -3.075 1.00 71.52 H new ATOM 0 HD3 ARG A 16 8.729 4.477 -2.768 1.00 71.52 H new ATOM 0 HE ARG A 16 7.455 4.827 -5.376 1.00 51.11 H new ATOM 0 HH11 ARG A 16 10.467 5.048 -3.548 1.00 13.03 H new ATOM 0 HH12 ARG A 16 11.485 4.840 -4.977 1.00 13.03 H new ATOM 0 HH21 ARG A 16 8.769 4.561 -7.208 1.00 4.25 H new ATOM 0 HH22 ARG A 16 10.527 4.566 -7.040 1.00 4.25 H new ATOM 241 N TRP A 17 4.546 1.129 -0.784 1.00 31.33 N ATOM 242 CA TRP A 17 4.142 -0.264 -0.626 1.00 0.11 C ATOM 243 C TRP A 17 2.684 -0.457 -1.028 1.00 41.23 C ATOM 244 O TRP A 17 1.819 0.338 -0.662 1.00 55.55 O ATOM 245 CB TRP A 17 4.349 -0.716 0.821 1.00 53.52 C ATOM 246 CG TRP A 17 5.792 -0.861 1.197 1.00 22.11 C ATOM 247 CD1 TRP A 17 6.578 0.073 1.809 1.00 13.34 C ATOM 248 CD2 TRP A 17 6.622 -2.008 0.984 1.00 70.13 C ATOM 249 NE1 TRP A 17 7.846 -0.424 1.989 1.00 0.25 N ATOM 250 CE2 TRP A 17 7.899 -1.699 1.492 1.00 33.13 C ATOM 251 CE3 TRP A 17 6.410 -3.267 0.415 1.00 43.34 C ATOM 252 CZ2 TRP A 17 8.957 -2.603 1.446 1.00 33.14 C ATOM 253 CZ3 TRP A 17 7.461 -4.163 0.369 1.00 5.45 C ATOM 254 CH2 TRP A 17 8.721 -3.828 0.883 1.00 3.15 C ATOM 0 H TRP A 17 3.797 1.805 -0.636 1.00 31.33 H new ATOM 0 HA TRP A 17 4.764 -0.873 -1.282 1.00 0.11 H new ATOM 0 HB2 TRP A 17 3.877 0.004 1.490 1.00 53.52 H new ATOM 0 HB3 TRP A 17 3.844 -1.670 0.972 1.00 53.52 H new ATOM 0 HD1 TRP A 17 6.251 1.058 2.108 1.00 13.34 H new ATOM 0 HE1 TRP A 17 8.622 0.076 2.423 1.00 0.25 H new ATOM 0 HE3 TRP A 17 5.442 -3.535 0.018 1.00 43.34 H new ATOM 0 HZ2 TRP A 17 9.929 -2.347 1.840 1.00 33.14 H new ATOM 0 HZ3 TRP A 17 7.309 -5.138 -0.070 1.00 5.45 H new ATOM 0 HH2 TRP A 17 9.522 -4.551 0.834 1.00 3.15 H new ATOM 265 N VAL A 18 2.418 -1.518 -1.783 1.00 64.14 N ATOM 266 CA VAL A 18 1.064 -1.816 -2.234 1.00 42.22 C ATOM 267 C VAL A 18 0.497 -3.029 -1.506 1.00 14.24 C ATOM 268 O VAL A 18 1.239 -3.823 -0.928 1.00 1.14 O ATOM 269 CB VAL A 18 1.022 -2.076 -3.752 1.00 24.43 C ATOM 270 CG1 VAL A 18 1.514 -0.857 -4.517 1.00 13.13 C ATOM 271 CG2 VAL A 18 1.847 -3.305 -4.104 1.00 4.02 C ATOM 0 H VAL A 18 3.123 -2.186 -2.095 1.00 64.14 H new ATOM 0 HA VAL A 18 0.455 -0.941 -2.006 1.00 42.22 H new ATOM 0 HB VAL A 18 -0.012 -2.264 -4.042 1.00 24.43 H new ATOM 0 HG11 VAL A 18 1.477 -1.060 -5.587 1.00 13.13 H new ATOM 0 HG12 VAL A 18 0.878 -0.002 -4.287 1.00 13.13 H new ATOM 0 HG13 VAL A 18 2.540 -0.634 -4.225 1.00 13.13 H new ATOM 0 HG21 VAL A 18 1.807 -3.474 -5.180 1.00 4.02 H new ATOM 0 HG22 VAL A 18 2.882 -3.148 -3.800 1.00 4.02 H new ATOM 0 HG23 VAL A 18 1.444 -4.175 -3.584 1.00 4.02 H new ATOM 281 N PHE A 19 -0.825 -3.166 -1.537 1.00 62.34 N ATOM 282 CA PHE A 19 -1.493 -4.283 -0.879 1.00 52.14 C ATOM 283 C PHE A 19 -2.572 -4.878 -1.780 1.00 10.13 C ATOM 284 O PHE A 19 -3.244 -4.160 -2.522 1.00 22.43 O ATOM 285 CB PHE A 19 -2.112 -3.827 0.444 1.00 43.43 C ATOM 286 CG PHE A 19 -3.019 -2.638 0.303 1.00 74.32 C ATOM 287 CD1 PHE A 19 -2.499 -1.356 0.236 1.00 63.25 C ATOM 288 CD2 PHE A 19 -4.394 -2.804 0.238 1.00 4.51 C ATOM 289 CE1 PHE A 19 -3.331 -0.260 0.105 1.00 32.45 C ATOM 290 CE2 PHE A 19 -5.231 -1.712 0.108 1.00 40.33 C ATOM 291 CZ PHE A 19 -4.699 -0.439 0.043 1.00 53.45 C ATOM 0 H PHE A 19 -1.454 -2.518 -2.010 1.00 62.34 H new ATOM 0 HA PHE A 19 -0.748 -5.052 -0.677 1.00 52.14 H new ATOM 0 HB2 PHE A 19 -2.675 -4.654 0.877 1.00 43.43 H new ATOM 0 HB3 PHE A 19 -1.313 -3.584 1.145 1.00 43.43 H new ATOM 0 HD1 PHE A 19 -1.430 -1.211 0.287 1.00 63.25 H new ATOM 0 HD2 PHE A 19 -4.815 -3.797 0.290 1.00 4.51 H new ATOM 0 HE1 PHE A 19 -2.912 0.734 0.051 1.00 32.45 H new ATOM 0 HE2 PHE A 19 -6.300 -1.854 0.057 1.00 40.33 H new ATOM 0 HZ PHE A 19 -5.352 0.415 -0.056 1.00 53.45 H new ATOM 301 N THR A 20 -2.733 -6.196 -1.709 1.00 45.24 N ATOM 302 CA THR A 20 -3.727 -6.889 -2.518 1.00 54.22 C ATOM 303 C THR A 20 -4.244 -8.134 -1.807 1.00 24.22 C ATOM 304 O THR A 20 -3.462 -8.969 -1.349 1.00 12.13 O ATOM 305 CB THR A 20 -3.153 -7.295 -3.889 1.00 33.04 C ATOM 306 OG1 THR A 20 -2.120 -8.272 -3.717 1.00 13.30 O ATOM 307 CG2 THR A 20 -2.597 -6.084 -4.623 1.00 23.44 C ATOM 0 H THR A 20 -2.187 -6.805 -1.099 1.00 45.24 H new ATOM 0 HA THR A 20 -4.551 -6.192 -2.670 1.00 54.22 H new ATOM 0 HB THR A 20 -3.960 -7.721 -4.485 1.00 33.04 H new ATOM 0 HG1 THR A 20 -2.202 -8.682 -2.831 1.00 13.30 H new ATOM 0 HG21 THR A 20 -2.197 -6.395 -5.588 1.00 23.44 H new ATOM 0 HG22 THR A 20 -3.393 -5.355 -4.778 1.00 23.44 H new ATOM 0 HG23 THR A 20 -1.802 -5.632 -4.030 1.00 23.44 H new ATOM 315 N LEU A 21 -5.564 -8.254 -1.718 1.00 24.53 N ATOM 316 CA LEU A 21 -6.185 -9.400 -1.062 1.00 40.01 C ATOM 317 C LEU A 21 -7.417 -9.865 -1.831 1.00 71.44 C ATOM 318 O LEU A 21 -8.225 -9.053 -2.280 1.00 5.33 O ATOM 319 CB LEU A 21 -6.571 -9.043 0.374 1.00 13.23 C ATOM 320 CG LEU A 21 -7.190 -10.169 1.203 1.00 71.12 C ATOM 321 CD1 LEU A 21 -6.146 -10.798 2.113 1.00 53.13 C ATOM 322 CD2 LEU A 21 -8.366 -9.649 2.017 1.00 42.43 C ATOM 0 H LEU A 21 -6.225 -7.573 -2.091 1.00 24.53 H new ATOM 0 HA LEU A 21 -5.461 -10.214 -1.045 1.00 40.01 H new ATOM 0 HB2 LEU A 21 -5.680 -8.687 0.890 1.00 13.23 H new ATOM 0 HB3 LEU A 21 -7.276 -8.212 0.344 1.00 13.23 H new ATOM 0 HG LEU A 21 -7.557 -10.936 0.521 1.00 71.12 H new ATOM 0 HD11 LEU A 21 -6.605 -11.597 2.695 1.00 53.13 H new ATOM 0 HD12 LEU A 21 -5.336 -11.208 1.509 1.00 53.13 H new ATOM 0 HD13 LEU A 21 -5.748 -10.040 2.788 1.00 53.13 H new ATOM 0 HD21 LEU A 21 -8.794 -10.464 2.600 1.00 42.43 H new ATOM 0 HD22 LEU A 21 -8.024 -8.862 2.689 1.00 42.43 H new ATOM 0 HD23 LEU A 21 -9.124 -9.247 1.345 1.00 42.43 H new ATOM 334 N ASN A 22 -7.555 -11.179 -1.978 1.00 75.12 N ATOM 335 CA ASN A 22 -8.690 -11.753 -2.692 1.00 35.12 C ATOM 336 C ASN A 22 -9.887 -11.926 -1.761 1.00 51.13 C ATOM 337 O ASN A 22 -9.745 -12.391 -0.631 1.00 52.22 O ATOM 338 CB ASN A 22 -8.306 -13.102 -3.303 1.00 31.23 C ATOM 339 CG ASN A 22 -8.357 -14.231 -2.291 1.00 14.41 C ATOM 340 OD1 ASN A 22 -9.360 -14.937 -2.183 1.00 22.04 O ATOM 341 ND2 ASN A 22 -7.274 -14.405 -1.544 1.00 4.45 N ATOM 0 H ASN A 22 -6.895 -11.866 -1.612 1.00 75.12 H new ATOM 0 HA ASN A 22 -8.969 -11.066 -3.491 1.00 35.12 H new ATOM 0 HB2 ASN A 22 -8.979 -13.328 -4.130 1.00 31.23 H new ATOM 0 HB3 ASN A 22 -7.301 -13.036 -3.719 1.00 31.23 H new ATOM 0 HD21 ASN A 22 -7.250 -15.148 -0.846 1.00 4.45 H new ATOM 0 HD22 ASN A 22 -6.465 -13.796 -1.668 1.00 4.45 H new ATOM 348 N ASN A 23 -11.066 -11.549 -2.246 1.00 2.43 N ATOM 349 CA ASN A 23 -12.288 -11.662 -1.458 1.00 3.13 C ATOM 350 C ASN A 23 -12.107 -11.031 -0.080 1.00 52.14 C ATOM 351 O ASN A 23 -12.135 -11.707 0.948 1.00 21.11 O ATOM 352 CB ASN A 23 -12.689 -13.131 -1.309 1.00 54.24 C ATOM 353 CG ASN A 23 -13.944 -13.306 -0.475 1.00 44.20 C ATOM 354 OD1 ASN A 23 -13.999 -14.158 0.412 1.00 62.14 O ATOM 355 ND2 ASN A 23 -14.959 -12.497 -0.756 1.00 63.33 N ATOM 0 H ASN A 23 -11.201 -11.163 -3.180 1.00 2.43 H new ATOM 0 HA ASN A 23 -13.080 -11.127 -1.982 1.00 3.13 H new ATOM 0 HB2 ASN A 23 -12.849 -13.563 -2.297 1.00 54.24 H new ATOM 0 HB3 ASN A 23 -11.870 -13.683 -0.848 1.00 54.24 H new ATOM 0 HD21 ASN A 23 -15.829 -12.567 -0.228 1.00 63.33 H new ATOM 0 HD22 ASN A 23 -14.869 -11.805 -1.500 1.00 63.33 H new ATOM 362 N PRO A 24 -11.918 -9.703 -0.058 1.00 33.20 N ATOM 363 CA PRO A 24 -11.731 -8.951 1.186 1.00 22.13 C ATOM 364 C PRO A 24 -13.006 -8.882 2.020 1.00 63.41 C ATOM 365 O PRO A 24 -14.111 -8.846 1.479 1.00 0.32 O ATOM 366 CB PRO A 24 -11.334 -7.555 0.700 1.00 4.14 C ATOM 367 CG PRO A 24 -11.921 -7.448 -0.665 1.00 3.44 C ATOM 368 CD PRO A 24 -11.874 -8.834 -1.246 1.00 1.34 C ATOM 0 HA PRO A 24 -10.991 -9.418 1.837 1.00 22.13 H new ATOM 0 HB2 PRO A 24 -11.724 -6.780 1.360 1.00 4.14 H new ATOM 0 HB3 PRO A 24 -10.251 -7.438 0.675 1.00 4.14 H new ATOM 0 HG2 PRO A 24 -12.945 -7.078 -0.621 1.00 3.44 H new ATOM 0 HG3 PRO A 24 -11.355 -6.748 -1.279 1.00 3.44 H new ATOM 0 HD2 PRO A 24 -12.717 -9.020 -1.911 1.00 1.34 H new ATOM 0 HD3 PRO A 24 -10.967 -8.995 -1.828 1.00 1.34 H new ATOM 376 N SER A 25 -12.845 -8.865 3.339 1.00 5.21 N ATOM 377 CA SER A 25 -13.984 -8.804 4.248 1.00 45.24 C ATOM 378 C SER A 25 -14.320 -7.358 4.601 1.00 24.21 C ATOM 379 O SER A 25 -13.475 -6.470 4.492 1.00 55.41 O ATOM 380 CB SER A 25 -13.689 -9.597 5.522 1.00 33.22 C ATOM 381 OG SER A 25 -13.691 -10.991 5.267 1.00 62.10 O ATOM 0 H SER A 25 -11.937 -8.893 3.802 1.00 5.21 H new ATOM 0 HA SER A 25 -14.844 -9.246 3.745 1.00 45.24 H new ATOM 0 HB2 SER A 25 -12.720 -9.299 5.924 1.00 33.22 H new ATOM 0 HB3 SER A 25 -14.435 -9.362 6.281 1.00 33.22 H new ATOM 0 HG SER A 25 -13.498 -11.476 6.097 1.00 62.10 H new ATOM 387 N GLU A 26 -15.559 -7.132 5.025 1.00 10.02 N ATOM 388 CA GLU A 26 -16.007 -5.794 5.394 1.00 74.30 C ATOM 389 C GLU A 26 -15.111 -5.199 6.477 1.00 75.54 C ATOM 390 O GLU A 26 -14.936 -3.983 6.553 1.00 34.34 O ATOM 391 CB GLU A 26 -17.457 -5.835 5.882 1.00 52.44 C ATOM 392 CG GLU A 26 -18.419 -5.063 4.994 1.00 13.44 C ATOM 393 CD GLU A 26 -19.586 -4.480 5.768 1.00 52.12 C ATOM 394 OE1 GLU A 26 -19.346 -3.840 6.813 1.00 42.34 O ATOM 395 OE2 GLU A 26 -20.740 -4.664 5.327 1.00 33.34 O ATOM 0 H GLU A 26 -16.270 -7.857 5.122 1.00 10.02 H new ATOM 0 HA GLU A 26 -15.946 -5.161 4.509 1.00 74.30 H new ATOM 0 HB2 GLU A 26 -17.783 -6.874 5.940 1.00 52.44 H new ATOM 0 HB3 GLU A 26 -17.503 -5.429 6.893 1.00 52.44 H new ATOM 0 HG2 GLU A 26 -17.880 -4.258 4.495 1.00 13.44 H new ATOM 0 HG3 GLU A 26 -18.798 -5.724 4.215 1.00 13.44 H new ATOM 402 N ASP A 27 -14.548 -6.066 7.311 1.00 5.42 N ATOM 403 CA ASP A 27 -13.669 -5.627 8.390 1.00 72.23 C ATOM 404 C ASP A 27 -12.275 -5.308 7.859 1.00 11.42 C ATOM 405 O ASP A 27 -11.650 -4.334 8.278 1.00 51.01 O ATOM 406 CB ASP A 27 -13.582 -6.702 9.474 