USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 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= -0.0541 K(o=-0.054,f=-0.77) USER MOD Set 1.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 59 GLN : amide:sc= -5.34! K(o=-5.3!,f=-4) USER MOD Set 2.2: A 96 TYR OH : rot 5:sc= 0.0547 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.436 K(o=-0.44,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.743) USER MOD Single : A 20 THR OG1 : rot 32:sc= 0.147 USER MOD Single : A 22 ASN : amide:sc= 0.0899 K(o=0.09,f=-4.7!) USER MOD Single : A 23 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.19) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -154:sc= 0.848 (180deg=0.358) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00783 USER MOD Single : A 42 TYR OH : rot -16:sc= -1.15 USER MOD Single : A 57 HIS : no HE2:sc= -2.39 K(o=-2.4,f=-3) USER MOD Single : A 63 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.9!) 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= -1.79 K(o=-1.8,f=-3.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 167:sc= -0.331 (180deg=-0.512) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 81 CYS SG : rot -100:sc= 0.649 USER MOD Single : A 82 HIS : no HD1:sc=-0.000778 X(o=-0.00078,f=-0.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.66 USER MOD Single : A 92 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.018) USER MOD Single : A 93 ASN : amide:sc= -2.85! C(o=-2.9!,f=-1.5!) USER MOD Single : A 97 CYS SG : rot 77:sc= -0.522 USER MOD Single : A 98 SER OG : rot -34:sc= 0.0376 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 105 MET CE :methyl 161:sc= -0.803 (180deg=-1.92) USER MOD Single : A 107 CYS SG : rot 29:sc= 0.283 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 12 14.786 -4.658 2.179 1.00 31.30 N ATOM 148 CA GLN A 12 14.845 -3.475 3.028 1.00 12.35 C ATOM 149 C GLN A 12 13.500 -2.755 3.054 1.00 62.42 C ATOM 150 O GLN A 12 12.702 -2.846 2.120 1.00 24.04 O ATOM 151 CB GLN A 12 15.937 -2.523 2.538 1.00 53.44 C ATOM 152 CG GLN A 12 17.204 -3.231 2.087 1.00 51.13 C ATOM 153 CD GLN A 12 18.310 -2.265 1.710 1.00 71.02 C ATOM 154 OE1 GLN A 12 18.767 -1.474 2.535 1.00 10.12 O ATOM 155 NE2 GLN A 12 18.747 -2.325 0.457 1.00 12.52 N ATOM 0 HA GLN A 12 15.083 -3.798 4.041 1.00 12.35 H new ATOM 0 HB2 GLN A 12 15.547 -1.932 1.710 1.00 53.44 H new ATOM 0 HB3 GLN A 12 16.186 -1.826 3.338 1.00 53.44 H new ATOM 0 HG2 GLN A 12 17.554 -3.885 2.886 1.00 51.13 H new ATOM 0 HG3 GLN A 12 16.975 -3.867 1.232 1.00 51.13 H new ATOM 0 HE21 GLN A 12 18.339 -2.996 -0.194 1.00 12.52 H new ATOM 0 HE22 GLN A 12 19.490 -1.700 0.146 1.00 12.52 H new ATOM 164 N PRO A 13 13.241 -2.023 4.147 1.00 33.23 N ATOM 165 CA PRO A 13 11.993 -1.274 4.320 1.00 12.24 C ATOM 166 C PRO A 13 11.899 -0.079 3.378 1.00 12.31 C ATOM 167 O PRO A 13 12.908 0.544 3.046 1.00 21.21 O ATOM 168 CB PRO A 13 12.060 -0.804 5.776 1.00 44.55 C ATOM 169 CG PRO A 13 13.516 -0.759 6.092 1.00 35.10 C ATOM 170 CD PRO A 13 14.146 -1.870 5.299 1.00 71.04 C ATOM 0 HA PRO A 13 11.118 -1.883 4.094 1.00 12.24 H new ATOM 0 HB2 PRO A 13 11.598 0.176 5.898 1.00 44.55 H new ATOM 0 HB3 PRO A 13 11.532 -1.490 6.438 1.00 44.55 H new ATOM 0 HG2 PRO A 13 13.945 0.206 5.821 1.00 35.10 H new ATOM 0 HG3 PRO A 13 13.688 -0.895 7.160 1.00 35.10 H new ATOM 0 HD2 PRO A 13 15.158 -1.615 4.984 1.00 71.04 H new ATOM 0 HD3 PRO A 13 14.215 -2.789 5.880 1.00 71.04 H new ATOM 178 N HIS A 14 10.681 0.238 2.950 1.00 35.44 N ATOM 179 CA HIS A 14 10.455 1.360 2.047 1.00 60.15 C ATOM 180 C HIS A 14 9.229 2.162 2.472 1.00 50.21 C ATOM 181 O HIS A 14 8.553 1.816 3.441 1.00 53.12 O ATOM 182 CB HIS A 14 10.279 0.860 0.612 1.00 22.34 C ATOM 183 CG HIS A 14 11.510 0.221 0.046 1.00 52.23 C ATOM 184 ND1 HIS A 14 11.757 -1.133 0.119 1.00 31.44 N ATOM 185 CD2 HIS A 14 12.565 0.760 -0.608 1.00 64.44 C ATOM 186 CE1 HIS A 14 12.912 -1.400 -0.463 1.00 60.43 C ATOM 187 NE2 HIS A 14 13.423 -0.269 -0.914 1.00 12.32 N ATOM 0 H HIS A 14 9.835 -0.267 3.214 1.00 35.44 H new ATOM 0 HA HIS A 14 11.327 2.012 2.093 1.00 60.15 H new ATOM 0 HB2 HIS A 14 9.461 0.141 0.584 1.00 22.34 H new ATOM 0 HB3 HIS A 14 9.989 1.697 -0.023 1.00 22.34 H new ATOM 0 HD2 HIS A 14 12.706 1.804 -0.845 1.00 64.44 H new ATOM 0 HE1 HIS A 14 13.362 -2.377 -0.555 1.00 60.43 H new ATOM 0 HE2 HIS A 14 14.310 -0.175 -1.409 1.00 12.32 H new ATOM 195 N LYS A 15 8.948 3.236 1.742 1.00 42.13 N ATOM 196 CA LYS A 15 7.804 4.088 2.042 1.00 53.31 C ATOM 197 C LYS A 15 6.655 3.817 1.076 1.00 70.22 C ATOM 198 O LYS A 15 5.692 4.581 1.012 1.00 72.22 O ATOM 199 CB LYS A 15 8.207 5.563 1.970 1.00 31.21 C ATOM 200 CG LYS A 15 8.931 5.934 0.688 1.00 64.54 C ATOM 201 CD LYS A 15 10.351 6.399 0.964 1.00 63.13 C ATOM 202 CE LYS A 15 11.322 5.877 -0.084 1.00 45.32 C ATOM 203 NZ LYS A 15 12.677 6.478 0.067 1.00 73.11 N ATOM 0 H LYS A 15 9.498 3.537 0.937 1.00 42.13 H new ATOM 0 HA LYS A 15 7.468 3.858 3.053 1.00 53.31 H new ATOM 0 HB2 LYS A 15 7.313 6.180 2.064 1.00 31.21 H new ATOM 0 HB3 LYS A 15 8.848 5.798 2.820 1.00 31.21 H new ATOM 0 HG2 LYS A 15 8.952 5.074 0.019 1.00 64.54 H new ATOM 0 HG3 LYS A 15 8.382 6.723 0.174 1.00 64.54 H new ATOM 0 HD2 LYS A 15 10.382 7.488 0.979 1.00 63.13 H new ATOM 0 HD3 LYS A 15 10.661 6.057 1.951 1.00 63.13 H new ATOM 0 HE2 LYS A 15 11.395 4.792 -0.004 1.00 45.32 H new ATOM 0 HE3 LYS A 15 10.936 6.098 -1.079 1.00 45.32 H new ATOM 0 HZ1 LYS A 15 13.056 6.719 -0.871 1.00 73.11 H new ATOM 0 HZ2 LYS A 15 12.612 7.339 0.646 1.00 73.11 H new ATOM 0 HZ3 LYS A 15 13.310 5.795 0.531 1.00 73.11 H new ATOM 217 N ARG A 16 6.763 2.724 0.327 1.00 0.03 N ATOM 218 CA ARG A 16 5.733 2.352 -0.635 1.00 51.20 C ATOM 219 C ARG A 16 5.388 0.870 -0.517 1.00 50.50 C ATOM 220 O ARG A 16 6.262 0.010 -0.622 1.00 74.45 O ATOM 221 CB ARG A 16 6.197 2.667 -2.058 1.00 70.13 C ATOM 222 CG ARG A 16 6.803 4.053 -2.209 1.00 33.21 C ATOM 223 CD ARG A 16 6.350 4.722 -3.497 1.00 71.34 C ATOM 224 NE ARG A 16 7.279 4.476 -4.597 1.00 50.52 N ATOM 225 CZ ARG A 16 8.504 4.986 -4.652 1.00 4.35 C ATOM 226 NH1 ARG A 16 8.946 5.765 -3.673 1.00 61.24 N ATOM 227 NH2 ARG A 16 9.291 4.717 -5.686 1.00 10.13 N ATOM 0 H ARG A 16 7.554 2.081 0.368 1.00 0.03 H new ATOM 0 HA ARG A 16 4.838 2.934 -0.415 1.00 51.20 H new ATOM 0 HB2 ARG A 16 6.932 1.923 -2.364 1.00 70.13 H new ATOM 0 HB3 ARG A 16 5.349 2.575 -2.736 1.00 70.13 H new ATOM 0 HG2 ARG A 16 6.518 4.671 -1.357 1.00 33.21 H new ATOM 0 HG3 ARG A 16 7.890 3.979 -2.199 1.00 33.21 H new ATOM 0 HD2 ARG A 16 5.361 4.353 -3.769 1.00 71.34 H new ATOM 0 HD3 ARG A 16 6.257 5.796 -3.334 1.00 71.34 H new ATOM 0 HE ARG A 16 6.970 3.880 -5.365 1.00 50.52 H new ATOM 0 HH11 ARG A 16 8.345 5.973 -2.876 1.00 61.24 H new ATOM 0 HH12 ARG A 16 9.887 6.156 -3.717 1.00 61.24 H new ATOM 0 HH21 ARG A 16 8.955 4.118 -6.440 1.00 10.13 H new ATOM 0 HH22 ARG A 16 10.232 5.110 -5.727 1.00 10.13 H new ATOM 241 N TRP A 17 4.111 0.582 -0.297 1.00 75.33 N ATOM 242 CA TRP A 17 3.650 -0.796 -0.164 1.00 65.03 C ATOM 243 C TRP A 17 2.228 -0.948 -0.691 1.00 33.12 C ATOM 244 O TRP A 17 1.360 -0.121 -0.411 1.00 41.42 O ATOM 245 CB TRP A 17 3.716 -1.238 1.298 1.00 23.44 C ATOM 246 CG TRP A 17 5.115 -1.457 1.790 1.00 30.34 C ATOM 247 CD1 TRP A 17 5.886 -0.573 2.489 1.00 12.24 C ATOM 248 CD2 TRP A 17 5.909 -2.636 1.618 1.00 22.15 C ATOM 249 NE1 TRP A 17 7.111 -1.131 2.762 1.00 4.14 N ATOM 250 CE2 TRP A 17 7.151 -2.396 2.240 1.00 75.33 C ATOM 251 CE3 TRP A 17 5.692 -3.871 1.002 1.00 30.43 C ATOM 252 CZ2 TRP A 17 8.168 -3.346 2.260 1.00 63.22 C ATOM 253 CZ3 TRP A 17 6.703 -4.813 1.023 1.00 42.01 C ATOM 254 CH2 TRP A 17 7.928 -4.547 1.649 1.00 44.13 C ATOM 0 H TRP A 17 3.376 1.283 -0.207 1.00 75.33 H new ATOM 0 HA TRP A 17 4.307 -1.432 -0.758 1.00 65.03 H new ATOM 0 HB2 TRP A 17 3.234 -0.484 1.920 1.00 23.44 H new ATOM 0 HB3 TRP A 17 3.148 -2.161 1.417 1.00 23.44 H new ATOM 0 HD1 TRP A 17 5.578 0.419 2.784 1.00 12.24 H new ATOM 0 HE1 TRP A 17 7.869 -0.676 3.271 1.00 4.14 H new ATOM 0 HE3 TRP A 17 4.751 -4.086 0.518 1.00 30.43 H new ATOM 0 HZ2 TRP A 17 9.113 -3.143 2.741 1.00 63.22 H new ATOM 0 HZ3 TRP A 17 6.546 -5.771 0.549 1.00 42.01 H new ATOM 0 HH2 TRP A 17 8.698 -5.304 1.649 1.00 44.13 H new ATOM 265 N VAL A 18 1.994 -2.011 -1.454 1.00 41.23 N ATOM 266 CA VAL A 18 0.675 -2.272 -2.019 1.00 3.43 C ATOM 267 C VAL A 18 0.024 -3.481 -1.357 1.00 71.05 C ATOM 268 O VAL A 18 0.704 -4.322 -0.769 1.00 40.20 O ATOM 269 CB VAL A 18 0.752 -2.511 -3.538 1.00 44.34 C ATOM 270 CG1 VAL A 18 1.288 -1.276 -4.247 1.00 3.12 C ATOM 271 CG2 VAL A 18 1.615 -3.726 -3.843 1.00 34.51 C ATOM 0 H VAL A 18 2.701 -2.706 -1.695 1.00 41.23 H new ATOM 0 HA VAL A 18 0.068 -1.387 -1.829 1.00 3.43 H new ATOM 0 HB VAL A 18 -0.254 -2.706 -3.909 1.00 44.34 H new ATOM 0 HG11 VAL A 18 1.335 -1.464 -5.320 1.00 3.12 H new ATOM 0 HG12 VAL A 18 0.627 -0.431 -4.056 1.00 3.12 H new ATOM 0 HG13 VAL A 18 2.286 -1.047 -3.874 1.00 3.12 H new ATOM 0 HG21 VAL A 18 1.658 -3.880 -4.921 1.00 34.51 H new ATOM 0 HG22 VAL A 18 2.622 -3.563 -3.459 1.00 34.51 H new ATOM 0 HG23 VAL A 18 1.184 -4.607 -3.368 1.00 34.51 H new ATOM 281 N PHE A 19 -1.299 -3.563 -1.459 1.00 3.14 N ATOM 282 CA PHE A 19 -2.043 -4.670 -0.870 1.00 13.22 C ATOM 283 C PHE A 19 -3.062 -5.228 -1.860 1.00 4.12 C ATOM 284 O PHE A 19 -3.651 -4.487 -2.647 1.00 44.34 O ATOM 285 CB PHE A 19 -2.753 -4.213 0.406 1.00 33.14 C ATOM 286 CG PHE A 19 -3.533 -2.941 0.236 1.00 41.40 C ATOM 287 CD1 PHE A 19 -2.899 -1.710 0.301 1.00 71.34 C ATOM 288 CD2 PHE A 19 -4.900 -2.975 0.012 1.00 42.13 C ATOM 289 CE1 PHE A 19 -3.613 -0.537 0.144 1.00 75.41 C ATOM 290 CE2 PHE A 19 -5.619 -1.806 -0.146 1.00 53.52 C ATOM 291 CZ PHE A 19 -4.976 -0.585 -0.079 1.00 24.32 C ATOM 0 H PHE A 19 -1.877 -2.876 -1.944 1.00 3.14 H new ATOM 0 HA PHE A 19 -1.334 -5.460 -0.621 1.00 13.22 H new ATOM 0 HB2 PHE A 19 -3.428 -5.002 0.739 1.00 33.14 H new ATOM 0 HB3 PHE A 19 -2.013 -4.073 1.194 1.00 33.14 H new ATOM 0 HD1 PHE A 19 -1.834 -1.667 0.476 1.00 71.34 H new ATOM 0 HD2 PHE A 19 -5.409 -3.926 -0.040 1.00 42.13 H new ATOM 0 HE1 PHE A 19 -3.107 0.416 0.196 1.00 75.41 H new ATOM 0 HE2 PHE A 19 -6.684 -1.847 -0.322 1.00 53.52 H new ATOM 0 HZ PHE A 19 -5.537 0.330 -0.201 1.00 24.32 H new ATOM 301 N THR A 20 -3.264 -6.541 -1.814 1.00 61.15 N ATOM 302 CA THR A 20 -4.209 -7.200 -2.707 1.00 63.13 C ATOM 303 C THR A 20 -4.834 -8.421 -2.042 1.00 63.12 C ATOM 304 O THR A 20 -4.128 -9.294 -1.534 1.00 40.52 O ATOM 305 CB THR A 20 -3.531 -7.635 -4.020 1.00 61.42 C ATOM 306 OG1 