USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 771 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 106 THR OG1 : rot 180:sc= -1.36 USER MOD Set 1.2: A 107 GLN : amide:sc= 0 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 54 SER OG : rot -132:sc= 0.643 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.753 K(o=1.4,f=-4.9) USER MOD Set 3.1: A 45 SER OG : rot 118:sc= 0.041 USER MOD Set 3.2: A 52 THR OG1 : rot 180:sc= -0.0509 USER MOD Set 4.1: A 48 HIS : no HD1:sc= 0.419 K(o=0.38,f=-5.8!) USER MOD Set 4.2: A 65 MET CE :methyl -139:sc= -0.0346 (180deg=-2.88!) USER MOD Set 5.1: A 35 GLN : amide:sc= -0.391 K(o=-0.28,f=-1) USER MOD Set 5.2: A 39 SER OG : rot 103:sc= 0.112 USER MOD Set 6.1: A 20 HIS : no HE2:sc= -6.82! C(o=-8.7!,f=-8.8!) USER MOD Set 6.2: A 109 CYS SG : rot 142:sc= -1.91 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -2! K(o=-2!,f=-1.4) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 91:sc= -0.95 USER MOD Single : A 56 LYS NZ :NH3+ 138:sc= -0.194 (180deg=-1.77!) USER MOD Single : A 58 GLN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -81:sc= 1.12 USER MOD Single : A 61 CYS SG : rot 170:sc= -0.399 USER MOD Single : A 62 CYS SG : rot -123:sc= -0.743 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.039 (180deg=-0.303) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 75 MET CE :methyl -172:sc= -1.76 (180deg=-2.06) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -5.5! K(o=-5.5!,f=-3.9) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.058 USER MOD Single : A 85 SER OG : rot 5:sc= 0.313 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -2.11 K(o=-2.1,f=-4.1!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.883 K(o=-0.88,f=-3.1!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 15 -7.786 2.054 -15.951 1.00 0.00 N ATOM 156 CA VAL A 15 -7.095 2.440 -14.726 1.00 0.00 C ATOM 157 C VAL A 15 -6.832 3.941 -14.694 1.00 0.00 C ATOM 158 O VAL A 15 -6.445 4.550 -15.691 1.00 0.00 O ATOM 159 CB VAL A 15 -5.758 1.690 -14.577 1.00 0.00 C ATOM 160 CG1 VAL A 15 -4.861 1.954 -15.778 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.063 2.094 -13.285 1.00 0.00 C ATOM 0 HA VAL A 15 -7.747 2.172 -13.895 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.964 0.620 -14.535 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.921 1.416 -15.655 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.359 1.613 -16.686 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.660 3.023 -15.854 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.120 1.555 -13.195 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.868 3.166 -13.297 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.702 1.850 -12.436 1.00 0.00 H new ATOM 171 N PRO A 16 -7.044 4.554 -13.520 1.00 0.00 N ATOM 172 CA PRO A 16 -6.834 5.992 -13.329 1.00 0.00 C ATOM 173 C PRO A 16 -5.359 6.373 -13.372 1.00 0.00 C ATOM 174 O PRO A 16 -4.518 5.587 -13.809 1.00 0.00 O ATOM 175 CB PRO A 16 -7.414 6.252 -11.936 1.00 0.00 C ATOM 176 CG PRO A 16 -7.313 4.942 -11.233 1.00 0.00 C ATOM 177 CD PRO A 16 -7.505 3.890 -12.289 1.00 0.00 C ATOM 0 HA PRO A 16 -7.302 6.581 -14.118 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.854 7.027 -11.412 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.448 6.591 -11.995 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.344 4.834 -10.746 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.072 4.857 -10.455 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.923 2.994 -12.074 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.548 3.582 -12.365 1.00 0.00 H new ATOM 185 N GLU A 17 -5.051 7.583 -12.916 1.00 0.00 N ATOM 186 CA GLU A 17 -3.676 8.068 -12.904 1.00 0.00 C ATOM 187 C GLU A 17 -3.060 7.920 -11.516 1.00 0.00 C ATOM 188 O GLU A 17 -1.843 7.785 -11.377 1.00 0.00 O ATOM 189 CB GLU A 17 -3.624 9.532 -13.344 1.00 0.00 C ATOM 190 CG GLU A 17 -4.379 10.472 -12.420 1.00 0.00 C ATOM 191 CD GLU A 17 -4.934 11.684 -13.146 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.915 11.525 -13.902 1.00 0.00 O ATOM 193 OE2 GLU A 17 -4.385 12.790 -12.957 1.00 0.00 O ATOM 0 H GLU A 17 -5.735 8.245 -12.550 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.099 7.465 -13.605 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.583 9.849 -13.399 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.037 9.615 -14.349 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.198 9.930 -11.947 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.714 10.804 -11.623 1.00 0.00 H new ATOM 200 N TRP A 18 -3.906 7.948 -10.493 1.00 0.00 N ATOM 201 CA TRP A 18 -3.445 7.817 -9.116 1.00 0.00 C ATOM 202 C TRP A 18 -3.033 6.381 -8.813 1.00 0.00 C ATOM 203 O TRP A 18 -2.406 6.107 -7.789 1.00 0.00 O ATOM 204 CB TRP A 18 -4.541 8.262 -8.146 1.00 0.00 C ATOM 205 CG TRP A 18 -5.864 7.606 -8.403 1.00 0.00 C ATOM 206 CD1 TRP A 18 -6.881 8.092 -9.174 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.313 6.349 -7.888 1.00 0.00 C ATOM 208 NE1 TRP A 18 -7.936 7.211 -9.170 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.611 6.133 -8.388 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.743 5.383 -7.054 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.348 4.992 -8.080 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.475 4.251 -6.749 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.766 4.063 -7.262 1.00 0.00 C ATOM 0 H TRP A 18 -4.915 8.060 -10.591 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.573 8.459 -8.988 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.226 8.040 -7.126 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.660 9.343 -8.215 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.859 9.030 -9.708 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.817 7.339 -9.668 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.749 5.519 -6.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.343 4.846 -8.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.045 3.499 -6.105 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.312 3.167 -7.006 1.00 0.00 H new ATOM 224 N PHE A 19 -3.388 5.466 -9.710 1.00 0.00 N ATOM 225 CA PHE A 19 -3.055 4.057 -9.537 1.00 0.00 C ATOM 226 C PHE A 19 -1.792 3.697 -10.316 1.00 0.00 C ATOM 227 O PHE A 19 -1.818 3.574 -11.541 1.00 0.00 O ATOM 228 CB PHE A 19 -4.218 3.176 -9.997 1.00 0.00 C ATOM 229 CG PHE A 19 -4.084 1.740 -9.580 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.264 1.369 -8.256 1.00 0.00 C ATOM 231 CD2 PHE A 19 -3.778 0.760 -10.511 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.140 0.048 -7.870 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.653 -0.563 -10.131 1.00 0.00 C ATOM 234 CZ PHE A 19 -3.835 -0.920 -8.808 1.00 0.00 C ATOM 0 H PHE A 19 -3.906 5.675 -10.563 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.871 3.881 -8.477 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.148 3.577 -9.595 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.293 3.225 -11.083 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.504 2.121 -7.519 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.635 1.033 -11.546 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.281 -0.228 -6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.414 -1.317 -10.867 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.739 -1.953 -8.508 1.00 0.00 H new ATOM 244 N HIS A 20 -0.687 3.531 -9.595 1.00 0.00 N ATOM 245 CA HIS A 20 0.586 3.186 -10.217 1.00 0.00 C ATOM 246 C HIS A 20 0.888 1.701 -10.047 1.00 0.00 C ATOM 247 O HIS A 20 2.043 1.306 -9.892 1.00 0.00 O ATOM 248 CB HIS A 20 1.715 4.021 -9.613 1.00 0.00 C ATOM 249 CG HIS A 20 1.411 5.486 -9.552 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.095 6.428 -10.292 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.490 6.170 -8.835 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.607 7.628 -10.031 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.632 7.498 -9.150 1.00 0.00 N ATOM 0 H HIS A 20 -0.648 3.630 -8.581 1.00 0.00 H new ATOM 0 HA HIS A 20 0.513 3.404 -11.282 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.924 3.660 -8.606 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.621 3.871 -10.200 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.858 6.229 -10.939 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.224 5.749 -8.143 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.948 8.557 -10.464 1.00 0.00 H new ATOM 261 N GLY A 21 -0.158 0.882 -10.076 1.00 0.00 N ATOM 262 CA GLY A 21 0.016 -0.551 -9.923 1.00 0.00 C ATOM 263 C GLY A 21 0.786 -0.910 -8.668 1.00 0.00 C ATOM 264 O GLY A 21 0.466 -0.436 -7.578 1.00 0.00 O ATOM 0 H GLY A 21 -1.124 1.185 -10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.962 -1.032 -9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.541 -0.945 -10.793 1.00 0.00 H new ATOM 268 N ALA A 22 1.803 -1.752 -8.820 1.00 0.00 N ATOM 269 CA ALA A 22 2.621 -2.174 -7.689 1.00 0.00 C ATOM 270 C ALA A 22 3.985 -1.494 -7.714 1.00 0.00 C ATOM 271 O ALA A 22 4.886 -1.915 -8.441 1.00 0.00 O ATOM 272 CB ALA A 22 2.783 -3.687 -7.691 1.00 0.00 C ATOM 0 H ALA A 22 2.080 -2.155 -9.715 1.00 0.00 H new ATOM 0 HA ALA A 22 2.112 -1.875 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.396 -3.988 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.803 -4.158 -7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.267 -4.000 -8.616 1.00 0.00 H new ATOM 278 N ILE A 23 4.131 -0.441 -6.918 1.00 0.00 N ATOM 279 CA ILE A 23 5.386 0.297 -6.849 1.00 0.00 C ATOM 280 C ILE A 23 6.063 0.106 -5.495 1.00 0.00 C ATOM 281 O ILE A 23 5.522 -0.553 -4.607 1.00 0.00 O ATOM 282 CB ILE A 23 5.169 1.802 -7.094 1.00 0.00 C ATOM 283 CG1 ILE A 23 4.056 2.333 -6.187 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.837 2.058 -8.556 1.00 0.00 C ATOM 285 CD1 ILE A 23 3.952 3.842 -6.178 1.00 0.00 C ATOM 0 H ILE A 23 3.395 -0.079 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 23 6.029 -0.101 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 23 6.091 2.331 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.104 1.913 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.230 1.983 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.686 3.126 -8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.659 1.711 -9.182 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.927 1.520 -8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.143 4.147 -5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.891 4.269 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.747 4.199 -7.187 1.00 0.00 H new ATOM 297 N SER A 24 7.248 0.688 -5.345 1.00 0.00 N ATOM 298 CA SER A 24 8.000 0.580 -4.100 1.00 0.00 C ATOM 299 C SER A 24 7.978 1.901 -3.336 1.00 0.00 C ATOM 300 O SER A 24 7.945 2.977 -3.935 1.00 0.00 O ATOM 301 CB SER A 24 9.445 0.168 -4.386 1.00 0.00 C ATOM 302 OG SER A 24 9.509 -1.164 -4.865 1.00 0.00 O ATOM 0 H SER A 24 7.708 1.239 -6.070 1.00 0.00 H new ATOM 0 HA SER A 24 7.527 -0.185 -3.484 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.881 0.844 -5.122 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.040 0.260 -3.477 1.00 0.00 H new ATOM 0 HG SER A 24 10.443 -1.403 -5.042 1.00 0.00 H new ATOM 308 N ARG A 25 7.997 1.812 -2.011 1.00 0.00 N ATOM 309 CA ARG A 25 7.978 2.998 -1.165 1.00 0.00 C ATOM 310 C ARG A 25 8.797 4.125 -1.789 1.00 0.00 C ATOM 311 O ARG A 25 8.363 5.276 -1.823 1.00 0.00 O ATOM 312 CB ARG A 25 8.524 2.668 0.226 1.00 0.00 C ATOM 313 CG ARG A 25 7.991 3.577 1.321 1.00 0.00 C ATOM 314 CD ARG A 25 8.841 4.828 1.471 1.00 0.00 C ATOM 315 NE ARG A 25 8.705 5.427 2.796 1.00 0.00 N ATOM 316 CZ ARG A 25 9.403 5.032 3.856 1.00 0.00 C ATOM 317 NH1 ARG A 25 10.280 4.044 3.746 1.00 0.00 N ATOM 318 NH2 ARG A 25 9.224 5.627 5.029 1.00 0.00 N ATOM 0 H ARG A 25 8.026 0.930 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 25 6.944 3.330 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.274 1.635 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.612 2.737 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.963 3.860 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.970 3.035 2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.887 4.579 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.552 5.556 0.713 1.00 0.00 H new ATOM 0 HE ARG A 25 8.038 6.190 