1.00 62.41 C ATOM 407 CG ASP A 27 -14.820 -6.745 10.348 1.00 62.20 C ATOM 408 OD1 ASP A 27 -15.894 -7.125 9.837 1.00 15.20 O ATOM 409 OD2 ASP A 27 -14.714 -6.400 11.543 1.00 22.02 O ATOM 0 H ASP A 27 -14.684 -7.076 7.261 1.00 5.42 H new ATOM 0 HA ASP A 27 -14.090 -4.719 8.822 1.00 72.23 H new ATOM 0 HB2 ASP A 27 -13.438 -7.675 9.005 1.00 62.41 H new ATOM 0 HB3 ASP A 27 -12.707 -6.515 10.097 1.00 62.41 H new ATOM 414 N GLU A 28 -11.794 -6.135 6.936 1.00 34.25 N ATOM 415 CA GLU A 28 -10.473 -5.941 6.351 1.00 52.21 C ATOM 416 C GLU A 28 -10.398 -4.611 5.606 1.00 34.01 C ATOM 417 O GLU A 28 -9.467 -3.830 5.801 1.00 62.14 O ATOM 418 CB GLU A 28 -10.139 -7.091 5.399 1.00 42.25 C ATOM 419 CG GLU A 28 -8.772 -7.707 5.644 1.00 3.33 C ATOM 420 CD GLU A 28 -8.737 -8.574 6.888 1.00 55.22 C ATOM 421 OE1 GLU A 28 -9.335 -9.670 6.864 1.00 11.22 O ATOM 422 OE2 GLU A 28 -8.112 -8.156 7.885 1.00 53.51 O ATOM 0 H GLU A 28 -12.299 -6.945 6.578 1.00 34.25 H new ATOM 0 HA GLU A 28 -9.744 -5.926 7.161 1.00 52.21 H new ATOM 0 HB2 GLU A 28 -10.900 -7.865 5.497 1.00 42.25 H new ATOM 0 HB3 GLU A 28 -10.185 -6.727 4.373 1.00 42.25 H new ATOM 0 HG2 GLU A 28 -8.488 -8.307 4.779 1.00 3.33 H new ATOM 0 HG3 GLU A 28 -8.031 -6.913 5.738 1.00 3.33 H new ATOM 429 N ARG A 29 -11.386 -4.361 4.753 1.00 61.35 N ATOM 430 CA ARG A 29 -11.432 -3.128 3.977 1.00 42.31 C ATOM 431 C ARG A 29 -11.683 -1.925 4.882 1.00 34.42 C ATOM 432 O ARG A 29 -11.218 -0.819 4.608 1.00 61.25 O ATOM 433 CB ARG A 29 -12.523 -3.212 2.908 1.00 33.33 C ATOM 434 CG ARG A 29 -12.316 -4.343 1.914 1.00 22.00 C ATOM 435 CD ARG A 29 -13.628 -5.031 1.572 1.00 62.45 C ATOM 436 NE ARG A 29 -14.601 -4.103 1.003 1.00 11.33 N ATOM 437 CZ ARG A 29 -15.905 -4.350 0.943 1.00 22.30 C ATOM 438 NH1 ARG A 29 -16.389 -5.491 1.414 1.00 22.22 N ATOM 439 NH2 ARG A 29 -16.727 -3.455 0.411 1.00 34.31 N ATOM 0 H ARG A 29 -12.165 -4.996 4.582 1.00 61.35 H new ATOM 0 HA ARG A 29 -10.465 -2.999 3.490 1.00 42.31 H new ATOM 0 HB2 ARG A 29 -13.489 -3.341 3.396 1.00 33.33 H new ATOM 0 HB3 ARG A 29 -12.563 -2.267 2.367 1.00 33.33 H new ATOM 0 HG2 ARG A 29 -11.862 -3.951 1.004 1.00 22.00 H new ATOM 0 HG3 ARG A 29 -11.620 -5.071 2.330 1.00 22.00 H new ATOM 0 HD2 ARG A 29 -13.440 -5.838 0.864 1.00 62.45 H new ATOM 0 HD3 ARG A 29 -14.044 -5.486 2.471 1.00 62.45 H new ATOM 0 HE ARG A 29 -14.261 -3.216 0.631 1.00 11.33 H new ATOM 0 HH11 ARG A 29 -15.760 -6.181 1.824 1.00 22.22 H new ATOM 0 HH12 ARG A 29 -17.391 -5.678 1.367 1.00 22.22 H new ATOM 0 HH21 ARG A 29 -16.358 -2.576 0.048 1.00 34.31 H new ATOM 0 HH22 ARG A 29 -17.728 -3.646 0.365 1.00 34.31 H new ATOM 453 N LYS A 30 -12.423 -2.150 5.963 1.00 54.43 N ATOM 454 CA LYS A 30 -12.737 -1.086 6.910 1.00 73.32 C ATOM 455 C LYS A 30 -11.495 -0.668 7.689 1.00 2.14 C ATOM 456 O LYS A 30 -11.258 0.520 7.909 1.00 2.21 O ATOM 457 CB LYS A 30 -13.830 -1.544 7.878 1.00 30.25 C ATOM 458 CG LYS A 30 -15.235 -1.193 7.420 1.00 30.43 C ATOM 459 CD LYS A 30 -16.288 -1.862 8.288 1.00 22.13 C ATOM 460 CE LYS A 30 -17.242 -0.843 8.891 1.00 13.14 C ATOM 461 NZ LYS A 30 -17.925 -0.034 7.844 1.00 61.35 N ATOM 0 H LYS A 30 -12.816 -3.059 6.205 1.00 54.43 H new ATOM 0 HA LYS A 30 -13.097 -0.225 6.346 1.00 73.32 H new ATOM 0 HB2 LYS A 30 -13.759 -2.624 8.009 1.00 30.25 H new ATOM 0 HB3 LYS A 30 -13.652 -1.092 8.854 1.00 30.25 H new ATOM 0 HG2 LYS A 30 -15.369 -0.112 7.452 1.00 30.43 H new ATOM 0 HG3 LYS A 30 -15.368 -1.501 6.383 1.00 30.43 H new ATOM 0 HD2 LYS A 30 -16.850 -2.580 7.691 1.00 22.13 H new ATOM 0 HD3 LYS A 30 -15.801 -2.423 9.086 1.00 22.13 H new ATOM 0 HE2 LYS A 30 -17.988 -1.358 9.496 1.00 13.14 H new ATOM 0 HE3 LYS A 30 -16.691 -0.181 9.559 1.00 13.14 H new ATOM 0 HZ1 LYS A 30 -18.828 0.324 8.216 1.00 61.35 H new ATOM 0 HZ2 LYS A 30 -17.319 0.767 7.574 1.00 61.35 H new ATOM 0 HZ3 LYS A 30 -18.105 -0.628 7.009 1.00 61.35 H new ATOM 475 N LYS A 31 -10.703 -1.651 8.104 1.00 34.14 N ATOM 476 CA LYS A 31 -9.483 -1.386 8.857 1.00 12.32 C ATOM 477 C LYS A 31 -8.495 -0.577 8.024 1.00 44.15 C ATOM 478 O LYS A 31 -8.000 0.461 8.465 1.00 52.15 O ATOM 479 CB LYS A 31 -8.837 -2.700 9.301 1.00 60.23 C ATOM 480 CG LYS A 31 -7.433 -2.531 9.856 1.00 14.11 C ATOM 481 CD LYS A 31 -6.828 -3.865 10.258 1.00 32.42 C ATOM 482 CE LYS A 31 -5.399 -4.004 9.755 1.00 14.53 C ATOM 483 NZ LYS A 31 -4.493 -2.998 10.376 1.00 53.11 N ATOM 0 H LYS A 31 -10.885 -2.640 7.931 1.00 34.14 H new ATOM 0 HA LYS A 31 -9.750 -0.804 9.739 1.00 12.32 H new ATOM 0 HB2 LYS A 31 -9.465 -3.165 10.060 1.00 60.23 H new ATOM 0 HB3 LYS A 31 -8.803 -3.383 8.453 1.00 60.23 H new ATOM 0 HG2 LYS A 31 -6.800 -2.054 9.108 1.00 14.11 H new ATOM 0 HG3 LYS A 31 -7.460 -1.867 10.720 1.00 14.11 H new ATOM 0 HD2 LYS A 31 -6.843 -3.960 11.344 1.00 32.42 H new ATOM 0 HD3 LYS A 31 -7.436 -4.677 9.858 1.00 32.42 H new ATOM 0 HE2 LYS A 31 -5.033 -5.007 9.974 1.00 14.53 H new ATOM 0 HE3 LYS A 31 -5.382 -3.888 8.671 1.00 14.53 H new ATOM 0 HZ1 LYS A 31 -3.619 -2.926 9.817 1.00 53.11 H new ATOM 0 HZ2 LYS A 31 -4.966 -2.072 10.399 1.00 53.11 H new ATOM 0 HZ3 LYS A 31 -4.261 -3.292 11.346 1.00 53.11 H new ATOM 497 N ILE A 32 -8.212 -1.058 6.818 1.00 52.14 N ATOM 498 CA ILE A 32 -7.285 -0.378 5.922 1.00 2.52 C ATOM 499 C ILE A 32 -7.815 0.995 5.521 1.00 22.04 C ATOM 500 O ILE A 32 -7.062 1.966 5.452 1.00 43.42 O ATOM 501 CB ILE A 32 -7.021 -1.205 4.650 1.00 1.13 C ATOM 502 CG1 ILE A 32 -6.037 -2.338 4.948 1.00 60.31 C ATOM 503 CG2 ILE A 32 -6.489 -0.313 3.539 1.00 40.41 C ATOM 504 CD1 ILE A 32 -5.831 -3.281 3.783 1.00 31.11 C ATOM 0 H ILE A 32 -8.612 -1.916 6.439 1.00 52.14 H new ATOM 0 HA ILE A 32 -6.349 -0.259 6.468 1.00 2.52 H new ATOM 0 HB ILE A 32 -7.962 -1.644 4.318 1.00 1.13 H new ATOM 0 HG12 ILE A 32 -5.076 -1.909 5.232 1.00 60.31 H new ATOM 0 HG13 ILE A 32 -6.398 -2.906 5.805 1.00 60.31 H new ATOM 0 HG21 ILE A 32 -6.307 -0.912 2.647 1.00 40.41 H new ATOM 0 HG22 ILE A 32 -7.221 0.462 3.313 1.00 40.41 H new ATOM 0 HG23 ILE A 32 -5.557 0.151 3.860 1.00 40.41 H new ATOM 0 HD11 ILE A 32 -5.122 -4.059 4.066 1.00 31.11 H new ATOM 0 HD12 ILE A 32 -6.783 -3.739 3.513 1.00 31.11 H new ATOM 0 HD13 ILE A 32 -5.440 -2.726 2.930 1.00 31.11 H new ATOM 516 N ARG A 33 -9.116 1.068 5.260 1.00 21.35 N ATOM 517 CA ARG A 33 -9.747 2.322 4.867 1.00 33.43 C ATOM 518 C ARG A 33 -9.839 3.279 6.052 1.00 74.10 C ATOM 519 O ARG A 33 -9.962 4.491 5.875 1.00 0.13 O ATOM 520 CB ARG A 33 -11.144 2.058 4.301 1.00 42.41 C ATOM 521 CG ARG A 33 -11.945 3.324 4.042 1.00 3.14 C ATOM 522 CD ARG A 33 -13.340 3.005 3.528 1.00 43.23 C ATOM 523 NE ARG A 33 -14.216 2.515 4.588 1.00 23.14 N ATOM 524 CZ ARG A 33 -15.495 2.210 4.403 1.00 52.13 C ATOM 525 NH1 ARG A 33 -16.045 2.344 3.204 1.00 43.15 N ATOM 526 NH2 ARG A 33 -16.228 1.770 5.418 1.00 63.33 N ATOM 0 H ARG A 33 -9.754 0.274 5.314 1.00 21.35 H new ATOM 0 HA ARG A 33 -9.131 2.784 4.096 1.00 33.43 H new ATOM 0 HB2 ARG A 33 -11.050 1.501 3.369 1.00 42.41 H new ATOM 0 HB3 ARG A 33 -11.695 1.425 4.997 1.00 42.41 H new ATOM 0 HG2 ARG A 33 -12.019 3.904 4.962 1.00 3.14 H new ATOM 0 HG3 ARG A 33 -11.421 3.945 3.315 1.00 3.14 H new ATOM 0 HD2 ARG A 33 -13.775 3.900 3.083 1.00 43.23 H new ATOM 0 HD3 ARG A 33 -13.273 2.256 2.739 1.00 43.23 H new ATOM 0 HE ARG A 33 -13.824 2.401 5.523 1.00 23.14 H new ATOM 0 HH11 ARG A 33 -15.485 2.682 2.421 1.00 43.15 H new ATOM 0 HH12 ARG A 33 -17.028 2.109 3.065 1.00 43.15 H new ATOM 0 HH21 ARG A 33 -15.809 1.666 6.342 1.00 63.33 H new ATOM 0 HH22 ARG A 33 -17.210 1.536 5.274 1.00 63.33 H new ATOM 540 N ASP A 34 -9.780 2.726 7.258 1.00 11.15 N ATOM 541 CA ASP A 34 -9.856 3.530 8.473 1.00 52.34 C ATOM 542 C ASP A 34 -8.461 3.845 9.004 1.00 14.02 C ATOM 543 O ASP A 34 -8.310 4.381 10.103 1.00 55.11 O ATOM 544 CB ASP A 34 -10.671 2.801 9.542 1.00 1.54 C ATOM 545 CG ASP A 34 -12.157 2.809 9.244 1.00 52.43 C ATOM 546 OD1 ASP A 34 -12.538 3.245 8.137 1.00 40.41 O ATOM 547 OD2 ASP A 34 -12.940 2.379 10.116 1.00 24.23 O ATOM 0 H ASP A 34 -9.680 1.724 7.421 1.00 11.15 H new ATOM 0 HA ASP A 34 -10.352 4.469 8.228 1.00 52.34 H new ATOM 0 HB2 ASP A 34 -10.325 1.770 9.619 1.00 1.54 H new ATOM 0 HB3 ASP A 34 -10.495 3.269 10.511 1.00 1.54 H new ATOM 552 N LEU A 35 -7.445 3.508 8.219 1.00 64.42 N ATOM 553 CA LEU A 35 -6.061 3.753 8.611 1.00 40.14 C ATOM 554 C LEU A 35 -5.771 5.249 8.676 1.00 1.24 C ATOM 555 O LEU A 35 -6.484 6.071 8.099 1.00 22.44 O ATOM 556 CB LEU A 35 -5.104 3.079 7.626 1.00 51.44 C ATOM 557 CG LEU A 35 -4.822 1.597 7.871 1.00 31.23 C ATOM 558 CD1 LEU A 35 -4.008 1.011 6.728 1.00 52.53 C ATOM 559 CD2 LEU A 35 -4.099 1.404 9.196 1.00 20.13 C ATOM 0 H LEU A 35 -7.553 3.064 7.307 1.00 64.42 H new ATOM 0 HA LEU A 35 -5.910 3.328 9.603 1.00 40.14 H new ATOM 0 HB2 LEU A 35 -5.512 3.189 6.621 1.00 51.44 H new ATOM 0 HB3 LEU A 35 -4.156 3.617 7.646 1.00 51.44 H new ATOM 0 HG LEU A 35 -5.775 1.069 7.919 1.00 31.23 H new ATOM 0 HD11 LEU A 35 -3.817 -0.045 6.921 1.00 52.53 H new ATOM 0 HD12 LEU A 35 -4.563 1.115 5.795 1.00 52.53 H new ATOM 0 HD13 LEU A 35 -3.060 1.542 6.647 1.00 52.53 H new ATOM 0 HD21 LEU A 35 -3.906 0.343 9.354 1.00 20.13 H new ATOM 0 HD22 LEU A 35 -3.153 1.946 9.177 1.00 20.13 H new ATOM 0 HD23 LEU A 35 -4.719 1.785 10.008 1.00 20.13 H new ATOM 571 N PRO A 36 -4.698 5.613 9.394 1.00 11.24 N ATOM 572 CA PRO A 36 -4.287 7.012 9.550 1.00 33.23 C ATOM 573 C PRO A 36 -3.743 7.604 8.255 1.00 72.03 C ATOM 574 O PRO A 36 -2.736 7.136 7.723 1.00 41.52 O ATOM 575 CB PRO A 36 -3.185 6.942 10.610 1.00 33.34 C ATOM 576 CG PRO A 36 -2.642 5.559 10.501 1.00 31.23 C ATOM 577 CD PRO A 36 -3.803 4.688 10.109 1.00 71.41 C ATOM 0 HA PRO A 36 -5.123 7.654 9.827 1.00 33.23 H new ATOM 0 HB2 PRO A 36 -2.411 7.687 10.426 1.00 33.34 