THR A 20 -2.396 -8.461 -3.735 1.00 41.34 O ATOM 307 CG2 THR A 20 -3.093 -6.425 -4.831 1.00 13.34 C ATOM 0 H THR A 20 -2.786 -7.169 -1.168 1.00 61.15 H new ATOM 0 HA THR A 20 -4.990 -6.474 -2.933 1.00 63.13 H new ATOM 0 HB THR A 20 -4.255 -8.202 -4.606 1.00 61.42 H new ATOM 0 HG1 THR A 20 -2.563 -8.975 -2.918 1.00 41.34 H new ATOM 0 HG21 THR A 20 -2.617 -6.758 -5.753 1.00 13.34 H new ATOM 0 HG22 THR A 20 -3.963 -5.814 -5.072 1.00 13.34 H new ATOM 0 HG23 THR A 20 -2.385 -5.835 -4.250 1.00 13.34 H new ATOM 315 N LEU A 21 -6.161 -8.478 -2.049 1.00 21.11 N ATOM 316 CA LEU A 21 -6.882 -9.594 -1.446 1.00 62.04 C ATOM 317 C LEU A 21 -8.089 -9.983 -2.293 1.00 71.25 C ATOM 318 O LEU A 21 -8.821 -9.123 -2.781 1.00 1.10 O ATOM 319 CB LEU A 21 -7.334 -9.230 -0.031 1.00 25.31 C ATOM 320 CG LEU A 21 -7.962 -10.361 0.784 1.00 23.15 C ATOM 321 CD1 LEU A 21 -6.990 -10.860 1.842 1.00 3.15 C ATOM 322 CD2 LEU A 21 -9.261 -9.897 1.427 1.00 24.13 C ATOM 0 H LEU A 21 -6.760 -7.765 -2.465 1.00 21.11 H new ATOM 0 HA LEU A 21 -6.206 -10.447 -1.396 1.00 62.04 H new ATOM 0 HB2 LEU A 21 -6.473 -8.849 0.517 1.00 25.31 H new ATOM 0 HB3 LEU A 21 -8.054 -8.415 -0.100 1.00 25.31 H new ATOM 0 HG LEU A 21 -8.188 -11.187 0.110 1.00 23.15 H new ATOM 0 HD11 LEU A 21 -7.454 -11.665 2.412 1.00 3.15 H new ATOM 0 HD12 LEU A 21 -6.086 -11.232 1.359 1.00 3.15 H new ATOM 0 HD13 LEU A 21 -6.732 -10.041 2.514 1.00 3.15 H new ATOM 0 HD21 LEU A 21 -9.694 -10.715 2.003 1.00 24.13 H new ATOM 0 HD22 LEU A 21 -9.059 -9.054 2.088 1.00 24.13 H new ATOM 0 HD23 LEU A 21 -9.962 -9.589 0.651 1.00 24.13 H new ATOM 334 N ASN A 22 -8.292 -11.286 -2.462 1.00 42.14 N ATOM 335 CA ASN A 22 -9.412 -11.789 -3.249 1.00 62.42 C ATOM 336 C ASN A 22 -10.664 -11.925 -2.388 1.00 70.02 C ATOM 337 O ASN A 22 -10.609 -12.438 -1.272 1.00 31.43 O ATOM 338 CB ASN A 22 -9.058 -13.142 -3.871 1.00 40.21 C ATOM 339 CG ASN A 22 -8.879 -14.228 -2.829 1.00 24.44 C ATOM 340 OD1 ASN A 22 -8.357 -13.981 -1.741 1.00 52.31 O ATOM 341 ND2 ASN A 22 -9.311 -15.440 -3.157 1.00 21.31 N ATOM 0 H ASN A 22 -7.696 -12.012 -2.065 1.00 42.14 H new ATOM 0 HA ASN A 22 -9.616 -11.072 -4.045 1.00 62.42 H new ATOM 0 HB2 ASN A 22 -9.844 -13.436 -4.567 1.00 40.21 H new ATOM 0 HB3 ASN A 22 -8.140 -13.043 -4.450 1.00 40.21 H new ATOM 0 HD21 ASN A 22 -9.216 -16.211 -2.496 1.00 21.31 H new ATOM 0 HD22 ASN A 22 -9.737 -15.600 -4.070 1.00 21.31 H new ATOM 348 N ASN A 23 -11.792 -11.461 -2.917 1.00 21.13 N ATOM 349 CA ASN A 23 -13.058 -11.531 -2.197 1.00 14.52 C ATOM 350 C ASN A 23 -12.921 -10.940 -0.797 1.00 33.44 C ATOM 351 O ASN A 23 -13.008 -11.642 0.211 1.00 33.41 O ATOM 352 CB ASN A 23 -13.539 -12.980 -2.107 1.00 22.44 C ATOM 353 CG ASN A 23 -14.878 -13.103 -1.406 1.00 72.11 C ATOM 354 OD1 ASN A 23 -15.059 -13.951 -0.532 1.00 5.44 O ATOM 355 ND2 ASN A 23 -15.826 -12.255 -1.789 1.00 3.03 N ATOM 0 H ASN A 23 -11.855 -11.033 -3.841 1.00 21.13 H new ATOM 0 HA ASN A 23 -13.794 -10.946 -2.749 1.00 14.52 H new ATOM 0 HB2 ASN A 23 -13.618 -13.397 -3.111 1.00 22.44 H new ATOM 0 HB3 ASN A 23 -12.797 -13.574 -1.573 1.00 22.44 H new ATOM 0 HD21 ASN A 23 -16.748 -12.291 -1.354 1.00 3.03 H new ATOM 0 HD22 ASN A 23 -15.632 -11.568 -2.518 1.00 3.03 H new ATOM 362 N PRO A 24 -12.702 -9.619 -0.730 1.00 52.24 N ATOM 363 CA PRO A 24 -12.550 -8.904 0.541 1.00 64.44 C ATOM 364 C PRO A 24 -13.857 -8.826 1.322 1.00 4.00 C ATOM 365 O PRO A 24 -14.935 -8.717 0.738 1.00 64.02 O ATOM 366 CB PRO A 24 -12.099 -7.506 0.110 1.00 74.33 C ATOM 367 CG PRO A 24 -12.626 -7.349 -1.275 1.00 43.21 C ATOM 368 CD PRO A 24 -12.587 -8.720 -1.891 1.00 51.01 C ATOM 0 HA PRO A 24 -11.850 -9.405 1.209 1.00 64.44 H new ATOM 0 HB2 PRO A 24 -12.497 -6.739 0.774 1.00 74.33 H new ATOM 0 HB3 PRO A 24 -11.013 -7.416 0.133 1.00 74.33 H new ATOM 0 HG2 PRO A 24 -13.642 -6.955 -1.263 1.00 43.21 H new ATOM 0 HG3 PRO A 24 -12.019 -6.647 -1.846 1.00 43.21 H new ATOM 0 HD2 PRO A 24 -13.405 -8.867 -2.596 1.00 51.01 H new ATOM 0 HD3 PRO A 24 -11.660 -8.888 -2.439 1.00 51.01 H new ATOM 376 N SER A 25 -13.753 -8.882 2.646 1.00 15.40 N ATOM 377 CA SER A 25 -14.928 -8.820 3.508 1.00 73.24 C ATOM 378 C SER A 25 -15.223 -7.382 3.923 1.00 5.03 C ATOM 379 O SER A 25 -14.409 -6.484 3.708 1.00 72.25 O ATOM 380 CB SER A 25 -14.723 -9.690 4.749 1.00 5.02 C ATOM 381 OG SER A 25 -15.535 -10.850 4.700 1.00 63.15 O ATOM 0 H SER A 25 -12.868 -8.970 3.145 1.00 15.40 H new ATOM 0 HA SER A 25 -15.781 -9.199 2.945 1.00 73.24 H new ATOM 0 HB2 SER A 25 -13.675 -9.979 4.825 1.00 5.02 H new ATOM 0 HB3 SER A 25 -14.960 -9.114 5.644 1.00 5.02 H new ATOM 0 HG SER A 25 -15.384 -11.390 5.504 1.00 63.15 H new ATOM 387 N GLU A 26 -16.392 -7.173 4.521 1.00 45.43 N ATOM 388 CA GLU A 26 -16.794 -5.844 4.966 1.00 42.40 C ATOM 389 C GLU A 26 -15.937 -5.381 6.140 1.00 4.35 C ATOM 390 O GLU A 26 -15.705 -4.185 6.321 1.00 70.05 O ATOM 391 CB GLU A 26 -18.271 -5.841 5.366 1.00 3.10 C ATOM 392 CG GLU A 26 -19.158 -5.056 4.414 1.00 23.01 C ATOM 393 CD GLU A 26 -20.344 -4.421 5.112 1.00 15.04 C ATOM 394 OE1 GLU A 26 -20.191 -3.303 5.647 1.00 25.21 O ATOM 395 OE2 GLU A 26 -21.428 -5.043 5.123 1.00 3.45 O ATOM 0 H GLU A 26 -17.076 -7.906 4.708 1.00 45.43 H new ATOM 0 HA GLU A 26 -16.648 -5.152 4.137 1.00 42.40 H new ATOM 0 HB2 GLU A 26 -18.627 -6.870 5.416 1.00 3.10 H new ATOM 0 HB3 GLU A 26 -18.367 -5.422 6.368 1.00 3.10 H new ATOM 0 HG2 GLU A 26 -18.567 -4.278 3.930 1.00 23.01 H new ATOM 0 HG3 GLU A 26 -19.517 -5.719 3.627 1.00 23.01 H new ATOM 402 N ASP A 27 -15.469 -6.336 6.937 1.00 53.13 N ATOM 403 CA ASP A 27 -14.637 -6.028 8.094 1.00 53.50 C ATOM 404 C ASP A 27 -13.216 -5.680 7.664 1.00 44.31 C ATOM 405 O ASP A 27 -12.630 -4.713 8.149 1.00 3.34 O ATOM 406 CB ASP A 27 -14.615 -7.211 9.063 1.00 52.22 C ATOM 407 CG ASP A 27 -14.842 -6.786 10.500 1.00 34.34 C ATOM 408 OD1 ASP A 27 -13.913 -6.208 11.102 1.00 55.25 O ATOM 409 OD2 ASP A 27 -15.949 -7.033 11.025 1.00 62.54 O ATOM 0 H ASP A 27 -15.652 -7.330 6.802 1.00 53.13 H new ATOM 0 HA ASP A 27 -15.066 -5.163 8.599 1.00 53.50 H new ATOM 0 HB2 ASP A 27 -15.383 -7.928 8.774 1.00 52.22 H new ATOM 0 HB3 ASP A 27 -13.656 -7.723 8.986 1.00 52.22 H new ATOM 414 N GLU A 28 -12.667 -6.476 6.751 1.00 12.32 N ATOM 415 CA GLU A 28 -11.313 -6.252 6.258 1.00 33.10 C ATOM 416 C GLU A 28 -11.205 -4.900 5.559 1.00 74.14 C ATOM 417 O GLU A 28 -10.295 -4.118 5.833 1.00 62.40 O ATOM 418 CB GLU A 28 -10.906 -7.370 5.296 1.00 21.21 C ATOM 419 CG GLU A 28 -9.603 -8.054 5.675 1.00 71.22 C ATOM 420 CD GLU A 28 -8.418 -7.108 5.647 1.00 32.43 C ATOM 421 OE1 GLU A 28 -8.176 -6.430 6.667 1.00 13.40 O ATOM 422 OE2 GLU A 28 -7.732 -7.048 4.605 1.00 15.32 O ATOM 0 H GLU A 28 -13.139 -7.281 6.338 1.00 12.32 H new ATOM 0 HA GLU A 28 -10.637 -6.254 7.113 1.00 33.10 H new ATOM 0 HB2 GLU A 28 -11.701 -8.115 5.261 1.00 21.21 H new ATOM 0 HB3 GLU A 28 -10.811 -6.957 4.292 1.00 21.21 H new ATOM 0 HG2 GLU A 28 -9.698 -8.482 6.673 1.00 71.22 H new ATOM 0 HG3 GLU A 28 -9.419 -8.882 4.990 1.00 71.22 H new ATOM 429 N ARG A 29 -12.141 -4.633 4.653 1.00 0.54 N ATOM 430 CA ARG A 29 -12.151 -3.377 3.913 1.00 43.30 C ATOM 431 C ARG A 29 -12.376 -2.194 4.851 1.00 65.31 C ATOM 432 O ARG A 29 -11.750 -1.144 4.705 1.00 52.23 O ATOM 433 CB ARG A 29 -13.238 -3.402 2.838 1.00 74.44 C ATOM 434 CG ARG A 29 -12.957 -4.382 1.710 1.00 10.00 C ATOM 435 CD ARG A 29 -14.241 -4.838 1.035 1.00 50.13 C ATOM 436 NE ARG A 29 -14.991 -3.718 0.472 1.00 62.12 N ATOM 437 CZ ARG A 29 -16.217 -3.831 -0.026 1.00 13.14 C ATOM 438 NH1 ARG A 29 -16.829 -5.007 -0.029 1.00 72.12 N ATOM 439 NH2 ARG A 29 -16.835 -2.766 -0.520 1.00 44.52 N ATOM 0 H ARG A 29 -12.901 -5.270 4.414 1.00 0.54 H new ATOM 0 HA ARG A 29 -11.179 -3.260 3.435 1.00 43.30 H new ATOM 0 HB2 ARG A 29 -14.190 -3.659 3.302 1.00 74.44 H new ATOM 0 HB3 ARG A 29 -13.347 -2.401 2.420 1.00 74.44 H new ATOM 0 HG2 ARG A 29 -12.304 -3.913 0.974 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -12.424 -5.248 2.103 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -14.002 -5.549 0.244 1.00 50.13 H new ATOM 0 HD3 ARG A 29 -14.864 -5.364 1.758 1.00 50.13 H new ATOM 0 HE ARG A 29 -14.549 -2.799 0.461 1.00 62.12 H new ATOM 0 HH11 ARG A 29 -16.358 -5.828 0.352 1.00 72.12 H new ATOM 0 HH12 ARG A 29 -17.771 -5.091 -0.412 1.00 72.12 H new ATOM 0 HH21 ARG A 29 -16.369 -1.859 -0.518 1.00 44.52 H new ATOM 0 HH22 ARG A 29 -17.777 -2.854 -0.902 1.00 44.52 H new ATOM 453 N LYS A 30 -13.273 -2.372 5.814 1.00 30.44 N ATOM 454 CA LYS A 30 -13.581 -1.322 6.777 1.00 12.14 C ATOM 455 C LYS A 30 -12.344 -0.944 7.585 1.00 24.21 C ATOM 456 O LYS A 30 -12.105 0.232 7.862 1.00 63.45 O ATOM 457 CB LYS A 30 -14.699 -1.777 7.719 1.00 5.31 C ATOM 458 CG LYS A 30 -16.092 -1.452 7.210 1.00 34.42 C ATOM 459 CD LYS A 30 -17.165 -2.098 8.072 1.00 42.12 C ATOM 460 CE LYS A 30 -18.221 -1.089 8.496 1.00 51.02 C ATOM 461 NZ LYS A 30 -17.836 -0.374 9.744 1.00 45.43 N ATOM 0 H LYS A 30 -13.800 -3.235 5.949 1.00 30.44 H new ATOM 0 HA LYS A 30 -13.914 -0.444 6.224 1.00 12.14 H new ATOM 0 HB2 LYS A 30 -14.619 -2.853 7.871 1.00 5.31 H new ATOM 0 HB3 LYS A 30 -14.557 -1.306 8.692 1.00 5.31 H new ATOM 0 HG2 LYS A 30 -16.234 -0.371 7.200 1.00 34.42 H new ATOM 0 HG3 LYS A 30 -16.194 -1.797 6.181 1.00 34.42 H new ATOM 0 HD2 LYS A 30 -17.637 -2.910 7.519 1.00 42.12 H new ATOM 0 HD3 LYS A 30 -16.706 -2.539 8.957 1.00 42.12 H new ATOM 0 HE2 LYS A 30 -18.374 -0.365 7.695 1.00 51.02 H new ATOM 0 HE3 LYS A 30 -19.171 -1.601 8.649 1.00 51.02 H new ATOM 0 HZ1 LYS A 30 -18.582 0.305 9.999 1.00 45.43 H new ATOM 0 HZ2 LYS A 30 -17.715 -1.062 10.515 1.00 45.43 H new ATOM 0 HZ3 LYS A 30 -16.942 0.135 9.591 1.00 45.43 H new ATOM 475 N LYS A 31 -11.558 -1.948 7.960 1.00 32.20 N ATOM 476 CA LYS A 31 -10.343 -1.722 8.734 1.00 71.14 C ATOM 477 C LYS A 31 -9.348 -0.874 7.948 1.00 11.32 C ATOM 478 O LYS A 31 -8.856 0.141 8.444 1.00 75.33 O ATOM 479 CB LYS A 31 -9.701 -3.058 9.115 1.00 10.34 C ATOM 480 CG LYS A 31 -8.311 -2.916 9.711 1.00 61.12 C ATOM 481 CD LYS A 31 -7.748 -4.261 10.139 1.00 12.14 C ATOM 482 CE LYS A 31 -6.278 -4.393 9.772 1.00 52.30 C ATOM 483 NZ LYS A 31 -5.405 -3.608 10.688 1.00 40.42 N ATOM 0 H LYS A 31 -11.741 -2.927 7.740 1.00 32.20 H new ATOM 0 HA LYS A 31 -10.615 -1.184 9.642 1.00 71.14 H new ATOM 0 HB2 LYS A 31 -10.344 -3.569 9.831 1.00 10.34 H new ATOM 0 HB3 LYS A 31 -9.645 -3.690 8.229 1.00 10.34 H new ATOM 0 HG2 LYS A 31 -7.645 -2.458 8.979 1.00 61.12 H new ATOM 0 HG3 LYS A 31 -8.349 -2.246 10.570 1.00 61.12 H new ATOM 0 HD2 LYS A 31 -7.867 -4.380 11.216 