2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.421 3.585 2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.814 3.743 4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.550 6.388 5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.760 5.323 5.842 1.00 0.00 H new ATOM 332 N GLU A 26 9.984 3.784 -2.281 1.00 0.00 N ATOM 333 CA GLU A 26 10.863 4.767 -2.904 1.00 0.00 C ATOM 334 C GLU A 26 10.199 5.395 -4.126 1.00 0.00 C ATOM 335 O GLU A 26 10.259 6.607 -4.324 1.00 0.00 O ATOM 336 CB GLU A 26 12.189 4.117 -3.306 1.00 0.00 C ATOM 337 CG GLU A 26 12.680 3.075 -2.316 1.00 0.00 C ATOM 338 CD GLU A 26 14.187 2.906 -2.346 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.774 3.025 -3.442 1.00 0.00 O ATOM 340 OE2 GLU A 26 14.778 2.656 -1.276 1.00 0.00 O ATOM 0 H GLU A 26 10.359 2.836 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 26 11.059 5.554 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.074 3.651 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.947 4.893 -3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.370 3.360 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.206 2.118 -2.536 1.00 0.00 H new ATOM 347 N ASP A 27 9.568 4.558 -4.942 1.00 0.00 N ATOM 348 CA ASP A 27 8.892 5.029 -6.145 1.00 0.00 C ATOM 349 C ASP A 27 7.822 6.061 -5.800 1.00 0.00 C ATOM 350 O ASP A 27 7.860 7.193 -6.282 1.00 0.00 O ATOM 351 CB ASP A 27 8.261 3.855 -6.895 1.00 0.00 C ATOM 352 CG ASP A 27 9.291 3.010 -7.620 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.405 3.518 -7.867 1.00 0.00 O ATOM 354 OD2 ASP A 27 8.982 1.844 -7.942 1.00 0.00 O ATOM 0 H ASP A 27 9.511 3.551 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 27 9.635 5.503 -6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.713 3.230 -6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.536 4.235 -7.614 1.00 0.00 H new ATOM 359 N ALA A 28 6.871 5.661 -4.963 1.00 0.00 N ATOM 360 CA ALA A 28 5.792 6.552 -4.553 1.00 0.00 C ATOM 361 C ALA A 28 6.327 7.936 -4.200 1.00 0.00 C ATOM 362 O ALA A 28 5.855 8.944 -4.723 1.00 0.00 O ATOM 363 CB ALA A 28 5.038 5.958 -3.372 1.00 0.00 C ATOM 0 H ALA A 28 6.825 4.727 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 28 5.104 6.660 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.235 6.633 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.615 4.995 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.723 5.820 -2.535 1.00 0.00 H new ATOM 369 N GLU A 29 7.311 7.975 -3.308 1.00 0.00 N ATOM 370 CA GLU A 29 7.909 9.237 -2.886 1.00 0.00 C ATOM 371 C GLU A 29 8.483 9.995 -4.079 1.00 0.00 C ATOM 372 O GLU A 29 8.387 11.219 -4.154 1.00 0.00 O ATOM 373 CB GLU A 29 9.007 8.985 -1.851 1.00 0.00 C ATOM 374 CG GLU A 29 8.488 8.862 -0.428 1.00 0.00 C ATOM 375 CD GLU A 29 9.592 8.954 0.607 1.00 0.00 C ATOM 376 OE1 GLU A 29 10.743 8.597 0.280 1.00 0.00 O ATOM 377 OE2 GLU A 29 9.305 9.385 1.744 1.00 0.00 O ATOM 0 H GLU A 29 7.711 7.149 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 29 7.126 9.847 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.540 8.071 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.730 9.799 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.756 9.648 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.969 7.910 -0.316 1.00 0.00 H new ATOM 384 N ASN A 30 9.078 9.257 -5.010 1.00 0.00 N ATOM 385 CA ASN A 30 9.669 9.858 -6.200 1.00 0.00 C ATOM 386 C ASN A 30 8.586 10.346 -7.157 1.00 0.00 C ATOM 387 O ASN A 30 8.797 11.287 -7.924 1.00 0.00 O ATOM 388 CB ASN A 30 10.576 8.851 -6.909 1.00 0.00 C ATOM 389 CG ASN A 30 12.002 8.895 -6.393 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.303 9.595 -5.427 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.888 8.146 -7.039 1.00 0.00 N ATOM 0 H ASN A 30 9.164 8.242 -4.963 1.00 0.00 H new ATOM 0 HA ASN A 30 10.265 10.715 -5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.174 7.847 -6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.573 9.055 -7.980 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.863 8.136 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.594 7.581 -7.835 1.00 0.00 H new ATOM 398 N LEU A 31 7.426 9.699 -7.109 1.00 0.00 N ATOM 399 CA LEU A 31 6.309 10.066 -7.972 1.00 0.00 C ATOM 400 C LEU A 31 5.677 11.378 -7.516 1.00 0.00 C ATOM 401 O LEU A 31 5.122 12.125 -8.322 1.00 0.00 O ATOM 402 CB LEU A 31 5.257 8.955 -7.978 1.00 0.00 C ATOM 403 CG LEU A 31 5.425 7.878 -9.050 1.00 0.00 C ATOM 404 CD1 LEU A 31 4.793 6.571 -8.598 1.00 0.00 C ATOM 405 CD2 LEU A 31 4.819 8.337 -10.368 1.00 0.00 C ATOM 0 H LEU A 31 7.235 8.918 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 31 6.692 10.201 -8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.263 8.471 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.275 9.412 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 31 6.491 7.709 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.923 5.817 -9.374 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.273 6.233 -7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.729 6.725 -8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.948 7.558 -11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.756 8.536 -10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.318 9.247 -10.700 1.00 0.00 H new ATOM 417 N LEU A 32 5.765 11.652 -6.219 1.00 0.00 N ATOM 418 CA LEU A 32 5.205 12.875 -5.655 1.00 0.00 C ATOM 419 C LEU A 32 6.257 13.978 -5.591 1.00 0.00 C ATOM 420 O LEU A 32 5.938 15.160 -5.705 1.00 0.00 O ATOM 421 CB LEU A 32 4.647 12.605 -4.256 1.00 0.00 C ATOM 422 CG LEU A 32 3.648 11.452 -4.144 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.453 11.056 -2.688 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.318 11.835 -4.776 1.00 0.00 C ATOM 0 H LEU A 32 6.219 11.043 -5.538 1.00 0.00 H new ATOM 0 HA LEU A 32 4.396 13.208 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.483 12.402 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.164 13.514 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 32 4.050 10.594 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.739 10.234 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.407 10.740 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.073 11.909 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.620 11.003 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.910 12.707 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.470 12.070 -5.829 1.00 0.00 H new ATOM 436 N GLU A 33 7.513 13.581 -5.410 1.00 0.00 N ATOM 437 CA GLU A 33 8.612 14.536 -5.333 1.00 0.00 C ATOM 438 C GLU A 33 8.513 15.570 -6.450 1.00 0.00 C ATOM 439 O GLU A 33 8.689 16.767 -6.221 1.00 0.00 O ATOM 440 CB GLU A 33 9.955 13.809 -5.413 1.00 0.00 C ATOM 441 CG GLU A 33 10.488 13.671 -6.830 1.00 0.00 C ATOM 442 CD GLU A 33 11.739 12.815 -6.902 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.597 12.941 -6.003 1.00 0.00 O ATOM 444 OE2 GLU A 33 11.858 12.020 -7.857 1.00 0.00 O ATOM 0 H GLU A 33 7.794 12.605 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 33 8.544 15.053 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.686 14.346 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.848 12.816 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.716 13.234 -7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.706 14.661 -7.230 1.00 0.00 H new ATOM 451 N SER A 34 8.228 15.100 -7.660 1.00 0.00 N ATOM 452 CA SER A 34 8.110 15.983 -8.815 1.00 0.00 C ATOM 453 C SER A 34 6.657 16.392 -9.039 1.00 0.00 C ATOM 454 O SER A 34 6.228 16.595 -10.174 1.00 0.00 O ATOM 455 CB SER A 34 8.657 15.295 -10.067 1.00 0.00 C ATOM 456 OG SER A 34 10.073 15.247 -10.046 1.00 0.00 O ATOM 0 H SER A 34 8.074 14.113 -7.866 1.00 0.00 H new ATOM 0 HA SER A 34 8.696 16.881 -8.617 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.257 14.283 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.321 15.830 -10.955 1.00 0.00 H new ATOM 0 HG SER A 34 10.397 14.801 -10.856 1.00 0.00 H new ATOM 462 N GLN A 35 5.908 16.511 -7.948 1.00 0.00 N ATOM 463 CA GLN A 35 4.503 16.896 -8.025 1.00 0.00 C ATOM 464 C GLN A 35 4.192 18.020 -7.043 1.00 0.00 C ATOM 465 O GLN A 35 4.882 18.211 -6.041 1.00 0.00 O ATOM 466 CB GLN A 35 3.606 15.691 -7.739 1.00 0.00 C ATOM 467 CG GLN A 35 3.551 14.689 -8.880 1.00 0.00 C ATOM 468 CD GLN A 35 2.843 15.236 -10.104 1.00 0.00 C ATOM 469 OE1 GLN A 35 1.687 15.656 -10.031 1.00 0.00 O ATOM 470 NE2 GLN A 35 3.534 15.235 -11.238 1.00 0.00 N ATOM 0 H GLN A 35 6.250 16.347 -7.001 1.00 0.00 H new ATOM 0 HA GLN A 35 4.306 17.256 -9.035 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.964 15.187 -6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.596 16.043 -7.526 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.566 14.398 -9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.040 13.787 -8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.489 14.878 -11.253 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.110 15.592 -12.094 1.00 0.00 H new ATOM 479 N PRO A 36 3.129 18.785 -7.336 1.00 0.00 N ATOM 480 CA PRO A 36 2.702 19.904 -6.490 1.00 0.00 C ATOM 481 C PRO A 36 2.124 19.437 -5.159 1.00 0.00 C ATOM 482 O PRO A 36 1.606 18.325 -5.051 1.00 0.00 O ATOM 483 CB PRO A 36 1.624 20.592 -7.330 1.00 0.00 C ATOM 484 CG PRO A 36 1.098 19.520 -8.222 1.00 0.00 C ATOM 485 CD PRO A 36 2.262 18.615 -8.513 1.00 0.00 C ATOM 0 HA PRO A 36 3.535 20.555 -6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.836 21.006 -6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.039 21.419 -7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.289 18.972 -7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.692 19.942 -9.142 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.945 17.579 -8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.773 18.900 -9.433 1.00 0.00 H new ATOM 493 N LEU A 37 2.216 20.293 -4.147 1.00 0.00 N ATOM 494 CA LEU A 37 1.701 19.969 -2.821 1.00 0.00 C ATOM 495 C LEU A 37 0.224 19.590 -2.888 1.00 0.00 C ATOM 496 O LEU A 37 -0.600 20.355 -3.388 1.00 0.00 O ATOM 497 CB LEU A 37 1.893 21.153 -1.873 1.00 0.00 C ATOM 498 CG LEU A 37 2.178 20.804 -0.412 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.968 20.137 0.223 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.401 19.906 -0.307 1.00 0.00 C ATOM 0 H LEU A 37 2.642 21.217 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 37 2.260 19.114 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.716 21.762 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.996 21.771 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 37 2.383 21.728 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.189 19.896 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.115 20.815 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.731 19.222 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.589 19.668 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.225 18.985 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.267 20.421 -0.723 1.00 0.00 H new ATOM 512 N GLY A 38 -0.103 18.407 -2.379 1.00 0.00 N ATOM 513 CA GLY A 38 -1.480 17.950 -2.390 1.00 0.00 C ATOM 514 C GLY A 38 -1.691 16.767 -3.315 1.00 0.00 C ATOM 515 O GLY A 38 -2.758 16.153 -3.314 1.00 0.00 O ATOM 0 H GLY A 38 0.561 17.757 -1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.776 17.673 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.129 18.769 -2.699 1.00 0.00 H new ATOM 519 N SER A 39 -0.674 16.449 -4.107 1.00 0.00 N ATOM 520 CA SER A 39 -0.755 15.336 -5.046 1.00 0.00 C ATOM 521 C SER A 39 -0.850 14.006 -4.304 1.00 0.00 C ATOM 522 O SER A 39 0.047 13.638 -3.546 1.00 0.00 O ATOM 523 CB SER A 39 0.464 15.330 -5.971 1.00 0.00 C ATOM 524 OG SER A 39 0.679 16.611 -6.537 1.00 0.00 O ATOM 0 H SER A 39 0.217 16.946 -4.118 1.00 0.00 H new ATOM 0 HA SER A 39 -1.656 15.464 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.348 15.023 -5.412 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.319 14.598 -6.765 1.00 0.00 H new ATOM 0 HG SER A 39 1.422 17.052 -6.075 1.00 0.00 H new ATOM 530 N PHE A 40 -1.946 13.288 -4.529 1.00 0.00 N ATOM 531 CA PHE A 40 -2.161 11.999 -3.882 1.00 0.00 C ATOM 532 C PHE A 40 -1.992 10.855 -4.878 1.00 0.00 C ATOM 533 O PHE A 40 -2.211 11.025 -6.078 1.00 0.00 O ATOM 534 CB PHE A 40 -3.557 11.943 -3.257 1.00 0.00 C ATOM 535 CG PHE