H new ATOM 0 HB3 PRO A 36 -3.582 7.134 11.607 1.00 33.34 H new ATOM 0 HG2 PRO A 36 -1.848 5.509 9.756 1.00 31.23 H new ATOM 0 HG3 PRO A 36 -2.212 5.233 11.448 1.00 31.23 H new ATOM 0 HD2 PRO A 36 -3.488 3.861 9.472 1.00 71.41 H new ATOM 0 HD3 PRO A 36 -4.290 4.251 10.981 1.00 71.41 H new ATOM 585 N ILE A 37 -4.415 8.634 7.753 1.00 51.53 N ATOM 586 CA ILE A 37 -3.997 9.291 6.520 1.00 32.12 C ATOM 587 C ILE A 37 -2.684 10.041 6.715 1.00 62.11 C ATOM 588 O ILE A 37 -1.860 10.118 5.803 1.00 13.33 O ATOM 589 CB ILE A 37 -5.068 10.276 6.016 1.00 51.10 C ATOM 590 CG1 ILE A 37 -5.497 11.218 7.143 1.00 33.41 C ATOM 591 CG2 ILE A 37 -6.267 9.519 5.465 1.00 33.25 C ATOM 592 CD1 ILE A 37 -6.443 12.309 6.692 1.00 71.50 C ATOM 0 H ILE A 37 -5.251 9.032 8.181 1.00 51.53 H new ATOM 0 HA ILE A 37 -3.858 8.507 5.776 1.00 32.12 H new ATOM 0 HB ILE A 37 -4.640 10.874 5.211 1.00 51.10 H new ATOM 0 HG12 ILE A 37 -5.976 10.635 7.930 1.00 33.41 H new ATOM 0 HG13 ILE A 37 -4.610 11.676 7.580 1.00 33.41 H new ATOM 0 HG21 ILE A 37 -7.015 10.229 5.113 1.00 33.25 H new ATOM 0 HG22 ILE A 37 -5.949 8.887 4.636 1.00 33.25 H new ATOM 0 HG23 ILE A 37 -6.698 8.898 6.251 1.00 33.25 H new ATOM 0 HD11 ILE A 37 -6.705 12.938 7.543 1.00 71.50 H new ATOM 0 HD12 ILE A 37 -5.960 12.916 5.927 1.00 71.50 H new ATOM 0 HD13 ILE A 37 -7.347 11.860 6.281 1.00 71.50 H new ATOM 604 N SER A 38 -2.494 10.591 7.910 1.00 32.31 N ATOM 605 CA SER A 38 -1.281 11.337 8.225 1.00 74.43 C ATOM 606 C SER A 38 -0.062 10.420 8.214 1.00 43.13 C ATOM 607 O SER A 38 1.070 10.875 8.042 1.00 0.13 O ATOM 608 CB SER A 38 -1.413 12.013 9.591 1.00 70.23 C ATOM 609 OG SER A 38 -1.286 13.420 9.478 1.00 74.33 O ATOM 0 H SER A 38 -3.165 10.534 8.676 1.00 32.31 H new ATOM 0 HA SER A 38 -1.145 12.102 7.461 1.00 74.43 H new ATOM 0 HB2 SER A 38 -2.379 11.766 10.031 1.00 70.23 H new ATOM 0 HB3 SER A 38 -0.648 11.629 10.266 1.00 70.23 H new ATOM 0 HG SER A 38 -1.376 13.829 10.364 1.00 74.33 H new ATOM 615 N LEU A 39 -0.300 9.126 8.398 1.00 53.30 N ATOM 616 CA LEU A 39 0.778 8.144 8.410 1.00 72.44 C ATOM 617 C LEU A 39 1.325 7.919 7.004 1.00 72.34 C ATOM 618 O LEU A 39 2.497 7.587 6.828 1.00 63.30 O ATOM 619 CB LEU A 39 0.281 6.820 8.994 1.00 64.22 C ATOM 620 CG LEU A 39 1.259 6.082 9.909 1.00 33.15 C ATOM 621 CD1 LEU A 39 0.509 5.357 11.016 1.00 22.42 C ATOM 622 CD2 LEU A 39 2.107 5.105 9.108 1.00 75.11 C ATOM 0 H LEU A 39 -1.230 8.733 8.541 1.00 53.30 H new ATOM 0 HA LEU A 39 1.583 8.531 9.035 1.00 72.44 H new ATOM 0 HB2 LEU A 39 -0.634 7.013 9.554 1.00 64.22 H new ATOM 0 HB3 LEU A 39 0.016 6.158 8.169 1.00 64.22 H new ATOM 0 HG LEU A 39 1.923 6.816 10.367 1.00 33.15 H new ATOM 0 HD11 LEU A 39 1.221 4.837 11.658 1.00 22.42 H new ATOM 0 HD12 LEU A 39 -0.053 6.079 11.608 1.00 22.42 H new ATOM 0 HD13 LEU A 39 -0.179 4.634 10.577 1.00 22.42 H new ATOM 0 HD21 LEU A 39 2.797 4.589 9.776 1.00 75.11 H new ATOM 0 HD22 LEU A 39 1.460 4.376 8.621 1.00 75.11 H new ATOM 0 HD23 LEU A 39 2.673 5.649 8.352 1.00 75.11 H new ATOM 634 N PHE A 40 0.468 8.104 6.004 1.00 24.04 N ATOM 635 CA PHE A 40 0.866 7.923 4.613 1.00 30.42 C ATOM 636 C PHE A 40 0.575 9.178 3.796 1.00 1.24 C ATOM 637 O PHE A 40 -0.581 9.560 3.616 1.00 52.15 O ATOM 638 CB PHE A 40 0.136 6.724 4.004 1.00 31.21 C ATOM 639 CG PHE A 40 0.006 5.560 4.945 1.00 71.04 C ATOM 640 CD1 PHE A 40 -1.061 5.480 5.825 1.00 20.41 C ATOM 641 CD2 PHE A 40 0.950 4.546 4.948 1.00 43.10 C ATOM 642 CE1 PHE A 40 -1.182 4.410 6.692 1.00 13.20 C ATOM 643 CE2 PHE A 40 0.834 3.474 5.812 1.00 31.14 C ATOM 644 CZ PHE A 40 -0.234 3.405 6.685 1.00 55.51 C ATOM 0 H PHE A 40 -0.506 8.379 6.132 1.00 24.04 H new ATOM 0 HA PHE A 40 1.940 7.737 4.590 1.00 30.42 H new ATOM 0 HB2 PHE A 40 -0.859 7.037 3.687 1.00 31.21 H new ATOM 0 HB3 PHE A 40 0.669 6.400 3.110 1.00 31.21 H new ATOM 0 HD1 PHE A 40 -1.806 6.262 5.834 1.00 20.41 H new ATOM 0 HD2 PHE A 40 1.787 4.594 4.267 1.00 43.10 H new ATOM 0 HE1 PHE A 40 -2.017 4.360 7.375 1.00 13.20 H new ATOM 0 HE2 PHE A 40 1.578 2.691 5.805 1.00 31.14 H new ATOM 0 HZ PHE A 40 -0.328 2.568 7.360 1.00 55.51 H new ATOM 654 N ASP A 41 1.632 9.816 3.306 1.00 24.31 N ATOM 655 CA ASP A 41 1.492 11.028 2.508 1.00 40.11 C ATOM 656 C ASP A 41 0.505 10.815 1.364 1.00 24.52 C ATOM 657 O ASP A 41 -0.164 11.750 0.925 1.00 2.24 O ATOM 658 CB ASP A 41 2.850 11.459 1.953 1.00 64.25 C ATOM 659 CG ASP A 41 3.244 12.852 2.402 1.00 43.11 C ATOM 660 OD1 ASP A 41 2.606 13.824 1.947 1.00 3.21 O ATOM 661 OD2 ASP A 41 4.191 12.970 3.208 1.00 42.52 O ATOM 0 H ASP A 41 2.596 9.514 3.448 1.00 24.31 H new ATOM 0 HA ASP A 41 1.106 11.816 3.155 1.00 40.11 H new ATOM 0 HB2 ASP A 41 3.612 10.748 2.273 1.00 64.25 H new ATOM 0 HB3 ASP A 41 2.821 11.426 0.864 1.00 64.25 H new ATOM 666 N TYR A 42 0.422 9.578 0.885 1.00 14.43 N ATOM 667 CA TYR A 42 -0.480 9.243 -0.210 1.00 35.41 C ATOM 668 C TYR A 42 -1.200 7.925 0.062 1.00 52.14 C ATOM 669 O TYR A 42 -0.568 6.897 0.302 1.00 24.44 O ATOM 670 CB TYR A 42 0.293 9.152 -1.526 1.00 44.02 C ATOM 671 CG TYR A 42 -0.572 8.796 -2.714 1.00 41.41 C ATOM 672 CD1 TYR A 42 -1.871 9.278 -2.821 1.00 42.41 C ATOM 673 CD2 TYR A 42 -0.091 7.978 -3.729 1.00 34.14 C ATOM 674 CE1 TYR A 42 -2.665 8.956 -3.904 1.00 75.32 C ATOM 675 CE2 TYR A 42 -0.878 7.651 -4.816 1.00 13.21 C ATOM 676 CZ TYR A 42 -2.165 8.142 -4.899 1.00 45.31 C ATOM 677 OH TYR A 42 -2.952 7.818 -5.980 1.00 31.00 O ATOM 0 H TYR A 42 0.968 8.792 1.238 1.00 14.43 H new ATOM 0 HA TYR A 42 -1.225 10.035 -0.288 1.00 35.41 H new ATOM 0 HB2 TYR A 42 0.782 10.107 -1.717 1.00 44.02 H new ATOM 0 HB3 TYR A 42 1.080 8.405 -1.424 1.00 44.02 H new ATOM 0 HD1 TYR A 42 -2.266 9.915 -2.044 1.00 42.41 H new ATOM 0 HD2 TYR A 42 0.915 7.591 -3.667 1.00 34.14 H new ATOM 0 HE1 TYR A 42 -3.672 9.340 -3.972 1.00 75.32 H new ATOM 0 HE2 TYR A 42 -0.488 7.015 -5.597 1.00 13.21 H new ATOM 0 HH TYR A 42 -3.830 8.244 -5.885 1.00 31.00 H new ATOM 687 N PHE A 43 -2.528 7.964 0.020 1.00 1.31 N ATOM 688 CA PHE A 43 -3.336 6.775 0.262 1.00 62.43 C ATOM 689 C PHE A 43 -4.432 6.638 -0.791 1.00 44.34 C ATOM 690 O PHE A 43 -5.332 7.474 -0.878 1.00 4.34 O ATOM 691 CB PHE A 43 -3.959 6.830 1.658 1.00 1.20 C ATOM 692 CG PHE A 43 -4.040 5.490 2.332 1.00 52.31 C ATOM 693 CD1 PHE A 43 -4.043 4.323 1.585 1.00 54.40 C ATOM 694 CD2 PHE A 43 -4.114 5.398 3.712 1.00 31.15 C ATOM 695 CE1 PHE A 43 -4.118 3.089 2.202 1.00 62.21 C ATOM 696 CE2 PHE A 43 -4.188 4.166 4.335 1.00 52.10 C ATOM 697 CZ PHE A 43 -4.191 3.010 3.579 1.00 53.32 C ATOM 0 H PHE A 43 -3.067 8.807 -0.179 1.00 1.31 H new ATOM 0 HA PHE A 43 -2.683 5.904 0.197 1.00 62.43 H new ATOM 0 HB2 PHE A 43 -3.374 7.507 2.281 1.00 1.20 H new ATOM 0 HB3 PHE A 43 -4.961 7.251 1.583 1.00 1.20 H new ATOM 0 HD1 PHE A 43 -3.986 4.379 0.508 1.00 54.40 H new ATOM 0 HD2 PHE A 43 -4.114 6.299 4.308 1.00 31.15 H new ATOM 0 HE1 PHE A 43 -4.120 2.187 1.608 1.00 62.21 H new ATOM 0 HE2 PHE A 43 -4.243 4.108 5.412 1.00 52.10 H new ATOM 0 HZ PHE A 43 -4.250 2.047 4.063 1.00 53.32 H new ATOM 707 N ILE A 44 -4.348 5.580 -1.590 1.00 62.21 N ATOM 708 CA ILE A 44 -5.332 5.333 -2.637 1.00 2.41 C ATOM 709 C ILE A 44 -5.720 3.860 -2.690 1.00 73.24 C ATOM 710 O ILE A 44 -4.884 2.995 -2.953 1.00 53.33 O ATOM 711 CB ILE A 44 -4.804 5.764 -4.018 1.00 51.02 C ATOM 712 CG1 ILE A 44 -5.710 5.222 -5.126 1.00 2.20 C ATOM 713 CG2 ILE A 44 -3.374 5.282 -4.213 1.00 11.34 C ATOM 714 CD1 ILE A 44 -5.948 6.208 -6.248 1.00 13.41 C ATOM 0 H ILE A 44 -3.609 4.880 -1.532 1.00 62.21 H new ATOM 0 HA ILE A 44 -6.211 5.929 -2.391 1.00 2.41 H new ATOM 0 HB ILE A 44 -4.810 6.853 -4.069 1.00 51.02 H new ATOM 0 HG12 ILE A 44 -5.265 4.316 -5.538 1.00 2.20 H new ATOM 0 HG13 ILE A 44 -6.669 4.938 -4.693 1.00 2.20 H new ATOM 0 HG21 ILE A 44 -3.015 5.595 -5.194 1.00 11.34 H new ATOM 0 HG22 ILE A 44 -2.737 5.711 -3.440 1.00 11.34 H new ATOM 0 HG23 ILE A 44 -3.344 4.195 -4.145 1.00 11.34 H new ATOM 0 HD11 ILE A 44 -6.598 5.757 -6.997 1.00 13.41 H new ATOM 0 HD12 ILE A 44 -6.422 7.105 -5.850 1.00 13.41 H new ATOM 0 HD13 ILE A 44 -4.996 6.474 -6.707 1.00 13.41 H new ATOM 726 N VAL A 45 -6.996 3.580 -2.441 1.00 3.32 N ATOM 727 CA VAL A 45 -7.497 2.211 -2.463 1.00 41.33 C ATOM 728 C VAL A 45 -8.646 2.063 -3.454 1.00 32.01 C ATOM 729 O VAL A 45 -9.370 3.019 -3.728 1.00 72.05 O ATOM 730 CB VAL A 45 -7.975 1.766 -1.069 1.00 20.44 C ATOM 731 CG1 VAL A 45 -8.018 0.248 -0.979 1.00 32.24 C ATOM 732 CG2 VAL A 45 -7.077 2.347 0.013 1.00 62.31 C ATOM 0 H VAL A 45 -7.701 4.284 -2.222 1.00 3.32 H new ATOM 0 HA VAL A 45 -6.668 1.575 -2.774 1.00 41.33 H new ATOM 0 HB VAL A 45 -8.985 2.144 -0.912 1.00 20.44 H new ATOM 0 HG11 VAL A 45 -8.358 -0.048 0.013 1.00 32.24 H new ATOM 0 HG12 VAL A 45 -8.706 -0.142 -1.730 1.00 32.24 H new ATOM 0 HG13 VAL A 45 -7.021 -0.155 -1.156 1.00 32.24 H new ATOM 0 HG21 VAL A 45 -7.430 2.022 0.992 1.00 62.31 H new ATOM 0 HG22 VAL A 45 -6.055 2.000 -0.138 1.00 62.31 H new ATOM 0 HG23 VAL A 45 -7.102 3.435 -0.039 1.00 62.31 H new ATOM 742 N GLY A 46 -8.808 0.856 -3.988 1.00 12.11 N ATOM 743 CA GLY A 46 -9.872 0.604 -4.942 1.00 61.14 C ATOM 744 C GLY A 46 -10.357 -0.832 -4.904 1.00 43.24 C ATOM 745 O GLY A 46 -9.555 -1.765 -4.935 1.00 40.32 O ATOM 0 H GLY A 46 -8.221 0.049 -3.777 1.00 12.11 H new ATOM 0 HA2 GLY A 46 -10.708 1.272 -4.734 1.00 61.14 H new ATOM 0 HA3 GLY A 46 -9.519 0.838 -5.946 1.00 61.14 H new ATOM 749 N GLU A 47 -11.672 -1.009 -4.836 1.00 14.03 N ATOM 750 CA GLU A 47 -12.262 -2.342 -4.791 1.00 23.03 C ATOM 751 C GLU A 47 -12.620 -2.826 -6.193 1.00 22.21 C ATOM 752 O GLU A 47 -13.208 -2.089 -6.983 1.00 43.23 O ATOM 753 CB GLU A 47 -13.509 -2.343 -3.905 1.00 13.21 C ATOM 754 CG GLU A 47 -14.197 -3.695 -3.823 1.00 61.31 C ATOM 755 CD GLU A 