1.00 12.14 H new ATOM 0 HD3 LYS A 31 -8.316 -5.062 9.665 1.00 12.14 H new ATOM 0 HE2 LYS A 31 -5.988 -5.443 9.806 1.00 52.30 H new ATOM 0 HE3 LYS A 31 -6.128 -4.053 8.747 1.00 52.30 H new ATOM 0 HZ1 LYS A 31 -4.525 -3.353 10.195 1.00 40.42 H new ATOM 0 HZ2 LYS A 31 -5.900 -2.742 10.983 1.00 40.42 H new ATOM 0 HZ3 LYS A 31 -5.179 -4.180 11.527 1.00 40.42 H new ATOM 497 N ILE A 32 -9.057 -1.295 6.722 1.00 52.41 N ATOM 498 CA ILE A 32 -8.123 -0.571 5.868 1.00 30.51 C ATOM 499 C ILE A 32 -8.663 0.809 5.508 1.00 23.50 C ATOM 500 O ILE A 32 -7.918 1.788 5.474 1.00 2.13 O ATOM 501 CB ILE A 32 -7.827 -1.349 4.572 1.00 54.11 C ATOM 502 CG1 ILE A 32 -6.834 -2.480 4.845 1.00 31.22 C ATOM 503 CG2 ILE A 32 -7.289 -0.410 3.503 1.00 64.54 C ATOM 504 CD1 ILE A 32 -6.595 -3.376 3.650 1.00 3.01 C ATOM 0 H ILE A 32 -9.454 -2.133 6.298 1.00 52.41 H new ATOM 0 HA ILE A 32 -7.198 -0.460 6.435 1.00 30.51 H new ATOM 0 HB ILE A 32 -8.756 -1.788 4.209 1.00 54.11 H new ATOM 0 HG12 ILE A 32 -5.884 -2.050 5.162 1.00 31.22 H new ATOM 0 HG13 ILE A 32 -7.203 -3.084 5.674 1.00 31.22 H new ATOM 0 HG21 ILE A 32 -7.084 -0.974 2.593 1.00 64.54 H new ATOM 0 HG22 ILE A 32 -8.028 0.363 3.292 1.00 64.54 H new ATOM 0 HG23 ILE A 32 -6.369 0.055 3.857 1.00 64.54 H new ATOM 0 HD11 ILE A 32 -5.881 -4.155 3.916 1.00 3.01 H new ATOM 0 HD12 ILE A 32 -7.536 -3.835 3.345 1.00 3.01 H new ATOM 0 HD13 ILE A 32 -6.196 -2.785 2.826 1.00 3.01 H new ATOM 516 N ARG A 33 -9.963 0.878 5.241 1.00 2.33 N ATOM 517 CA ARG A 33 -10.603 2.139 4.884 1.00 21.44 C ATOM 518 C ARG A 33 -10.707 3.058 6.098 1.00 52.24 C ATOM 519 O ARG A 33 -10.851 4.273 5.958 1.00 64.11 O ATOM 520 CB ARG A 33 -11.995 1.882 4.305 1.00 71.24 C ATOM 521 CG ARG A 33 -11.973 1.350 2.881 1.00 53.53 C ATOM 522 CD ARG A 33 -13.282 1.634 2.160 1.00 33.54 C ATOM 523 NE ARG A 33 -14.060 0.417 1.940 1.00 42.11 N ATOM 524 CZ ARG A 33 -14.851 -0.126 2.858 1.00 23.25 C ATOM 525 NH1 ARG A 33 -14.968 0.436 4.053 1.00 13.33 N ATOM 526 NH2 ARG A 33 -15.526 -1.234 2.582 1.00 34.45 N ATOM 0 H ARG A 33 -10.593 0.077 5.265 1.00 2.33 H new ATOM 0 HA ARG A 33 -9.988 2.630 4.130 1.00 21.44 H new ATOM 0 HB2 ARG A 33 -12.519 1.169 4.942 1.00 71.24 H new ATOM 0 HB3 ARG A 33 -12.566 2.810 4.329 1.00 71.24 H new ATOM 0 HG2 ARG A 33 -11.148 1.806 2.334 1.00 53.53 H new ATOM 0 HG3 ARG A 33 -11.790 0.276 2.896 1.00 53.53 H new ATOM 0 HD2 ARG A 33 -13.872 2.341 2.744 1.00 33.54 H new ATOM 0 HD3 ARG A 33 -13.073 2.109 1.201 1.00 33.54 H new ATOM 0 HE ARG A 33 -13.992 -0.041 1.031 1.00 42.11 H new ATOM 0 HH11 ARG A 33 -14.450 1.288 4.269 1.00 13.33 H new ATOM 0 HH12 ARG A 33 -15.576 0.017 4.756 1.00 13.33 H new ATOM 0 HH21 ARG A 33 -15.438 -1.670 1.664 1.00 34.45 H new ATOM 0 HH22 ARG A 33 -16.133 -1.650 3.288 1.00 34.45 H new ATOM 540 N ASP A 34 -10.635 2.470 7.287 1.00 42.43 N ATOM 541 CA ASP A 34 -10.720 3.236 8.525 1.00 54.43 C ATOM 542 C ASP A 34 -9.331 3.508 9.093 1.00 20.20 C ATOM 543 O ASP A 34 -9.192 4.000 10.213 1.00 11.54 O ATOM 544 CB ASP A 34 -11.569 2.489 9.554 1.00 31.24 C ATOM 545 CG ASP A 34 -11.877 3.334 10.774 1.00 13.43 C ATOM 546 OD1 ASP A 34 -12.690 4.276 10.654 1.00 25.33 O ATOM 547 OD2 ASP A 34 -11.307 3.054 11.849 1.00 11.42 O ATOM 0 H ASP A 34 -10.518 1.465 7.420 1.00 42.43 H new ATOM 0 HA ASP A 34 -11.193 4.192 8.300 1.00 54.43 H new ATOM 0 HB2 ASP A 34 -12.503 2.173 9.089 1.00 31.24 H new ATOM 0 HB3 ASP A 34 -11.046 1.585 9.865 1.00 31.24 H new ATOM 552 N LEU A 35 -8.305 3.182 8.314 1.00 11.43 N ATOM 553 CA LEU A 35 -6.925 3.390 8.740 1.00 13.01 C ATOM 554 C LEU A 35 -6.601 4.878 8.831 1.00 75.21 C ATOM 555 O LEU A 35 -7.279 5.723 8.245 1.00 62.51 O ATOM 556 CB LEU A 35 -5.963 2.705 7.769 1.00 45.25 C ATOM 557 CG LEU A 35 -5.715 1.215 8.007 1.00 55.12 C ATOM 558 CD1 LEU A 35 -4.887 0.624 6.877 1.00 75.15 C ATOM 559 CD2 LEU A 35 -5.027 0.996 9.346 1.00 44.20 C ATOM 0 H LEU A 35 -8.402 2.773 7.385 1.00 11.43 H new ATOM 0 HA LEU A 35 -6.806 2.951 9.730 1.00 13.01 H new ATOM 0 HB2 LEU A 35 -6.349 2.831 6.757 1.00 45.25 H new ATOM 0 HB3 LEU A 35 -5.005 3.223 7.812 1.00 45.25 H new ATOM 0 HG LEU A 35 -6.678 0.705 8.029 1.00 55.12 H new ATOM 0 HD11 LEU A 35 -4.721 -0.437 7.064 1.00 75.15 H new ATOM 0 HD12 LEU A 35 -5.419 0.747 5.933 1.00 75.15 H new ATOM 0 HD13 LEU A 35 -3.927 1.137 6.822 1.00 75.15 H new ATOM 0 HD21 LEU A 35 -4.859 -0.070 9.498 1.00 44.20 H new ATOM 0 HD22 LEU A 35 -4.071 1.519 9.354 1.00 44.20 H new ATOM 0 HD23 LEU A 35 -5.658 1.382 10.147 1.00 44.20 H new ATOM 571 N PRO A 36 -5.540 5.208 9.581 1.00 22.23 N ATOM 572 CA PRO A 36 -5.100 6.594 9.764 1.00 10.22 C ATOM 573 C PRO A 36 -4.507 7.187 8.491 1.00 55.35 C ATOM 574 O PRO A 36 -3.494 6.706 7.984 1.00 25.01 O ATOM 575 CB PRO A 36 -4.029 6.486 10.852 1.00 22.23 C ATOM 576 CG PRO A 36 -3.516 5.091 10.741 1.00 0.55 C ATOM 577 CD PRO A 36 -4.687 4.253 10.308 1.00 24.14 C ATOM 0 HA PRO A 36 -5.928 7.253 10.026 1.00 10.22 H new ATOM 0 HB2 PRO A 36 -3.233 7.214 10.697 1.00 22.23 H new ATOM 0 HB3 PRO A 36 -4.448 6.676 11.840 1.00 22.23 H new ATOM 0 HG2 PRO A 36 -2.704 5.030 10.017 1.00 0.55 H new ATOM 0 HG3 PRO A 36 -3.119 4.744 11.695 1.00 0.55 H new ATOM 0 HD2 PRO A 36 -4.375 3.426 9.670 1.00 24.14 H new ATOM 0 HD3 PRO A 36 -5.207 3.818 11.161 1.00 24.14 H new ATOM 585 N ILE A 37 -5.146 8.234 7.978 1.00 3.03 N ATOM 586 CA ILE A 37 -4.680 8.893 6.764 1.00 1.15 C ATOM 587 C ILE A 37 -3.370 9.634 7.009 1.00 24.42 C ATOM 588 O ILE A 37 -2.526 9.734 6.119 1.00 63.13 O ATOM 589 CB ILE A 37 -5.726 9.888 6.227 1.00 61.50 C ATOM 590 CG1 ILE A 37 -6.175 10.839 7.338 1.00 42.22 C ATOM 591 CG2 ILE A 37 -6.918 9.141 5.648 1.00 72.22 C ATOM 592 CD1 ILE A 37 -7.092 11.941 6.855 1.00 11.15 C ATOM 0 H ILE A 37 -5.987 8.644 8.384 1.00 3.03 H new ATOM 0 HA ILE A 37 -4.519 8.111 6.022 1.00 1.15 H new ATOM 0 HB ILE A 37 -5.270 10.478 5.432 1.00 61.50 H new ATOM 0 HG12 ILE A 37 -6.685 10.266 8.112 1.00 42.22 H new ATOM 0 HG13 ILE A 37 -5.295 11.286 7.800 1.00 42.22 H new ATOM 0 HG21 ILE A 37 -7.649 9.857 5.272 1.00 72.22 H new ATOM 0 HG22 ILE A 37 -6.584 8.501 4.831 1.00 72.22 H new ATOM 0 HG23 ILE A 37 -7.376 8.529 6.425 1.00 72.22 H new ATOM 0 HD11 ILE A 37 -7.371 12.577 7.695 1.00 11.15 H new ATOM 0 HD12 ILE A 37 -6.578 12.539 6.102 1.00 11.15 H new ATOM 0 HD13 ILE A 37 -7.990 11.502 6.419 1.00 11.15 H new ATOM 604 N SER A 38 -3.205 10.149 8.223 1.00 15.42 N ATOM 605 CA SER A 38 -1.998 10.883 8.585 1.00 33.34 C ATOM 606 C SER A 38 -0.794 9.948 8.653 1.00 74.11 C ATOM 607 O SER A 38 0.353 10.386 8.559 1.00 51.11 O ATOM 608 CB SER A 38 -2.188 11.587 9.930 1.00 21.55 C ATOM 609 OG SER A 38 -3.520 12.046 10.082 1.00 3.42 O ATOM 0 H SER A 38 -3.892 10.072 8.973 1.00 15.42 H new ATOM 0 HA SER A 38 -1.812 11.631 7.814 1.00 33.34 H new ATOM 0 HB2 SER A 38 -1.942 10.901 10.741 1.00 21.55 H new ATOM 0 HB3 SER A 38 -1.499 12.429 10.004 1.00 21.55 H new ATOM 0 HG SER A 38 -3.616 12.491 10.950 1.00 3.42 H new ATOM 615 N LEU A 39 -1.064 8.658 8.817 1.00 71.54 N ATOM 616 CA LEU A 39 -0.004 7.659 8.897 1.00 30.50 C ATOM 617 C LEU A 39 0.636 7.432 7.531 1.00 54.21 C ATOM 618 O LEU A 39 1.815 7.091 7.435 1.00 52.33 O ATOM 619 CB LEU A 39 -0.559 6.340 9.438 1.00 71.42 C ATOM 620 CG LEU A 39 0.372 5.546 10.355 1.00 35.32 C ATOM 621 CD1 LEU A 39 -0.420 4.871 11.465 1.00 54.53 C ATOM 622 CD2 LEU A 39 1.157 4.516 9.556 1.00 33.32 C ATOM 0 H LEU A 39 -2.008 8.279 8.897 1.00 71.54 H new ATOM 0 HA LEU A 39 0.761 8.031 9.578 1.00 30.50 H new ATOM 0 HB2 LEU A 39 -1.479 6.552 9.983 1.00 71.42 H new ATOM 0 HB3 LEU A 39 -0.829 5.708 8.592 1.00 71.42 H new ATOM 0 HG LEU A 39 1.079 6.239 10.811 1.00 35.32 H new ATOM 0 HD11 LEU A 39 0.259 4.311 12.108 1.00 54.53 H new ATOM 0 HD12 LEU A 39 -0.937 5.628 12.055 1.00 54.53 H new ATOM 0 HD13 LEU A 39 -1.151 4.190 11.028 1.00 54.53 H new ATOM 0 HD21 LEU A 39 1.814 3.960 10.225 1.00 33.32 H new ATOM 0 HD22 LEU A 39 0.465 3.827 9.072 1.00 33.32 H new ATOM 0 HD23 LEU A 39 1.755 5.022 8.798 1.00 33.32 H new ATOM 634 N PHE A 40 -0.149 7.626 6.476 1.00 14.13 N ATOM 635 CA PHE A 40 0.341 7.444 5.115 1.00 55.41 C ATOM 636 C PHE A 40 0.204 8.734 4.311 1.00 4.32 C ATOM 637 O PHE A 40 -0.894 9.266 4.152 1.00 14.33 O ATOM 638 CB PHE A 40 -0.424 6.315 4.421 1.00 13.05 C ATOM 639 CG PHE A 40 -0.692 5.137 5.314 1.00 73.35 C ATOM 640 CD1 PHE A 40 -1.832 5.092 6.101 1.00 63.04 C ATOM 641 CD2 PHE A 40 0.195 4.074 5.365 1.00 72.45 C ATOM 642 CE1 PHE A 40 -2.080 4.009 6.923 1.00 52.21 C ATOM 643 CE2 PHE A 40 -0.049 2.988 6.185 1.00 64.14 C ATOM 644 CZ PHE A 40 -1.188 2.955 6.964 1.00 53.40 C ATOM 0 H PHE A 40 -1.127 7.909 6.538 1.00 14.13 H new ATOM 0 HA PHE A 40 1.397 7.179 5.168 1.00 55.41 H new ATOM 0 HB2 PHE A 40 -1.373 6.704 4.050 1.00 13.05 H new ATOM 0 HB3 PHE A 40 0.145 5.981 3.553 1.00 13.05 H new ATOM 0 HD1 PHE A 40 -2.534 5.912 6.072 1.00 63.04 H new ATOM 0 HD2 PHE A 40 1.087 4.094 4.757 1.00 72.45 H new ATOM 0 HE1 PHE A 40 -2.971 3.987 7.533 1.00 52.21 H new ATOM 0 HE2 PHE A 40 0.651 2.166 6.216 1.00 64.14 H new ATOM 0 HZ PHE A 40 -1.381 2.107 7.604 1.00 53.40 H new ATOM 654 N ASP A 41 1.328 9.232 3.807 1.00 25.44 N ATOM 655 CA ASP A 41 1.336 10.459 3.020 1.00 61.24 C ATOM 656 C ASP A 41 0.420 10.331 1.806 1.00 1.44 C ATOM 657 O ASP A 41 -0.022 11.332 1.242 1.00 41.33 O ATOM 658 CB ASP A 41 2.759 10.791 2.567 1.00 31.13 C ATOM 659 CG ASP A 41 2.797 11.927 1.564 1.00 21.10 C ATOM 660 OD1 ASP A 41 2.738 13.099 1.992 1.00 75.13 O ATOM 661 OD2 ASP A 41 2.887 11.644 0.351 1.00 25.03 O ATOM 0 H ASP A 41 2.246 8.804 3.930 1.00 25.44 H new ATOM 0 HA ASP A 41 0.966 11.268 3.650 1.00 61.24 H new ATOM 0 HB2 ASP A 41 3.361 11.057 3.436 1.00 31.13 H new ATOM 0 HB3 ASP A 41 3.213 9.904 2.124 1.00 31.13 H new ATOM 666 N TYR A 42 0.140 9.095 1.410 1.00 21.24 N ATOM 667 CA TYR A 42 -0.720 8.836 0.262 1.00 53.41 C ATOM 668 C TYR A 42 -1.475 7.521 0.431 1.00 1.35 C ATOM 669 O TYR A 42 -0.872 6.469 0.642 1.00 70.45 O ATOM 670 CB TYR A 42 0.107 8.800 -1.024 1.00 2.20 C ATOM 671 CG TYR A 42 -0.716 8.546 -2.267 1.00 3.23 C ATOM 672 CD1 TYR A 42 -1.970 9.123 -2.423 1.00 0.40 C ATOM 673 CD2 TYR A 42 -0.240 7.728 -3.284 1.00 43.40 C ATOM 674 CE1 TYR A 42 -2.726 8.894 -3.556 1.00 62.33 C ATOM 675 CE2 TYR A 42 -0.988 7.494 -4.421 1.00 40.34 C ATOM 676 CZ TYR A 42 -2.230 8.079 -4.553 1.00 33.12 C ATOM 677 OH TYR A 42 -2.979 7.847 -5.684 1.00 33.04 O ATOM 0 H TYR A 42 0.496 8.256 1.867 1.00 21.24 H new ATOM 0 HA TYR A 42 -1.447 9.645 0.196 1.00 53.41 H new ATOM 0 HB2 TYR A 42 0.633 9.748 -1.134 1.00 2.20 H new ATOM 