A 40 -4.656 11.746 -4.262 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.986 10.476 -4.707 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.358 12.831 -4.762 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.997 10.291 -5.631 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.370 12.651 -5.686 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.690 11.380 -6.122 1.00 0.00 C ATOM 0 H PHE A 40 -2.698 13.577 -5.154 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.414 11.887 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.589 11.130 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.738 12.867 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.447 9.621 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.112 13.828 -4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.245 9.296 -5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.911 13.505 -6.067 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.480 11.238 -6.845 1.00 0.00 H new ATOM 550 N LEU A 41 -1.601 9.690 -4.373 1.00 0.00 N ATOM 551 CA LEU A 41 -1.401 8.518 -5.217 1.00 0.00 C ATOM 552 C LEU A 41 -1.403 7.240 -4.384 1.00 0.00 C ATOM 553 O LEU A 41 -0.867 7.210 -3.275 1.00 0.00 O ATOM 554 CB LEU A 41 -0.085 8.637 -5.987 1.00 0.00 C ATOM 555 CG LEU A 41 1.143 8.020 -5.317 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.284 8.529 -3.891 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.055 6.501 -5.338 1.00 0.00 C ATOM 0 H LEU A 41 -1.416 9.532 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.226 8.468 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.215 8.169 -6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.115 9.694 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 41 2.029 8.320 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.163 8.079 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.394 9.613 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.396 8.260 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.937 6.079 -4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.161 6.181 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.003 6.154 -6.370 1.00 0.00 H new ATOM 569 N ILE A 42 -2.005 6.187 -4.926 1.00 0.00 N ATOM 570 CA ILE A 42 -2.072 4.907 -4.234 1.00 0.00 C ATOM 571 C ILE A 42 -1.195 3.865 -4.919 1.00 0.00 C ATOM 572 O ILE A 42 -0.876 3.987 -6.102 1.00 0.00 O ATOM 573 CB ILE A 42 -3.517 4.379 -4.164 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.428 5.411 -3.497 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.563 3.057 -3.412 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.873 4.970 -3.404 1.00 0.00 C ATOM 0 H ILE A 42 -2.453 6.195 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.707 5.077 -3.221 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.876 4.208 -5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.055 5.619 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.377 6.345 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.591 2.697 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.942 2.324 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.189 3.202 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.461 5.750 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.263 4.789 -4.406 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.936 4.053 -2.819 1.00 0.00 H new ATOM 588 N ARG A 43 -0.807 2.838 -4.168 1.00 0.00 N ATOM 589 CA ARG A 43 0.034 1.775 -4.703 1.00 0.00 C ATOM 590 C ARG A 43 -0.361 0.422 -4.115 1.00 0.00 C ATOM 591 O ARG A 43 -0.601 0.302 -2.914 1.00 0.00 O ATOM 592 CB ARG A 43 1.507 2.060 -4.406 1.00 0.00 C ATOM 593 CG ARG A 43 1.804 2.255 -2.929 1.00 0.00 C ATOM 594 CD ARG A 43 3.239 2.703 -2.704 1.00 0.00 C ATOM 595 NE ARG A 43 4.153 1.571 -2.576 1.00 0.00 N ATOM 596 CZ ARG A 43 4.088 0.682 -1.591 1.00 0.00 C ATOM 597 NH1 ARG A 43 3.156 0.792 -0.655 1.00 0.00 N ATOM 598 NH2 ARG A 43 4.955 -0.321 -1.543 1.00 0.00 N ATOM 0 H ARG A 43 -1.062 2.721 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.111 1.741 -5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.111 1.235 -4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.812 2.954 -4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.121 2.996 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.625 1.322 -2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.556 3.333 -3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.291 3.314 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 43 4.881 1.457 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.486 1.561 -0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.108 0.108 0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.672 -0.410 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.904 -1.003 -0.786 1.00 0.00 H new ATOM 612 N VAL A 44 -0.427 -0.592 -4.971 1.00 0.00 N ATOM 613 CA VAL A 44 -0.793 -1.936 -4.537 1.00 0.00 C ATOM 614 C VAL A 44 0.149 -2.436 -3.447 1.00 0.00 C ATOM 615 O VAL A 44 1.189 -3.028 -3.734 1.00 0.00 O ATOM 616 CB VAL A 44 -0.772 -2.930 -5.713 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.075 -4.339 -5.226 1.00 0.00 C ATOM 618 CG2 VAL A 44 -1.761 -2.504 -6.787 1.00 0.00 C ATOM 0 H VAL A 44 -0.232 -0.509 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.806 -1.876 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 44 0.227 -2.929 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.056 -5.028 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.325 -4.640 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.062 -4.360 -4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.733 -3.217 -7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.766 -2.475 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.494 -1.514 -7.156 1.00 0.00 H new ATOM 628 N SER A 45 -0.223 -2.194 -2.195 1.00 0.00 N ATOM 629 CA SER A 45 0.590 -2.617 -1.060 1.00 0.00 C ATOM 630 C SER A 45 0.887 -4.111 -1.132 1.00 0.00 C ATOM 631 O SER A 45 0.126 -4.880 -1.718 1.00 0.00 O ATOM 632 CB SER A 45 -0.122 -2.289 0.254 1.00 0.00 C ATOM 633 OG SER A 45 0.752 -2.444 1.359 1.00 0.00 O ATOM 0 H SER A 45 -1.082 -1.707 -1.940 1.00 0.00 H new ATOM 0 HA SER A 45 1.535 -2.075 -1.098 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.496 -1.266 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.987 -2.941 0.376 1.00 0.00 H new ATOM 0 HG SER A 45 0.860 -1.583 1.814 1.00 0.00 H new ATOM 639 N HIS A 46 2.002 -4.515 -0.531 1.00 0.00 N ATOM 640 CA HIS A 46 2.402 -5.918 -0.526 1.00 0.00 C ATOM 641 C HIS A 46 2.531 -6.441 0.902 1.00 0.00 C ATOM 642 O HIS A 46 2.183 -7.586 1.188 1.00 0.00 O ATOM 643 CB HIS A 46 3.726 -6.096 -1.268 1.00 0.00 C ATOM 644 CG HIS A 46 3.653 -5.733 -2.719 1.00 0.00 C ATOM 645 ND1 HIS A 46 4.128 -4.539 -3.222 1.00 0.00 N ATOM 646 CD2 HIS A 46 3.156 -6.414 -3.778 1.00 0.00 C ATOM 647 CE1 HIS A 46 3.926 -4.501 -4.527 1.00 0.00 C ATOM 648 NE2 HIS A 46 3.339 -5.627 -4.890 1.00 0.00 N ATOM 0 H HIS A 46 2.644 -3.891 -0.042 1.00 0.00 H new ATOM 0 HA HIS A 46 1.629 -6.492 -1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.488 -5.483 -0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.047 -7.134 -1.177 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.567 -3.801 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.701 -7.393 -3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.195 -3.688 -5.185 1.00 0.00 H new ATOM 656 N SER A 47 3.035 -5.594 1.794 1.00 0.00 N ATOM 657 CA SER A 47 3.215 -5.971 3.191 1.00 0.00 C ATOM 658 C SER A 47 1.950 -6.618 3.746 1.00 0.00 C ATOM 659 O SER A 47 1.924 -7.815 4.033 1.00 0.00 O ATOM 660 CB SER A 47 3.586 -4.747 4.029 1.00 0.00 C ATOM 661 OG SER A 47 4.776 -4.143 3.551 1.00 0.00 O ATOM 0 H SER A 47 3.326 -4.642 1.574 1.00 0.00 H new ATOM 0 HA SER A 47 4.027 -6.697 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.771 -4.024 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.717 -5.041 5.070 1.00 0.00 H new ATOM 0 HG SER A 47 4.991 -3.362 4.102 1.00 0.00 H new ATOM 667 N HIS A 48 0.900 -5.816 3.895 1.00 0.00 N ATOM 668 CA HIS A 48 -0.371 -6.309 4.416 1.00 0.00 C ATOM 669 C HIS A 48 -1.415 -6.395 3.307 1.00 0.00 C ATOM 670 O HIS A 48 -1.266 -5.781 2.251 1.00 0.00 O ATOM 671 CB HIS A 48 -0.873 -5.399 5.537 1.00 0.00 C ATOM 672 CG HIS A 48 -1.673 -4.231 5.047 1.00 0.00 C ATOM 673 ND1 HIS A 48 -1.099 -3.099 4.508 1.00 0.00 N ATOM 674 CD2 HIS A 48 -3.011 -4.024 5.017 1.00 0.00 C ATOM 675 CE1 HIS A 48 -2.049 -2.246 4.168 1.00 0.00 C ATOM 676 NE2 HIS A 48 -3.218 -2.783 4.466 1.00 0.00 N ATOM 0 H HIS A 48 0.904 -4.823 3.663 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.209 -7.310 4.816 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.484 -5.985 6.224 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.019 -5.031 6.105 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.773 -4.707 5.362 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.895 -1.274 3.722 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.127 -2.347 4.312 1.00 0.00 H new ATOM 684 N VAL A 49 -2.473 -7.160 3.555 1.00 0.00 N ATOM 685 CA VAL A 49 -3.543 -7.327 2.578 1.00 0.00 C ATOM 686 C VAL A 49 -4.351 -6.044 2.426 1.00 0.00 C ATOM 687 O VAL A 49 -5.067 -5.634 3.340 1.00 0.00 O ATOM 688 CB VAL A 49 -4.492 -8.474 2.975 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.057 -8.243 4.367 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.609 -8.617 1.952 1.00 0.00 C ATOM 0 H VAL A 49 -2.612 -7.674 4.425 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.069 -7.571 1.627 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.924 -9.404 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.725 -9.064 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.241 -8.195 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.611 -7.305 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.271 -9.431 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.177 -7.688 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.181 -8.834 0.973 1.00 0.00 H new ATOM 700 N GLY A 50 -4.234 -5.411 1.262 1.00 0.00 N ATOM 701 CA GLY A 50 -4.959 -4.180 1.010 1.00 0.00 C ATOM 702 C GLY A 50 -4.190 -3.225 0.118 1.00 0.00 C ATOM 703 O GLY A 50 -3.657 -3.626 -0.918 1.00 0.00 O ATOM 0 H GLY A 50 -3.650 -5.730 0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.917 -4.415 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.177 -3.690 1.959 1.00 0.00 H new ATOM 707 N TYR A 51 -4.134 -1.960 0.517 1.00 0.00 N ATOM 708 CA TYR A 51 -3.429 -0.945 -0.256 1.00 0.00 C ATOM 709 C TYR A 51 -2.760 0.072 0.664 1.00 0.00 C ATOM 710 O TYR A 51 -2.779 -0.070 1.887 1.00 0.00 O ATOM 711 CB TYR A 51 -4.395 -0.234 -1.205 1.00 0.00 C ATOM 712 CG TYR A 51 -5.104 -1.168 -2.158 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.189 -1.929 -1.739 1.00 0.00 C ATOM 714 CD2 TYR A 51 -4.688 -1.292 -3.479 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.840 -2.785 -2.606 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.335 -2.144 -4.353 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.409 -2.889 -3.912 1.00 0.00 C ATOM 718 OH TYR A 51 -7.054 -3.740 -4.780 1.00 0.00 O ATOM 0 H TYR A 51 -4.569 -1.613 1.372 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.656 -1.442 -0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.138 0.305 -0.617 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.844 0.510 -1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.529 -1.850 -0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.846 -0.713 -3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.681 -3.369 -2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.001 -2.226 -5.377 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.627 -3.694 -5.661 1.00 0.00 H new ATOM 728 N THR A 52 -2.168 1.102 0.065 1.00 0.00 N ATOM 729 CA THR A 52 -1.494 2.144 0.829 1.00 0.00 C ATOM 730 C THR A 52 -1.646 3.505 0.156 1.00 0.00 C ATOM 731 O THR A 52 -1.069 3.753 -0.904 1.00 0.00 O ATOM 732 CB THR A 52 0.006 1.835 0.999 1.00 0.00 C ATOM 733 OG1 THR A 52 0.173 0.597 1.700 1.00 0.00 O ATOM 734 CG2 THR A 52 0.707 2.952 1.755 1.00 0.00 C ATOM 0 H THR A 52 -2.142 1.236 -0.946 1.00 0.00 H new ATOM 0 HA THR A 52 -1.966 2.171 1.811 1.00 0.00 H new ATOM 0 HB THR A 52 0.453 1.755 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.129 0.406 1.803 