47 -13.334 -4.749 -3.157 1.00 63.34 C ATOM 756 OE1 GLU A 47 -12.967 -4.558 -1.979 1.00 15.41 O ATOM 757 OE2 GLU A 47 -13.024 -5.765 -3.814 1.00 73.23 O ATOM 0 H GLU A 47 -12.349 -0.247 -4.811 1.00 14.03 H new ATOM 0 HA GLU A 47 -11.524 -3.024 -4.367 1.00 23.03 H new ATOM 0 HB2 GLU A 47 -13.231 -2.025 -2.900 1.00 13.21 H new ATOM 0 HB3 GLU A 47 -14.217 -1.607 -4.288 1.00 13.21 H new ATOM 0 HG2 GLU A 47 -15.130 -3.591 -3.269 1.00 61.31 H new ATOM 0 HG3 GLU A 47 -14.459 -4.027 -4.828 1.00 61.31 H new ATOM 875 N PRO A 56 -15.177 -10.286 -5.030 1.00 24.13 N ATOM 876 CA PRO A 56 -14.459 -9.008 -5.061 1.00 64.43 C ATOM 877 C PRO A 56 -12.997 -9.154 -4.652 1.00 30.50 C ATOM 878 O PRO A 56 -12.617 -10.133 -4.008 1.00 10.11 O ATOM 879 CB PRO A 56 -15.216 -8.151 -4.044 1.00 43.12 C ATOM 880 CG PRO A 56 -15.837 -9.131 -3.110 1.00 23.11 C ATOM 881 CD PRO A 56 -16.163 -10.343 -3.938 1.00 52.11 C ATOM 0 HA PRO A 56 -14.432 -8.580 -6.063 1.00 64.43 H new ATOM 0 HB2 PRO A 56 -14.543 -7.474 -3.518 1.00 43.12 H new ATOM 0 HB3 PRO A 56 -15.972 -7.534 -4.531 1.00 43.12 H new ATOM 0 HG2 PRO A 56 -15.154 -9.384 -2.299 1.00 23.11 H new ATOM 0 HG3 PRO A 56 -16.736 -8.718 -2.652 1.00 23.11 H new ATOM 0 HD2 PRO A 56 -16.069 -11.262 -3.359 1.00 52.11 H new ATOM 0 HD3 PRO A 56 -17.184 -10.308 -4.317 1.00 52.11 H new ATOM 889 N HIS A 57 -12.181 -8.175 -5.029 1.00 62.41 N ATOM 890 CA HIS A 57 -10.760 -8.195 -4.700 1.00 11.12 C ATOM 891 C HIS A 57 -10.273 -6.802 -4.313 1.00 1.23 C ATOM 892 O HIS A 57 -10.670 -5.804 -4.916 1.00 12.03 O ATOM 893 CB HIS A 57 -9.948 -8.721 -5.883 1.00 62.43 C ATOM 894 CG HIS A 57 -8.467 -8.606 -5.692 1.00 42.31 C ATOM 895 ND1 HIS A 57 -7.675 -9.661 -5.292 1.00 62.43 N ATOM 896 CD2 HIS A 57 -7.634 -7.551 -5.850 1.00 5.20 C ATOM 897 CE1 HIS A 57 -6.419 -9.260 -5.211 1.00 22.42 C ATOM 898 NE2 HIS A 57 -6.367 -7.983 -5.545 1.00 25.54 N ATOM 0 H HIS A 57 -12.479 -7.358 -5.562 1.00 62.41 H new ATOM 0 HA HIS A 57 -10.619 -8.860 -3.848 1.00 11.12 H new ATOM 0 HB2 HIS A 57 -10.204 -9.767 -6.052 1.00 62.43 H new ATOM 0 HB3 HIS A 57 -10.234 -8.174 -6.781 1.00 62.43 H new ATOM 0 HD2 HIS A 57 -7.914 -6.555 -6.159 1.00 5.20 H new ATOM 0 HE1 HIS A 57 -5.578 -9.872 -4.921 1.00 22.42 H new ATOM 0 HE2 HIS A 57 -5.523 -7.411 -5.572 1.00 25.54 H new ATOM 906 N LEU A 58 -9.411 -6.741 -3.303 1.00 73.04 N ATOM 907 CA LEU A 58 -8.870 -5.470 -2.835 1.00 51.10 C ATOM 908 C LEU A 58 -7.536 -5.165 -3.509 1.00 10.33 C ATOM 909 O LEU A 58 -6.653 -6.019 -3.572 1.00 23.21 O ATOM 910 CB LEU A 58 -8.693 -5.497 -1.316 1.00 22.41 C ATOM 911 CG LEU A 58 -9.208 -4.273 -0.558 1.00 23.32 C ATOM 912 CD1 LEU A 58 -8.848 -4.368 0.917 1.00 70.42 C ATOM 913 CD2 LEU A 58 -8.647 -2.995 -1.164 1.00 64.42 C ATOM 0 H LEU A 58 -9.072 -7.557 -2.793 1.00 73.04 H new ATOM 0 HA LEU A 58 -9.577 -4.683 -3.098 1.00 51.10 H new ATOM 0 HB2 LEU A 58 -9.200 -6.380 -0.927 1.00 22.41 H new ATOM 0 HB3 LEU A 58 -7.632 -5.616 -1.096 1.00 22.41 H new ATOM 0 HG LEU A 58 -10.294 -4.246 -0.645 1.00 23.32 H new ATOM 0 HD11 LEU A 58 -9.223 -3.488 1.440 1.00 70.42 H new ATOM 0 HD12 LEU A 58 -9.298 -5.264 1.345 1.00 70.42 H new ATOM 0 HD13 LEU A 58 -7.765 -4.420 1.024 1.00 70.42 H new ATOM 0 HD21 LEU A 58 -9.024 -2.134 -0.612 1.00 64.42 H new ATOM 0 HD22 LEU A 58 -7.559 -3.013 -1.108 1.00 64.42 H new ATOM 0 HD23 LEU A 58 -8.956 -2.921 -2.207 1.00 64.42 H new ATOM 925 N GLN A 59 -7.398 -3.941 -4.008 1.00 45.12 N ATOM 926 CA GLN A 59 -6.170 -3.523 -4.676 1.00 32.15 C ATOM 927 C GLN A 59 -5.959 -2.019 -4.535 1.00 21.32 C ATOM 928 O GLN A 59 -6.723 -1.221 -5.076 1.00 33.53 O ATOM 929 CB GLN A 59 -6.213 -3.908 -6.155 1.00 51.24 C ATOM 930 CG GLN A 59 -5.104 -3.276 -6.981 1.00 2.14 C ATOM 931 CD GLN A 59 -3.725 -3.744 -6.560 1.00 64.12 C ATOM 932 OE1 GLN A 59 -3.134 -3.054 -5.592 1.00 41.20 O flip ATOM 933 NE2 GLN A 59 -3.195 -4.716 -7.100 1.00 14.44 N flip ATOM 0 H GLN A 59 -8.120 -3.222 -3.963 1.00 45.12 H new ATOM 0 HA GLN A 59 -5.334 -4.035 -4.199 1.00 32.15 H new ATOM 0 HB2 GLN A 59 -6.146 -4.992 -6.242 1.00 51.24 H new ATOM 0 HB3 GLN A 59 -7.177 -3.614 -6.571 1.00 51.24 H new ATOM 0 HG2 GLN A 59 -5.259 -3.514 -8.033 1.00 2.14 H new ATOM 0 HG3 GLN A 59 -5.160 -2.191 -6.888 1.00 2.14 H new ATOM 0 HE21 GLN A 59 -3.685 -5.218 -7.840 1.00 14.44 H new ATOM 0 HE22 GLN A 59 -2.266 -5.019 -6.807 1.00 14.44 H new ATOM 942 N GLY A 60 -4.915 -1.639 -3.803 1.00 54.05 N ATOM 943 CA GLY A 60 -4.623 -0.232 -3.604 1.00 44.43 C ATOM 944 C GLY A 60 -3.154 0.022 -3.329 1.00 23.40 C ATOM 945 O GLY A 60 -2.371 -0.917 -3.181 1.00 35.54 O ATOM 0 H GLY A 60 -4.267 -2.280 -3.345 1.00 54.05 H new ATOM 0 HA2 GLY A 60 -4.926 0.327 -4.489 1.00 44.43 H new ATOM 0 HA3 GLY A 60 -5.216 0.145 -2.771 1.00 44.43 H new ATOM 949 N PHE A 61 -2.777 1.294 -3.262 1.00 3.20 N ATOM 950 CA PHE A 61 -1.391 1.668 -3.005 1.00 41.54 C ATOM 951 C PHE A 61 -1.307 2.724 -1.906 1.00 70.34 C ATOM 952 O PHE A 61 -2.129 3.637 -1.845 1.00 10.44 O ATOM 953 CB PHE A 61 -0.737 2.195 -4.285 1.00 14.22 C ATOM 954 CG PHE A 61 0.565 2.903 -4.045 1.00 2.43 C ATOM 955 CD1 PHE A 61 1.600 2.270 -3.376 1.00 2.25 C ATOM 956 CD2 PHE A 61 0.755 4.202 -4.489 1.00 10.13 C ATOM 957 CE1 PHE A 61 2.799 2.920 -3.153 1.00 4.03 C ATOM 958 CE2 PHE A 61 1.952 4.857 -4.269 1.00 63.12 C ATOM 959 CZ PHE A 61 2.976 4.214 -3.601 1.00 42.42 C ATOM 0 H PHE A 61 -3.412 2.083 -3.382 1.00 3.20 H new ATOM 0 HA PHE A 61 -0.857 0.778 -2.671 1.00 41.54 H new ATOM 0 HB2 PHE A 61 -0.568 1.362 -4.967 1.00 14.22 H new ATOM 0 HB3 PHE A 61 -1.427 2.878 -4.781 1.00 14.22 H new ATOM 0 HD1 PHE A 61 1.468 1.257 -3.025 1.00 2.25 H new ATOM 0 HD2 PHE A 61 -0.042 4.709 -5.013 1.00 10.13 H new ATOM 0 HE1 PHE A 61 3.597 2.416 -2.628 1.00 4.03 H new ATOM 0 HE2 PHE A 61 2.087 5.870 -4.619 1.00 63.12 H new ATOM 0 HZ PHE A 61 3.913 4.722 -3.429 1.00 42.42 H new ATOM 969 N ALA A 62 -0.308 2.590 -1.041 1.00 23.44 N ATOM 970 CA ALA A 62 -0.115 3.531 0.055 1.00 2.31 C ATOM 971 C ALA A 62 1.350 3.937 0.179 1.00 51.13 C ATOM 972 O ALA A 62 2.232 3.087 0.286 1.00 23.43 O ATOM 973 CB ALA A 62 -0.610 2.929 1.362 1.00 43.12 C ATOM 0 H ALA A 62 0.381 1.839 -1.078 1.00 23.44 H new ATOM 0 HA ALA A 62 -0.696 4.427 -0.163 1.00 2.31 H new ATOM 0 HB1 ALA A 62 -0.459 3.643 2.172 1.00 43.12 H new ATOM 0 HB2 ALA A 62 -1.671 2.696 1.276 1.00 43.12 H new ATOM 0 HB3 ALA A 62 -0.054 2.016 1.576 1.00 43.12 H new ATOM 979 N ASN A 63 1.601 5.242 0.162 1.00 41.12 N ATOM 980 CA ASN A 63 2.960 5.760 0.271 1.00 51.42 C ATOM 981 C ASN A 63 3.307 6.075 1.723 1.00 43.13 C ATOM 982 O ASN A 63 2.727 6.975 2.330 1.00 3.50 O ATOM 983 CB ASN A 63 3.119 7.017 -0.587 1.00 50.22 C ATOM 984 CG ASN A 63 4.550 7.519 -0.618 1.00 33.01 C ATOM 985 OD1 ASN A 63 5.190 7.667 0.423 1.00 12.12 O ATOM 986 ND2 ASN A 63 5.058 7.784 -1.816 1.00 21.41 N ATOM 0 H ASN A 63 0.882 5.960 0.074 1.00 41.12 H new ATOM 0 HA ASN A 63 3.645 4.993 -0.090 1.00 51.42 H new ATOM 0 HB2 ASN A 63 2.790 6.803 -1.604 1.00 50.22 H new ATOM 0 HB3 ASN A 63 2.470 7.802 -0.200 1.00 50.22 H new ATOM 0 HD21 ASN A 63 6.016 8.125 -1.900 1.00 21.41 H new ATOM 0 HD22 ASN A 63 4.491 7.646 -2.652 1.00 21.41 H new ATOM 993 N PHE A 64 4.258 5.327 2.273 1.00 11.43 N ATOM 994 CA PHE A 64 4.683 5.526 3.654 1.00 31.21 C ATOM 995 C PHE A 64 5.448 6.838 3.805 1.00 74.34 C ATOM 996 O PHE A 64 6.381 7.115 3.051 1.00 10.33 O ATOM 997 CB PHE A 64 5.557 4.357 4.114 1.00 41.21 C ATOM 998 CG PHE A 64 4.900 3.487 5.147 1.00 72.15 C ATOM 999 CD1 PHE A 64 4.743 3.932 6.449 1.00 4.42 C ATOM 1000 CD2 PHE A 64 4.438 2.224 4.815 1.00 72.45 C ATOM 1001 CE1 PHE A 64 4.140 3.133 7.401 1.00 14.24 C ATOM 1002 CE2 PHE A 64 3.833 1.420 5.762 1.00 33.15 C ATOM 1003 CZ PHE A 64 3.683 1.876 7.057 1.00 34.14 C ATOM 0 H PHE A 64 4.749 4.578 1.784 1.00 11.43 H new ATOM 0 HA PHE A 64 3.791 5.572 4.279 1.00 31.21 H new ATOM 0 HB2 PHE A 64 5.818 3.747 3.249 1.00 41.21 H new ATOM 0 HB3 PHE A 64 6.489 4.749 4.520 1.00 41.21 H new ATOM 0 HD1 PHE A 64 5.096 4.915 6.723 1.00 4.42 H new ATOM 0 HD2 PHE A 64 4.552 1.863 3.803 1.00 72.45 H new ATOM 0 HE1 PHE A 64 4.026 3.491 8.414 1.00 14.24 H new ATOM 0 HE2 PHE A 64 3.478 0.437 5.490 1.00 33.15 H new ATOM 0 HZ PHE A 64 3.209 1.251 7.799 1.00 34.14 H new ATOM 1013 N VAL A 65 5.044 7.642 4.783 1.00 24.11 N ATOM 1014 CA VAL A 65 5.691 8.925 5.034 1.00 72.51 C ATOM 1015 C VAL A 65 7.163 8.739 5.385 1.00 34.32 C ATOM 1016 O VAL A 65 7.978 9.640 5.188 1.00 63.54 O ATOM 1017 CB VAL A 65 4.995 9.690 6.175 1.00 52.33 C ATOM 1018 CG1 VAL A 65 5.786 10.937 6.542 1.00 73.42 C ATOM 1019 CG2 VAL A 65 3.569 10.050 5.783 1.00 65.43 C ATOM 0 H VAL A 65 4.272 7.428 5.414 1.00 24.11 H new ATOM 0 HA VAL A 65 5.611 9.506 4.115 1.00 72.51 H new ATOM 0 HB VAL A 65 4.955 9.043 7.051 1.00 52.33 H new ATOM 0 HG11 VAL A 65 5.279 11.465 7.350 1.00 73.42 H new ATOM 0 HG12 VAL A 65 6.786 10.651 6.867 1.00 73.42 H new ATOM 0 HG13 VAL A 65 5.860 11.590 5.672 1.00 73.42 H new ATOM 0 HG21 VAL A 65 3.092 10.590 6.601 1.00 65.43 H new ATOM 0 HG22 VAL A 65 3.584 10.679 4.893 1.00 65.43 H new ATOM 0 HG23 VAL A 65 3.008 9.139 5.574 1.00 65.43 H new ATOM 1029 N LYS A 66 7.497 7.563 5.907 1.00 12.52 N ATOM 1030 CA LYS A 66 8.871 7.257 6.285 1.00 21.43 C ATOM 1031 C LYS A 66 9.336 5.957 5.637 1.00 24.51 C ATOM 1032 O LYS A 66 8.626 5.368 4.822 1.00 50.24 O ATOM 1033 CB LYS A 66 8.992 7.152 7.807 1.00 31.33 C ATOM 1034 CG LYS A 66 7.908 6.301 8.446 1.00 11.02 C ATOM 1035 CD LYS A 66 6.743 7.150 8.926 1.00 53.23 C ATOM 1036 CE LYS A 66 6.922 7.576 10.375 1.00 44.12 C ATOM 1037 NZ LYS A 66 5.945 6.904 11.276 1.00 42.44 N ATOM 0 H LYS A 66 6.834 6.807 6.078 1.00 12.52 H new ATOM 0 HA LYS A 66 9.508 8.068 5.931 1.00 21.43 H new ATOM 0 HB2 LYS A 66 