0 HB3 TYR A 42 0.866 8.023 -0.936 1.00 2.20 H new ATOM 0 HD1 TYR A 42 -2.361 9.762 -1.645 1.00 0.40 H new ATOM 0 HD2 TYR A 42 0.732 7.267 -3.184 1.00 43.40 H new ATOM 0 HE1 TYR A 42 -3.699 9.350 -3.661 1.00 62.33 H new ATOM 0 HE2 TYR A 42 -0.602 6.856 -5.203 1.00 40.34 H new ATOM 0 HH TYR A 42 -3.909 8.108 -5.519 1.00 33.04 H new ATOM 687 N PHE A 43 -2.799 7.590 0.338 1.00 2.10 N ATOM 688 CA PHE A 43 -3.638 6.406 0.481 1.00 2.11 C ATOM 689 C PHE A 43 -4.692 6.350 -0.621 1.00 65.22 C ATOM 690 O PHE A 43 -5.575 7.204 -0.694 1.00 14.04 O ATOM 691 CB PHE A 43 -4.317 6.399 1.852 1.00 21.22 C ATOM 692 CG PHE A 43 -4.452 5.026 2.447 1.00 1.31 C ATOM 693 CD1 PHE A 43 -4.477 3.904 1.635 1.00 54.22 C ATOM 694 CD2 PHE A 43 -4.554 4.858 3.819 1.00 41.33 C ATOM 695 CE1 PHE A 43 -4.601 2.640 2.179 1.00 71.40 C ATOM 696 CE2 PHE A 43 -4.677 3.596 4.369 1.00 53.45 C ATOM 697 CZ PHE A 43 -4.702 2.486 3.548 1.00 72.23 C ATOM 0 H PHE A 43 -3.314 8.453 0.164 1.00 2.10 H new ATOM 0 HA PHE A 43 -3.000 5.527 0.394 1.00 2.11 H new ATOM 0 HB2 PHE A 43 -3.746 7.028 2.535 1.00 21.22 H new ATOM 0 HB3 PHE A 43 -5.307 6.846 1.761 1.00 21.22 H new ATOM 0 HD1 PHE A 43 -4.399 4.019 0.564 1.00 54.22 H new ATOM 0 HD2 PHE A 43 -4.537 5.723 4.466 1.00 41.33 H new ATOM 0 HE1 PHE A 43 -4.619 1.773 1.535 1.00 71.40 H new ATOM 0 HE2 PHE A 43 -4.753 3.478 5.440 1.00 53.45 H new ATOM 0 HZ PHE A 43 -4.800 1.499 3.976 1.00 72.23 H new ATOM 707 N ILE A 44 -4.590 5.339 -1.477 1.00 71.41 N ATOM 708 CA ILE A 44 -5.534 5.170 -2.575 1.00 42.21 C ATOM 709 C ILE A 44 -5.937 3.708 -2.735 1.00 4.15 C ATOM 710 O ILE A 44 -5.102 2.851 -3.025 1.00 2.05 O ATOM 711 CB ILE A 44 -4.946 5.677 -3.905 1.00 50.14 C ATOM 712 CG1 ILE A 44 -5.798 5.195 -5.081 1.00 61.42 C ATOM 713 CG2 ILE A 44 -3.506 5.210 -4.060 1.00 54.14 C ATOM 714 CD1 ILE A 44 -5.950 6.223 -6.180 1.00 3.43 C ATOM 0 H ILE A 44 -3.863 4.625 -1.431 1.00 71.41 H new ATOM 0 HA ILE A 44 -6.415 5.762 -2.327 1.00 42.21 H new ATOM 0 HB ILE A 44 -4.955 6.767 -3.897 1.00 50.14 H new ATOM 0 HG12 ILE A 44 -5.350 4.293 -5.498 1.00 61.42 H new ATOM 0 HG13 ILE A 44 -6.786 4.919 -4.714 1.00 61.42 H new ATOM 0 HG21 ILE A 44 -3.104 5.576 -5.005 1.00 54.14 H new ATOM 0 HG22 ILE A 44 -2.907 5.598 -3.236 1.00 54.14 H new ATOM 0 HG23 ILE A 44 -3.474 4.121 -4.050 1.00 54.14 H new ATOM 0 HD11 ILE A 44 -6.566 5.812 -6.980 1.00 3.43 H new ATOM 0 HD12 ILE A 44 -6.426 7.117 -5.778 1.00 3.43 H new ATOM 0 HD13 ILE A 44 -4.967 6.482 -6.575 1.00 3.43 H new ATOM 726 N VAL A 45 -7.223 3.430 -2.545 1.00 5.13 N ATOM 727 CA VAL A 45 -7.738 2.072 -2.670 1.00 63.13 C ATOM 728 C VAL A 45 -8.841 1.998 -3.719 1.00 75.42 C ATOM 729 O VAL A 45 -9.727 2.851 -3.766 1.00 24.23 O ATOM 730 CB VAL A 45 -8.285 1.553 -1.327 1.00 60.14 C ATOM 731 CG1 VAL A 45 -8.322 0.032 -1.317 1.00 43.35 C ATOM 732 CG2 VAL A 45 -7.449 2.082 -0.172 1.00 20.33 C ATOM 0 H VAL A 45 -7.927 4.127 -2.304 1.00 5.13 H new ATOM 0 HA VAL A 45 -6.903 1.444 -2.980 1.00 63.13 H new ATOM 0 HB VAL A 45 -9.305 1.918 -1.204 1.00 60.14 H new ATOM 0 HG11 VAL A 45 -8.711 -0.316 -0.360 1.00 43.35 H new ATOM 0 HG12 VAL A 45 -8.967 -0.322 -2.121 1.00 43.35 H new ATOM 0 HG13 VAL A 45 -7.314 -0.357 -1.462 1.00 43.35 H new ATOM 0 HG21 VAL A 45 -7.849 1.706 0.769 1.00 20.33 H new ATOM 0 HG22 VAL A 45 -6.418 1.749 -0.287 1.00 20.33 H new ATOM 0 HG23 VAL A 45 -7.480 3.172 -0.170 1.00 20.33 H new ATOM 742 N GLY A 46 -8.783 0.970 -4.561 1.00 23.22 N ATOM 743 CA GLY A 46 -9.783 0.802 -5.598 1.00 54.43 C ATOM 744 C GLY A 46 -10.388 -0.588 -5.602 1.00 13.55 C ATOM 745 O GLY A 46 -9.681 -1.579 -5.428 1.00 65.14 O ATOM 0 H GLY A 46 -8.060 0.250 -4.543 1.00 23.22 H new ATOM 0 HA2 GLY A 46 -10.574 1.539 -5.458 1.00 54.43 H new ATOM 0 HA3 GLY A 46 -9.331 1.001 -6.570 1.00 54.43 H new ATOM 749 N GLU A 47 -11.701 -0.660 -5.797 1.00 52.43 N ATOM 750 CA GLU A 47 -12.400 -1.939 -5.819 1.00 55.04 C ATOM 751 C GLU A 47 -12.605 -2.422 -7.252 1.00 73.42 C ATOM 752 O GLU A 47 -13.016 -1.656 -8.123 1.00 61.43 O ATOM 753 CB GLU A 47 -13.752 -1.819 -5.112 1.00 22.02 C ATOM 754 CG GLU A 47 -14.627 -3.052 -5.258 1.00 71.43 C ATOM 755 CD GLU A 47 -15.285 -3.459 -3.954 1.00 61.20 C ATOM 756 OE1 GLU A 47 -16.064 -2.651 -3.406 1.00 73.42 O ATOM 757 OE2 GLU A 47 -15.021 -4.584 -3.481 1.00 64.11 O ATOM 0 H GLU A 47 -12.301 0.152 -5.942 1.00 52.43 H new ATOM 0 HA GLU A 47 -11.786 -2.669 -5.292 1.00 55.04 H new ATOM 0 HB2 GLU A 47 -13.583 -1.628 -4.052 1.00 22.02 H new ATOM 0 HB3 GLU A 47 -14.285 -0.956 -5.511 1.00 22.02 H new ATOM 0 HG2 GLU A 47 -15.397 -2.860 -6.005 1.00 71.43 H new ATOM 0 HG3 GLU A 47 -14.023 -3.880 -5.629 1.00 71.43 H new ATOM 875 N PRO A 56 -15.534 -10.091 -6.142 1.00 42.51 N ATOM 876 CA PRO A 56 -14.793 -8.827 -6.073 1.00 61.53 C ATOM 877 C PRO A 56 -13.395 -9.006 -5.490 1.00 35.22 C ATOM 878 O PRO A 56 -13.110 -10.007 -4.831 1.00 40.13 O ATOM 879 CB PRO A 56 -15.652 -7.962 -5.148 1.00 31.21 C ATOM 880 CG PRO A 56 -16.401 -8.936 -4.306 1.00 75.51 C ATOM 881 CD PRO A 56 -16.648 -10.135 -5.180 1.00 25.32 C ATOM 0 HA PRO A 56 -14.636 -8.392 -7.060 1.00 61.53 H new ATOM 0 HB2 PRO A 56 -15.035 -7.303 -4.537 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -16.331 -7.327 -5.717 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -15.826 -9.210 -3.421 1.00 75.51 H new ATOM 0 HG3 PRO A 56 -17.340 -8.508 -3.956 1.00 75.51 H new ATOM 0 HD2 PRO A 56 -16.645 -11.060 -4.603 1.00 25.32 H new ATOM 0 HD3 PRO A 56 -17.614 -10.075 -5.681 1.00 25.32 H new ATOM 889 N HIS A 57 -12.527 -8.030 -5.735 1.00 54.21 N ATOM 890 CA HIS A 57 -11.159 -8.079 -5.233 1.00 20.44 C ATOM 891 C HIS A 57 -10.707 -6.704 -4.750 1.00 73.22 C ATOM 892 O HIS A 57 -11.018 -5.685 -5.368 1.00 65.05 O ATOM 893 CB HIS A 57 -10.212 -8.588 -6.320 1.00 40.30 C ATOM 894 CG HIS A 57 -8.764 -8.467 -5.958 1.00 2.53 C ATOM 895 ND1 HIS A 57 -8.064 -7.281 -6.038 1.00 54.15 N ATOM 896 CD2 HIS A 57 -7.883 -9.391 -5.509 1.00 31.22 C ATOM 897 CE1 HIS A 57 -6.816 -7.482 -5.657 1.00 2.13 C ATOM 898 NE2 HIS A 57 -6.680 -8.754 -5.330 1.00 22.33 N ATOM 0 H HIS A 57 -12.747 -7.195 -6.278 1.00 54.21 H new ATOM 0 HA HIS A 57 -11.133 -8.767 -4.388 1.00 20.44 H new ATOM 0 HB2 HIS A 57 -10.440 -9.633 -6.528 1.00 40.30 H new ATOM 0 HB3 HIS A 57 -10.396 -8.032 -7.240 1.00 40.30 H new ATOM 0 HD1 HIS A 57 -8.450 -6.388 -6.344 1.00 54.15 H new ATOM 0 HD2 HIS A 57 -8.088 -10.435 -5.326 1.00 31.22 H new ATOM 0 HE1 HIS A 57 -6.039 -6.733 -5.619 1.00 2.13 H new ATOM 906 N LEU A 58 -9.974 -6.683 -3.643 1.00 10.33 N ATOM 907 CA LEU A 58 -9.480 -5.432 -3.076 1.00 61.34 C ATOM 908 C LEU A 58 -8.071 -5.128 -3.575 1.00 50.24 C ATOM 909 O LEU A 58 -7.126 -5.856 -3.275 1.00 24.12 O ATOM 910 CB LEU A 58 -9.488 -5.503 -1.548 1.00 61.24 C ATOM 911 CG LEU A 58 -9.996 -4.257 -0.821 1.00 64.54 C ATOM 912 CD1 LEU A 58 -9.797 -4.398 0.680 1.00 53.31 C ATOM 913 CD2 LEU A 58 -9.291 -3.013 -1.340 1.00 43.33 C ATOM 0 H LEU A 58 -9.708 -7.517 -3.120 1.00 10.33 H new ATOM 0 HA LEU A 58 -10.142 -4.629 -3.399 1.00 61.34 H new ATOM 0 HB2 LEU A 58 -10.103 -6.351 -1.247 1.00 61.24 H new ATOM 0 HB3 LEU A 58 -8.473 -5.709 -1.208 1.00 61.24 H new ATOM 0 HG LEU A 58 -11.063 -4.154 -1.017 1.00 64.54 H new ATOM 0 HD11 LEU A 58 -10.164 -3.502 1.181 1.00 53.31 H new ATOM 0 HD12 LEU A 58 -10.348 -5.267 1.040 1.00 53.31 H new ATOM 0 HD13 LEU A 58 -8.736 -4.526 0.896 1.00 53.31 H new ATOM 0 HD21 LEU A 58 -9.665 -2.136 -0.812 1.00 43.33 H new ATOM 0 HD22 LEU A 58 -8.218 -3.107 -1.174 1.00 43.33 H new ATOM 0 HD23 LEU A 58 -9.485 -2.904 -2.407 1.00 43.33 H new ATOM 925 N GLN A 59 -7.939 -4.046 -4.337 1.00 33.42 N ATOM 926 CA GLN A 59 -6.645 -3.645 -4.876 1.00 31.33 C ATOM 927 C GLN A 59 -6.389 -2.162 -4.629 1.00 60.14 C ATOM 928 O GLN A 59 -7.087 -1.304 -5.168 1.00 3.34 O ATOM 929 CB GLN A 59 -6.578 -3.945 -6.374 1.00 50.43 C ATOM 930 CG GLN A 59 -5.388 -3.304 -7.070 1.00 22.11 C ATOM 931 CD GLN A 59 -4.062 -3.865 -6.593 1.00 53.35 C ATOM 932 OE1 GLN A 59 -3.526 -4.805 -7.180 1.00 60.12 O ATOM 933 NE2 GLN A 59 -3.526 -3.289 -5.524 1.00 2.20 N ATOM 0 H GLN A 59 -8.712 -3.432 -4.594 1.00 33.42 H new ATOM 0 HA GLN A 59 -5.872 -4.218 -4.364 1.00 31.33 H new ATOM 0 HB2 GLN A 59 -6.535 -5.025 -6.518 1.00 50.43 H new ATOM 0 HB3 GLN A 59 -7.496 -3.597 -6.847 1.00 50.43 H new ATOM 0 HG2 GLN A 59 -5.476 -3.455 -8.146 1.00 22.11 H new ATOM 0 HG3 GLN A 59 -5.407 -2.228 -6.897 1.00 22.11 H new ATOM 0 HE21 GLN A 59 -4.005 -2.512 -5.069 1.00 2.20 H new ATOM 0 HE22 GLN A 59 -2.635 -3.623 -5.158 1.00 2.20 H new ATOM 942 N GLY A 60 -5.383 -1.868 -3.811 1.00 61.03 N ATOM 943 CA GLY A 60 -5.053 -0.488 -3.508 1.00 1.24 C ATOM 944 C GLY A 60 -3.592 -0.307 -3.146 1.00 31.14 C ATOM 945 O GLY A 60 -2.872 -1.283 -2.933 1.00 73.12 O ATOM 0 H GLY A 60 -4.791 -2.561 -3.353 1.00 61.03 H new ATOM 0 HA2 GLY A 60 -5.291 0.137 -4.369 1.00 1.24 H new ATOM 0 HA3 GLY A 60 -5.674 -0.142 -2.682 1.00 1.24 H new ATOM 949 N PHE A 61 -3.152 0.945 -3.077 1.00 23.25 N ATOM 950 CA PHE A 61 -1.766 1.250 -2.740 1.00 50.45 C ATOM 951 C PHE A 61 -1.693 2.302 -1.637 1.00 51.25 C ATOM 952 O PHE A 61 -2.475 3.252 -1.618 1.00 74.11 O ATOM 953 CB PHE A 61 -1.015 1.742 -3.980 1.00 21.43 C ATOM 954 CG PHE A 61 0.271 2.448 -3.660 1.00 45.10 C ATOM 955 CD1 PHE A 61 1.282 1.797 -2.971 1.00 62.03 C ATOM 956 CD2 PHE A 61 0.470 3.763 -4.049 1.00 2.13 C ATOM 957 CE1 PHE A 61 2.466 2.445 -2.675 1.00 44.13 C ATOM 958 CE2 PHE A 61 1.653 4.416 -3.756 1.00 14.31 C ATOM 959 CZ PHE A 61 2.652 3.756 -3.069 1.00 64.11 C ATOM 0 H PHE A 61 -3.734 1.764 -3.250 1.00 23.25 H new ATOM 0 HA PHE A 61 -1.296 0.336 -2.377 1.00 50.45 H new ATOM 0 HB2 PHE A 61 -0.802 0.891 -4.627 1.00 21.43 H new ATOM 0 HB3 PHE A 61 -1.661 2.417 -4.542 1.00 21.43 H new ATOM 0 HD1 PHE A 61 1.143 0.772 -2.662 1.00 62.03 H new ATOM 0 HD2 PHE A 61 -0.308 4.284 -4.587 1.00 2.13 H new ATOM 0 HE1 PHE A 61 3.245 1.927 -2.136 1.00 44.13 H new ATOM 0 HE2 PHE A 61 1.795 5.441 -4.064 1.00 14.31 H new ATOM 0 HZ PHE A 61 3.577 4.264 -2.840 1.00 64.11 H new ATOM 969 N ALA A 62 -0.748 2.125 -0.720 1.00 61.42 N ATOM 970 CA ALA A 62 -0.571 3.058 0.385 1.00 11.02 C ATOM 971 C ALA A 62 0.903 3.390 0.593 1.00 33.33 C ATOM 972 O ALA A 62 1.738 2.495 0.716 1.00 3.31 O ATOM 973 CB ALA A 62 -1.170 2.485 1.661 1.00 74.11 C ATOM 0 H ALA A 62 -0.093 1.343 -0.721 1.00 61.42 H new ATOM 0 HA ALA A 62 -1.093 3.982 0.135 1.00 11.02 H new ATOM 0 HB1 ALA A 62 -1.030 3.193 2.478 1.00 74.11 H new ATOM 0 HB2 ALA A 62 -2.235 2.306 1.514 1.00 74.11 H new ATOM 0 HB3 ALA A 62 -0.674 1.546 1.906 