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.765 2.711 1.862 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.602 3.886 1.203 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.258 3.061 2.742 1.00 0.00 H new ATOM 742 N LEU A 53 -2.426 4.382 0.778 1.00 0.00 N ATOM 743 CA LEU A 53 -2.654 5.719 0.239 1.00 0.00 C ATOM 744 C LEU A 53 -1.567 6.684 0.700 1.00 0.00 C ATOM 745 O LEU A 53 -1.088 6.601 1.832 1.00 0.00 O ATOM 746 CB LEU A 53 -4.027 6.236 0.670 1.00 0.00 C ATOM 747 CG LEU A 53 -4.232 7.749 0.586 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.560 8.165 -0.839 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.331 8.193 1.540 1.00 0.00 C ATOM 0 H LEU A 53 -2.911 4.192 1.655 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.621 5.656 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.785 5.752 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.205 5.922 1.699 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.304 8.239 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.703 9.245 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.739 7.883 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.474 7.666 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.463 9.273 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.264 7.695 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.055 7.930 2.561 1.00 0.00 H new ATOM 761 N SER A 54 -1.183 7.600 -0.183 1.00 0.00 N ATOM 762 CA SER A 54 -0.151 8.582 0.134 1.00 0.00 C ATOM 763 C SER A 54 -0.360 9.866 -0.663 1.00 0.00 C ATOM 764 O SER A 54 -1.087 9.881 -1.657 1.00 0.00 O ATOM 765 CB SER A 54 1.236 8.006 -0.160 1.00 0.00 C ATOM 766 OG SER A 54 1.457 6.811 0.568 1.00 0.00 O ATOM 0 H SER A 54 -1.570 7.683 -1.123 1.00 0.00 H new ATOM 0 HA SER A 54 -0.222 8.819 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.332 7.808 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.000 8.739 0.098 1.00 0.00 H new ATOM 0 HG SER A 54 2.330 6.855 1.011 1.00 0.00 H new ATOM 772 N TYR A 55 0.281 10.941 -0.219 1.00 0.00 N ATOM 773 CA TYR A 55 0.165 12.231 -0.889 1.00 0.00 C ATOM 774 C TYR A 55 1.219 13.207 -0.377 1.00 0.00 C ATOM 775 O TYR A 55 1.620 13.154 0.787 1.00 0.00 O ATOM 776 CB TYR A 55 -1.233 12.815 -0.675 1.00 0.00 C ATOM 777 CG TYR A 55 -1.547 13.122 0.772 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.047 14.265 1.383 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.345 12.270 1.526 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.331 14.549 2.705 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.634 12.547 2.848 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.126 13.687 3.433 1.00 0.00 C ATOM 783 OH TYR A 55 -2.411 13.967 4.750 1.00 0.00 O ATOM 0 H TYR A 55 0.886 10.945 0.602 1.00 0.00 H new ATOM 0 HA TYR A 55 0.328 12.075 -1.955 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.329 13.729 -1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.973 12.112 -1.057 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.426 14.943 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.746 11.376 1.071 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.933 15.441 3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.255 11.874 3.420 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.237 14.492 4.802 1.00 0.00 H new ATOM 793 N LYS A 56 1.665 14.100 -1.254 1.00 0.00 N ATOM 794 CA LYS A 56 2.672 15.092 -0.893 1.00 0.00 C ATOM 795 C LYS A 56 2.089 16.139 0.051 1.00 0.00 C ATOM 796 O LYS A 56 1.159 16.861 -0.306 1.00 0.00 O ATOM 797 CB LYS A 56 3.221 15.771 -2.150 1.00 0.00 C ATOM 798 CG LYS A 56 4.573 16.429 -1.943 1.00 0.00 C ATOM 799 CD LYS A 56 5.712 15.455 -2.194 1.00 0.00 C ATOM 800 CE LYS A 56 6.915 15.766 -1.317 1.00 0.00 C ATOM 801 NZ LYS A 56 6.694 15.349 0.096 1.00 0.00 N ATOM 0 H LYS A 56 1.345 14.157 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 56 3.486 14.579 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.304 15.031 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.508 16.523 -2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.669 17.283 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.639 16.813 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.372 14.438 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.004 15.498 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.794 15.257 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.123 16.835 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.558 14.903 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.461 16.183 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.908 14.669 0.138 1.00 0.00 H new ATOM 815 N ALA A 57 2.645 16.217 1.256 1.00 0.00 N ATOM 816 CA ALA A 57 2.183 17.178 2.248 1.00 0.00 C ATOM 817 C ALA A 57 3.174 18.328 2.401 1.00 0.00 C ATOM 818 O ALA A 57 4.342 18.204 2.035 1.00 0.00 O ATOM 819 CB ALA A 57 1.961 16.490 3.586 1.00 0.00 C ATOM 0 H ALA A 57 3.416 15.626 1.568 1.00 0.00 H new ATOM 0 HA ALA A 57 1.236 17.592 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.616 17.220 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.211 15.707 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.897 16.048 3.928 1.00 0.00 H new ATOM 825 N GLN A 58 2.699 19.445 2.944 1.00 0.00 N ATOM 826 CA GLN A 58 3.543 20.616 3.142 1.00 0.00 C ATOM 827 C GLN A 58 4.959 20.207 3.533 1.00 0.00 C ATOM 828 O GLN A 58 5.255 20.007 4.711 1.00 0.00 O ATOM 829 CB GLN A 58 2.946 21.524 4.220 1.00 0.00 C ATOM 830 CG GLN A 58 2.002 22.580 3.671 1.00 0.00 C ATOM 831 CD GLN A 58 2.709 23.880 3.340 1.00 0.00 C ATOM 832 OE1 GLN A 58 3.008 24.681 4.226 1.00 0.00 O ATOM 833 NE2 GLN A 58 2.982 24.096 2.059 1.00 0.00 N ATOM 0 H GLN A 58 1.734 19.563 3.254 1.00 0.00 H new ATOM 0 HA GLN A 58 3.589 21.163 2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.410 20.910 4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.756 22.017 4.758 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.516 22.196 2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.216 22.774 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.716 23.405 1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.458 24.953 1.776 1.00 0.00 H new ATOM 842 N SER A 59 5.830 20.082 2.537 1.00 0.00 N ATOM 843 CA SER A 59 7.214 19.692 2.776 1.00 0.00 C ATOM 844 C SER A 59 7.285 18.480 3.702 1.00 0.00 C ATOM 845 O SER A 59 8.048 18.468 4.668 1.00 0.00 O ATOM 846 CB SER A 59 7.998 20.858 3.382 1.00 0.00 C ATOM 847 OG SER A 59 9.381 20.744 3.098 1.00 0.00 O ATOM 0 H SER A 59 5.601 20.245 1.556 1.00 0.00 H new ATOM 0 HA SER A 59 7.660 19.423 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.619 21.800 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.846 20.881 4.461 1.00 0.00 H new ATOM 0 HG SER A 59 9.860 21.502 3.495 1.00 0.00 H new ATOM 853 N SER A 60 6.484 17.464 3.397 1.00 0.00 N ATOM 854 CA SER A 60 6.453 16.248 4.204 1.00 0.00 C ATOM 855 C SER A 60 5.531 15.206 3.578 1.00 0.00 C ATOM 856 O SER A 60 4.328 15.430 3.437 1.00 0.00 O ATOM 857 CB SER A 60 5.990 16.568 5.627 1.00 0.00 C ATOM 858 OG SER A 60 5.016 17.597 5.627 1.00 0.00 O ATOM 0 H SER A 60 5.849 17.458 2.599 1.00 0.00 H new ATOM 0 HA SER A 60 7.462 15.839 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.576 15.671 6.088 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.845 16.872 6.231 1.00 0.00 H new ATOM 0 HG SER A 60 5.460 18.468 5.554 1.00 0.00 H new ATOM 864 N CYS A 61 6.104 14.068 3.205 1.00 0.00 N ATOM 865 CA CYS A 61 5.335 12.990 2.594 1.00 0.00 C ATOM 866 C CYS A 61 4.835 12.010 3.651 1.00 0.00 C ATOM 867 O CYS A 61 5.509 11.766 4.652 1.00 0.00 O ATOM 868 CB CYS A 61 6.186 12.251 1.559 1.00 0.00 C ATOM 869 SG CYS A 61 5.225 11.386 0.295 1.00 0.00 S ATOM 0 H CYS A 61 7.098 13.868 3.315 1.00 0.00 H new ATOM 0 HA CYS A 61 4.471 13.431 2.096 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.848 12.967 1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.821 11.530 2.074 1.00 0.00 H new ATOM 0 HG CYS A 61 6.019 10.975 -0.648 1.00 0.00 H new ATOM 875 N CYS A 62 3.651 11.454 3.422 1.00 0.00 N ATOM 876 CA CYS A 62 3.060 10.504 4.357 1.00 0.00 C ATOM 877 C CYS A 62 2.626 9.231 3.636 1.00 0.00 C ATOM 878 O CYS A 62 2.474 9.253 2.416 1.00 0.00 O ATOM 879 CB CYS A 62 1.862 11.134 5.070 1.00 0.00 C ATOM 880 SG CYS A 62 1.546 10.461 6.717 1.00 0.00 S ATOM 0 H CYS A 62 3.082 11.644 2.597 1.00 0.00 H new ATOM 0 HA CYS A 62 3.816 10.242 5.097 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.026 12.208 5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.973 10.995 4.455 1.00 0.00 H new ATOM 0 HG CYS A 62 0.332 10.001 6.772 1.00 0.00 H new ATOM 886 N HIS A 63 2.438 8.162 4.397 1.00 0.00 N ATOM 887 CA HIS A 63 2.026 6.895 3.818 1.00 0.00 C ATOM 888 C HIS A 63 1.036 6.201 4.757 1.00 0.00 C ATOM 889 O HIS A 63 1.396 5.663 5.804 1.00 0.00 O ATOM 890 CB HIS A 63 3.241 6.026 3.491 1.00 0.00 C ATOM 891 CG HIS A 63 4.238 6.685 2.568 1.00 0.00 C ATOM 892 ND1 HIS A 63 4.125 6.642 1.189 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.363 7.406 2.840 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.143 7.308 0.665 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.910 7.780 1.690 1.00 0.00 N ATOM 0 H HIS A 63 2.564 8.148 5.409 1.00 0.00 H new ATOM 0 HA HIS A 63 1.515 7.072 2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.744 5.758 4.420 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.898 5.097 3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.744 7.634 3.824 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.333 7.452 -0.388 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.763 8.330 1.589 1.00 0.00 H new ATOM 903 N PHE A 64 -0.231 6.226 4.355 1.00 0.00 N ATOM 904 CA PHE A 64 -1.294 5.609 5.139 1.00 0.00 C ATOM 905 C PHE A 64 -1.533 4.170 4.694 1.00 0.00 C ATOM 906 O PHE A 64 -1.218 3.799 3.563 1.00 0.00 O ATOM 907 CB PHE A 64 -2.587 6.417 5.010 1.00 0.00 C ATOM 908 CG PHE A 64 -2.404 7.886 5.267 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.930 8.723 4.269 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.706 8.429 6.505 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.762 10.075 4.503 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.540 9.780 6.744 1.00 0.00 C ATOM 913 CZ PHE A 64 -2.066 10.603 5.742 1.00 0.00 C ATOM 0 H PHE A 64 -0.546 6.667 3.491 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.982 5.600 6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.994 6.279 4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.324 6.023 5.710 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.689 8.315 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.076 7.789 7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.393 10.718 3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.781 10.191 7.713 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.933 11.659 5.927 1.00 0.00 H new ATOM 923 N MET A 65 -2.092 3.364 5.590 1.00 0.00 N ATOM 924 CA MET A 65 -2.376 1.966 5.289 1.00 0.00 C ATOM 925 C MET A 65 -3.877 1.724 5.185 1.00 0.00 C ATOM 926 O MET A 65 -4.661 2.284 5.952 1.00 0.00 O ATOM 927 CB MET A 65 -1.775 1.058 6.365 1.00 0.00 C ATOM 928 CG MET A 65 -2.615 0.978 7.630 1.00 0.00 C ATOM 929 SD MET A 65 -2.131 -0.391 8.699 1.00 0.00 S ATOM 930 CE MET A 65 -2.764 -1.785 7.771 1.00 0.00 C ATOM 0 H MET A 65 -2.357 3.655 6.531 1.00 0.00 H new ATOM 0 HA MET A 65 -1.921 1.729 4.327 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.652 0.055 5.956 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.780 1.421 6.622 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.525 1.914 8.181 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.665 0.868 7.358 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.215 -2.503 8.456 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.516 -1.439 7.061 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.947 -2.263 7.230 1.00 0.00 H new ATOM 940 N VAL A 66 -4.274 0.889 4.230 1.00 0.00 N ATOM 941 CA VAL A 66 -5.683 0.574 4.026 1.00 0.00 C ATOM 942 C VAL A 66 -5.925 -0.930 4.092 1.00 0.00 C ATOM 943 O VAL A 66 -5.324 -1.701 3.342 1.00 0.00 O ATOM 944 CB VAL A 66 -6.186 1.105 2.671 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.665 0.795 2.492 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.929 2.599 2.556 1.00 0.00 