9.966 6.733 8.058 1.00 31.33 H new ATOM 0 HB3 LYS A 66 8.956 8.153 8.236 1.00 31.33 H new ATOM 0 HG2 LYS A 66 7.551 5.565 7.726 1.00 11.02 H new ATOM 0 HG3 LYS A 66 8.327 5.748 9.287 1.00 11.02 H new ATOM 0 HD2 LYS A 66 6.651 8.034 8.295 1.00 53.23 H new ATOM 0 HD3 LYS A 66 5.815 6.587 8.823 1.00 53.23 H new ATOM 0 HE2 LYS A 66 7.936 7.342 10.700 1.00 44.12 H new ATOM 0 HE3 LYS A 66 6.804 8.657 10.453 1.00 44.12 H new ATOM 0 HZ1 LYS A 66 6.100 7.221 12.254 1.00 42.44 H new ATOM 0 HZ2 LYS A 66 4.977 7.147 10.982 1.00 42.44 H new ATOM 0 HZ3 LYS A 66 6.074 5.874 11.221 1.00 42.44 H new ATOM 1051 N LYS A 67 10.533 5.512 6.006 1.00 41.22 N ATOM 1052 CA LYS A 67 11.093 4.280 5.463 1.00 52.11 C ATOM 1053 C LYS A 67 10.662 3.075 6.293 1.00 72.15 C ATOM 1054 O LYS A 67 10.881 3.033 7.503 1.00 44.33 O ATOM 1055 CB LYS A 67 12.620 4.364 5.422 1.00 43.41 C ATOM 1056 CG LYS A 67 13.234 3.700 4.201 1.00 15.32 C ATOM 1057 CD LYS A 67 13.493 4.705 3.091 1.00 74.10 C ATOM 1058 CE LYS A 67 14.918 4.604 2.569 1.00 33.32 C ATOM 1059 NZ LYS A 67 15.023 5.052 1.153 1.00 1.21 N ATOM 0 H LYS A 67 11.134 5.987 6.679 1.00 41.22 H new ATOM 0 HA LYS A 67 10.715 4.155 4.448 1.00 52.11 H new ATOM 0 HB2 LYS A 67 12.918 5.412 5.444 1.00 43.41 H new ATOM 0 HB3 LYS A 67 13.025 3.899 6.320 1.00 43.41 H new ATOM 0 HG2 LYS A 67 14.170 3.216 4.481 1.00 15.32 H new ATOM 0 HG3 LYS A 67 12.567 2.918 3.837 1.00 15.32 H new ATOM 0 HD2 LYS A 67 12.792 4.535 2.274 1.00 74.10 H new ATOM 0 HD3 LYS A 67 13.311 5.714 3.462 1.00 74.10 H new ATOM 0 HE2 LYS A 67 15.577 5.210 3.191 1.00 33.32 H new ATOM 0 HE3 LYS A 67 15.262 3.573 2.650 1.00 33.32 H new ATOM 0 HZ1 LYS A 67 16.009 4.968 0.835 1.00 1.21 H new ATOM 0 HZ2 LYS A 67 14.414 4.458 0.555 1.00 1.21 H new ATOM 0 HZ3 LYS A 67 14.719 6.044 1.079 1.00 1.21 H new ATOM 1073 N GLN A 68 10.049 2.097 5.633 1.00 22.12 N ATOM 1074 CA GLN A 68 9.589 0.891 6.311 1.00 33.20 C ATOM 1075 C GLN A 68 9.954 -0.356 5.512 1.00 1.21 C ATOM 1076 O GLN A 68 10.075 -0.309 4.287 1.00 2.24 O ATOM 1077 CB GLN A 68 8.075 0.948 6.526 1.00 23.43 C ATOM 1078 CG GLN A 68 7.623 2.137 7.358 1.00 43.21 C ATOM 1079 CD GLN A 68 8.136 2.081 8.784 1.00 51.15 C ATOM 1080 OE1 GLN A 68 7.981 1.072 9.472 1.00 65.33 O ATOM 1081 NE2 GLN A 68 8.750 3.168 9.235 1.00 4.12 N ATOM 0 H GLN A 68 9.860 2.116 4.631 1.00 22.12 H new ATOM 0 HA GLN A 68 10.085 0.837 7.280 1.00 33.20 H new ATOM 0 HB2 GLN A 68 7.580 0.985 5.556 1.00 23.43 H new ATOM 0 HB3 GLN A 68 7.751 0.029 7.015 1.00 23.43 H new ATOM 0 HG2 GLN A 68 7.969 3.057 6.887 1.00 43.21 H new ATOM 0 HG3 GLN A 68 6.534 2.175 7.369 1.00 43.21 H new ATOM 0 HE21 GLN A 68 8.856 3.982 8.630 1.00 4.12 H new ATOM 0 HE22 GLN A 68 9.116 3.189 10.187 1.00 4.12 H new ATOM 1090 N THR A 69 10.129 -1.472 6.213 1.00 4.21 N ATOM 1091 CA THR A 69 10.483 -2.731 5.570 1.00 54.02 C ATOM 1092 C THR A 69 9.237 -3.537 5.219 1.00 25.41 C ATOM 1093 O THR A 69 8.132 -3.209 5.649 1.00 35.33 O ATOM 1094 CB THR A 69 11.397 -3.584 6.469 1.00 34.33 C ATOM 1095 OG1 THR A 69 10.640 -4.139 7.551 1.00 11.11 O ATOM 1096 CG2 THR A 69 12.544 -2.751 7.021 1.00 73.22 C ATOM 0 H THR A 69 10.031 -1.529 7.227 1.00 4.21 H new ATOM 0 HA THR A 69 11.020 -2.479 4.655 1.00 54.02 H new ATOM 0 HB THR A 69 11.813 -4.391 5.865 1.00 34.33 H new ATOM 0 HG1 THR A 69 11.228 -4.681 8.117 1.00 11.11 H new ATOM 0 HG21 THR A 69 13.176 -3.375 7.653 1.00 73.22 H new ATOM 0 HG22 THR A 69 13.135 -2.354 6.196 1.00 73.22 H new ATOM 0 HG23 THR A 69 12.144 -1.926 7.610 1.00 73.22 H new ATOM 1104 N PHE A 70 9.424 -4.595 4.436 1.00 41.31 N ATOM 1105 CA PHE A 70 8.315 -5.449 4.027 1.00 10.41 C ATOM 1106 C PHE A 70 7.649 -6.092 5.240 1.00 75.25 C ATOM 1107 O PHE A 70 6.442 -5.962 5.440 1.00 52.13 O ATOM 1108 CB PHE A 70 8.806 -6.533 3.065 1.00 12.34 C ATOM 1109 CG PHE A 70 7.892 -7.722 2.986 1.00 30.11 C ATOM 1110 CD1 PHE A 70 6.756 -7.688 2.194 1.00 70.14 C ATOM 1111 CD2 PHE A 70 8.169 -8.874 3.705 1.00 72.14 C ATOM 1112 CE1 PHE A 70 5.913 -8.781 2.118 1.00 1.01 C ATOM 1113 CE2 PHE A 70 7.330 -9.970 3.633 1.00 70.13 C ATOM 1114 CZ PHE A 70 6.200 -9.923 2.840 1.00 62.15 C ATOM 0 H PHE A 70 10.333 -4.881 4.072 1.00 41.31 H new ATOM 0 HA PHE A 70 7.579 -4.828 3.517 1.00 10.41 H new ATOM 0 HB2 PHE A 70 8.916 -6.102 2.070 1.00 12.34 H new ATOM 0 HB3 PHE A 70 9.795 -6.865 3.379 1.00 12.34 H new ATOM 0 HD1 PHE A 70 6.526 -6.797 1.629 1.00 70.14 H new ATOM 0 HD2 PHE A 70 9.050 -8.916 4.328 1.00 72.14 H new ATOM 0 HE1 PHE A 70 5.032 -8.742 1.495 1.00 1.01 H new ATOM 0 HE2 PHE A 70 7.558 -10.863 4.196 1.00 70.13 H new ATOM 0 HZ PHE A 70 5.542 -10.778 2.785 1.00 62.15 H new ATOM 1124 N ASN A 71 8.445 -6.788 6.045 1.00 14.21 N ATOM 1125 CA ASN A 71 7.933 -7.453 7.237 1.00 34.35 C ATOM 1126 C ASN A 71 7.341 -6.441 8.214 1.00 64.01 C ATOM 1127 O ASN A 71 6.306 -6.689 8.832 1.00 72.12 O ATOM 1128 CB ASN A 71 9.047 -8.248 7.922 1.00 51.14 C ATOM 1129 CG ASN A 71 8.520 -9.458 8.668 1.00 74.33 C ATOM 1130 OD1 ASN A 71 7.960 -9.334 9.757 1.00 31.52 O ATOM 1131 ND2 ASN A 71 8.697 -10.637 8.083 1.00 73.24 N ATOM 0 H ASN A 71 9.447 -6.906 5.893 1.00 14.21 H new ATOM 0 HA ASN A 71 7.143 -8.138 6.928 1.00 34.35 H new ATOM 0 HB2 ASN A 71 9.770 -8.573 7.174 1.00 51.14 H new ATOM 0 HB3 ASN A 71 9.578 -7.598 8.618 1.00 51.14 H new ATOM 0 HD21 ASN A 71 8.363 -11.487 8.537 1.00 73.24 H new ATOM 0 HD22 ASN A 71 9.167 -10.693 7.179 1.00 73.24 H new ATOM 1138 N LYS A 72 8.006 -5.299 8.348 1.00 43.52 N ATOM 1139 CA LYS A 72 7.547 -4.246 9.247 1.00 63.40 C ATOM 1140 C LYS A 72 6.210 -3.678 8.782 1.00 22.51 C ATOM 1141 O LYS A 72 5.268 -3.562 9.566 1.00 52.24 O ATOM 1142 CB LYS A 72 8.588 -3.127 9.329 1.00 30.40 C ATOM 1143 CG LYS A 72 8.092 -1.888 10.053 1.00 2.33 C ATOM 1144 CD LYS A 72 7.600 -2.219 11.452 1.00 14.31 C ATOM 1145 CE LYS A 72 7.049 -0.987 12.155 1.00 70.40 C ATOM 1146 NZ LYS A 72 8.118 -0.226 12.859 1.00 71.11 N ATOM 0 H LYS A 72 8.866 -5.078 7.845 1.00 43.52 H new ATOM 0 HA LYS A 72 7.412 -4.681 10.237 1.00 63.40 H new ATOM 0 HB2 LYS A 72 9.475 -3.504 9.837 1.00 30.40 H new ATOM 0 HB3 LYS A 72 8.892 -2.850 8.320 1.00 30.40 H new ATOM 0 HG2 LYS A 72 8.896 -1.154 10.113 1.00 2.33 H new ATOM 0 HG3 LYS A 72 7.285 -1.430 9.481 1.00 2.33 H new ATOM 0 HD2 LYS A 72 6.825 -2.984 11.395 1.00 14.31 H new ATOM 0 HD3 LYS A 72 8.419 -2.638 12.037 1.00 14.31 H new ATOM 0 HE2 LYS A 72 6.563 -0.340 11.425 1.00 70.40 H new ATOM 0 HE3 LYS A 72 6.286 -1.289 12.872 1.00 70.40 H new ATOM 0 HZ1 LYS A 72 7.703 0.606 13.325 1.00 71.11 H new ATOM 0 HZ2 LYS A 72 8.565 -0.836 13.573 1.00 71.11 H new ATOM 0 HZ3 LYS A 72 8.834 0.084 12.171 1.00 71.11 H new ATOM 1160 N VAL A 73 6.134 -3.328 7.502 1.00 1.22 N ATOM 1161 CA VAL A 73 4.911 -2.775 6.932 1.00 3.45 C ATOM 1162 C VAL A 73 3.721 -3.691 7.191 1.00 71.32 C ATOM 1163 O VAL A 73 2.575 -3.243 7.233 1.00 40.05 O ATOM 1164 CB VAL A 73 5.051 -2.548 5.415 1.00 23.34 C ATOM 1165 CG1 VAL A 73 3.693 -2.275 4.789 1.00 54.35 C ATOM 1166 CG2 VAL A 73 6.017 -1.407 5.134 1.00 31.02 C ATOM 0 H VAL A 73 6.905 -3.418 6.840 1.00 1.22 H new ATOM 0 HA VAL A 73 4.740 -1.816 7.420 1.00 3.45 H new ATOM 0 HB VAL A 73 5.456 -3.455 4.965 1.00 23.34 H new ATOM 0 HG11 VAL A 73 3.812 -2.117 3.717 1.00 54.35 H new ATOM 0 HG12 VAL A 73 3.036 -3.128 4.960 1.00 54.35 H new ATOM 0 HG13 VAL A 73 3.257 -1.384 5.241 1.00 54.35 H new ATOM 0 HG21 VAL A 73 6.104 -1.261 4.057 1.00 31.02 H new ATOM 0 HG22 VAL A 73 5.644 -0.493 5.596 1.00 31.02 H new ATOM 0 HG23 VAL A 73 6.996 -1.649 5.547 1.00 31.02 H new ATOM 1176 N LYS A 74 4.000 -4.979 7.364 1.00 15.14 N ATOM 1177 CA LYS A 74 2.953 -5.961 7.621 1.00 53.11 C ATOM 1178 C LYS A 74 2.254 -5.678 8.947 1.00 40.42 C ATOM 1179 O LYS A 74 1.201 -6.244 9.237 1.00 34.43 O ATOM 1180 CB LYS A 74 3.542 -7.373 7.634 1.00 20.22 C ATOM 1181 CG LYS A 74 4.252 -7.748 6.345 1.00 60.20 C ATOM 1182 CD LYS A 74 3.959 -9.184 5.945 1.00 62.54 C ATOM 1183 CE LYS A 74 3.079 -9.249 4.706 1.00 64.44 C ATOM 1184 NZ LYS A 74 1.889 -8.362 4.823 1.00 4.12 N ATOM 0 H LYS A 74 4.943 -5.367 7.331 1.00 15.14 H new ATOM 0 HA LYS A 74 2.217 -5.888 6.820 1.00 53.11 H new ATOM 0 HB2 LYS A 74 4.244 -7.457 8.463 1.00 20.22 H new ATOM 0 HB3 LYS A 74 2.742 -8.090 7.820 1.00 20.22 H new ATOM 0 HG2 LYS A 74 3.938 -7.076 5.547 1.00 60.20 H new ATOM 0 HG3 LYS A 74 5.327 -7.616 6.469 1.00 60.20 H new ATOM 0 HD2 LYS A 74 4.896 -9.708 5.755 1.00 62.54 H new ATOM 0 HD3 LYS A 74 3.467 -9.699 6.770 1.00 62.54 H new ATOM 0 HE2 LYS A 74 3.662 -8.961 3.831 1.00 64.44 H new ATOM 0 HE3 LYS A 74 2.752 -10.276 4.547 1.00 64.44 H new ATOM 0 HZ1 LYS A 74 1.061 -8.836 4.409 1.00 4.12 H new ATOM 0 HZ2 LYS A 74 1.706 -8.157 5.826 1.00 4.12 H new ATOM 0 HZ3 LYS A 74 2.068 -7.472 4.315 1.00 4.12 H new ATOM 1198 N TRP A 75 2.846 -4.798 9.746 1.00 41.52 N ATOM 1199 CA TRP A 75 2.279 -4.438 11.041 1.00 72.34 C ATOM 1200 C TRP A 75 0.996 -3.632 10.868 1.00 22.22 C ATOM 1201 O TRP A 75 0.178 -3.547 11.784 1.00 12.21 O ATOM 1202 CB TRP A 75 3.292 -3.638 11.860 1.00 24.34 C ATOM 1203 CG TRP A 75 3.372 -2.196 11.462 1.00 2.40 C ATOM 1204 CD1 TRP A 75 3.350 -1.694 10.192 1.00 12.42 C ATOM 1205 CD2 TRP A 75 3.489 -1.070 12.339 1.00 42.23 C ATOM 1206 NE1 TRP A 75 3.446 -0.323 10.227 1.00 72.33 N ATOM 1207 CE2 TRP A 75 3.532 0.084 11.532 1.00 54.03 C ATOM 1208 CE3 TRP A 75 3.560 -0.924 13.727 1.00 41.33 C ATOM 1209 CZ2 TRP A 75 3.643 1.364 12.069 1.00 70.25 C ATOM 1210 CZ3 TRP A 75 3.671 0.347 14.258 1.00 51.21 C ATOM 1211 CH2 TRP A 75 3.711 1.477 13.431 1.00 53.45 C ATOM 0 H TRP A 75 3.719 -4.320 9.520 1.00 41.52 H new ATOM 0 HA TRP A 75 2.039 -5.358 11.573 1.00 72.34 H new ATOM 0 HB2 TRP A 75 3.027 -3.702 12.915 1.00 24.34 H new ATOM 0 HB3 TRP A 75 4.277 -4.093 11.751 1.00 24.34 H new ATOM 0 HD1 TRP A 75 3.269 -2.287 9.293 1.00 12.42 H new ATOM 0 HE1 TRP A 75 3.452 0.292 9.413 1.00 72.33 H new ATOM 0 HE3 TRP A 75 3.529 -1.789 14.373 1.00 41.33 H new ATOM 0 HZ2 TRP A 75 3.674 2.236 11.433 1.00 70.25 H new ATOM 0 HZ3 TRP A 75 3.728 0.471 15.329 1.00 51.21 H new ATOM 0 HH2 TRP A 75 3.797 2.457 13.877 1.00 53.45 H new ATOM 1222 N TYR A 76 0.827 -3.043 9.690 1.00 40.21 N ATOM 1223 CA TYR A 76 -0.356 -2.241 9.399 1.00 21.40 C ATOM 1224 C TYR A 76 -1.214 -2.906 8.326 1.00 5.43 C ATOM 1225 O TYR A 76 -2.422 -3.074 8.497 1.00 63.43 O ATOM 1226 CB TYR A 76 0.052 -0.839 8.946 1.00 54.53 C ATOM 1227 CG TYR A 76 -0.117 0.216 10.016 1.00 42.42 C ATOM 1228 CD1 TYR A 76 -1.233 0.223 10.843 1.00 52.53 C ATOM 1229 CD2 TYR A 76 0.841 1.206 10.200 1.00 24.44 C ATOM 1230 CE1 TYR A 76 -1.391 1.186 11.821 1.00 74.20 C ATOM 1231 CE2 TYR A 76 0.692 2.171 11.177 1.00 3.12 C ATOM 1232 CZ TYR A 76 -0.426 2.157 11.985 1.00 50.35 C ATOM 1233 OH TYR A 76 -0.579 3.117 12.959 1.00 72.11 O ATOM 0 H TYR A 76 1.494 -3.105 8.921 1.00 40.21 H new ATOM 0 HA TYR A 76 -0.945 -2.163 10.313 1.00 21.40 H new ATOM 0 HB2 TYR A 76 1.094 -0.858 8.628 1.00 54.53 H new ATOM 0 HB3 TYR A 76 -0.542 -0.560 8.076 1.00 54.53 H new ATOM 0 HD1 TYR A 76 -1.990 -0.537 10.719 1.00 52.53 H new ATOM 0 HD2 TYR A 76 1.717 1.221 9.568 1.00 24.44 H new ATOM 0 HE1 TYR A 76 -2.266 1.178 12.454 1.00 74.20 H new ATOM 0 HE2 TYR A 76 1.447 2.932 11.308 1.00 3.12 H new ATOM 0 HH TYR A 76 0.302 3.403 13.277 1.00 72.11 H new ATOM 1243 N LEU A 77 -0.580 -3.281 7.221 1.00 71.33 N ATOM 1244 CA LEU A 77 -1.283 -3.928 6.118 1.00 33.44 C ATOM 1245 C LEU A 77 -1.672 -5.357 6.484 1.00 25.43 C ATOM 1246 O LEU A 77 -2.451 -5.999 5.782 1.00 53.14 O ATOM 1247 CB LEU A 77 -0.411 -3.931 4.862 1.00 4.31 C ATOM 1248 CG LEU A 77 -0.219 -2.578 4.175 1.00 11.14 C ATOM 1249 CD1 LEU A 77 0.859 -2.670 3.107 1.00 3.50 C ATOM 1250 CD2 LEU A 77 -1.530 -2.096 3.572 1.00 13.43 C ATOM 0 H LEU A 77 0.419 -3.149 7.064 1.00 71.33 H new ATOM 0 HA LEU A 77 -2.193 -3.362 5.919 1.00 33.44 H new ATOM 0 HB2 LEU A 77 0.571 -4.324 5.126 1.00 4.31 H new ATOM 0 HB3 LEU A 77 -0.848 -4.623 4.142 1.00 4.31 H new ATOM 0 HG LEU A 77 0.102 -1.854 4.924 1.00 11.14 H new ATOM 0 HD11 LEU A 77 0.982 -1.698 2.629 1.00 3.50 H new ATOM 0 HD12 LEU A 77 1.801 -2.970 3.566 1.00 3.50 H new ATOM 0 HD13 LEU A 77 0.568 -3.408 2.359 1.00 3.50 H new ATOM 0 HD21 LEU A 77 -1.375 -1.132 3.087 1.00 13.43 H new ATOM 0 HD22 LEU A 77 -1.880 -2.820 2.836 1.00 13.43 H new ATOM 0 HD23 LEU A 77 -2.276 -1.990 4.360 1.00 13.43 H new ATOM 1262 N GLY A 78 -1.123 -5.849 7.591 1.00 30.42 N ATOM 1263 CA GLY A 78 -1.426 -7.198 8.033 1.00 65.45 C ATOM 1264 C GLY A 78 -0.858 -8.253 7.104 1.00 61.32 C ATOM 1265 O GLY A 78 -0.655 -8.000 5.917 1.00 63.33 O ATOM 0 H GLY A 78 -0.474 -5.338 8.189 1.00 30.42 H new ATOM 0 HA2 GLY A 78 -1.025 -7.347 9.036 1.00 65.45 H new ATOM 0 HA3 GLY A 78 -2.507 -7.321 8.100 1.00 65.45 H new ATOM 1269 N ALA A 79 -0.600 -9.439 7.645 1.00 23.23 N ATOM 1270 CA ALA A 79 -0.052 -10.536 6.857 1.00 73.11 C ATOM 1271 C ALA A 79 -1.118 -11.149 5.955 1.00 71.21 C ATOM 1272 O ALA A 79 -0.809 -11.695 4.896 1.00 70.14 O ATOM 1273 CB ALA A 79 0.543 -11.597 7.771 1.00 73.33 C ATOM 0 H ALA A 79 -0.762 -9.665 8.626 1.00 23.23 H new ATOM 0 HA ALA A 79 0.738 -10.136 6.222 1.00 73.11 H new ATOM 0 HB1 ALA A 79 0.948 -12.410 7.169 1.00 73.33 H new ATOM 0 HB2 ALA A 79 1.340 -11.156 8.369 1.00 73.33 H new ATOM 0 HB3 ALA A 79 -0.233 -11.986 8.430 1.00 73.33 H new ATOM 1279 N ARG A 80 -2.373 -11.056 6.382 1.00 71.00 N ATOM 1280 CA ARG A 80 -3.484 -11.603 5.613 1.00 34.52 C ATOM 1281 C ARG A 80 -3.467 -11.076 4.181 1.00 22.44 C ATOM 1282 O ARG A 80 -3.681 -11.829 3.230 1.00 44.41 O ATOM 1283 CB ARG A 80 -4.816 -11.253 6.281 1.00 64.13 C ATOM 1284 CG ARG A 80 -4.859 -11.584 7.764 1.00 41.54 C ATOM 1285 CD ARG A 80 -6.114 -12.363 8.124 1.00 10.44 C ATOM 1286 NE ARG A 80 -6.137 -13.683 7.500 1.00 11.23 N ATOM 1287 CZ ARG A 80 -7.198 -14.482 7.510 1.00 52.31 C ATOM 1288 NH1 ARG A 80 -8.317 -14.096 8.108 1.00 70.31 N ATOM 1289 NH2 ARG A 80 -7.142 -15.669 6.920 1.00 43.00 N ATOM 0 H ARG A 80 -2.646 -10.607 7.256 1.00 71.00 H new ATOM 0 HA ARG A 80 -3.373 -12.687 5.584 1.00 34.52 H new ATOM 0 HB2 ARG A 80 -5.010 -10.189 6.149 1.00 64.13 H new ATOM 0 HB3 ARG A 80 -5.619 -11.789 5.774 1.00 64.13 H new ATOM 0 HG2 ARG A 80 -3.978 -12.166 8.034 1.00 41.54 H new ATOM 0 HG3 ARG A 80 -4.822 -10.662 8.345 1.00 41.54 H new ATOM 0 HD2 ARG A 80 -6.174 -12.473 9.207 1.00 10.44 H new ATOM 0 HD3 ARG A 80 -6.993 -11.799 7.811 1.00 10.44 H new ATOM 0 HE ARG A 80 -5.292 -14.009 7.031 1.00 11.23 H new ATOM 0 HH11 ARG A 80 -8.364 -13.184 8.562 1.00 70.31 H new ATOM 0 HH12 ARG A 80 -9.130 -14.711 8.114 1.00 70.31 H new ATOM 0 HH21 ARG A 80 -6.283 -15.969 6.458 1.00 43.00 H new ATOM 0 HH22 ARG A 80 -7.957 -16.282 6.928 1.00 43.00 H new ATOM 1303 N CYS A 81 -3.211 -9.781 4.037 1.00 55.14 N ATOM 1304 CA CYS A 81 -3.167 -9.153 2.721 1.00 53.31 C ATOM 1305 C CYS A 81 -1.749 -9.164 2.160 1.00 1.04 C ATOM 1306 O CYS A 81 -0.798 -8.778 2.841 1.00 40.42 O ATOM 1307 CB CYS A 81 -3.686 -7.716 2.801 1.00 24.11 C ATOM 1308 SG CYS A 81 -5.228 -7.539 3.727 1.00 14.43 S ATOM 0 H CYS A 81 -3.031 -9.146 4.814 1.00 55.14 H new ATOM 0 HA CYS A 81 -3.808 -9.726 2.051 1.00 53.31 H new ATOM 0 HB2 CYS A 81 -2.923 -7.091 3.264 1.00 24.11 H new ATOM 0 HB3 CYS A 81 -3.837 -7.339 1.790 1.00 24.11 H new ATOM 0 HG CYS A 81 -5.585 -6.289 3.741 1.00 14.43 H new ATOM 1314 N HIS A 82 -1.613 -9.611 0.916 1.00 75.02 N ATOM 1315 CA HIS A 82 -0.310 -9.674 0.264 1.00 53.13 C ATOM 1316 C HIS A 82 0.176 -8.278 -0.115 1.00 33.11 C ATOM 1317 O HIS A 82 -0.532 -7.524 -0.784 1.00 31.43 O ATOM 1318 CB HIS A 82 -0.382 -10.557 -0.982 1.00 51.04 C ATOM 1319 CG HIS A 82 0.953 -11.061 -1.437 1.00 31.52 C ATOM 1320 ND1 HIS A 82 1.717 -11.939 -0.697 1.00 62.23 N ATOM 1321 CD2 HIS A 82 1.658 -10.808 -2.564 1.00 3.12 C ATOM 1322 CE1 HIS A 82 2.836 -12.202 -1.349 1.00 31.31 C ATOM 1323 NE2 HIS A 82 2.825 -11.529 -2.485 1.00 14.50 N ATOM 0 H HIS A 82 -2.389 -9.935 0.339 1.00 75.02 H new ATOM 0 HA HIS A 82 0.400 -10.108 0.968 1.00 53.13 H new ATOM 0 HB2 HIS A 82 -1.032 -11.408 -0.777 1.00 51.04 H new ATOM 0 HB3 HIS A 82 -0.843 -9.992 -1.792 1.00 51.04 H new ATOM 0 HD2 HIS A 82 1.359 -10.160 -3.375 1.00 3.12 H new ATOM 0 HE1 HIS A 82 3.626 -12.856 -1.010 1.00 31.31 H new ATOM 0 HE2 HIS A 82 3.563 -11.542 -3.189 1.00 14.50 H new ATOM 1331 N ILE A 83 1.386 -7.941 0.317 1.00 11.35 N ATOM 1332 CA ILE A 83 1.965 -6.636 0.023 1.00 25.13 C ATOM 1333 C ILE A 83 3.165 -6.765 -0.909 1.00 61.12 C ATOM 1334 O ILE A 83 3.879 -7.767 -0.882 1.00 41.23 O ATOM 1335 CB ILE A 83 2.405 -5.912 1.310 1.00 61.32 C ATOM 1336 CG1 ILE A 83 3.508 -6.705 2.015 1.00 14.43 C ATOM 1337 CG2 ILE A 83 1.215 -5.709 2.236 1.00 25.42 C ATOM 1338 CD1 ILE A 83 4.086 -5.994 3.219 1.00 64.31 C ATOM 0 H ILE A 83 1.984 -8.553 0.872 1.00 11.35 H new ATOM 0 HA ILE A 83 1.188 -6.049 -0.467 1.00 25.13 H new ATOM 0 HB ILE A 83 2.803 -4.933 1.042 1.00 61.32 H new ATOM 0 HG12 ILE A 83 3.107 -7.669 2.330 1.00 14.43 H new ATOM 0 HG13 ILE A 83 4.309 -6.909 1.304 1.00 14.43 H new ATOM 0 HG21 ILE A 83 1.541 -5.196 3.141 1.00 25.42 H new ATOM 0 HG22 ILE A 83 0.459 -5.108 1.731 1.00 25.42 H new ATOM 0 HG23 ILE A 83 0.791 -6.677 2.501 1.00 25.42 H new ATOM 0 HD11 ILE A 83 4.862 -6.613 3.669 1.00 64.31 H new ATOM 0 HD12 ILE A 83 4.517 -5.042 2.908 1.00 64.31 H new ATOM 0 HD13 ILE A 83 3.297 -5.814 3.949 1.00 64.31 H new ATOM 1350 N GLU A 84 3.381 -5.743 -1.732 1.00 31.31 N ATOM 1351 CA GLU A 84 4.495 -5.743 -2.672 1.00 43.22 C ATOM 1352 C GLU A 84 4.996 -4.323 -2.922 1.00 11.02 C ATOM 1353 O GLU A 84 4.317 -3.347 -2.601 1.00 73.34 O ATOM 1354 CB GLU A 84 4.076 -6.387 -3.995 1.00 72.31 C ATOM 1355 CG GLU A 84 5.040 -7.455 -4.485 1.00 14.04 C ATOM 1356 CD GLU A 84 5.780 -7.040 -5.741 1.00 62.42 C ATOM 1357 OE1 GLU A 84 5.145 -6.990 -6.815 1.00 45.23 O ATOM 1358 OE2 GLU A 84 6.995 -6.766 -5.650 1.00 23.32 O ATOM 0 H GLU A 84 2.800 -4.906 -1.766 1.00 31.31 H new ATOM 0 HA GLU A 84 5.306 -6.325 -2.234 1.00 43.22 H new ATOM 0 HB2 GLU A 84 3.087 -6.829 -3.877 1.00 72.31 H new ATOM 0 HB3 GLU A 84 3.990 -5.611 -4.756 1.00 72.31 H new ATOM 0 HG2 GLU A 84 5.762 -7.676 -3.699 1.00 14.04 H new ATOM 0 HG3 GLU A 84 4.489 -8.375 -4.680 1.00 14.04 H new ATOM 1365 N LYS A 85 6.190 -4.215 -3.496 1.00 35.25 N ATOM 1366 CA LYS A 85 6.783 -2.916 -3.790 1.00 21.33 C ATOM 1367 C LYS A 85 6.163 -2.306 -5.042 1.00 53.33 C ATOM 1368 O LYS A 85 6.024 -2.974 -6.066 1.00 51.14 O ATOM 1369 CB LYS A 85 8.296 -3.054 -3.972 1.00 43.42 C ATOM 1370 CG LYS A 85 8.993 -1.741 -4.287 1.00 54.02 C ATOM 1371 CD LYS A 85 10.464 -1.785 -3.910 1.00 33.53 C ATOM 1372 CE LYS A 85 11.320 -2.287 -5.062 1.00 40.14 C ATOM 1373 NZ LYS A 85 12.675 -2.704 -4.606 1.00 40.44 N ATOM 0 H LYS A 85 6.766 -5.012 -3.767 1.00 35.25 H new ATOM 0 HA LYS A 85 6.583 -2.253 -2.948 1.00 21.33 H new ATOM 0 HB2 LYS A 85 8.726 -3.475 -3.063 1.00 43.42 H new ATOM 0 HB3 LYS A 85 8.494 -3.763 -4.776 1.00 43.42 H new ATOM 0 HG2 LYS A 85 8.896 -1.523 -5.350 1.00 54.02 H new ATOM 0 HG3 LYS A 85 8.503 -0.930 -3.749 1.00 54.02 H new ATOM 0 HD2 LYS A 85 10.795 -0.789 -3.616 1.00 33.53 H new ATOM 0 HD3 LYS A 85 10.600 -2.434 -3.045 1.00 33.53 H new ATOM 0 HE2 LYS A 85 10.823 -3.130 -5.543 1.00 40.14 H new ATOM 0 HE3 LYS A 85 11.415 -1.502 -5.813 1.00 40.14 H new ATOM 0 HZ1 LYS A 85 13.227 -3.040 -5.421 1.00 40.44 H new ATOM 0 HZ2 LYS A 85 13.159 -1.894 -4.170 1.00 40.44 H new ATOM 0 HZ3 LYS A 85 12.586 -3.470 -3.909 1.00 40.44 H new ATOM 1387 N ALA A 86 5.793 -1.032 -4.953 1.00 74.44 N ATOM 1388 CA ALA A 86 5.191 -0.331 -6.081 1.00 33.43 C ATOM 1389 C ALA A 86 6.253 0.360 -6.928 1.00 64.12 C ATOM 1390 O ALA A 86 7.356 0.636 -6.456 1.00 3.31 O ATOM 1391 CB ALA A 86 4.166 0.680 -5.587 1.00 63.23 C ATOM 0 H ALA A 86 5.900 -0.465 -4.112 1.00 74.44 H new ATOM 0 HA ALA A 86 4.687 -1.067 -6.708 1.00 33.43 H new ATOM 0 HB1 ALA A 86 3.724 1.196 -6.439 1.00 63.23 H new ATOM 0 HB2 ALA A 86 3.384 0.163 -5.031 1.00 63.23 H new ATOM 0 HB3 ALA A 86 4.655 1.406 -4.937 1.00 63.23 H new ATOM 1397 N LYS A 87 5.915 0.636 -8.183 1.00 41.30 N ATOM 1398 CA LYS A 87 6.839 1.296 -9.098 1.00 25.14 C ATOM 1399 C LYS A 87 6.088 2.182 -10.086 1.00 12.24 C ATOM 1400 O LYS A 87 4.998 1.836 -10.540 1.00 42.31 O ATOM 1401 CB LYS A 87 7.667 0.256 -9.856 1.00 44.33 C ATOM 1402 CG LYS A 87 6.888 -0.469 -10.940 1.00 2.03 C ATOM 1403 CD LYS A 87 7.143 -1.966 -10.902 1.00 62.45 C ATOM 1404 CE LYS A 87 6.067 -2.734 -11.655 1.00 42.02 C ATOM 1405 NZ LYS A 87 6.625 -3.470 -12.823 1.00 43.24 N ATOM 0 H LYS A 87 5.007 0.413 -8.590 1.00 41.30 H new ATOM 0 HA LYS A 87 7.507 1.925 -8.509 1.00 25.14 H new ATOM 0 HB2 LYS A 87 8.529 0.748 -10.307 1.00 44.33 H new ATOM 0 HB3 LYS A 87 8.053 -0.476 -9.147 1.00 44.33 H new ATOM 0 HG2 LYS A 87 5.822 -0.277 -10.814 1.00 2.03 H new ATOM 0 HG3 LYS A 87 7.169 -0.076 -11.917 1.00 2.03 H new ATOM 0 HD2 LYS A 87 8.118 -2.181 -11.339 1.00 62.45 H new ATOM 0 HD3 LYS A 87 7.176 -2.304 -9.866 1.00 62.45 H new ATOM 0 HE2 LYS A 87 5.584 -3.439 -10.979 1.00 42.02 H new ATOM 0 HE3 LYS A 87 5.298 -2.041 -11.996 1.00 42.02 H new ATOM 0 HZ1 LYS A 87 5.860 -3.980 -13.309 1.00 43.24 H new ATOM 0 HZ2 LYS A 87 7.064 -2.795 -13.481 1.00 43.24 H new ATOM 0 HZ3 LYS A 87 7.341 -4.150 -12.495 1.00 43.24 H new ATOM 1419 N GLY A 88 6.678 3.327 -10.415 1.00 44.01 N ATOM 1420 CA GLY A 88 6.051 4.244 -11.348 1.00 75.03 C ATOM 1421 C GLY A 88 5.833 5.620 -10.751 1.00 43.35 C ATOM 1422 O GLY A 88 6.215 5.878 -9.609 1.00 74.11 O ATOM 0 H GLY A 88 7.580 3.636 -10.052 1.00 44.01 H new ATOM 0 HA2 GLY A 88 6.673 4.332 -12.239 1.00 75.03 H new ATOM 0 HA3 GLY A 88 5.093 3.834 -11.667 1.00 75.03 H new ATOM 1426 N THR A 89 5.220 6.510 -11.526 1.00 73.42 N ATOM 1427 CA THR A 89 4.955 7.868 -11.069 1.00 31.11 C ATOM 1428 C THR A 89 3.627 7.948 -10.324 1.00 43.32 C ATOM 1429 O THR A 89 2.881 6.971 -10.259 1.00 0.30 O ATOM 1430 CB THR A 89 4.932 8.862 -12.245 1.00 52.21 C ATOM 1431 OG1 THR A 89 3.724 8.703 -12.997 1.00 53.32 O ATOM 1432 CG2 THR A 89 6.133 8.652 -13.155 1.00 12.22 C ATOM 0 H THR A 89 4.898 6.314 -12.474 1.00 73.42 H new ATOM 0 HA THR A 89 5.765 8.137 -10.391 1.00 31.11 H new ATOM 0 HB THR A 89 4.976 9.872 -11.839 1.00 52.21 H new ATOM 0 HG1 THR A 89 3.884 8.094 -13.748 1.00 53.32 H new ATOM 0 HG21 THR A 89 6.095 9.365 -13.978 1.00 12.22 H new ATOM 0 HG22 THR A 89 7.051 8.802 -12.587 1.00 12.22 H new ATOM 0 HG23 THR A 89 6.115 7.637 -13.553 1.00 12.22 H new ATOM 1440 N ASP A 90 3.338 9.118 -9.765 1.00 22.14 N ATOM 1441 CA ASP A 90 2.099 9.326 -9.025 1.00 55.34 C ATOM 1442 C ASP A 90 0.889 8.959 -9.879 1.00 33.32 C ATOM 1443 O ASP A 90 -0.069 8.362 -9.389 1.00 34.23 O ATOM 1444 CB ASP A 90 1.992 10.781 -8.567 1.00 14.52 C ATOM 1445 CG ASP A 90 1.739 11.734 -9.719 1.00 2.44 C ATOM 1446 OD1 ASP A 90 2.676 11.969 -10.511 1.00 74.12 O ATOM 1447 OD2 ASP A 90 0.605 12.245 -9.828 1.00 30.10 O ATOM 0 H ASP A 90 3.945 9.937 -9.810 1.00 22.14 H new ATOM 0 HA ASP A 90 2.114 8.678 -8.149 1.00 55.34 H new ATOM 0 HB2 ASP A 90 1.185 10.872 -7.840 1.00 14.52 H new ATOM 0 HB3 ASP A 90 2.912 11.067 -8.058 1.00 14.52 H new ATOM 1452 N GLN A 91 0.940 9.320 -11.157 1.00 4.33 N ATOM 1453 CA GLN A 91 -0.152 9.030 -12.077 1.00 74.22 C ATOM 1454 C GLN A 91 -0.238 7.535 -12.366 1.00 32.32 C ATOM 1455 O GLN A 91 -1.328 6.985 -12.520 1.00 54.12 O ATOM 1456 CB GLN A 91 0.034 9.804 -13.384 1.00 33.55 C ATOM 1457 CG GLN A 91 -0.185 11.301 -13.240 1.00 44.10 C ATOM 1458 CD GLN A 91 -1.599 11.647 -12.819 1.00 53.04 C ATOM 1459 OE1 GLN A 91 -1.866 11.899 -11.644 1.00 4.41 O ATOM 1460 NE2 GLN A 91 -2.516 11.661 -13.780 1.00 32.22 N ATOM 0 H GLN A 91 1.727 9.814 -11.579 1.00 4.33 H new ATOM 0 HA GLN A 91 -1.083 9.345 -11.606 1.00 74.22 H new ATOM 0 HB2 GLN A 91 1.041 9.627 -13.761 1.00 33.55 H new ATOM 0 HB3 GLN A 91 -0.659 9.414 -14.130 1.00 33.55 H new ATOM 0 HG2 GLN A 91 0.516 11.698 -12.505 1.00 44.10 H new ATOM 0 HG3 GLN A 91 0.037 11.790 -14.189 1.00 44.10 H new ATOM 0 HE21 GLN A 91 -2.251 11.446 -14.741 1.00 32.22 H new ATOM 0 HE22 GLN A 91 -3.485 11.887 -13.557 1.00 32.22 H new ATOM 1469 N GLN A 92 0.918 6.884 -12.437 1.00 62.53 N ATOM 1470 CA GLN A 92 0.973 5.452 -12.709 1.00 33.15 C ATOM 1471 C GLN A 92 0.304 4.660 -11.590 1.00 1.03 C ATOM 1472 O GLN A 92 -0.414 3.694 -11.844 1.00 11.15 O ATOM 1473 CB GLN A 92 2.424 4.998 -12.874 1.00 70.31 C ATOM 1474 CG GLN A 92 2.905 5.010 -14.316 1.00 74.13 C ATOM 1475 CD GLN A 92 2.451 6.243 -15.072 1.00 51.22 C ATOM 1476 OE1 GLN A 92 3.363 7.188 -15.265 1.00 71.41 O flip ATOM 1477 NE2 GLN A 92 1.293 6.346 -15.478 1.00 43.43 N flip ATOM 0 H GLN A 92 1.829 7.325 -12.310 1.00 62.53 H new ATOM 0 HA GLN A 92 0.433 5.263 -13.637 1.00 33.15 H new ATOM 0 HB2 GLN A 92 3.068 5.646 -12.279 1.00 70.31 H new ATOM 0 HB3 GLN A 92 2.528 3.990 -12.473 1.00 70.31 H new ATOM 0 HG2 GLN A 92 3.994 4.959 -14.332 1.00 74.13 H new ATOM 0 HG3 GLN A 92 2.536 4.120 -14.825 1.00 74.13 H new ATOM 0 HE21 GLN A 92 0.624 5.595 -15.308 1.00 43.43 H new ATOM 0 HE22 GLN A 92 1.003 7.182 -15.985 1.00 43.43 H new ATOM 1486 N ASN A 93 0.546 5.076 -10.351 1.00 21.02 N ATOM 1487 CA ASN A 93 -0.032 4.404 -9.192 1.00 51.54 C ATOM 1488 C ASN A 93 -1.496 4.795 -9.012 1.00 2.23 C ATOM 1489 O ASN A 93 -2.353 3.943 -8.777 1.00 11.44 O ATOM 1490 CB ASN A 93 0.759 4.749 -7.929 1.00 42.42 C ATOM 1491 CG ASN A 93 2.051 3.962 -7.823 1.00 50.01 C ATOM 1492 OD1 ASN A 93 2.783 3.875 -8.928 1.00 74.14 O flip ATOM 1493 ND2 ASN A 93 2.387 3.439 -6.760 1.00 32.43 N flip ATOM 0 H ASN A 93 1.138 5.875 -10.124 1.00 21.02 H new ATOM 0 HA ASN A 93 0.021 3.329 -9.362 1.00 51.54 H new ATOM 0 HB2 ASN A 93 0.985 5.815 -7.925 1.00 42.42 H new ATOM 0 HB3 ASN A 93 0.143 4.550 -7.052 1.00 42.42 H new ATOM 0 HD21 ASN A 93 1.793 3.532 -5.936 1.00 32.43 H new ATOM 0 HD22 ASN A 93 3.259 2.913 -6.704 1.00 32.43 H new ATOM 1500 N LYS A 94 -1.775 6.089 -9.124 1.00 10.44 N ATOM 1501 CA LYS A 94 -3.135 6.595 -8.975 1.00 25.12 C ATOM 1502 C LYS A 94 -4.052 6.012 -10.045 1.00 20.11 C ATOM 1503 O LYS A 94 -5.172 5.594 -9.754 1.00 11.04 O ATOM 1504 CB LYS A 94 -3.144 8.123 -9.057 1.00 53.11 C ATOM 1505 CG LYS A 94 -4.422 8.752 -8.531 1.00 15.44 C ATOM 1506 CD LYS A 94 -5.136 9.551 -9.608 1.00 42.25 C ATOM 1507 CE LYS A 94 -4.309 10.747 -10.055 1.00 11.43 C ATOM 1508 NZ LYS A 94 -4.948 11.471 -11.189 1.00 1.02 N ATOM 0 H LYS A 94 -1.077 6.807 -9.318 1.00 10.44 H new ATOM 0 HA LYS A 94 -3.506 6.288 -7.997 1.00 25.12 H new ATOM 0 HB2 LYS A 94 -2.297 8.514 -8.493 1.00 53.11 H new ATOM 0 HB3 LYS A 94 -3.001 8.424 -10.095 1.00 53.11 H new ATOM 0 HG2 LYS A 94 -5.085 7.972 -8.156 1.00 15.44 H new ATOM 0 HG3 LYS A 94 -4.188 9.403 -7.689 1.00 15.44 H new ATOM 0 HD2 LYS A 94 -5.340 8.908 -10.464 1.00 42.25 H new ATOM 0 HD3 LYS A 94 -6.099 9.894 -9.230 1.00 42.25 H new ATOM 0 HE2 LYS A 94 -4.176 11.431 -9.216 1.00 11.43 H new ATOM 0 HE3 LYS A 94 -3.316 10.411 -10.352 1.00 11.43 H new ATOM 0 HZ1 LYS A 94 -4.222 11.992 -11.722 1.00 1.02 H new ATOM 0 HZ2 LYS A 94 -5.415 10.787 -11.818 1.00 1.02 H new ATOM 0 HZ3 LYS A 94 -5.653 12.140 -10.820 1.00 1.02 H new ATOM 1522 N GLU A 95 -3.568 5.986 -11.283 1.00 13.11 N ATOM 1523 CA GLU A 95 -4.346 5.453 -12.395 1.00 50.12 C ATOM 1524 C GLU A 95 -4.469 3.935 -12.295 1.00 43.34 C ATOM 1525 O GLU A 95 -5.514 3.364 -12.606 1.00 15.40 O ATOM 1526 CB GLU A 95 -3.700 5.837 -13.728 1.00 73.12 C ATOM 1527 CG GLU A 95 -3.774 7.323 -14.034 1.00 41.35 C ATOM 1528 CD GLU A 95 -5.106 7.730 -14.635 1.00 4.11 C ATOM 1529 OE1 GLU A 95 -5.326 7.454 -15.832 1.00 74.53 O ATOM 1530 OE2 GLU A 95 -5.927 8.325 -13.906 1.00 51.12 O ATOM 0 H GLU A 95 -2.642 6.327 -11.541 1.00 13.11 H new ATOM 0 HA GLU A 95 -5.346 5.885 -12.346 1.00 50.12 H new ATOM 0 HB2 GLU A 95 -2.655 5.528 -13.718 1.00 73.12 H new ATOM 0 HB3 GLU A 95 -4.188 5.284 -14.531 1.00 73.12 H new ATOM 0 HG2 GLU A 95 -3.606 7.888 -13.117 1.00 41.35 H new ATOM 0 HG3 GLU A 95 -2.972 7.588 -14.723 1.00 41.35 H new ATOM 1537 N TYR A 96 -3.393 3.288 -11.861 1.00 12.34 N ATOM 1538 CA TYR A 96 -3.378 1.837 -11.722 1.00 73.24 C ATOM 1539 C TYR A 96 -4.504 1.365 -10.807 1.00 4.24 C ATOM 1540 O TYR A 96 -5.219 0.414 -11.123 1.00 31.10 O ATOM 1541 CB TYR A 96 -2.029 1.370 -11.173 1.00 72.44 C ATOM 1542 CG TYR A 96 -1.984 -0.108 -10.854 1.00 51.35 C ATOM 1543 CD1 TYR A 96 -2.413 -0.586 -9.622 1.00 40.42 C ATOM 1544 CD2 TYR A 96 -1.512 -1.025 -11.785 1.00 22.45 C ATOM 1545 CE1 TYR A 96 -2.373 -1.934 -9.326 1.00 20.31 C ATOM 1546 CE2 TYR A 96 -1.470 -2.376 -11.497 1.00 44.15 C ATOM 1547 CZ TYR A 96 -1.901 -2.825 -10.267 1.00 30.51 C ATOM 1548 OH TYR A 96 -1.859 -4.170 -9.977 1.00 12.04 O ATOM 0 H TYR A 96 -2.520 3.746 -11.599 1.00 12.34 H new ATOM 0 HA TYR A 96 -3.531 1.402 -12.709 1.00 73.24 H new ATOM 0 HB2 TYR A 96 -1.251 1.600 -11.901 1.00 72.44 H new ATOM 0 HB3 TYR A 96 -1.798 1.935 -10.270 1.00 72.44 H new ATOM 0 HD1 TYR A 96 -2.784 0.109 -8.883 1.00 40.42 H new ATOM 0 HD2 TYR A 96 -1.172 -0.676 -12.749 1.00 22.45 H new ATOM 0 HE1 TYR A 96 -2.709 -2.289 -8.363 1.00 20.31 H new ATOM 0 HE2 TYR A 96 -1.101 -3.076 -12.232 1.00 44.15 H new ATOM 0 HH TYR A 96 -1.502 -4.660 -10.747 1.00 12.04 H new ATOM 1558 N CYS A 97 -4.654 2.038 -9.671 1.00 