1.00 74.11 H new ATOM 979 N ASN A 63 1.214 4.681 0.631 1.00 2.21 N ATOM 980 CA ASN A 63 2.588 5.131 0.823 1.00 23.30 C ATOM 981 C ASN A 63 2.852 5.465 2.288 1.00 33.22 C ATOM 982 O ASN A 63 2.269 6.400 2.837 1.00 35.34 O ATOM 983 CB ASN A 63 2.873 6.354 -0.050 1.00 3.40 C ATOM 984 CG ASN A 63 4.312 6.820 0.059 1.00 4.12 C ATOM 985 OD1 ASN A 63 4.758 7.251 1.123 1.00 62.50 O ATOM 986 ND2 ASN A 63 5.047 6.736 -1.044 1.00 74.11 N ATOM 0 H ASN A 63 0.533 5.434 0.531 1.00 2.21 H new ATOM 0 HA ASN A 63 3.254 4.320 0.528 1.00 23.30 H new ATOM 0 HB2 ASN A 63 2.649 6.115 -1.090 1.00 3.40 H new ATOM 0 HB3 ASN A 63 2.208 7.167 0.240 1.00 3.40 H new ATOM 0 HD21 ASN A 63 6.022 7.035 -1.031 1.00 74.11 H new ATOM 0 HD22 ASN A 63 4.636 6.372 -1.904 1.00 74.11 H new ATOM 993 N PHE A 64 3.734 4.695 2.916 1.00 64.35 N ATOM 994 CA PHE A 64 4.075 4.908 4.317 1.00 4.22 C ATOM 995 C PHE A 64 4.871 6.198 4.493 1.00 45.11 C ATOM 996 O PHE A 64 5.846 6.441 3.781 1.00 3.14 O ATOM 997 CB PHE A 64 4.879 3.722 4.855 1.00 41.41 C ATOM 998 CG PHE A 64 4.102 2.850 5.799 1.00 0.42 C ATOM 999 CD1 PHE A 64 3.880 3.249 7.108 1.00 64.14 C ATOM 1000 CD2 PHE A 64 3.593 1.633 5.378 1.00 33.53 C ATOM 1001 CE1 PHE A 64 3.166 2.448 7.979 1.00 63.14 C ATOM 1002 CE2 PHE A 64 2.877 0.827 6.245 1.00 44.42 C ATOM 1003 CZ PHE A 64 2.663 1.236 7.546 1.00 1.34 C ATOM 0 H PHE A 64 4.226 3.917 2.476 1.00 64.35 H new ATOM 0 HA PHE A 64 3.147 4.994 4.882 1.00 4.22 H new ATOM 0 HB2 PHE A 64 5.225 3.118 4.016 1.00 41.41 H new ATOM 0 HB3 PHE A 64 5.766 4.096 5.366 1.00 41.41 H new ATOM 0 HD1 PHE A 64 4.269 4.196 7.451 1.00 64.14 H new ATOM 0 HD2 PHE A 64 3.757 1.309 4.361 1.00 33.53 H new ATOM 0 HE1 PHE A 64 3.001 2.769 8.997 1.00 63.14 H new ATOM 0 HE2 PHE A 64 2.486 -0.121 5.905 1.00 44.42 H new ATOM 0 HZ PHE A 64 2.103 0.609 8.225 1.00 1.34 H new ATOM 1013 N VAL A 65 4.448 7.023 5.446 1.00 61.43 N ATOM 1014 CA VAL A 65 5.121 8.288 5.716 1.00 34.43 C ATOM 1015 C VAL A 65 6.570 8.062 6.131 1.00 62.23 C ATOM 1016 O VAL A 65 7.417 8.941 5.973 1.00 43.22 O ATOM 1017 CB VAL A 65 4.400 9.081 6.822 1.00 13.13 C ATOM 1018 CG1 VAL A 65 5.213 10.304 7.219 1.00 21.32 C ATOM 1019 CG2 VAL A 65 3.005 9.483 6.366 1.00 3.32 C ATOM 0 H VAL A 65 3.643 6.838 6.044 1.00 61.43 H new ATOM 0 HA VAL A 65 5.097 8.864 4.791 1.00 34.43 H new ATOM 0 HB VAL A 65 4.301 8.440 7.698 1.00 13.13 H new ATOM 0 HG11 VAL A 65 4.688 10.852 8.001 1.00 21.32 H new ATOM 0 HG12 VAL A 65 6.188 9.988 7.589 1.00 21.32 H new ATOM 0 HG13 VAL A 65 5.346 10.950 6.351 1.00 21.32 H new ATOM 0 HG21 VAL A 65 2.510 10.042 7.160 1.00 3.32 H new ATOM 0 HG22 VAL A 65 3.079 10.106 5.475 1.00 3.32 H new ATOM 0 HG23 VAL A 65 2.425 8.589 6.137 1.00 3.32 H new ATOM 1029 N LYS A 66 6.850 6.876 6.662 1.00 41.43 N ATOM 1030 CA LYS A 66 8.198 6.532 7.098 1.00 21.11 C ATOM 1031 C LYS A 66 8.648 5.211 6.483 1.00 63.14 C ATOM 1032 O LYS A 66 7.950 4.632 5.651 1.00 73.54 O ATOM 1033 CB LYS A 66 8.254 6.441 8.625 1.00 65.03 C ATOM 1034 CG LYS A 66 7.125 5.624 9.227 1.00 22.55 C ATOM 1035 CD LYS A 66 5.968 6.507 9.663 1.00 2.02 C ATOM 1036 CE LYS A 66 6.108 6.932 11.117 1.00 44.33 C ATOM 1037 NZ LYS A 66 5.077 6.297 11.983 1.00 61.54 N ATOM 0 H LYS A 66 6.161 6.137 6.801 1.00 41.43 H new ATOM 0 HA LYS A 66 8.874 7.318 6.761 1.00 21.11 H new ATOM 0 HB2 LYS A 66 9.207 6.001 8.920 1.00 65.03 H new ATOM 0 HB3 LYS A 66 8.225 7.448 9.042 1.00 65.03 H new ATOM 0 HG2 LYS A 66 6.773 4.895 8.497 1.00 22.55 H new ATOM 0 HG3 LYS A 66 7.498 5.062 10.083 1.00 22.55 H new ATOM 0 HD2 LYS A 66 5.924 7.391 9.027 1.00 2.02 H new ATOM 0 HD3 LYS A 66 5.029 5.971 9.528 1.00 2.02 H new ATOM 0 HE2 LYS A 66 7.101 6.665 11.479 1.00 44.33 H new ATOM 0 HE3 LYS A 66 6.024 8.016 11.188 1.00 44.33 H new ATOM 0 HZ1 LYS A 66 5.207 6.612 12.966 1.00 61.54 H new ATOM 0 HZ2 LYS A 66 4.130 6.572 11.653 1.00 61.54 H new ATOM 0 HZ3 LYS A 66 5.173 5.263 11.936 1.00 61.54 H new ATOM 1051 N LYS A 67 9.819 4.738 6.898 1.00 53.53 N ATOM 1052 CA LYS A 67 10.362 3.484 6.390 1.00 53.21 C ATOM 1053 C LYS A 67 9.840 2.299 7.197 1.00 44.42 C ATOM 1054 O LYS A 67 9.990 2.255 8.417 1.00 24.15 O ATOM 1055 CB LYS A 67 11.891 3.512 6.434 1.00 21.43 C ATOM 1056 CG LYS A 67 12.538 3.590 5.062 1.00 1.33 C ATOM 1057 CD LYS A 67 12.749 5.031 4.627 1.00 22.31 C ATOM 1058 CE LYS A 67 13.871 5.146 3.606 1.00 33.21 C ATOM 1059 NZ LYS A 67 14.967 6.033 4.084 1.00 11.30 N ATOM 0 H LYS A 67 10.410 5.205 7.585 1.00 53.53 H new ATOM 0 HA LYS A 67 10.037 3.368 5.356 1.00 53.21 H new ATOM 0 HB2 LYS A 67 12.213 4.368 7.028 1.00 21.43 H new ATOM 0 HB3 LYS A 67 12.248 2.617 6.944 1.00 21.43 H new ATOM 0 HG2 LYS A 67 13.496 3.070 5.080 1.00 1.33 H new ATOM 0 HG3 LYS A 67 11.911 3.077 4.333 1.00 1.33 H new ATOM 0 HD2 LYS A 67 11.826 5.422 4.200 1.00 22.31 H new ATOM 0 HD3 LYS A 67 12.983 5.644 5.497 1.00 22.31 H new ATOM 0 HE2 LYS A 67 14.272 4.155 3.394 1.00 33.21 H new ATOM 0 HE3 LYS A 67 13.471 5.535 2.669 1.00 33.21 H new ATOM 0 HZ1 LYS A 67 15.712 6.085 3.360 1.00 11.30 H new ATOM 0 HZ2 LYS A 67 14.590 6.986 4.262 1.00 11.30 H new ATOM 0 HZ3 LYS A 67 15.366 5.649 4.964 1.00 11.30 H new ATOM 1073 N GLN A 68 9.229 1.342 6.506 1.00 24.15 N ATOM 1074 CA GLN A 68 8.687 0.157 7.160 1.00 22.33 C ATOM 1075 C GLN A 68 9.048 -1.106 6.385 1.00 42.12 C ATOM 1076 O GLN A 68 9.227 -1.070 5.167 1.00 63.22 O ATOM 1077 CB GLN A 68 7.168 0.271 7.292 1.00 14.53 C ATOM 1078 CG GLN A 68 6.715 1.508 8.052 1.00 35.31 C ATOM 1079 CD GLN A 68 5.736 1.183 9.164 1.00 51.54 C ATOM 1080 OE1 GLN A 68 5.052 0.160 9.126 1.00 64.04 O ATOM 1081 NE2 GLN A 68 5.663 2.056 10.162 1.00 25.11 N ATOM 0 H GLN A 68 9.097 1.364 5.495 1.00 24.15 H new ATOM 0 HA GLN A 68 9.127 0.089 8.155 1.00 22.33 H new ATOM 0 HB2 GLN A 68 6.725 0.284 6.296 1.00 14.53 H new ATOM 0 HB3 GLN A 68 6.788 -0.616 7.799 1.00 14.53 H new ATOM 0 HG2 GLN A 68 7.586 2.010 8.474 1.00 35.31 H new ATOM 0 HG3 GLN A 68 6.251 2.207 7.357 1.00 35.31 H new ATOM 0 HE21 GLN A 68 6.249 2.891 10.153 1.00 25.11 H new ATOM 0 HE22 GLN A 68 5.021 1.891 10.938 1.00 25.11 H new ATOM 1090 N THR A 69 9.154 -2.223 7.098 1.00 4.22 N ATOM 1091 CA THR A 69 9.496 -3.497 6.478 1.00 55.43 C ATOM 1092 C THR A 69 8.243 -4.254 6.053 1.00 71.15 C ATOM 1093 O THR A 69 7.128 -3.887 6.423 1.00 74.00 O ATOM 1094 CB THR A 69 10.319 -4.383 7.431 1.00 61.11 C ATOM 1095 OG1 THR A 69 9.478 -4.900 8.468 1.00 21.21 O ATOM 1096 CG2 THR A 69 11.466 -3.596 8.046 1.00 23.02 C ATOM 0 H THR A 69 9.008 -2.271 8.106 1.00 4.22 H new ATOM 0 HA THR A 69 10.097 -3.269 5.597 1.00 55.43 H new ATOM 0 HB THR A 69 10.735 -5.210 6.855 1.00 61.11 H new ATOM 0 HG1 THR A 69 10.009 -5.464 9.069 1.00 21.21 H new ATOM 0 HG21 THR A 69 12.033 -4.243 8.716 1.00 23.02 H new ATOM 0 HG22 THR A 69 12.120 -3.229 7.255 1.00 23.02 H new ATOM 0 HG23 THR A 69 11.068 -2.752 8.608 1.00 23.02 H new ATOM 1104 N PHE A 70 8.434 -5.313 5.273 1.00 34.53 N ATOM 1105 CA PHE A 70 7.318 -6.123 4.797 1.00 21.23 C ATOM 1106 C PHE A 70 6.565 -6.752 5.966 1.00 52.11 C ATOM 1107 O PHE A 70 5.352 -6.593 6.094 1.00 52.51 O ATOM 1108 CB PHE A 70 7.821 -7.217 3.852 1.00 14.43 C ATOM 1109 CG PHE A 70 6.831 -8.326 3.639 1.00 54.35 C ATOM 1110 CD1 PHE A 70 5.640 -8.090 2.971 1.00 72.04 C ATOM 1111 CD2 PHE A 70 7.091 -9.604 4.106 1.00 14.21 C ATOM 1112 CE1 PHE A 70 4.727 -9.109 2.772 1.00 53.52 C ATOM 1113 CE2 PHE A 70 6.182 -10.626 3.910 1.00 75.21 C ATOM 1114 CZ PHE A 70 4.998 -10.378 3.243 1.00 34.11 C ATOM 0 H PHE A 70 9.350 -5.630 4.957 1.00 34.53 H new ATOM 0 HA PHE A 70 6.633 -5.471 4.255 1.00 21.23 H new ATOM 0 HB2 PHE A 70 8.066 -6.770 2.889 1.00 14.43 H new ATOM 0 HB3 PHE A 70 8.744 -7.636 4.253 1.00 14.43 H new ATOM 0 HD1 PHE A 70 5.422 -7.099 2.602 1.00 72.04 H new ATOM 0 HD2 PHE A 70 8.014 -9.804 4.629 1.00 14.21 H new ATOM 0 HE1 PHE A 70 3.803 -8.912 2.249 1.00 53.52 H new ATOM 0 HE2 PHE A 70 6.397 -11.618 4.278 1.00 75.21 H new ATOM 0 HZ PHE A 70 4.286 -11.175 3.090 1.00 34.11 H new ATOM 1124 N ASN A 71 7.294 -7.468 6.816 1.00 42.33 N ATOM 1125 CA ASN A 71 6.696 -8.122 7.974 1.00 73.14 C ATOM 1126 C ASN A 71 6.072 -7.097 8.916 1.00 43.11 C ATOM 1127 O ASN A 71 4.992 -7.317 9.465 1.00 65.32 O ATOM 1128 CB ASN A 71 7.747 -8.945 8.721 1.00 43.14 C ATOM 1129 CG ASN A 71 7.195 -10.261 9.233 1.00 13.34 C ATOM 1130 OD1 ASN A 71 6.277 -10.284 10.054 1.00 3.20 O ATOM 1131 ND2 ASN A 71 7.753 -11.365 8.751 1.00 53.23 N ATOM 0 H ASN A 71 8.300 -7.610 6.724 1.00 42.33 H new ATOM 0 HA ASN A 71 5.910 -8.787 7.618 1.00 73.14 H new ATOM 0 HB2 ASN A 71 8.589 -9.141 8.058 1.00 43.14 H new ATOM 0 HB3 ASN A 71 8.130 -8.364 9.560 1.00 43.14 H new ATOM 0 HD21 ASN A 71 7.423 -12.280 9.060 1.00 53.23 H new ATOM 0 HD22 ASN A 71 8.511 -11.299 8.072 1.00 53.23 H new ATOM 1138 N LYS A 72 6.760 -5.975 9.099 1.00 54.44 N ATOM 1139 CA LYS A 72 6.274 -4.913 9.972 1.00 22.25 C ATOM 1140 C LYS A 72 4.989 -4.302 9.424 1.00 41.33 C ATOM 1141 O LYS A 72 3.998 -4.166 10.142 1.00 44.32 O ATOM 1142 CB LYS A 72 7.341 -3.827 10.131 1.00 31.44 C ATOM 1143 CG LYS A 72 6.837 -2.578 10.833 1.00 22.01 C ATOM 1144 CD LYS A 72 6.249 -2.903 12.196 1.00 1.30 C ATOM 1145 CE LYS A 72 5.689 -1.660 12.872 1.00 73.55 C ATOM 1146 NZ LYS A 72 6.740 -0.911 13.613 1.00 12.54 N ATOM 0 H LYS A 72 7.656 -5.778 8.654 1.00 54.44 H new ATOM 0 HA LYS A 72 6.060 -5.349 10.948 1.00 22.25 H new ATOM 0 HB2 LYS A 72 8.182 -4.235 10.692 1.00 31.44 H new ATOM 0 HB3 LYS A 72 7.718 -3.553 9.146 1.00 31.44 H new ATOM 0 HG2 LYS A 72 7.657 -1.869 10.949 1.00 22.01 H new ATOM 0 HG3 LYS A 72 6.081 -2.093 10.216 1.00 22.01 H new ATOM 0 HD2 LYS A 72 5.459 -3.645 12.085 1.00 1.30 H new ATOM 0 HD3 LYS A 72 7.017 -3.348 12.828 1.00 1.30 H new ATOM 0 HE2 LYS A 72 5.240 -1.009 12.121 1.00 73.55 H new ATOM 0 HE3 LYS A 72 4.894 -1.948 13.560 1.00 73.55 H new ATOM 0 HZ1 LYS A 72 6.319 -0.071 14.059 1.00 12.54 H new ATOM 0 HZ2 LYS A 72 7.151 -1.523 14.346 1.00 12.54 H new ATOM 0 HZ3 LYS A 72 7.486 -0.614 12.952 1.00 12.54 H new ATOM 1160 N VAL A 73 5.012 -3.936 8.146 1.00 53.40 N ATOM 1161 CA VAL A 73 3.848 -3.341 7.500 1.00 35.13 C ATOM 1162 C VAL A 73 2.618 -4.227 7.661 1.00 74.51 C ATOM 1163 O VAL A 73 1.484 -3.749 7.623 1.00 51.41 O ATOM 1164 CB VAL A 73 4.100 -3.099 6.000 1.00 21.32 C ATOM 1165 CG1 VAL A 73 2.799 -2.765 5.287 1.00 41.33 C ATOM 1166 CG2 VAL A 73 5.125 -1.992 5.805 1.00 60.44 C ATOM 0 H VAL A 73 5.824 -4.041 7.538 1.00 53.40 H new ATOM 0 HA VAL A 73 3.670 -2.384 7.989 1.00 35.13 H new ATOM 0 HB VAL A 73 4.500 -4.014 5.564 1.00 21.32 H new ATOM 0 HG11 VAL