C ATOM 0 H VAL A 66 -3.639 0.418 3.585 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.236 1.063 4.828 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.635 0.603 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.003 1.178 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.818 -0.284 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.235 1.269 3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.291 2.957 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.453 3.121 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.859 2.791 2.636 1.00 0.00 H new ATOM 956 N LYS A 67 -6.809 -1.343 4.995 1.00 0.00 N ATOM 957 CA LYS A 67 -7.132 -2.754 5.159 1.00 0.00 C ATOM 958 C LYS A 67 -8.311 -3.149 4.273 1.00 0.00 C ATOM 959 O LYS A 67 -9.014 -2.290 3.738 1.00 0.00 O ATOM 960 CB LYS A 67 -7.459 -3.057 6.624 1.00 0.00 C ATOM 961 CG LYS A 67 -6.313 -2.760 7.575 1.00 0.00 C ATOM 962 CD LYS A 67 -6.416 -1.358 8.153 1.00 0.00 C ATOM 963 CE LYS A 67 -7.375 -1.312 9.333 1.00 0.00 C ATOM 964 NZ LYS A 67 -6.829 -2.028 10.519 1.00 0.00 N ATOM 0 H LYS A 67 -7.314 -0.719 5.624 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.262 -3.337 4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.329 -2.472 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.734 -4.108 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.313 -3.489 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.365 -2.869 7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.429 -1.021 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.755 -0.668 7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.577 -0.274 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.327 -1.759 9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.331 -1.716 11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.959 -3.053 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.815 -1.817 10.616 1.00 0.00 H new ATOM 978 N LEU A 68 -8.522 -4.452 4.123 1.00 0.00 N ATOM 979 CA LEU A 68 -9.616 -4.960 3.304 1.00 0.00 C ATOM 980 C LEU A 68 -10.667 -5.652 4.166 1.00 0.00 C ATOM 981 O LEU A 68 -10.593 -6.857 4.408 1.00 0.00 O ATOM 982 CB LEU A 68 -9.082 -5.934 2.252 1.00 0.00 C ATOM 983 CG LEU A 68 -9.912 -6.067 0.976 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.392 -7.208 0.116 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.380 -6.277 1.314 1.00 0.00 C ATOM 0 H LEU A 68 -7.950 -5.176 4.558 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.084 -4.113 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.075 -5.622 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.996 -6.920 2.709 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.820 -5.141 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.996 -7.287 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.354 -7.015 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.452 -8.142 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.956 -6.370 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.491 -7.187 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.747 -5.426 1.887 1.00 0.00 H new ATOM 997 N LEU A 69 -11.647 -4.881 4.626 1.00 0.00 N ATOM 998 CA LEU A 69 -12.715 -5.420 5.460 1.00 0.00 C ATOM 999 C LEU A 69 -13.243 -6.731 4.889 1.00 0.00 C ATOM 1000 O LEU A 69 -12.904 -7.114 3.769 1.00 0.00 O ATOM 1001 CB LEU A 69 -13.855 -4.407 5.579 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.550 -3.144 6.385 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.717 -3.482 7.612 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.835 -2.118 5.519 1.00 0.00 C ATOM 0 H LEU A 69 -11.724 -3.882 4.436 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.305 -5.616 6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.156 -4.109 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.711 -4.906 6.033 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.494 -2.713 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.510 -2.571 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.266 -4.180 8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.777 -3.937 7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.626 -1.226 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.898 -2.539 5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.468 -1.853 4.672 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.077 -7.415 5.665 1.00 0.00 N ATOM 1017 CA ASP A 70 -14.656 -8.683 5.236 1.00 0.00 C ATOM 1018 C ASP A 70 -15.806 -8.453 4.260 1.00 0.00 C ATOM 1019 O ASP A 70 -16.147 -9.333 3.469 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.148 -9.479 6.446 1.00 0.00 C ATOM 1021 CG ASP A 70 -14.068 -10.369 7.032 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -13.132 -9.830 7.658 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -14.159 -11.603 6.863 1.00 0.00 O ATOM 0 H ASP A 70 -14.367 -7.112 6.595 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.880 -9.255 4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.501 -8.789 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.000 -10.092 6.152 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.399 -7.267 4.323 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.512 -6.921 3.446 1.00 0.00 C ATOM 1030 C ASP A 71 -17.007 -6.502 2.068 1.00 0.00 C ATOM 1031 O ASP A 71 -17.771 -6.011 1.238 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.344 -5.796 4.061 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.758 -5.756 3.516 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -19.947 -6.103 2.331 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -20.676 -5.379 4.274 1.00 0.00 O ATOM 0 H ASP A 71 -16.128 -6.528 4.972 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.140 -7.805 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.378 -5.924 5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.856 -4.840 3.868 1.00 0.00 H new ATOM 1040 N GLY A 72 -15.713 -6.701 1.831 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.128 -6.337 0.554 1.00 0.00 C ATOM 1042 C GLY A 72 -14.909 -4.843 0.421 1.00 0.00 C ATOM 1043 O GLY A 72 -14.776 -4.323 -0.687 1.00 0.00 O ATOM 0 H GLY A 72 -15.060 -7.108 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.175 -6.853 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.779 -6.679 -0.251 1.00 0.00 H new ATOM 1047 N THR A 73 -14.874 -4.148 1.554 1.00 0.00 N ATOM 1048 CA THR A 73 -14.673 -2.704 1.559 1.00 0.00 C ATOM 1049 C THR A 73 -13.290 -2.344 2.088 1.00 0.00 C ATOM 1050 O THR A 73 -12.527 -3.216 2.505 1.00 0.00 O ATOM 1051 CB THR A 73 -15.739 -1.992 2.412 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.750 -2.536 3.737 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.119 -2.137 1.787 1.00 0.00 C ATOM 0 H THR A 73 -14.982 -4.562 2.480 1.00 0.00 H new ATOM 0 HA THR A 73 -14.762 -2.368 0.526 1.00 0.00 H new ATOM 0 HB THR A 73 -15.488 -0.932 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.429 -2.077 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.855 -1.626 2.408 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.115 -1.695 0.790 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.376 -3.194 1.715 1.00 0.00 H new ATOM 1061 N PHE A 74 -12.973 -1.054 2.071 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.680 -0.578 2.550 1.00 0.00 C ATOM 1063 C PHE A 74 -11.855 0.586 3.521 1.00 0.00 C ATOM 1064 O PHE A 74 -12.639 1.502 3.274 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.803 -0.147 1.372 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.779 -1.143 0.248 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -11.723 -1.087 -0.765 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.812 -2.134 0.203 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -11.703 -2.001 -1.802 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -9.787 -3.050 -0.831 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.734 -2.985 -1.834 1.00 0.00 C ATOM 0 H PHE A 74 -13.593 -0.319 1.731 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.191 -1.398 3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.163 0.809 0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.785 0.014 1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.483 -0.320 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.069 -2.191 0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.444 -1.946 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.027 -3.817 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.717 -3.702 -2.642 1.00 0.00 H new ATOM 1081 N MET A 75 -11.119 0.542 4.627 1.00 0.00 N ATOM 1082 CA MET A 75 -11.191 1.593 5.635 1.00 0.00 C ATOM 1083 C MET A 75 -9.843 1.783 6.322 1.00 0.00 C ATOM 1084 O MET A 75 -9.134 0.814 6.594 1.00 0.00 O ATOM 1085 CB MET A 75 -12.264 1.259 6.674 1.00 0.00 C ATOM 1086 CG MET A 75 -12.134 2.060 7.960 1.00 0.00 C ATOM 1087 SD MET A 75 -12.217 3.839 7.680 1.00 0.00 S ATOM 1088 CE MET A 75 -13.015 4.382 9.189 1.00 0.00 C ATOM 0 H MET A 75 -10.466 -0.210 4.848 1.00 0.00 H new ATOM 0 HA MET A 75 -11.457 2.524 5.134 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.247 1.441 6.240 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.211 0.196 6.910 1.00 0.00 H new ATOM 0 HG2 MET A 75 -12.927 1.767 8.648 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.187 1.816 8.442 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.266 5.440 9.108 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.926 3.804 9.347 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.340 4.233 10.032 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.495 3.035 6.597 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.231 3.350 7.252 1.00 0.00 C ATOM 1100 C ILE A 76 -8.394 3.393 8.767 1.00 0.00 C ATOM 1101 O ILE A 76 -9.374 3.916 9.297 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.668 4.699 6.769 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.424 4.664 5.259 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.382 5.032 7.511 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.513 6.022 4.600 1.00 0.00 C ATOM 0 H ILE A 76 -10.070 3.848 6.377 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.531 2.558 6.986 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.400 5.478 6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.438 4.241 5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.152 3.997 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.996 5.988 7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.584 5.094 8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.643 4.252 7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.329 5.920 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.507 6.439 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.767 6.687 5.035 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.409 2.830 9.484 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.418 2.794 10.950 1.00 0.00 C ATOM 1119 C PRO A 77 -7.212 4.173 11.565 1.00 0.00 C ATOM 1120 O PRO A 77 -6.098 4.534 11.946 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.242 1.876 11.288 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.327 1.984 10.118 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.211 2.188 8.919 1.00 0.00 C ATOM 0 HA PRO A 77 -8.374 2.448 11.344 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.747 2.189 12.207 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.573 0.848 11.438 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.635 2.818 10.239 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.724 1.082 10.010 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.733 2.819 8.170 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.453 1.243 8.433 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.292 4.943 11.662 1.00 0.00 N ATOM 1132 CA GLY A 78 -8.208 6.274 12.232 1.00 0.00 C ATOM 1133 C GLY A 78 -9.422 7.122 11.907 1.00 0.00 C ATOM 1134 O GLY A 78 -9.779 8.021 12.667 1.00 0.00 O ATOM 0 H GLY A 78 -9.225 4.667 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.102 6.196 13.314 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.312 6.770 11.859 1.00 0.00 H new ATOM 1138 N GLU A 79 -10.056 6.836 10.774 1.00 0.00 N ATOM 1139 CA GLU A 79 -11.235 7.581 10.350 1.00 0.00 C ATOM 1140 C GLU A 79 -12.499 7.004 10.980 1.00 0.00 C ATOM 1141 O