71.40 N ATOM 1559 CA CYS A 97 -5.692 1.689 -8.708 1.00 32.55 C ATOM 1560 C CYS A 97 -7.078 1.991 -9.268 1.00 10.11 C ATOM 1561 O CYS A 97 -8.028 1.242 -9.040 1.00 1.00 O ATOM 1562 CB CYS A 97 -5.480 2.452 -7.399 1.00 70.52 C ATOM 1563 SG CYS A 97 -6.572 1.930 -6.055 1.00 42.34 S ATOM 0 H CYS A 97 -4.070 2.828 -9.395 1.00 71.40 H new ATOM 0 HA CYS A 97 -5.625 0.619 -8.511 1.00 32.55 H new ATOM 0 HB2 CYS A 97 -4.445 2.326 -7.081 1.00 70.52 H new ATOM 0 HB3 CYS A 97 -5.630 3.516 -7.583 1.00 70.52 H new ATOM 0 HG CYS A 97 -6.447 0.650 -5.867 1.00 42.34 H new ATOM 1569 N SER A 98 -7.186 3.095 -10.001 1.00 34.33 N ATOM 1570 CA SER A 98 -8.458 3.500 -10.589 1.00 65.23 C ATOM 1571 C SER A 98 -8.789 2.644 -11.808 1.00 33.22 C ATOM 1572 O SER A 98 -9.913 2.667 -12.310 1.00 70.54 O ATOM 1573 CB SER A 98 -8.412 4.977 -10.986 1.00 74.43 C ATOM 1574 OG SER A 98 -9.715 5.482 -11.220 1.00 74.24 O ATOM 0 H SER A 98 -6.409 3.724 -10.202 1.00 34.33 H new ATOM 0 HA SER A 98 -9.239 3.356 -9.842 1.00 65.23 H new ATOM 0 HB2 SER A 98 -7.931 5.554 -10.196 1.00 74.43 H new ATOM 0 HB3 SER A 98 -7.805 5.097 -11.884 1.00 74.43 H new ATOM 0 HG SER A 98 -10.237 4.820 -11.720 1.00 74.24 H new ATOM 1580 N LYS A 99 -7.803 1.889 -12.279 1.00 24.43 N ATOM 1581 CA LYS A 99 -7.987 1.023 -13.438 1.00 11.15 C ATOM 1582 C LYS A 99 -9.125 0.035 -13.203 1.00 21.33 C ATOM 1583 O LYS A 99 -9.701 -0.498 -14.150 1.00 63.45 O ATOM 1584 CB LYS A 99 -6.694 0.265 -13.744 1.00 63.35 C ATOM 1585 CG LYS A 99 -6.782 -0.614 -14.980 1.00 55.23 C ATOM 1586 CD LYS A 99 -6.514 -2.072 -14.648 1.00 62.04 C ATOM 1587 CE LYS A 99 -5.120 -2.264 -14.070 1.00 34.34 C ATOM 1588 NZ LYS A 99 -4.073 -1.643 -14.927 1.00 12.44 N ATOM 0 H LYS A 99 -6.867 1.859 -11.876 1.00 24.43 H new ATOM 0 HA LYS A 99 -8.244 1.650 -14.292 1.00 11.15 H new ATOM 0 HB2 LYS A 99 -5.884 0.983 -13.876 1.00 63.35 H new ATOM 0 HB3 LYS A 99 -6.434 -0.354 -12.886 1.00 63.35 H new ATOM 0 HG2 LYS A 99 -7.772 -0.518 -15.426 1.00 55.23 H new ATOM 0 HG3 LYS A 99 -6.062 -0.271 -15.723 1.00 55.23 H new ATOM 0 HD2 LYS A 99 -7.257 -2.426 -13.934 1.00 62.04 H new ATOM 0 HD3 LYS A 99 -6.623 -2.677 -15.548 1.00 62.04 H new ATOM 0 HE2 LYS A 99 -5.078 -1.828 -13.072 1.00 34.34 H new ATOM 0 HE3 LYS A 99 -4.916 -3.329 -13.962 1.00 34.34 H new ATOM 0 HZ1 LYS A 99 -3.136 -1.990 -14.638 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 -4.244 -1.895 -15.921 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 -4.106 -0.609 -14.822 1.00 12.44 H new ATOM 1602 N GLU A 100 -9.444 -0.203 -11.934 1.00 62.43 N ATOM 1603 CA GLU A 100 -10.514 -1.127 -11.577 1.00 24.42 C ATOM 1604 C GLU A 100 -11.880 -0.526 -11.893 1.00 71.44 C ATOM 1605 O GLU A 100 -12.879 -1.240 -11.982 1.00 44.52 O ATOM 1606 CB GLU A 100 -10.433 -1.485 -10.091 1.00 75.43 C ATOM 1607 CG GLU A 100 -9.146 -2.193 -9.705 1.00 20.55 C ATOM 1608 CD GLU A 100 -8.501 -1.597 -8.469 1.00 4.12 C ATOM 1609 OE1 GLU A 100 -9.242 -1.167 -7.560 1.00 63.15 O ATOM 1610 OE2 GLU A 100 -7.254 -1.560 -8.411 1.00 25.34 O ATOM 0 H GLU A 100 -8.977 0.231 -11.137 1.00 62.43 H new ATOM 0 HA GLU A 100 -10.390 -2.033 -12.169 1.00 24.42 H new ATOM 0 HB2 GLU A 100 -10.527 -0.574 -9.501 1.00 75.43 H new ATOM 0 HB3 GLU A 100 -11.279 -2.121 -9.833 1.00 75.43 H new ATOM 0 HG2 GLU A 100 -9.355 -3.248 -9.528 1.00 20.55 H new ATOM 0 HG3 GLU A 100 -8.444 -2.142 -10.537 1.00 20.55 H new ATOM 1617 N GLY A 101 -11.916 0.792 -12.062 1.00 4.10 N ATOM 1618 CA GLY A 101 -13.163 1.468 -12.366 1.00 35.21 C ATOM 1619 C GLY A 101 -13.995 1.734 -11.127 1.00 12.21 C ATOM 1620 O GLY A 101 -15.059 2.347 -11.205 1.00 70.15 O ATOM 0 H GLY A 101 -11.103 1.404 -11.994 1.00 4.10 H new ATOM 0 HA2 GLY A 101 -12.948 2.413 -12.865 1.00 35.21 H new ATOM 0 HA3 GLY A 101 -13.740 0.862 -13.064 1.00 35.21 H new ATOM 1624 N ASN A 102 -13.510 1.271 -9.979 1.00 41.05 N ATOM 1625 CA ASN A 102 -14.217 1.461 -8.718 1.00 74.14 C ATOM 1626 C ASN A 102 -13.264 1.936 -7.626 1.00 52.52 C ATOM 1627 O ASN A 102 -12.257 1.287 -7.340 1.00 13.43 O ATOM 1628 CB ASN A 102 -14.894 0.158 -8.288 1.00 74.12 C ATOM 1629 CG ASN A 102 -16.386 0.325 -8.074 1.00 74.25 C ATOM 1630 OD1 ASN A 102 -17.041 1.105 -8.767 1.00 24.40 O ATOM 1631 ND2 ASN A 102 -16.932 -0.409 -7.112 1.00 23.35 N ATOM 0 H ASN A 102 -12.630 0.762 -9.896 1.00 41.05 H new ATOM 0 HA ASN A 102 -14.978 2.226 -8.869 1.00 74.14 H new ATOM 0 HB2 ASN A 102 -14.722 -0.605 -9.047 1.00 74.12 H new ATOM 0 HB3 ASN A 102 -14.435 -0.200 -7.366 1.00 74.12 H new ATOM 0 HD21 ASN A 102 -17.932 -0.340 -6.923 1.00 23.35 H new ATOM 0 HD22 ASN A 102 -16.352 -1.042 -6.562 1.00 23.35 H new ATOM 1638 N LEU A 103 -13.589 3.073 -7.019 1.00 63.32 N ATOM 1639 CA LEU A 103 -12.762 3.636 -5.957 1.00 72.12 C ATOM 1640 C LEU A 103 -13.315 3.269 -4.584 1.00 32.30 C ATOM 1641 O LEU A 103 -14.523 3.336 -4.351 1.00 1.12 O ATOM 1642 CB LEU A 103 -12.683 5.157 -6.098 1.00 14.12 C ATOM 1643 CG LEU A 103 -11.284 5.741 -6.298 1.00 14.14 C ATOM 1644 CD1 LEU A 103 -10.465 5.613 -5.023 1.00 32.52 C ATOM 1645 CD2 LEU A 103 -10.580 5.053 -7.458 1.00 51.41 C ATOM 0 H LEU A 103 -14.418 3.622 -7.244 1.00 63.32 H new ATOM 0 HA LEU A 103 -11.760 3.216 -6.049 1.00 72.12 H new ATOM 0 HB2 LEU A 103 -13.304 5.456 -6.942 1.00 14.12 H new ATOM 0 HB3 LEU A 103 -13.119 5.608 -5.206 1.00 14.12 H new ATOM 0 HG LEU A 103 -11.384 6.800 -6.536 1.00 14.14 H new ATOM 0 HD11 LEU A 103 -9.473 6.034 -5.184 1.00 32.52 H new ATOM 0 HD12 LEU A 103 -10.961 6.152 -4.216 1.00 32.52 H new ATOM 0 HD13 LEU A 103 -10.374 4.561 -4.753 1.00 32.52 H new ATOM 0 HD21 LEU A 103 -9.586 5.481 -7.586 1.00 51.41 H new ATOM 0 HD22 LEU A 103 -10.492 3.987 -7.249 1.00 51.41 H new ATOM 0 HD23 LEU A 103 -11.157 5.197 -8.371 1.00 51.41 H new ATOM 1657 N LEU A 104 -12.425 2.882 -3.677 1.00 45.14 N ATOM 1658 CA LEU A 104 -12.823 2.506 -2.325 1.00 42.23 C ATOM 1659 C LEU A 104 -12.432 3.587 -1.322 1.00 72.13 C ATOM 1660 O LEU A 104 -13.194 3.905 -0.410 1.00 54.51 O ATOM 1661 CB LEU A 104 -12.179 1.175 -1.934 1.00 60.23 C ATOM 1662 CG LEU A 104 -12.560 0.623 -0.560 1.00 72.22 C ATOM 1663 CD1 LEU A 104 -13.972 0.057 -0.585 1.00 3.30 C ATOM 1664 CD2 LEU A 104 -11.565 -0.440 -0.118 1.00 34.41 C ATOM 0 H LEU A 104 -11.422 2.820 -3.853 1.00 45.14 H new ATOM 0 HA LEU A 104 -13.907 2.396 -2.309 1.00 42.23 H new ATOM 0 HB2 LEU A 104 -12.441 0.432 -2.687 1.00 60.23 H new ATOM 0 HB3 LEU A 104 -11.096 1.294 -1.968 1.00 60.23 H new ATOM 0 HG LEU A 104 -12.531 1.441 0.160 1.00 72.22 H new ATOM 0 HD11 LEU A 104 -14.226 -0.331 0.401 1.00 3.30 H new ATOM 0 HD12 LEU A 104 -14.675 0.844 -0.857 1.00 3.30 H new ATOM 0 HD13 LEU A 104 -14.028 -0.748 -1.317 1.00 3.30 H new ATOM 0 HD21 LEU A 104 -11.852 -0.822 0.862 1.00 34.41 H new ATOM 0 HD22 LEU A 104 -11.562 -1.257 -0.839 1.00 34.41 H new ATOM 0 HD23 LEU A 104 -10.568 -0.003 -0.060 1.00 34.41 H new ATOM 1676 N MET A 105 -11.241 4.149 -1.499 1.00 62.53 N ATOM 1677 CA MET A 105 -10.751 5.196 -0.611 1.00 42.44 C ATOM 1678 C MET A 105 -9.875 6.188 -1.372 1.00 34.24 C ATOM 1679 O MET A 105 -9.037 5.794 -2.181 1.00 43.12 O ATOM 1680 CB MET A 105 -9.961 4.585 0.547 1.00 22.32 C ATOM 1681 CG MET A 105 -9.034 5.571 1.239 1.00 41.35 C ATOM 1682 SD MET A 105 -8.954 5.317 3.022 1.00 55.21 S ATOM 1683 CE MET A 105 -7.389 4.460 3.172 1.00 31.24 C ATOM 0 H MET A 105 -10.598 3.897 -2.249 1.00 62.53 H new ATOM 0 HA MET A 105 -11.613 5.731 -0.211 1.00 42.44 H new ATOM 0 HB2 MET A 105 -10.660 4.181 1.279 1.00 22.32 H new ATOM 0 HB3 MET A 105 -9.372 3.748 0.172 1.00 22.32 H new ATOM 0 HG2 MET A 105 -8.033 5.479 0.818 1.00 41.35 H new ATOM 0 HG3 MET A 105 -9.373 6.587 1.036 1.00 41.35 H new ATOM 0 HE1 MET A 105 -7.059 4.483 4.211 1.00 31.24 H new ATOM 0 HE2 MET A 105 -7.509 3.425 2.853 1.00 31.24 H new ATOM 0 HE3 MET A 105 -6.645 4.949 2.544 1.00 31.24 H new ATOM 1693 N GLU A 106 -10.077 7.474 -1.105 1.00 54.40 N ATOM 1694 CA GLU A 106 -9.306 8.521 -1.766 1.00 33.12 C ATOM 1695 C GLU A 106 -8.790 9.539 -0.753 1.00 34.33 C ATOM 1696 O GLU A 106 -9.552 10.359 -0.239 1.00 5.34 O ATOM 1697 CB GLU A 106 -10.161 9.225 -2.822 1.00 65.44 C ATOM 1698 CG GLU A 106 -9.455 9.403 -4.156 1.00 65.30 C ATOM 1699 CD GLU A 106 -10.041 10.532 -4.980 1.00 41.42 C ATOM 1700 OE1 GLU A 106 -10.873 11.291 -4.439 1.00 63.22 O ATOM 1701 OE2 GLU A 106 -9.669 10.658 -6.165 1.00 43.15 O ATOM 0 H GLU A 106 -10.767 7.816 -0.436 1.00 54.40 H new ATOM 0 HA GLU A 106 -8.450 8.054 -2.254 1.00 33.12 H new ATOM 0 HB2 GLU A 106 -11.075 8.653 -2.978 1.00 65.44 H new ATOM 0 HB3 GLU A 106 -10.458 10.203 -2.444 1.00 65.44 H new ATOM 0 HG2 GLU A 106 -8.397 9.598 -3.980 1.00 65.30 H new ATOM 0 HG3 GLU A 106 -9.518 8.474 -4.723 1.00 65.30 H new ATOM 1708 N CYS A 107 -7.494 9.478 -0.470 1.00 42.44 N ATOM 1709 CA CYS A 107 -6.875 10.393 0.482 1.00 13.53 C ATOM 1710 C CYS A 107 -5.406 10.622 0.142 1.00 73.22 C ATOM 1711 O CYS A 107 -4.875 10.024 -0.793 1.00 40.10 O ATOM 1712 CB CYS A 107 -7.002 9.845 1.904 1.00 35.13 C ATOM 1713 SG CYS A 107 -8.586 10.210 2.698 1.00 43.05 S ATOM 0 H CYS A 107 -6.851 8.804 -0.886 1.00 42.44 H new ATOM 0 HA CYS A 107 -7.396 11.348 0.420 1.00 13.53 H new ATOM 0 HB2 CYS A 107 -6.861 8.764 1.879 1.00 35.13 H new ATOM 0 HB3 CYS A 107 -6.198 10.258 2.514 1.00 35.13 H new ATOM 0 HG CYS A 107 -9.500 10.372 1.788 1.00 43.05 H new ATOM 1719 N GLY A 108 -4.755 11.493 0.907 1.00 51.03 N ATOM 1720 CA GLY A 108 -3.354 11.787 0.669 1.00 60.31 C ATOM 1721 C GLY A 108 -3.139 12.611 -0.585 1.00 21.11 C ATOM 1722 O GLY A 108 -4.096 12.984 -1.262 1.00 72.02 O ATOM 0 H GLY A 108 -5.173 12.000 1.687 1.00 51.03 H new ATOM 0 HA2 GLY A 108 -2.948 12.323 1.527 1.00 60.31 H new ATOM 0 HA3 GLY A 108 -2.799 10.853 0.586 1.00 60.31 H new