A 73 2.997 -2.597 4.228 1.00 41.33 H new ATOM 0 HG12 VAL A 73 2.100 -3.594 5.399 1.00 41.33 H new ATOM 0 HG13 VAL A 73 2.366 -1.864 5.722 1.00 41.33 H new ATOM 0 HG21 VAL A 73 5.291 -1.834 4.739 1.00 60.44 H new ATOM 0 HG22 VAL A 73 4.756 -1.071 6.255 1.00 60.44 H new ATOM 0 HG23 VAL A 73 6.063 -2.277 6.280 1.00 60.44 H new ATOM 1176 N LYS A 74 2.849 -5.523 7.841 1.00 34.43 N ATOM 1177 CA LYS A 74 1.760 -6.479 8.010 1.00 2.11 C ATOM 1178 C LYS A 74 0.978 -6.192 9.288 1.00 70.52 C ATOM 1179 O LYS A 74 -0.107 -6.735 9.497 1.00 71.00 O ATOM 1180 CB LYS A 74 2.309 -7.907 8.045 1.00 73.24 C ATOM 1181 CG LYS A 74 3.071 -8.297 6.790 1.00 54.44 C ATOM 1182 CD LYS A 74 2.699 -9.694 6.323 1.00 51.03 C ATOM 1183 CE LYS A 74 1.728 -9.651 5.153 1.00 54.10 C ATOM 1184 NZ LYS A 74 1.546 -10.993 4.533 1.00 1.40 N ATOM 0 H LYS A 74 3.781 -5.936 7.874 1.00 34.43 H new ATOM 0 HA LYS A 74 1.084 -6.377 7.161 1.00 2.11 H new ATOM 0 HB2 LYS A 74 2.967 -8.013 8.907 1.00 73.24 H new ATOM 0 HB3 LYS A 74 1.482 -8.602 8.188 1.00 73.24 H new ATOM 0 HG2 LYS A 74 2.860 -7.579 5.997 1.00 54.44 H new ATOM 0 HG3 LYS A 74 4.142 -8.251 6.985 1.00 54.44 H new ATOM 0 HD2 LYS A 74 3.600 -10.233 6.030 1.00 51.03 H new ATOM 0 HD3 LYS A 74 2.251 -10.247 7.148 1.00 51.03 H new ATOM 0 HE2 LYS A 74 0.764 -9.275 5.495 1.00 54.10 H new ATOM 0 HE3 LYS A 74 2.095 -8.951 4.402 1.00 54.10 H new ATOM 0 HZ1 LYS A 74 0.726 -10.972 3.894 1.00 1.40 H new ATOM 0 HZ2 LYS A 74 2.399 -11.245 3.994 1.00 1.40 H new ATOM 0 HZ3 LYS A 74 1.386 -11.701 5.278 1.00 1.40 H new ATOM 1198 N TRP A 75 1.535 -5.337 10.137 1.00 13.04 N ATOM 1199 CA TRP A 75 0.888 -4.978 11.394 1.00 14.22 C ATOM 1200 C TRP A 75 -0.360 -4.138 11.144 1.00 43.55 C ATOM 1201 O TRP A 75 -1.236 -4.039 12.003 1.00 51.33 O ATOM 1202 CB TRP A 75 1.861 -4.213 12.292 1.00 10.34 C ATOM 1203 CG TRP A 75 2.013 -2.771 11.912 1.00 74.15 C ATOM 1204 CD1 TRP A 75 2.090 -2.261 10.647 1.00 64.21 C ATOM 1205 CD2 TRP A 75 2.107 -1.655 12.803 1.00 53.41 C ATOM 1206 NE1 TRP A 75 2.227 -0.895 10.698 1.00 2.05 N ATOM 1207 CE2 TRP A 75 2.239 -0.498 12.009 1.00 21.15 C ATOM 1208 CE3 TRP A 75 2.090 -1.519 14.194 1.00 50.25 C ATOM 1209 CZ2 TRP A 75 2.355 0.774 12.563 1.00 40.35 C ATOM 1210 CZ3 TRP A 75 2.205 -0.255 14.741 1.00 65.31 C ATOM 1211 CH2 TRP A 75 2.336 0.878 13.927 1.00 72.21 C ATOM 0 H TRP A 75 2.433 -4.879 9.979 1.00 13.04 H new ATOM 0 HA TRP A 75 0.589 -5.898 11.895 1.00 14.22 H new ATOM 0 HB2 TRP A 75 1.516 -4.275 13.324 1.00 10.34 H new ATOM 0 HB3 TRP A 75 2.837 -4.696 12.252 1.00 10.34 H new ATOM 0 HD1 TRP A 75 2.049 -2.846 9.740 1.00 64.21 H new ATOM 0 HE1 TRP A 75 2.307 -0.277 9.891 1.00 2.05 H new ATOM 0 HE3 TRP A 75 1.989 -2.386 14.830 1.00 50.25 H new ATOM 0 HZ2 TRP A 75 2.456 1.649 11.937 1.00 40.35 H new ATOM 0 HZ3 TRP A 75 2.194 -0.138 15.815 1.00 65.31 H new ATOM 0 HH2 TRP A 75 2.424 1.852 14.385 1.00 72.21 H new ATOM 1222 N TYR A 76 -0.434 -3.534 9.962 1.00 23.24 N ATOM 1223 CA TYR A 76 -1.574 -2.700 9.600 1.00 23.42 C ATOM 1224 C TYR A 76 -2.376 -3.336 8.469 1.00 43.34 C ATOM 1225 O TYR A 76 -3.597 -3.473 8.558 1.00 44.24 O ATOM 1226 CB TYR A 76 -1.101 -1.306 9.185 1.00 61.20 C ATOM 1227 CG TYR A 76 -1.304 -0.255 10.253 1.00 63.03 C ATOM 1228 CD1 TYR A 76 -2.471 -0.217 11.005 1.00 51.40 C ATOM 1229 CD2 TYR A 76 -0.327 0.699 10.510 1.00 51.31 C ATOM 1230 CE1 TYR A 76 -2.661 0.742 11.981 1.00 42.51 C ATOM 1231 CE2 TYR A 76 -0.508 1.661 11.485 1.00 45.30 C ATOM 1232 CZ TYR A 76 -1.676 1.679 12.217 1.00 12.03 C ATOM 1233 OH TYR A 76 -1.861 2.635 13.190 1.00 43.24 O ATOM 0 H TYR A 76 0.282 -3.607 9.239 1.00 23.24 H new ATOM 0 HA TYR A 76 -2.220 -2.612 10.474 1.00 23.42 H new ATOM 0 HB2 TYR A 76 -0.043 -1.352 8.929 1.00 61.20 H new ATOM 0 HB3 TYR A 76 -1.634 -1.004 8.284 1.00 61.20 H new ATOM 0 HD1 TYR A 76 -3.243 -0.950 10.824 1.00 51.40 H new ATOM 0 HD2 TYR A 76 0.589 0.688 9.938 1.00 51.31 H new ATOM 0 HE1 TYR A 76 -3.575 0.758 12.556 1.00 42.51 H new ATOM 0 HE2 TYR A 76 0.262 2.395 11.673 1.00 45.30 H new ATOM 0 HH TYR A 76 -1.003 3.060 13.399 1.00 43.24 H new ATOM 1243 N LEU A 77 -1.681 -3.723 7.405 1.00 44.53 N ATOM 1244 CA LEU A 77 -2.326 -4.345 6.254 1.00 50.21 C ATOM 1245 C LEU A 77 -2.849 -5.733 6.608 1.00 71.33 C ATOM 1246 O LEU A 77 -3.907 -6.148 6.137 1.00 15.31 O ATOM 1247 CB LEU A 77 -1.345 -4.440 5.084 1.00 54.33 C ATOM 1248 CG LEU A 77 -0.997 -3.122 4.391 1.00 10.54 C ATOM 1249 CD1 LEU A 77 -0.054 -3.365 3.224 1.00 61.05 C ATOM 1250 CD2 LEU A 77 -2.261 -2.416 3.921 1.00 64.12 C ATOM 0 H LEU A 77 -0.670 -3.617 7.315 1.00 44.53 H new ATOM 0 HA LEU A 77 -3.171 -3.722 5.961 1.00 50.21 H new ATOM 0 HB2 LEU A 77 -0.422 -4.892 5.446 1.00 54.33 H new ATOM 0 HB3 LEU A 77 -1.762 -5.119 4.340 1.00 54.33 H new ATOM 0 HG LEU A 77 -0.492 -2.478 5.111 1.00 10.54 H new ATOM 0 HD11 LEU A 77 0.182 -2.416 2.743 1.00 61.05 H new ATOM 0 HD12 LEU A 77 0.864 -3.826 3.588 1.00 61.05 H new ATOM 0 HD13 LEU A 77 -0.531 -4.028 2.502 1.00 61.05 H new ATOM 0 HD21 LEU A 77 -1.994 -1.480 3.430 1.00 64.12 H new ATOM 0 HD22 LEU A 77 -2.795 -3.055 3.218 1.00 64.12 H new ATOM 0 HD23 LEU A 77 -2.901 -2.206 4.778 1.00 64.12 H new ATOM 1262 N GLY A 78 -2.100 -6.447 7.443 1.00 60.44 N ATOM 1263 CA GLY A 78 -2.505 -7.781 7.847 1.00 14.23 C ATOM 1264 C GLY A 78 -1.931 -8.859 6.950 1.00 42.21 C ATOM 1265 O GLY A 78 -1.661 -8.618 5.774 1.00 40.13 O ATOM 0 H GLY A 78 -1.220 -6.126 7.847 1.00 60.44 H new ATOM 0 HA2 GLY A 78 -2.185 -7.959 8.874 1.00 14.23 H new ATOM 0 HA3 GLY A 78 -3.593 -7.846 7.837 1.00 14.23 H new ATOM 1269 N ALA A 79 -1.742 -10.051 7.506 1.00 4.12 N ATOM 1270 CA ALA A 79 -1.196 -11.170 6.748 1.00 4.30 C ATOM 1271 C ALA A 79 -2.239 -11.753 5.802 1.00 74.03 C ATOM 1272 O ALA A 79 -1.900 -12.332 4.770 1.00 74.25 O ATOM 1273 CB ALA A 79 -0.677 -12.244 7.692 1.00 33.23 C ATOM 0 H ALA A 79 -1.959 -10.267 8.479 1.00 4.12 H new ATOM 0 HA ALA A 79 -0.366 -10.799 6.147 1.00 4.30 H new ATOM 0 HB1 ALA A 79 -0.272 -13.073 7.112 1.00 33.23 H new ATOM 0 HB2 ALA A 79 0.107 -11.826 8.323 1.00 33.23 H new ATOM 0 HB3 ALA A 79 -1.494 -12.603 8.318 1.00 33.23 H new ATOM 1279 N ARG A 80 -3.510 -11.597 6.160 1.00 25.14 N ATOM 1280 CA ARG A 80 -4.603 -12.110 5.344 1.00 64.44 C ATOM 1281 C ARG A 80 -4.479 -11.625 3.902 1.00 24.12 C ATOM 1282 O ARG A 80 -4.783 -12.359 2.961 1.00 20.23 O ATOM 1283 CB ARG A 80 -5.949 -11.676 5.925 1.00 74.30 C ATOM 1284 CG ARG A 80 -6.194 -12.180 7.338 1.00 25.11 C ATOM 1285 CD ARG A 80 -6.937 -13.507 7.336 1.00 52.41 C ATOM 1286 NE ARG A 80 -8.385 -13.323 7.273 1.00 44.54 N ATOM 1287 CZ ARG A 80 -9.127 -12.971 8.317 1.00 50.05 C ATOM 1288 NH1 ARG A 80 -8.561 -12.766 9.498 1.00 70.21 N ATOM 1289 NH2 ARG A 80 -10.439 -12.823 8.180 1.00 65.12 N ATOM 0 H ARG A 80 -3.808 -11.119 7.011 1.00 25.14 H new ATOM 0 HA ARG A 80 -4.547 -13.199 5.349 1.00 64.44 H new ATOM 0 HB2 ARG A 80 -6.002 -10.587 5.922 1.00 74.30 H new ATOM 0 HB3 ARG A 80 -6.748 -12.036 5.277 1.00 74.30 H new ATOM 0 HG2 ARG A 80 -5.241 -12.296 7.854 1.00 25.11 H new ATOM 0 HG3 ARG A 80 -6.770 -11.440 7.894 1.00 25.11 H new ATOM 0 HD2 ARG A 80 -6.610 -14.104 6.485 1.00 52.41 H new ATOM 0 HD3 ARG A 80 -6.681 -14.067 8.236 1.00 52.41 H new ATOM 0 HE ARG A 80 -8.852 -13.473 6.378 1.00 44.54 H new ATOM 0 HH11 ARG A 80 -7.553 -12.878 9.607 1.00 70.21 H new ATOM 0 HH12 ARG A 80 -9.133 -12.496 10.298 1.00 70.21 H new ATOM 0 HH21 ARG A 80 -10.878 -12.980 7.273 1.00 65.12 H new ATOM 0 HH22 ARG A 80 -11.008 -12.553 8.982 1.00 65.12 H new ATOM 1303 N CYS A 81 -4.031 -10.385 3.737 1.00 22.54 N ATOM 1304 CA CYS A 81 -3.868 -9.801 2.411 1.00 62.42 C ATOM 1305 C CYS A 81 -2.404 -9.822 1.984 1.00 4.41 C ATOM 1306 O CYS A 81 -1.505 -9.613 2.800 1.00 12.20 O ATOM 1307 CB CYS A 81 -4.397 -8.367 2.394 1.00 2.40 C ATOM 1308 SG CYS A 81 -3.353 -7.185 3.279 1.00 51.42 S ATOM 0 H CYS A 81 -3.774 -9.765 4.505 1.00 22.54 H new ATOM 0 HA CYS A 81 -4.442 -10.400 1.704 1.00 62.42 H new ATOM 0 HB2 CYS A 81 -4.500 -8.041 1.359 1.00 2.40 H new ATOM 0 HB3 CYS A 81 -5.395 -8.354 2.833 1.00 2.40 H new ATOM 0 HG CYS A 81 -3.859 -6.954 4.454 1.00 51.42 H new ATOM 1314 N HIS A 82 -2.170 -10.076 0.700 1.00 12.04 N ATOM 1315 CA HIS A 82 -0.814 -10.125 0.165 1.00 53.30 C ATOM 1316 C HIS A 82 -0.257 -8.718 -0.033 1.00 75.12 C ATOM 1317 O HIS A 82 -0.921 -7.853 -0.605 1.00 40.31 O ATOM 1318 CB HIS A 82 -0.794 -10.885 -1.161 1.00 71.42 C ATOM 1319 CG HIS A 82 0.584 -11.252 -1.621 1.00 14.53 C ATOM 1320 ND1 HIS A 82 1.500 -11.892 -0.814 1.00 64.44 N ATOM 1321 CD2 HIS A 82 1.198 -11.065 -2.812 1.00 43.31 C ATOM 1322 CE1 HIS A 82 2.620 -12.082 -1.489 1.00 61.33 C ATOM 1323 NE2 HIS A 82 2.463 -11.589 -2.705 1.00 33.54 N ATOM 0 H HIS A 82 -2.902 -10.251 0.011 1.00 12.04 H new ATOM 0 HA HIS A 82 -0.184 -10.648 0.885 1.00 53.30 H new ATOM 0 HB2 HIS A 82 -1.388 -11.793 -1.059 1.00 71.42 H new ATOM 0 HB3 HIS A 82 -1.273 -10.275 -1.927 1.00 71.42 H new ATOM 0 HD2 HIS A 82 0.773 -10.592 -3.685 1.00 43.31 H new ATOM 0 HE1 HIS A 82 3.512 -12.559 -1.111 1.00 61.33 H new ATOM 0 HE2 HIS A 82 3.166 -11.596 -3.444 1.00 33.54 H new ATOM 1331 N ILE A 83 0.963 -8.498 0.444 1.00 50.45 N ATOM 1332 CA ILE A 83 1.608 -7.196 0.318 1.00 30.51 C ATOM 1333 C ILE A 83 2.805 -7.265 -0.625 1.00 14.33 C ATOM 1334 O ILE A 83 3.597 -8.204 -0.570 1.00 20.42 O ATOM 1335 CB ILE A 83 2.076 -6.666 1.686 1.00 1.01 C ATOM 1336 CG1 ILE A 83 1.075 -7.051 2.777 1.00 75.12 C ATOM 1337 CG2 ILE A 83 2.257 -5.156 1.635 1.00 62.31 C ATOM 1338 CD1 ILE A 83 1.424 -6.497 4.140 1.00 35.35 C ATOM 0 H ILE A 83 1.525 -9.203 0.921 1.00 50.45 H new ATOM 0 HA ILE A 83 0.864 -6.513 -0.092 1.00 30.51 H new ATOM 0 HB ILE A 83 3.038 -7.120 1.925 1.00 1.01 H new ATOM 0 HG12 ILE A 83 0.085 -6.696 2.492 1.00 75.12 H new ATOM 0 HG13 ILE A 83 1.018 -8.138 2.839 1.00 75.12 H new ATOM 0 HG21 ILE A 83 2.588 -4.796 2.609 1.00 62.31 H new ATOM 0 HG22 ILE A 83 3.004 -4.904 0.882 1.00 62.31 H new ATOM 0 HG23 ILE A 83 1.309 -4.684 1.377 1.00 62.31 H new ATOM 0 HD11 ILE A 83 0.671 -6.810 4.864 1.00 35.35 H new ATOM 0 HD12 ILE A 83 2.400 -6.873 4.446 1.00 35.35 H new ATOM 0 HD13 ILE A 83 1.453 -5.408 4.094 1.00 35.35 H new ATOM 1350 N GLU A 84 2.929 -6.261 -1.488 1.00 22.24 N ATOM 1351 CA GLU A 84 4.030 -6.207 -2.442 1.00 25.51 C ATOM 1352 C GLU A 84 4.582 -4.789 -2.556 1.00 64.44 C ATOM 1353 O GLU A 84 3.945 -3.826 -2.130 1.00 21.20 O ATOM 1354 CB GLU A 84 3.569 -6.699 -3.815 1.00 70.43 C ATOM 1355 CG GLU A 84 4.030 -8.109 -4.143 1.00 65.45 C ATOM 1356 CD GLU A 84 5.001 -8.149 -5.308 1.00 23.44 