GLU A 79 -12.439 6.063 11.772 1.00 0.00 O ATOM 1142 CB GLU A 79 -11.356 7.563 8.826 1.00 0.00 C ATOM 1143 CG GLU A 79 -10.260 8.342 8.118 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.483 9.840 8.168 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -10.006 10.481 9.128 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -11.135 10.373 7.246 1.00 0.00 O ATOM 0 H GLU A 79 -9.773 6.094 10.134 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.122 8.612 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.336 6.529 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.324 7.975 8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.299 8.106 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.206 8.021 7.078 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.645 7.574 10.622 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.926 7.117 11.149 1.00 0.00 C ATOM 1155 C LYS A 80 -15.856 6.688 10.020 1.00 0.00 C ATOM 1156 O LYS A 80 -17.000 6.300 10.258 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.584 8.223 11.975 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.828 8.565 13.248 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.803 9.661 13.010 1.00 0.00 C ATOM 1160 CE LYS A 80 -14.419 11.043 13.170 1.00 0.00 C ATOM 1161 NZ LYS A 80 -13.418 12.124 12.950 1.00 0.00 N ATOM 0 H LYS A 80 -13.713 8.354 9.968 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.741 6.255 11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.670 9.120 11.362 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.597 7.916 12.236 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.532 8.885 14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.328 7.673 13.626 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.976 9.546 13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.387 9.560 12.008 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.240 11.159 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.843 11.138 14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.876 13.050 13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.647 12.029 13.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.032 12.049 11.987 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.360 6.760 8.788 1.00 0.00 N ATOM 1176 CA VAL A 81 -16.146 6.377 7.623 1.00 0.00 C ATOM 1177 C VAL A 81 -15.348 5.467 6.696 1.00 0.00 C ATOM 1178 O VAL A 81 -14.126 5.575 6.605 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.617 7.613 6.832 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.887 8.186 7.441 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -15.517 8.664 6.785 1.00 0.00 C ATOM 0 H VAL A 81 -14.416 7.081 8.572 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.018 5.838 7.993 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.840 7.306 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -18.204 9.058 6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.674 7.432 7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.695 8.480 8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.865 9.530 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.261 8.969 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.635 8.247 6.299 1.00 0.00 H new ATOM 1191 N ALA A 82 -16.049 4.571 6.008 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.406 3.644 5.086 1.00 0.00 C ATOM 1193 C ALA A 82 -15.872 3.882 3.653 1.00 0.00 C ATOM 1194 O ALA A 82 -16.652 4.797 3.388 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.686 2.207 5.502 1.00 0.00 C ATOM 0 H ALA A 82 -17.062 4.468 6.072 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.331 3.819 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.200 1.525 4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.298 2.037 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.761 2.029 5.494 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.389 3.055 2.733 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.756 3.176 1.327 1.00 0.00 C ATOM 1203 C HIS A 83 -15.778 1.809 0.650 1.00 0.00 C ATOM 1204 O HIS A 83 -15.256 0.830 1.186 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.778 4.101 0.601 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.401 5.315 1.393 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -15.209 6.428 1.494 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -13.295 5.586 2.126 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.616 7.332 2.254 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -13.453 6.845 2.649 1.00 0.00 N ATOM 0 H HIS A 83 -14.742 2.293 2.936 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.757 3.603 1.275 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.875 3.542 0.357 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.222 4.417 -0.343 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.447 4.933 2.272 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.014 8.303 2.509 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.781 7.327 3.246 1.00 0.00 H new ATOM 1218 N THR A 84 -16.387 1.747 -0.530 1.00 0.00 N ATOM 1219 CA THR A 84 -16.480 0.500 -1.278 1.00 0.00 C ATOM 1220 C THR A 84 -15.148 0.153 -1.934 1.00 0.00 C ATOM 1221 O THR A 84 -14.711 -0.998 -1.901 1.00 0.00 O ATOM 1222 CB THR A 84 -17.570 0.576 -2.363 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.227 1.573 -3.333 1.00 0.00 O ATOM 1224 CG2 THR A 84 -18.923 0.902 -1.751 1.00 0.00 C ATOM 0 H THR A 84 -16.823 2.547 -0.988 1.00 0.00 H new ATOM 0 HA THR A 84 -16.744 -0.279 -0.563 1.00 0.00 H new ATOM 0 HB THR A 84 -17.635 -0.397 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 84 -17.924 1.614 -4.021 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.676 0.950 -2.538 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.195 0.126 -1.035 1.00 0.00 H new ATOM 0 HG23 THR A 84 -18.869 1.864 -1.241 1.00 0.00 H new ATOM 1232 N SER A 85 -14.507 1.154 -2.527 1.00 0.00 N ATOM 1233 CA SER A 85 -13.225 0.953 -3.194 1.00 0.00 C ATOM 1234 C SER A 85 -12.388 2.227 -3.156 1.00 0.00 C ATOM 1235 O SER A 85 -12.904 3.316 -2.904 1.00 0.00 O ATOM 1236 CB SER A 85 -13.444 0.514 -4.644 1.00 0.00 C ATOM 1237 OG SER A 85 -13.969 -0.800 -4.705 1.00 0.00 O ATOM 0 H SER A 85 -14.854 2.113 -2.560 1.00 0.00 H new ATOM 0 HA SER A 85 -12.685 0.169 -2.663 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.127 1.205 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.500 0.557 -5.187 1.00 0.00 H new ATOM 0 HG SER A 85 -14.153 -1.121 -3.798 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.092 2.082 -3.410 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.180 3.222 -3.405 1.00 0.00 C ATOM 1245 C LEU A 86 -10.809 4.426 -4.099 1.00 0.00 C ATOM 1246 O LEU A 86 -10.812 5.533 -3.561 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.867 2.851 -4.096 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.105 1.667 -3.499 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -7.008 1.205 -4.447 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.520 2.039 -2.145 1.00 0.00 C ATOM 0 H LEU A 86 -10.649 1.188 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.977 3.489 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.080 2.630 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.213 3.723 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.805 0.843 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.477 0.362 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.451 0.898 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.309 2.023 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.981 1.185 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.834 2.878 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.325 2.321 -1.466 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.345 4.202 -5.293 1.00 0.00 N ATOM 1263 CA ASP A 87 -11.981 5.267 -6.059 1.00 0.00 C ATOM 1264 C ASP A 87 -12.950 6.059 -5.186 1.00 0.00 C ATOM 1265 O ASP A 87 -12.856 7.283 -5.092 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.722 4.686 -7.265 1.00 0.00 C ATOM 1267 CG ASP A 87 -13.105 5.749 -8.276 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -13.853 6.677 -7.905 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -12.657 5.652 -9.438 1.00 0.00 O ATOM 0 H ASP A 87 -11.352 3.291 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.201 5.942 -6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.093 3.938 -7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.621 4.173 -6.923 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.879 5.353 -4.550 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.863 5.990 -3.684 1.00 0.00 C ATOM 1276 C ALA A 88 -14.232 6.436 -2.370 1.00 0.00 C ATOM 1277 O ALA A 88 -14.853 7.149 -1.581 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.025 5.044 -3.421 1.00 0.00 C ATOM 0 H ALA A 88 -13.971 4.339 -4.618 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.239 6.877 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.752 5.533 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.500 4.780 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.656 4.140 -2.936 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.995 6.010 -2.139 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.279 6.365 -0.919 1.00 0.00 C ATOM 1286 C LEU A 89 -11.346 7.549 -1.159 1.00 0.00 C ATOM 1287 O LEU A 89 -10.946 8.237 -0.220 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.479 5.166 -0.407 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.180 5.492 0.332 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.839 4.390 1.323 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -9.040 5.696 -0.656 1.00 0.00 C ATOM 0 H LEU A 89 -12.467 5.418 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.013 6.652 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.117 4.587 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.240 4.525 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.323 6.419 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.912 4.639 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.645 4.293 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.716 3.447 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.124 5.927 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.896 4.786 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.282 6.521 -1.326 1.00 0.00 H new ATOM 1303 N VAL A 90 -11.005 7.780 -2.422 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.123 8.882 -2.787 1.00 0.00 C ATOM 1305 C VAL A 90 -10.899 10.190 -2.910 1.00 0.00 C ATOM 1306 O VAL A 90 -10.414 11.252 -2.517 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.396 8.603 -4.115 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.499 9.773 -4.489 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.593 7.314 -4.023 1.00 0.00 C ATOM 0 H VAL A 90 -11.326 7.218 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.385 8.974 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.143 8.483 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.993 9.558 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.103 10.674 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.757 9.927 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.086 7.133 -4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.854 7.402 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.263 6.482 -3.805 1.00 0.00 H new ATOM 1319 N THR A 91 -12.108 10.105 -3.456 1.00 0.00 N ATOM 1320 CA THR A 91 -12.951 11.281 -3.631 1.00 0.00 C ATOM 1321 C THR A 91 -13.301 11.911 -2.288 1.00 0.00 C ATOM 1322 O THR A 91 -13.206 13.127 -2.118 1.00 0.00 O ATOM 1323 CB THR A 91 -14.253 10.932 -4.377 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.961 10.577 -5.733 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.221 12.105 -4.352 1.00 0.00 C ATOM 0 H THR A 91 -12.525 9.234 -3.785 1.00 0.00 H new ATOM 0 HA THR A 91 -12.380 11.994 -4.226 1.00 0.00 H new ATOM 0 HB THR A 91 -14.719 10.085 -3.873 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.794 10.355 -6.200 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.133 11.836 -4.885 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.464 12.354 -3.319 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.760 12.967 -4.834 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.706 11.077 -1.337 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.072 11.554 -0.007 1.00 0.00 C ATOM 1335 C PHE A 92 -12.859 12.135 0.714 1.00 0.00 C ATOM 1336 O PHE A 92 -12.984 13.067 1.509 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.671 10.414 0.819 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.341 10.877 2.082 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.622 10.997 3.260 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.690 11.194 2.090 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.234 11.424 4.423 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.308 11.621 3.250 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.580 11.734 4.418 1.00 0.00 C ATOM 0 H PHE A 92 -13.789 10.068 -1.461 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.817 12.341 -0.122 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.396 9.876 0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.882 9.707 1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.570 10.754 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.265 11.106 1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.661 11.515 5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.360 11.866 3.243 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.062 12.064 5.326 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.686 11.579 0.430 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.450 12.042 1.051 1.00 0.00 C ATOM 1355 C HIS A 93 -10.104 13.453 0.586 1.00 0.00 C ATOM 1356 O HIS A 93 -9.535 14.242 1.341 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.301 11.088 0.723 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.175 9.948 1.685 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.524 10.044 3.016 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.737 8.680 1.504 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.304 8.886 3.612 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.827 8.040 2.716 1.00 0.00 N ATOM 0 H HIS A 93 -11.565 10.807 -0.226 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.600 12.061 2.131 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.446 10.690 -0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.366 11.649 0.712 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -9.894 10.879 3.469 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.383 8.251 0.578 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.483 8.668 4.654 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.451 13.763 -0.658 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.175 15.079 -1.223 1.00 0.00 C ATOM 1372 C GLN A 94 -10.913 16.167 -0.452 1.00 0.00 C ATOM 1373 O GLN A 94 -10.559 17.343 -0.528 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.580 15.119 -2.698 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.528 14.545 -3.633 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.028 14.406 -5.058 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -10.378 13.312 -5.501 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -10.062 15.517 -5.784 1.00 0.00 N ATOM 0 H GLN A 94 -10.924 13.121 -1.295 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.104 15.264 -1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.510 14.564 -2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.783 16.151 -2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.648 15.188 -3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.214 13.568 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.762 16.402 -5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.388 15.485 -6.750 1.00 0.00 H new ATOM 1387 N GLN A 95 -11.940 15.767 0.292 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.728 16.711 1.077 1.00 0.00 C ATOM 1389 C GLN A 95 -12.505 16.496 2.570 1.00 0.00 C ATOM 1390 O GLN A 95 -12.605 17.430 3.365 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.214 16.566 0.744 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.508 16.578 -0.746 1.00 0.00 C ATOM 1393 CD GLN A 95 -15.993 16.544 -1.049 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.711 17.512 -0.797 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.463 15.427 -1.592 1.00 0.00 N ATOM 0 H GLN A 95 -12.246 14.797 0.368 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.402 17.719 0.822 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.584 15.634 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.765 17.376 1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.071 17.472 -1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.026 15.720 -1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.832 14.649 -1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.455 15.347 -1.817 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.203 15.257 2.946 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.965 14.918 4.344 1.00 0.00 C ATOM 1406 C LYS A 96 -10.570 14.328 4.531 1.00 0.00 C ATOM 1407 O LYS A 96 -10.228 13.291 3.962 1.00 0.00 O ATOM 1408 CB LYS A 96 -13.020 13.926 4.836 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.247 14.590 5.436 1.00 0.00 C ATOM 1410 CD LYS A 96 -14.085 14.813 6.931 1.00 0.00 C ATOM 1411 CE LYS A 96 -14.237 13.514 7.708 1.00 0.00 C ATOM 1412 NZ LYS A 96 -13.593 13.592 9.048 1.00 0.00 N ATOM 0 H LYS A 96 -12.117 14.471 2.301 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.035 15.834 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.330 13.295 4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.570 13.271 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.423 15.545 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.124 13.969 5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.105 15.245 7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.827 15.533 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.296 13.283 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.794 12.696 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.718 12.688 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.578 13.787 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.033 14.356 9.600 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.746 15.002 5.347 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.377 14.561 5.629 1.00 0.00 C ATOM 1428 C PRO A 97 -8.339 13.294 6.476 1.00 0.00 C ATOM 1429 O PRO A 97 -9.368 12.660 6.708 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.777 15.739 6.400 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.947 16.421 7.021 1.00 0.00 C ATOM 1432 CD PRO A 97 -10.088 16.246 6.057 1.00 0.00 C ATOM 0 HA PRO A 97 -7.834 14.309 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.070 15.398 7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.234 16.411 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.185 15.983 7.990 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.738 17.477 7.191 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.043 16.163 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.169 17.090 5.372 1.00 0.00 H new ATOM 1440 N ILE A 98 -7.145 12.932 6.936 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.975 11.741 7.760 1.00 0.00 C ATOM 1442 C ILE A 98 -6.933 12.099 9.241 1.00 0.00 C ATOM 1443 O ILE A 98 -6.498 13.188 9.614 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.687 10.982 7.390 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.386 11.140 5.899 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.817 9.511 7.756 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.378 10.432 5.003 1.00 0.00 C ATOM 0 H ILE A 98 -6.283 13.445 6.752 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.834 11.098 7.569 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.857 11.406 7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.376 12.201 5.649 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.387 10.755 5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.899 8.987 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.990 9.417 8.828 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.655 9.074 7.214 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.102 10.587 3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.372 9.365 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.376 10.833 5.178 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.388 11.174 10.081 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.400 11.392 11.522 1.00 0.00 C ATOM 1461 C GLU A 99 -6.109 12.061 11.984 1.00 0.00 C ATOM 1462 O GLU A 99 -6.114 13.146 12.565 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.591 10.066 12.260 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.913 10.021 13.619 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.492 8.952 14.525 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.734 8.885 14.647 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.704 8.181 15.112 1.00 0.00 O ATOM 0 H GLU A 99 -7.753 10.268 9.788 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.235 12.053 11.755 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.658 9.883 12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.201 9.257 11.642 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.847 9.838 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.011 10.993 14.102 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.973 11.399 11.719 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.652 11.909 12.097 1.00 0.00 C ATOM 1476 C PRO A 100 -3.246 13.130 11.279 1.00 0.00 C ATOM 1477 O PRO A 100 -2.905 14.175 11.833 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.718 10.732 11.801 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.421 9.947 10.748 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.891 10.100 11.029 1.00 0.00 C ATOM 0 HA PRO A 100 -3.626 12.241 13.135 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.744 11.077 11.454 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.544 10.131 12.693 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.173 10.318 9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.125 8.899 10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.478 10.095 10.111 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.267 9.289 11.653 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.286 12.991 9.957 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.921 14.083 9.063 1.00 0.00 C ATOM 1490 C ARG A 101 -4.156 14.875 8.641 1.00 0.00 C ATOM 1491 O ARG A 101 -5.084 14.326 8.046 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.204 13.540 7.826 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.709 13.348 8.024 1.00 0.00 C ATOM 1494 CD ARG A 101 -0.416 12.439 9.208 1.00 0.00 C ATOM 1495 NE ARG A 101 -0.603 11.030 8.875 1.00 0.00 N ATOM 1496 CZ ARG A 101 -0.254 10.031 9.679 1.00 0.00 C ATOM 1497 NH1 ARG A 101 0.297 10.288 10.857 1.00 0.00 N ATOM 1498 NH2 ARG A 101 -0.456 8.774 9.305 1.00 0.00 N ATOM 0 H ARG A 101 -3.567 12.133 9.482 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.248 14.750 9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.651 12.586 7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.367 14.224 6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.273 12.922 7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.234 14.317 8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.609 12.599 9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.069 12.705 10.039 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.025 10.799 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.453 11.253 11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.564 9.520 11.473 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.880 8.573 8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.188 8.009 9.923 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.159 16.168 8.954 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.279 17.034 8.608 1.00 0.00 C ATOM 1514 C ARG A 102 -5.160 17.529 7.170 1.00 0.00 C ATOM 1515 O ARG A 102 -6.096 18.115 6.625 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.344 18.225 9.565 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.135 19.143 9.478 1.00 0.00 C ATOM 1518 CD ARG A 102 -4.341 20.237 8.442 1.00 0.00 C ATOM 1519 NE ARG A 102 -3.309 21.268 8.522 1.00 