C ATOM 1357 OE1 GLU A 84 4.721 -7.502 -6.337 1.00 54.55 O ATOM 1358 OE2 GLU A 84 6.042 -8.829 -5.188 1.00 43.10 O ATOM 0 H GLU A 84 2.281 -5.475 -1.546 1.00 22.24 H new ATOM 0 HA GLU A 84 4.824 -6.859 -2.079 1.00 25.51 H new ATOM 0 HB2 GLU A 84 2.480 -6.663 -3.858 1.00 70.43 H new ATOM 0 HB3 GLU A 84 3.941 -6.017 -4.580 1.00 70.43 H new ATOM 0 HG2 GLU A 84 4.504 -8.546 -3.264 1.00 65.45 H new ATOM 0 HG3 GLU A 84 3.162 -8.726 -4.377 1.00 65.45 H new ATOM 1365 N LYS A 85 5.772 -4.669 -3.135 1.00 65.10 N ATOM 1366 CA LYS A 85 6.412 -3.370 -3.307 1.00 61.35 C ATOM 1367 C LYS A 85 5.883 -2.664 -4.551 1.00 55.23 C ATOM 1368 O LYS A 85 5.793 -3.260 -5.624 1.00 41.32 O ATOM 1369 CB LYS A 85 7.930 -3.536 -3.409 1.00 41.25 C ATOM 1370 CG LYS A 85 8.573 -4.049 -2.133 1.00 2.34 C ATOM 1371 CD LYS A 85 10.011 -4.481 -2.367 1.00 11.11 C ATOM 1372 CE LYS A 85 10.284 -5.854 -1.772 1.00 3.44 C ATOM 1373 NZ LYS A 85 9.809 -6.949 -2.661 1.00 53.25 N ATOM 0 H LYS A 85 6.313 -5.456 -3.493 1.00 65.10 H new ATOM 0 HA LYS A 85 6.177 -2.759 -2.436 1.00 61.35 H new ATOM 0 HB2 LYS A 85 8.158 -4.224 -4.223 1.00 41.25 H new ATOM 0 HB3 LYS A 85 8.375 -2.576 -3.670 1.00 41.25 H new ATOM 0 HG2 LYS A 85 8.546 -3.269 -1.372 1.00 2.34 H new ATOM 0 HG3 LYS A 85 7.998 -4.891 -1.748 1.00 2.34 H new ATOM 0 HD2 LYS A 85 10.217 -4.500 -3.437 1.00 11.11 H new ATOM 0 HD3 LYS A 85 10.688 -3.750 -1.925 1.00 11.11 H new ATOM 0 HE2 LYS A 85 11.354 -5.967 -1.596 1.00 3.44 H new ATOM 0 HE3 LYS A 85 9.792 -5.934 -0.803 1.00 3.44 H new ATOM 0 HZ1 LYS A 85 10.014 -7.868 -2.219 1.00 53.25 H new ATOM 0 HZ2 LYS A 85 8.784 -6.856 -2.808 1.00 53.25 H new ATOM 0 HZ3 LYS A 85 10.297 -6.889 -3.577 1.00 53.25 H new ATOM 1387 N ALA A 86 5.534 -1.390 -4.400 1.00 21.33 N ATOM 1388 CA ALA A 86 5.017 -0.602 -5.512 1.00 20.24 C ATOM 1389 C ALA A 86 6.150 0.055 -6.292 1.00 41.13 C ATOM 1390 O ALA A 86 7.251 0.238 -5.773 1.00 43.51 O ATOM 1391 CB ALA A 86 4.043 0.451 -5.004 1.00 71.32 C ATOM 0 H ALA A 86 5.600 -0.882 -3.518 1.00 21.33 H new ATOM 0 HA ALA A 86 4.488 -1.274 -6.188 1.00 20.24 H new ATOM 0 HB1 ALA A 86 3.665 1.032 -5.845 1.00 71.32 H new ATOM 0 HB2 ALA A 86 3.211 -0.037 -4.497 1.00 71.32 H new ATOM 0 HB3 ALA A 86 4.555 1.114 -4.306 1.00 71.32 H new ATOM 1397 N LYS A 87 5.874 0.408 -7.543 1.00 74.42 N ATOM 1398 CA LYS A 87 6.869 1.045 -8.397 1.00 10.43 C ATOM 1399 C LYS A 87 6.212 2.039 -9.350 1.00 22.31 C ATOM 1400 O LYS A 87 5.111 1.803 -9.846 1.00 65.32 O ATOM 1401 CB LYS A 87 7.639 -0.010 -9.194 1.00 32.02 C ATOM 1402 CG LYS A 87 6.837 -0.617 -10.332 1.00 31.42 C ATOM 1403 CD LYS A 87 7.666 -1.608 -11.132 1.00 21.25 C ATOM 1404 CE LYS A 87 6.803 -2.405 -12.098 1.00 43.44 C ATOM 1405 NZ LYS A 87 7.613 -3.356 -12.910 1.00 15.24 N ATOM 0 H LYS A 87 4.968 0.263 -7.988 1.00 74.42 H new ATOM 0 HA LYS A 87 7.566 1.587 -7.758 1.00 10.43 H new ATOM 0 HB2 LYS A 87 8.544 0.442 -9.599 1.00 32.02 H new ATOM 0 HB3 LYS A 87 7.955 -0.805 -8.518 1.00 32.02 H new ATOM 0 HG2 LYS A 87 5.956 -1.118 -9.931 1.00 31.42 H new ATOM 0 HG3 LYS A 87 6.480 0.175 -10.990 1.00 31.42 H new ATOM 0 HD2 LYS A 87 8.437 -1.074 -11.687 1.00 21.25 H new ATOM 0 HD3 LYS A 87 8.177 -2.289 -10.452 1.00 21.25 H new ATOM 0 HE2 LYS A 87 6.047 -2.957 -11.539 1.00 43.44 H new ATOM 0 HE3 LYS A 87 6.273 -1.721 -12.761 1.00 43.44 H new ATOM 0 HZ1 LYS A 87 6.989 -3.880 -13.556 1.00 15.24 H new ATOM 0 HZ2 LYS A 87 8.318 -2.828 -13.463 1.00 15.24 H new ATOM 0 HZ3 LYS A 87 8.099 -4.025 -12.279 1.00 15.24 H new ATOM 1419 N GLY A 88 6.896 3.151 -9.603 1.00 22.42 N ATOM 1420 CA GLY A 88 6.364 4.162 -10.497 1.00 73.10 C ATOM 1421 C GLY A 88 6.173 5.500 -9.811 1.00 32.01 C ATOM 1422 O GLY A 88 6.847 5.804 -8.826 1.00 71.21 O ATOM 0 H GLY A 88 7.809 3.369 -9.204 1.00 22.42 H new ATOM 0 HA2 GLY A 88 7.039 4.285 -11.344 1.00 73.10 H new ATOM 0 HA3 GLY A 88 5.409 3.823 -10.897 1.00 73.10 H new ATOM 1426 N THR A 89 5.252 6.305 -10.332 1.00 72.34 N ATOM 1427 CA THR A 89 4.976 7.619 -9.766 1.00 30.22 C ATOM 1428 C THR A 89 3.561 7.689 -9.204 1.00 13.23 C ATOM 1429 O THR A 89 2.778 6.750 -9.348 1.00 51.01 O ATOM 1430 CB THR A 89 5.155 8.732 -10.815 1.00 63.03 C ATOM 1431 OG1 THR A 89 4.082 8.690 -11.763 1.00 24.44 O ATOM 1432 CG2 THR A 89 6.485 8.583 -11.540 1.00 14.40 C ATOM 0 H THR A 89 4.684 6.069 -11.146 1.00 72.34 H new ATOM 0 HA THR A 89 5.693 7.772 -8.959 1.00 30.22 H new ATOM 0 HB THR A 89 5.145 9.692 -10.299 1.00 63.03 H new ATOM 0 HG1 THR A 89 4.203 9.402 -12.425 1.00 24.44 H new ATOM 0 HG21 THR A 89 6.589 9.380 -12.276 1.00 14.40 H new ATOM 0 HG22 THR A 89 7.301 8.645 -10.820 1.00 14.40 H new ATOM 0 HG23 THR A 89 6.518 7.617 -12.044 1.00 14.40 H new ATOM 1440 N ASP A 90 3.239 8.808 -8.563 1.00 75.45 N ATOM 1441 CA ASP A 90 1.916 9.001 -7.981 1.00 13.21 C ATOM 1442 C ASP A 90 0.825 8.781 -9.024 1.00 51.35 C ATOM 1443 O ASP A 90 -0.222 8.205 -8.729 1.00 43.23 O ATOM 1444 CB ASP A 90 1.796 10.406 -7.389 1.00 5.33 C ATOM 1445 CG ASP A 90 0.354 10.836 -7.204 1.00 44.43 C ATOM 1446 OD1 ASP A 90 -0.350 10.213 -6.383 1.00 62.12 O ATOM 1447 OD2 ASP A 90 -0.070 11.796 -7.882 1.00 32.01 O ATOM 0 H ASP A 90 3.876 9.594 -8.434 1.00 75.45 H new ATOM 0 HA ASP A 90 1.786 8.267 -7.186 1.00 13.21 H new ATOM 0 HB2 ASP A 90 2.307 10.436 -6.427 1.00 5.33 H new ATOM 0 HB3 ASP A 90 2.303 11.117 -8.042 1.00 5.33 H new ATOM 1452 N GLN A 91 1.078 9.245 -10.244 1.00 53.21 N ATOM 1453 CA GLN A 91 0.116 9.100 -11.330 1.00 51.44 C ATOM 1454 C GLN A 91 -0.013 7.641 -11.753 1.00 22.54 C ATOM 1455 O GLN A 91 -1.097 7.182 -12.110 1.00 15.10 O ATOM 1456 CB GLN A 91 0.535 9.955 -12.528 1.00 31.10 C ATOM 1457 CG GLN A 91 -0.626 10.358 -13.424 1.00 25.24 C ATOM 1458 CD GLN A 91 -1.492 11.437 -12.806 1.00 34.04 C ATOM 1459 OE1 GLN A 91 -0.993 12.348 -12.144 1.00 61.32 O ATOM 1460 NE2 GLN A 91 -2.800 11.341 -13.018 1.00 64.23 N ATOM 0 H GLN A 91 1.940 9.724 -10.505 1.00 53.21 H new ATOM 0 HA GLN A 91 -0.854 9.442 -10.969 1.00 51.44 H new ATOM 0 HB2 GLN A 91 1.033 10.855 -12.165 1.00 31.10 H new ATOM 0 HB3 GLN A 91 1.265 9.403 -13.120 1.00 31.10 H new ATOM 0 HG2 GLN A 91 -0.237 10.712 -14.379 1.00 25.24 H new ATOM 0 HG3 GLN A 91 -1.239 9.482 -13.634 1.00 25.24 H new ATOM 0 HE21 GLN A 91 -3.172 10.570 -13.573 1.00 64.23 H new ATOM 0 HE22 GLN A 91 -3.433 12.039 -12.626 1.00 64.23 H new ATOM 1469 N GLN A 92 1.101 6.917 -11.709 1.00 20.41 N ATOM 1470 CA GLN A 92 1.112 5.509 -12.088 1.00 72.22 C ATOM 1471 C GLN A 92 0.367 4.662 -11.061 1.00 1.50 C ATOM 1472 O GLN A 92 -0.376 3.749 -11.417 1.00 21.23 O ATOM 1473 CB GLN A 92 2.550 5.009 -12.232 1.00 62.42 C ATOM 1474 CG GLN A 92 3.366 5.787 -13.251 1.00 50.44 C ATOM 1475 CD GLN A 92 4.423 4.936 -13.927 1.00 31.14 C ATOM 1476 OE1 GLN A 92 4.107 3.987 -14.644 1.00 74.25 O ATOM 1477 NE2 GLN A 92 5.688 5.271 -13.700 1.00 14.33 N ATOM 0 H GLN A 92 2.007 7.282 -11.415 1.00 20.41 H new ATOM 0 HA GLN A 92 0.604 5.414 -13.048 1.00 72.22 H new ATOM 0 HB2 GLN A 92 3.045 5.067 -11.262 1.00 62.42 H new ATOM 0 HB3 GLN A 92 2.533 3.958 -12.519 1.00 62.42 H new ATOM 0 HG2 GLN A 92 2.698 6.198 -14.008 1.00 50.44 H new ATOM 0 HG3 GLN A 92 3.847 6.632 -12.757 1.00 50.44 H new ATOM 0 HE21 GLN A 92 5.905 6.066 -13.099 1.00 14.33 H new ATOM 0 HE22 GLN A 92 6.442 4.734 -14.127 1.00 14.33 H new ATOM 1486 N ASN A 93 0.572 4.973 -9.785 1.00 42.11 N ATOM 1487 CA ASN A 93 -0.079 4.240 -8.706 1.00 14.13 C ATOM 1488 C ASN A 93 -1.540 4.659 -8.568 1.00 1.02 C ATOM 1489 O ASN A 93 -2.424 3.820 -8.394 1.00 55.43 O ATOM 1490 CB ASN A 93 0.657 4.474 -7.385 1.00 51.31 C ATOM 1491 CG ASN A 93 1.933 3.662 -7.283 1.00 22.23 C ATOM 1492 OD1 ASN A 93 2.212 3.051 -6.251 1.00 61.30 O ATOM 1493 ND2 ASN A 93 2.716 3.652 -8.356 1.00 32.15 N ATOM 0 H ASN A 93 1.184 5.727 -9.473 1.00 42.11 H new ATOM 0 HA ASN A 93 -0.045 3.178 -8.950 1.00 14.13 H new ATOM 0 HB2 ASN A 93 0.895 5.533 -7.287 1.00 51.31 H new ATOM 0 HB3 ASN A 93 -0.001 4.217 -6.555 1.00 51.31 H new ATOM 0 HD21 ASN A 93 3.588 3.123 -8.346 1.00 32.15 H new ATOM 0 HD22 ASN A 93 2.445 4.173 -9.190 1.00 32.15 H new ATOM 1500 N LYS A 94 -1.786 5.962 -8.647 1.00 3.41 N ATOM 1501 CA LYS A 94 -3.138 6.495 -8.533 1.00 74.41 C ATOM 1502 C LYS A 94 -4.028 5.964 -9.653 1.00 21.11 C ATOM 1503 O LYS A 94 -5.149 5.519 -9.409 1.00 1.33 O ATOM 1504 CB LYS A 94 -3.112 8.024 -8.570 1.00 45.35 C ATOM 1505 CG LYS A 94 -4.440 8.665 -8.208 1.00 52.03 C ATOM 1506 CD LYS A 94 -4.958 9.548 -9.331 1.00 41.03 C ATOM 1507 CE LYS A 94 -3.994 10.685 -9.636 1.00 71.52 C ATOM 1508 NZ LYS A 94 -4.712 11.944 -9.978 1.00 62.44 N ATOM 0 H LYS A 94 -1.065 6.670 -8.790 1.00 3.41 H new ATOM 0 HA LYS A 94 -3.550 6.169 -7.578 1.00 74.41 H new ATOM 0 HB2 LYS A 94 -2.346 8.382 -7.882 1.00 45.35 H new ATOM 0 HB3 LYS A 94 -2.821 8.350 -9.569 1.00 45.35 H new ATOM 0 HG2 LYS A 94 -5.172 7.888 -7.988 1.00 52.03 H new ATOM 0 HG3 LYS A 94 -4.323 9.259 -7.301 1.00 52.03 H new ATOM 0 HD2 LYS A 94 -5.109 8.947 -10.228 1.00 41.03 H new ATOM 0 HD3 LYS A 94 -5.930 9.958 -9.055 1.00 41.03 H new ATOM 0 HE2 LYS A 94 -3.350 10.857 -8.773 1.00 71.52 H new ATOM 0 HE3 LYS A 94 -3.346 10.400 -10.465 1.00 71.52 H new ATOM 0 HZ1 LYS A 94 -4.021 12.694 -10.179 1.00 62.44 H new ATOM 0 HZ2 LYS A 94 -5.307 11.788 -10.817 1.00 62.44 H new ATOM 0 HZ3 LYS A 94 -5.311 12.231 -9.177 1.00 62.44 H new ATOM 1522 N GLU A 95 -3.519 6.013 -10.880 1.00 72.42 N ATOM 1523 CA GLU A 95 -4.269 5.536 -12.036 1.00 63.45 C ATOM 1524 C GLU A 95 -4.414 4.017 -12.002 1.00 64.11 C ATOM 1525 O GLU A 95 -5.440 3.471 -12.407 1.00 14.11 O ATOM 1526 CB GLU A 95 -3.577 5.964 -13.332 1.00 71.35 C ATOM 1527 CG GLU A 95 -3.660 7.457 -13.602 1.00 72.32 C ATOM 1528 CD GLU A 95 -4.701 7.803 -14.649 1.00 14.44 C ATOM 1529 OE1 GLU A 95 -4.669 7.200 -15.741 1.00 50.14 O ATOM 1530 OE2 GLU A 95 -5.549 8.679 -14.374 1.00 32.51 O ATOM 0 H GLU A 95 -2.592 6.378 -11.099 1.00 72.42 H new ATOM 0 HA GLU A 95 -5.264 5.979 -12.000 1.00 63.45 H new ATOM 0 HB2 GLU A 95 -2.529 5.669 -13.289 1.00 71.35 H new ATOM 0 HB3 GLU A 95 -4.025 5.427 -14.168 1.00 71.35 H new ATOM 0 HG2 GLU A 95 -3.896 7.978 -12.674 1.00 72.32 H new ATOM 0 HG3 GLU A 95 -2.685 7.818 -13.931 1.00 72.32 H new ATOM 1537 N TYR A 96 -3.378 3.341 -11.517 1.00 34.22 N ATOM 1538 CA TYR A 96 -3.388 1.885 -11.432 1.00 51.21 C ATOM 1539 C TYR A 96 -4.576 1.395 -10.609 1.00 5.31 C ATOM 1540 O TYR A 96 -5.288 0.476 -11.013 1.00 72.21 O ATOM 1541 CB TYR A 96 -2.083 1.381 -10.815 1.00 24.41 C ATOM 1542 CG TYR A 96 -2.056 -0.115 -10.592 1.00 52.35 C ATOM 1543 CD1 TYR A 96 -2.533 -0.669 -9.411 1.00 74.42 C ATOM 1544 CD2 TYR A 96 -1.553 -0.973 -11.563 1.00 14.34 C ATOM 1545 CE1 TYR A 96 -2.511 -2.035 -9.203 1.00 42.10 C ATOM 1546 CE2 TYR A 96 -1.528 -2.339 -11.364 1.00 32.43 C ATOM 1547 CZ TYR A 96 -2.008 -2.866 -10.182 1.00 43.34 C ATOM 1548 OH TYR A 96 -1.983 -4.227 -9.980 1.00 10.41 O ATOM 0 H TYR A 96 -2.521 3.778 -11.177 1.00 34.22 H new ATOM 0 HA TYR A 96 -3.482 1.488 -12.443 1.00 51.21 H new ATOM 0 HB2 TYR A 96 -1.253 1.658 -11.465 1.00 24.41 H new ATOM 0 HB3 TYR A 96 -1.923 1.885 -9.862 1.00 24.41 H new ATOM 0 HD1 TYR A 96 -2.928 -0.021 -8.642 1.00 74.42 H new ATOM 0 HD2 TYR A 96 -1.175 -0.564 -12.489 1.00 14.34 H new ATOM 0 HE1 TYR A 96 -2.886 -2.450 -8.279 1.00 42.10 H new ATOM 0 HE2 TYR A 96 -1.135 -2.992 -12.129 1.00 32.43 H new ATOM 0 HH TYR A 96 -2.426 -4.440 -9.132 1.00 10.41 H new ATOM 1558 N CYS A 97 -4.782 2.016 -9.453 1.00 41.40 N ATOM 1559 CA CYS A 97 -5.883 1.645 -8.571 1.00 63.22 C ATOM 1560 C CYS A 97 -7.226 2.005 -9.197 1.00 71.12 C ATOM 1561 O CYS A 97 -8.216 1.294 -9.019 1.00 45.45 O ATOM 1562 CB CYS A 97 -5.735 2.339 -7.217 1.00 12.15 C ATOM 1563 SG CYS A 97 -4.248 1.866 -6.303 1.00 14.03 S ATOM 0 H CYS A 97 -4.201 2.779 -9.105 1.00 41.40 H new ATOM 0 HA CYS A 97 -5.850 0.566 -8.423 1.00 63.22 H new ATOM 0 HB2 CYS A 97 -5.725 3.418 -7.373 1.00 12.15 H new ATOM 0 HB3 CYS A 97 -6.610 2.113 -6.608 1.00 12.15 H new ATOM 0 HG CYS A 97 -3.215 2.467 -6.814 1.00 14.03 H new ATOM 1569 N SER A 98 -7.254 3.114 -9.929 1.00 63.03 N ATOM 1570 CA SER A 98 -8.477 3.572 -10.577 1.00 70.14 C ATOM 1571 C SER A 98 -8.748 2.776 -11.851 1.00 2.42 C ATOM 1572 O SER A 98 -9.836 2.848 -12.423 1.00 3.23 O ATOM 1573 CB SER A 98 -8.378 5.063 -10.905 1.00 72.04 C ATOM 1574 OG SER A 98 -9.657 5.612 -11.175 1.00 65.43 O ATOM 0 H SER A 98 -6.443 3.712 -10.088 1.00 63.03 H new ATOM 0 HA SER A 98 -9.306 3.413 -9.887 1.00 70.14 H new ATOM 0 HB2 SER A 98 -7.920 5.593 -10.069 1.00 72.04 H new ATOM 0 HB3 SER A 98 -7.728 5.206 -11.768 1.00 72.04 H new ATOM 0 HG SER A 98 -10.212 4.942 -11.625 1.00 65.43 H new ATOM 1580 N LYS A 99 -7.750 2.017 -12.290 1.00 44.40 N ATOM 1581 CA LYS A 99 -7.878 1.206 -13.495 1.00 5.12 C ATOM 1582 C LYS A 99 -9.051 0.239 -13.378 1.00 14.24 C ATOM 1583 O LYS A 99 -9.578 -0.236 -14.383 1.00 51.31 O ATOM 1584 CB LYS A 99 -6.585 0.427 -13.750 1.00 11.24 C ATOM 1585 CG LYS A 99 -6.632 -0.437 -14.998 1.00 21.24 C ATOM 1586 CD LYS A 99 -5.372 -1.274 -15.144 1.00 41.10 C ATOM 1587 CE LYS A 99 -5.218 -2.256 -13.993 1.00 1.34 C ATOM 1588 NZ LYS A 99 -4.873 -3.623 -14.472 1.00 2.21 N ATOM 0 H LYS A 99 -6.843 1.946 -11.829 1.00 44.40 H new ATOM 0 HA LYS A 99 -8.064 1.875 -14.335 1.00 5.12 H new ATOM 0 HB2 LYS A 99 -5.758 1.131 -13.837 1.00 11.24 H new ATOM 0 HB3 LYS A 99 -6.376 -0.206 -12.888 1.00 11.24 H new ATOM 0 HG2 LYS A 99 -7.502 -1.092 -14.956 1.00 21.24 H new ATOM 0 HG3 LYS A 99 -6.753 0.197 -15.876 1.00 21.24 H new ATOM 0 HD2 LYS A 99 -5.404 -1.820 -16.087 1.00 41.10 H new ATOM 0 HD3 LYS A 99 -4.502 -0.619 -15.184 1.00 41.10 H new ATOM 0 HE2 LYS A 99 -4.441 -1.902 -13.315 1.00 1.34 H new ATOM 0 HE3 LYS A 99 -6.146 -2.295 -13.422 1.00 1.34 H new ATOM 0 HZ1 LYS A 99 -4.777 -4.262 -13.657 1.00 2.21 H new ATOM 0 HZ2 LYS A 99 -5.626 -3.972 -15.099 1.00 2.21 H new ATOM 0 HZ3 LYS A 99 -3.975 -3.591 -14.995 1.00 2.21 H new ATOM 1602 N GLU A 100 -9.456 -0.046 -12.144 1.00 35.11 N ATOM 1603 CA GLU A 100 -10.569 -0.956 -11.897 1.00 41.02 C ATOM 1604 C GLU A 100 -11.897 -0.305 -12.272 1.00 34.23 C ATOM 1605 O GLU A 100 -12.908 -0.986 -12.442 1.00 12.51 O ATOM 1606 CB GLU A 100 -10.593 -1.381 -10.427 1.00 41.24 C ATOM 1607 CG GLU A 100 -9.226 -1.752 -9.879 1.00 5.14 C ATOM 1608 CD GLU A 100 -8.511 -2.778 -10.737 1.00 12.21 C ATOM 1609 OE1 GLU A 100 -8.063 -2.416 -11.845 1.00 24.53 O ATOM 1610 OE2 GLU A 100 -8.401 -3.943 -10.300 1.00 1.42 O ATOM 0 H GLU A 100 -9.031 0.340 -11.301 1.00 35.11 H new ATOM 0 HA GLU A 100 -10.428 -1.839 -12.520 1.00 41.02 H new ATOM 0 HB2 GLU A 100 -11.007 -0.569 -9.829 1.00 41.24 H new ATOM 0 HB3 GLU A 100 -11.264 -2.233 -10.315 1.00 41.24 H new ATOM 0 HG2 GLU A 100 -8.612 -0.854 -9.806 1.00 5.14 H new ATOM 0 HG3 GLU A 100 -9.338 -2.144 -8.868 1.00 5.14 H new ATOM 1617 N GLY A 101 -11.887 1.018 -12.398 1.00 3.53 N ATOM 1618 CA GLY A 101 -13.096 1.740 -12.750 1.00 64.22 C ATOM 1619 C GLY A 101 -13.949 2.068 -11.541 1.00 23.52 C ATOM 1620 O GLY A 101 -14.931 2.800 -11.646 1.00 74.04 O ATOM 0 H GLY A 101 -11.063 1.603 -12.263 1.00 3.53 H new ATOM 0 HA2 GLY A 101 -12.827 2.664 -13.263 1.00 64.22 H new ATOM 0 HA3 GLY A 101 -13.680 1.144 -13.452 1.00 64.22 H new ATOM 1624 N ASN A 102 -13.573 1.522 -10.388 1.00 52.24 N ATOM 1625 CA ASN A 102 -14.313 1.759 -9.154 1.00 23.01 C ATOM 1626 C ASN A 102 -13.363 2.084 -8.005 1.00 12.32 C ATOM 1627 O ASN A 102 -12.456 1.310 -7.696 1.00 52.13 O ATOM 1628 CB ASN A 102 -15.160 0.535 -8.800 1.00 2.15 C ATOM 1629 CG ASN A 102 -16.647 0.823 -8.865 1.00 33.14 C ATOM 1630 OD1 ASN A 102 -17.167 1.232 -9.903 1.00 62.42 O ATOM 1631 ND2 ASN A 102 -17.340 0.610 -7.752 1.00 11.52 N ATOM 0 H ASN A 102 -12.761 0.913 -10.283 1.00 52.24 H new ATOM 0 HA ASN A 102 -14.971 2.614 -9.312 1.00 23.01 H new ATOM 0 HB2 ASN A 102 -14.920 -0.279 -9.484 1.00 2.15 H new ATOM 0 HB3 ASN A 102 -14.902 0.196 -7.797 1.00 2.15 H new ATOM 0 HD21 ASN A 102 -18.345 0.786 -7.735 1.00 11.52 H new ATOM 0 HD22 ASN A 102 -16.868 0.270 -6.914 1.00 11.52 H new ATOM 1638 N LEU A 103 -13.578 3.234 -7.374 1.00 73.45 N ATOM 1639 CA LEU A 103 -12.742 3.662 -6.258 1.00 54.13 C ATOM 1640 C LEU A 103 -13.336 3.209 -4.928 1.00 52.42 C ATOM 1641 O LEU A 103 -14.549 3.276 -4.723 1.00 21.52 O ATOM 1642 CB LEU A 103 -12.585 5.184 -6.268 1.00 20.40 C ATOM 1643 CG LEU A 103 -11.160 5.710 -6.446 1.00 74.12 C ATOM 1644 CD1 LEU A 103 -10.333 5.444 -5.198 1.00 52.30 C ATOM 1645 CD2 LEU A 103 -10.507 5.077 -7.666 1.00 42.01 C ATOM 0 H LEU A 103 -14.324 3.886 -7.616 1.00 73.45 H new ATOM 0 HA LEU A 103 -11.761 3.201 -6.372 1.00 54.13 H new ATOM 0 HB2 LEU A 103 -13.203 5.588 -7.070 1.00 20.40 H new ATOM 0 HB3 LEU A 103 -12.982 5.576 -5.332 1.00 20.40 H new ATOM 0 HG LEU A 103 -11.208 6.788 -6.602 1.00 74.12 H new ATOM 0 HD11 LEU A 103 -9.322 5.825 -5.343 1.00 52.30 H new ATOM 0 HD12 LEU A 103 -10.791 5.945 -4.345 1.00 52.30 H new ATOM 0 HD13 LEU A 103 -10.293 4.371 -5.010 1.00 52.30 H new ATOM 0 HD21 LEU A 103 -9.494 5.463 -7.778 1.00 42.01 H new ATOM 0 HD22 LEU A 103 -10.472 3.995 -7.539 1.00 42.01 H new ATOM 0 HD23 LEU A 103 -11.087 5.319 -8.556 1.00 42.01 H new ATOM 1657 N LEU A 104 -12.474 2.751 -4.027 1.00 14.41 N ATOM 1658 CA LEU A 104 -12.913 2.290 -2.714 1.00 60.35 C ATOM 1659 C LEU A 104 -12.563 3.308 -1.634 1.00 54.11 C ATOM 1660 O LEU A 104 -13.275 3.441 -0.639 1.00 55.22 O ATOM 1661 CB LEU A 104 -12.271 0.940 -2.386 1.00 54.41 C ATOM 1662 CG LEU A 104 -12.906 0.158 -1.236 1.00 60.40 C ATOM 1663 CD1 LEU A 104 -14.359 -0.165 -1.547 1.00 53.45 C ATOM 1664 CD2 LEU A 104 -12.122 -1.118 -0.962 1.00 41.53 C ATOM 0 H LEU A 104 -11.468 2.689 -4.181 1.00 14.41 H new ATOM 0 HA LEU A 104 -13.997 2.174 -2.740 1.00 60.35 H new ATOM 0 HB2 LEU A 104 -12.300 0.319 -3.281 1.00 54.41 H new ATOM 0 HB3 LEU A 104 -11.220 1.108 -2.149 1.00 54.41 H new ATOM 0 HG LEU A 104 -12.877 0.779 -0.341 1.00 60.40 H new ATOM 0 HD11 LEU A 104 -14.794 -0.722 -0.717 1.00 53.45 H new ATOM 0 HD12 LEU A 104 -14.914 0.761 -1.693 1.00 53.45 H new ATOM 0 HD13 LEU A 104 -14.412 -0.767 -2.454 1.00 53.45 H new ATOM 0 HD21 LEU A 104 -12.588 -1.662 -0.140 1.00 41.53 H new ATOM 0 HD22 LEU A 104 -12.119 -1.742 -1.855 1.00 41.53 H new ATOM 0 HD23 LEU A 104 -11.096 -0.864 -0.694 1.00 41.53 H new ATOM 1676 N MET A 105 -11.464 4.026 -1.838 1.00 62.04 N ATOM 1677 CA MET A 105 -11.022 5.035 -0.883 1.00 11.30 C ATOM 1678 C MET A 105 -10.089 6.042 -1.548 1.00 54.43 C ATOM 1679 O MET A 105 -9.203 5.668 -2.315 1.00 71.32 O ATOM 1680 CB MET A 105 -10.315 4.373 0.301 1.00 32.20 C ATOM 1681 CG MET A 105 -9.412 5.318 1.076 1.00 1.40 C ATOM 1682 SD MET A 105 -9.436 5.003 2.851 1.00 11.22 S ATOM 1683 CE MET A 105 -8.021 3.919 3.022 1.00 45.21 C ATOM 0 H MET A 105 -10.863 3.928 -2.656 1.00 62.04 H new ATOM 0 HA MET A 105 -11.902 5.566 -0.521 1.00 11.30 H new ATOM 0 HB2 MET A 105 -11.064 3.963 0.978 1.00 32.20 H new ATOM 0 HB3 MET A 105 -9.722 3.534 -0.063 1.00 32.20 H new ATOM 0 HG2 MET A 105 -8.391 5.222 0.708 1.00 1.40 H new ATOM 0 HG3 MET A 105 -9.723 6.346 0.889 1.00 1.40 H new ATOM 0 HE1 MET A 105 -7.697 3.905 4.063 1.00 45.21 H new ATOM 0 HE2 MET A 105 -8.296 2.910 2.714 1.00 45.21 H new ATOM 0 HE3 MET A 105 -7.207 4.281 2.394 1.00 45.21 H new ATOM 1693 N GLU A 106 -10.296 7.321 -1.249 1.00 52.25 N ATOM 1694 CA GLU A 106 -9.474 8.381 -1.821 1.00 5.14 C ATOM 1695 C GLU A 106 -8.999 9.345 -0.737 1.00 52.30 C ATOM 1696 O GLU A 106 -9.774 10.160 -0.234 1.00 22.12 O ATOM 1697 CB GLU A 106 -10.257 9.144 -2.891 1.00 3.43 C ATOM 1698 CG GLU A 106 -9.372 9.867 -3.893 1.00 73.41 C ATOM 1699 CD GLU A 106 -9.844 11.280 -4.176 1.00 30.34 C ATOM 1700 OE1 GLU A 106 -10.999 11.442 -4.622 1.00 2.32 O ATOM 1701 OE2 GLU A 106 -9.057 12.223 -3.950 1.00 15.31 O ATOM 0 H GLU A 106 -11.025 7.648 -0.615 1.00 52.25 H new ATOM 0 HA GLU A 106 -8.600 7.920 -2.282 1.00 5.14 H new ATOM 0 HB2 GLU A 106 -10.901 8.446 -3.425 1.00 3.43 H new ATOM 0 HB3 GLU A 106 -10.909 9.870 -2.404 1.00 3.43 H new ATOM 0 HG2 GLU A 106 -8.351 9.898 -3.514 1.00 73.41 H new ATOM 0 HG3 GLU A 106 -9.349 9.302 -4.825 1.00 73.41 H new ATOM 1708 N CYS A 107 -7.723 9.246 -0.383 1.00 2.11 N ATOM 1709 CA CYS A 107 -7.145 10.108 0.642 1.00 45.01 C ATOM 1710 C CYS A 107 -5.648 10.295 0.414 1.00 51.11 C ATOM 1711 O CYS A 107 -5.073 9.718 -0.508 1.00 32.11 O ATOM 1712 CB CYS A 107 -7.391 9.519 2.032 1.00 53.33 C ATOM 1713 SG CYS A 107 -8.986 9.973 2.753 1.00 71.20 S ATOM 0 H CYS A 107 -7.069 8.578 -0.790 1.00 2.11 H new ATOM 0 HA CYS A 107 -7.629 11.082 0.577 1.00 45.01 H new ATOM 0 HB2 CYS A 107 -7.328 8.433 1.971 1.00 53.33 H new ATOM 0 HB3 CYS A 107 -6.595 9.848 2.700 1.00 53.33 H new ATOM 0 HG CYS A 107 -9.848 10.183 1.803 1.00 71.20 H new ATOM 1719 N GLY A 108 -5.023 11.108 1.260 1.00 3.12 N ATOM 1720 CA GLY A 108 -3.599 11.359 1.133 1.00 61.40 C ATOM 1721 C GLY A 108 -3.277 12.312 -0.001 1.00 20.50 C ATOM 1722 O GLY A 108 -4.168 12.737 -0.735 1.00 73.01 O ATOM 0 H GLY A 108 -5.477 11.597 2.031 1.00 3.12 H new ATOM 0 HA2 GLY A 108 -3.221 11.772 2.068 1.00 61.40 H new ATOM 0 HA3 GLY A 108 -3.080 10.415 0.968 1.00 61.40 H new