0.00 N ATOM 1520 CZ ARG A 102 -3.331 22.387 7.806 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -4.327 22.617 6.961 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -2.356 23.277 7.935 1.00 0.00 N ATOM 0 H ARG A 102 -3.399 16.637 9.446 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.197 16.453 8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.244 18.802 9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.436 17.855 10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.948 19.594 10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.251 18.559 9.222 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.337 19.797 7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.321 20.693 8.586 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.529 21.121 9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.078 21.934 6.860 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.342 23.477 6.412 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.589 23.103 8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.373 24.136 7.385 1.00 0.00 H new ATOM 1536 N GLU A 103 -4.002 17.291 6.561 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.761 17.715 5.186 1.00 0.00 C ATOM 1538 C GLU A 103 -4.736 17.036 4.229 1.00 0.00 C ATOM 1539 O GLU A 103 -5.022 15.845 4.357 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.321 17.398 4.777 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.755 18.362 3.747 1.00 0.00 C ATOM 1542 CD GLU A 103 -2.414 18.218 2.389 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -2.032 17.297 1.638 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -3.312 19.028 2.077 1.00 0.00 O ATOM 0 H GLU A 103 -3.217 16.808 6.997 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.917 18.792 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.688 17.415 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.281 16.385 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.884 19.384 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.683 18.192 3.646 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.242 17.802 3.269 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.186 17.274 2.288 1.00 0.00 C ATOM 1553 C LEU A 104 -5.496 17.020 0.951 1.00 0.00 C ATOM 1554 O LEU A 104 -4.283 17.194 0.823 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.349 18.249 2.097 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.529 18.082 3.055 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.638 19.065 2.713 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.050 16.652 3.014 1.00 0.00 C ATOM 0 H LEU A 104 -5.016 18.789 3.148 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.571 16.326 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.966 19.264 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.718 18.147 1.076 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.184 18.294 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.469 18.931 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.259 20.084 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.982 18.886 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.890 16.551 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.379 16.413 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.255 15.967 3.308 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.277 16.609 -0.041 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.742 16.332 -1.370 1.00 0.00 C ATOM 1572 C LEU A 105 -6.186 17.397 -2.369 1.00 0.00 C ATOM 1573 O LEU A 105 -7.011 18.254 -2.053 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.195 14.950 -1.847 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.180 13.840 -0.796 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.843 12.583 -1.337 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.754 13.545 -0.353 1.00 0.00 C ATOM 0 H LEU A 105 -7.282 16.460 0.049 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.654 16.349 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.208 15.037 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.556 14.646 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.746 14.179 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.823 11.804 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.877 12.803 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.305 12.240 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.762 12.752 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.164 13.226 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.313 14.445 0.076 1.00 0.00 H new ATOM 1589 N THR A 106 -5.633 17.336 -3.576 1.00 0.00 N ATOM 1590 CA THR A 106 -5.971 18.294 -4.621 1.00 0.00 C ATOM 1591 C THR A 106 -6.222 17.591 -5.951 1.00 0.00 C ATOM 1592 O THR A 106 -7.262 17.786 -6.578 1.00 0.00 O ATOM 1593 CB THR A 106 -4.855 19.338 -4.809 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.840 18.821 -5.676 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.240 19.719 -3.471 1.00 0.00 C ATOM 0 H THR A 106 -4.949 16.633 -3.854 1.00 0.00 H new ATOM 0 HA THR A 106 -6.882 18.800 -4.302 1.00 0.00 H new ATOM 0 HB THR A 106 -5.294 20.229 -5.257 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.135 19.492 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.454 20.458 -3.629 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.009 20.140 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.815 18.832 -3.000 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.263 16.774 -6.373 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.382 16.041 -7.629 1.00 0.00 C ATOM 1605 C GLN A 107 -4.531 14.776 -7.604 1.00 0.00 C ATOM 1606 O GLN A 107 -3.511 14.698 -6.919 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.963 16.930 -8.802 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.541 17.453 -8.691 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.243 18.551 -9.694 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -3.310 18.336 -10.905 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.912 19.736 -9.194 1.00 0.00 N ATOM 0 H GLN A 107 -4.395 16.603 -5.865 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.425 15.751 -7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.062 16.365 -9.729 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.648 17.775 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.375 17.832 -7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.842 16.630 -8.841 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.869 19.869 -8.184 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.701 20.513 -9.820 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.958 13.760 -8.369 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.249 12.480 -8.452 1.00 0.00 C ATOM 1622 C PRO A 108 -2.918 12.601 -9.185 1.00 0.00 C ATOM 1623 O PRO A 108 -2.799 13.348 -10.157 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.214 11.591 -9.239 1.00 0.00 C ATOM 1625 CG PRO A 108 -6.032 12.540 -10.045 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.166 13.784 -9.211 1.00 0.00 C ATOM 0 HA PRO A 108 -3.996 12.090 -7.466 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.676 10.891 -9.878 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.839 10.998 -8.572 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.550 12.759 -10.998 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.010 12.116 -10.273 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.207 14.680 -9.830 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.075 13.769 -8.610 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.919 11.862 -8.714 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.595 11.888 -9.325 1.00 0.00 C ATOM 1636 C CYS A 109 -0.572 11.061 -10.607 1.00 0.00 C ATOM 1637 O CYS A 109 -1.450 10.228 -10.836 1.00 0.00 O ATOM 1638 CB CYS A 109 0.453 11.359 -8.345 1.00 0.00 C ATOM 1639 SG CYS A 109 2.144 11.392 -8.982 1.00 0.00 S ATOM 0 H CYS A 109 -2.001 11.238 -7.911 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.358 12.922 -9.576 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.410 11.950 -7.430 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.198 10.334 -8.075 1.00 0.00 H new ATOM 0 HG CYS A 109 2.961 11.727 -8.028 1.00 0.00 H new ATOM 1645 N ARG A 110 0.435 11.300 -11.441 1.00 0.00 N ATOM 1646 CA ARG A 110 0.570 10.580 -12.701 1.00 0.00 C ATOM 1647 C ARG A 110 1.804 9.683 -12.686 1.00 0.00 C ATOM 1648 O ARG A 110 2.766 9.946 -11.964 1.00 0.00 O ATOM 1649 CB ARG A 110 0.657 11.564 -13.869 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.085 12.867 -13.623 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.589 12.685 -13.751 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.002 12.492 -15.138 1.00 0.00 N ATOM 1653 CZ ARG A 110 -2.169 13.489 -16.000 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -1.961 14.741 -15.620 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -2.546 13.233 -17.247 1.00 0.00 N ATOM 0 H ARG A 110 1.169 11.987 -11.267 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.313 9.953 -12.827 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.705 11.785 -14.070 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.254 11.089 -14.764 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.154 13.240 -12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.253 13.620 -14.335 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.902 11.826 -13.157 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.096 13.558 -13.340 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.172 11.540 -15.463 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.672 14.942 -14.663 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.090 15.504 -16.285 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.708 12.271 -17.544 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.674 13.999 -17.908 1.00 0.00 H new ATOM 1669 N GLN A 111 1.769 8.622 -13.486 1.00 0.00 N ATOM 1670 CA GLN A 111 2.885 7.687 -13.563 1.00 0.00 C ATOM 1671 C GLN A 111 4.115 8.354 -14.168 1.00 0.00 C ATOM 1672 O GLN A 111 4.003 9.325 -14.917 1.00 0.00 O ATOM 1673 CB GLN A 111 2.495 6.461 -14.393 1.00 0.00 C ATOM 1674 CG GLN A 111 1.386 5.630 -13.766 1.00 0.00 C ATOM 1675 CD GLN A 111 0.003 6.098 -14.177 1.00 0.00 C ATOM 1676 OE1 GLN A 111 -0.155 6.805 -15.171 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -1.007 5.703 -13.410 1.00 0.00 N ATOM 0 H GLN A 111 0.980 8.389 -14.089 1.00 0.00 H new ATOM 0 HA GLN A 111 3.129 7.369 -12.549 1.00 0.00 H new ATOM 0 HB2 GLN A 111 2.177 6.789 -15.383 1.00 0.00 H new ATOM 0 HB3 GLN A 111 3.374 5.832 -14.533 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.513 4.586 -14.053 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.473 5.675 -12.680 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.829 5.117 -12.595 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -1.960 5.986 -13.636 1.00 0.00 H new ATOM 1686 N LYS A 112 5.290 7.827 -13.839 1.00 0.00 N ATOM 1687 CA LYS A 112 6.542 8.370 -14.350 1.00 0.00 C ATOM 1688 C LYS A 112 6.570 8.335 -15.876 1.00 0.00 C ATOM 1689 O LYS A 112 7.066 7.381 -16.474 1.00 0.00 O ATOM 1690 CB LYS A 112 7.730 7.584 -13.790 1.00 0.00 C ATOM 1691 CG LYS A 112 8.230 8.107 -12.455 1.00 0.00 C ATOM 1692 CD LYS A 112 9.121 7.093 -11.758 1.00 0.00 C ATOM 1693 CE LYS A 112 8.313 5.935 -11.192 1.00 0.00 C ATOM 1694 NZ LYS A 112 9.175 4.952 -10.481 1.00 0.00 N ATOM 0 H LYS A 112 5.401 7.024 -13.220 1.00 0.00 H new ATOM 0 HA LYS A 112 6.616 9.408 -14.027 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.442 6.539 -13.677 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.547 7.613 -14.511 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.783 9.033 -12.610 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.380 8.347 -11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.860 6.712 -12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.670 7.582 -10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.559 6.320 -10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.782 5.434 -12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.587 4.179 -10.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.879 4.565 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.663 5.424 -9.693 1.00 0.00 H new