USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 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 104 ASN : amide:sc= -0.582 K(o=-0.14,f=-1.8!) USER MOD Set 1.2: A 106 THR OG1 : rot -62:sc= 0.438 USER MOD Set 2.1: A 56 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Set 2.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 83 MET CE :methyl 180:sc= -3.67! (180deg=-3.09!) USER MOD Set 3.2: A 111 SER OG : rot 66:sc= 0.691 USER MOD Set 4.1: A 68 GLN : amide:sc= -0.657 K(o=-1,f=-3.2) USER MOD Set 4.2: A 71 HIS : no HD1:sc= -0.372 K(o=-1,f=-2.4) USER MOD Set 5.1: A 49 CYS SG : rot 118:sc= 0.0265 USER MOD Set 5.2: A 75 ASN : amide:sc= -0.998! C(o=-0.97!,f=-10!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -111:sc= 0.0112 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 67:sc= 1.25 USER MOD Single : A 30 THR OG1 : rot -120:sc= 0.133 USER MOD Single : A 33 SER OG : rot 30:sc= 0.0508 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.81 F(o=-4!,f=-1.8) USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.573) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0821 USER MOD Single : A 50 THR OG1 : rot 31:sc= 0.201 USER MOD Single : A 52 MET CE :methyl 161:sc= -0.0295 (180deg=-0.834) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.661 F(o=-1.3,f=-0.66) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.0412 (180deg=-0.293) USER MOD Single : A 59 SER OG : rot -81:sc= -0.615 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.37 K(o=-2.4,f=-3.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -4.26! C(o=-4.3!,f=-5.3!) USER MOD Single : A 72 GLN : amide:sc= -1.75! K(o=-1.8!,f=-3.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.076 K(o=-0.076,f=-1.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.802 USER MOD Single : A 88 MET CE :methyl -176:sc= -3.55! (180deg=-3.61!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -3.27! X(o=-3.3!,f=-3.1) USER MOD Single : A 102 SER OG : rot -9:sc= 0.472 USER MOD Single : A 105 MET CE :methyl 159:sc= -1.11 (180deg=-3.24!) USER MOD Single : A 107 GLN : amide:sc= -0.904 X(o=-0.9,f=-0.52) USER MOD Single : A 109 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.16) USER MOD Single : A 118 LYS NZ :NH3+ -113:sc= 0.183 (180deg=-0.183) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.300 -11.957 9.231 1.00 0.00 N ATOM 197 CA ASP A 15 6.430 -12.794 8.845 1.00 0.00 C ATOM 198 C ASP A 15 7.743 -12.030 8.979 1.00 0.00 C ATOM 199 O ASP A 15 7.932 -10.962 8.393 1.00 0.00 O ATOM 200 CB ASP A 15 6.257 -13.287 7.406 1.00 0.00 C ATOM 201 CG ASP A 15 6.770 -14.701 7.214 1.00 0.00 C ATOM 202 OD1 ASP A 15 7.867 -15.010 7.725 1.00 0.00 O ATOM 203 OD2 ASP A 15 6.073 -15.500 6.555 1.00 0.00 O ATOM 0 HA ASP A 15 6.461 -13.653 9.515 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.202 -13.246 7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.786 -12.616 6.729 1.00 0.00 H new ATOM 208 N PRO A 16 8.673 -12.585 9.769 1.00 0.00 N ATOM 209 CA PRO A 16 9.985 -11.972 10.000 1.00 0.00 C ATOM 210 C PRO A 16 10.871 -12.017 8.760 1.00 0.00 C ATOM 211 O PRO A 16 11.866 -11.297 8.672 1.00 0.00 O ATOM 212 CB PRO A 16 10.586 -12.829 11.116 1.00 0.00 C ATOM 213 CG PRO A 16 9.908 -14.150 10.987 1.00 0.00 C ATOM 214 CD PRO A 16 8.517 -13.855 10.498 1.00 0.00 C ATOM 0 HA PRO A 16 9.902 -10.915 10.253 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.666 -12.926 11.003 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.406 -12.386 12.096 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.439 -14.795 10.287 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.883 -14.671 11.944 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.143 -14.647 9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.812 -13.760 11.324 1.00 0.00 H new ATOM 222 N GLN A 17 10.504 -12.864 7.804 1.00 0.00 N ATOM 223 CA GLN A 17 11.267 -13.001 6.569 1.00 0.00 C ATOM 224 C GLN A 17 10.692 -12.111 5.473 1.00 0.00 C ATOM 225 O GLN A 17 11.418 -11.634 4.599 1.00 0.00 O ATOM 226 CB GLN A 17 11.273 -14.459 6.108 1.00 0.00 C ATOM 227 CG GLN A 17 10.027 -14.857 5.335 1.00 0.00 C ATOM 228 CD GLN A 17 10.240 -16.091 4.480 1.00 0.00 C ATOM 229 OE1 GLN A 17 10.710 -16.001 3.345 1.00 0.00 O ATOM 230 NE2 GLN A 17 9.895 -17.253 5.021 1.00 0.00 N ATOM 0 H GLN A 17 9.683 -13.466 7.861 1.00 0.00 H new ATOM 0 HA GLN A 17 12.291 -12.686 6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.149 -14.630 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.372 -15.107 6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.213 -15.041 6.036 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.718 -14.028 4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.509 -17.282 5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.016 -18.117 4.493 1.00 0.00 H new ATOM 239 N LYS A 18 9.383 -11.888 5.523 1.00 0.00 N ATOM 240 CA LYS A 18 8.709 -11.054 4.536 1.00 0.00 C ATOM 241 C LYS A 18 9.074 -9.585 4.723 1.00 0.00 C ATOM 242 O LYS A 18 9.385 -8.886 3.760 1.00 0.00 O ATOM 243 CB LYS A 18 7.192 -11.231 4.639 1.00 0.00 C ATOM 244 CG LYS A 18 6.723 -12.644 4.344 1.00 0.00 C ATOM 245 CD LYS A 18 6.857 -12.980 2.868 1.00 0.00 C ATOM 246 CE LYS A 18 5.801 -13.981 2.425 1.00 0.00 C ATOM 247 NZ LYS A 18 5.936 -14.330 0.984 1.00 0.00 N ATOM 0 H LYS A 18 8.767 -12.274 6.238 1.00 0.00 H new ATOM 0 HA LYS A 18 9.039 -11.368 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.870 -10.952 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.707 -10.544 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.305 -13.352 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.683 -12.754 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.766 -12.069 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.849 -13.388 2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.884 -14.886 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.809 -13.567 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.131 -13.938 0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.822 -13.931 0.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.950 -15.364 0.877 1.00 0.00 H new ATOM 261 N GLU A 19 9.037 -9.125 5.970 1.00 0.00 N ATOM 262 CA GLU A 19 9.365 -7.739 6.283 1.00 0.00 C ATOM 263 C GLU A 19 10.500 -7.235 5.396 1.00 0.00 C ATOM 264 O GLU A 19 10.514 -6.075 4.988 1.00 0.00 O ATOM 265 CB GLU A 19 9.757 -7.605 7.756 1.00 0.00 C ATOM 266 CG GLU A 19 9.910 -6.164 8.215 1.00 0.00 C ATOM 267 CD GLU A 19 10.905 -6.017 9.350 1.00 0.00 C ATOM 268 OE1 GLU A 19 11.958 -6.686 9.305 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.631 -5.233 10.283 1.00 0.00 O ATOM 0 H GLU A 19 8.783 -9.692 6.779 1.00 0.00 H new ATOM 0 HA GLU A 19 8.481 -7.131 6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.002 -8.095 8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.696 -8.133 7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.231 -5.550 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.940 -5.783 8.535 1.00 0.00 H new ATOM 276 N ALA A 20 11.450 -8.118 5.101 1.00 0.00 N ATOM 277 CA ALA A 20 12.587 -7.764 4.262 1.00 0.00 C ATOM 278 C ALA A 20 12.214 -7.810 2.784 1.00 0.00 C ATOM 279 O ALA A 20 12.623 -6.950 2.005 1.00 0.00 O ATOM 280 CB ALA A 20 13.759 -8.694 4.541 1.00 0.00 C ATOM 0 H ALA A 20 11.454 -9.083 5.431 1.00 0.00 H new ATOM 0 HA ALA A 20 12.882 -6.743 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.602 -8.418 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.050 -8.609 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.466 -9.722 4.328 1.00 0.00 H new ATOM 286 N GLU A 21 11.437 -8.819 2.406 1.00 0.00 N ATOM 287 CA GLU A 21 11.010 -8.977 1.020 1.00 0.00 C ATOM 288 C GLU A 21 10.280 -7.729 0.530 1.00 0.00 C ATOM 289 O GLU A 21 10.529 -7.243 -0.574 1.00 0.00 O ATOM 290 CB GLU A 21 10.103 -10.201 0.877 1.00 0.00 C ATOM 291 CG GLU A 21 10.754 -11.497 1.332 1.00 0.00 C ATOM 292 CD GLU A 21 10.068 -12.724 0.766 1.00 0.00 C ATOM 293 OE1 GLU A 21 8.821 -12.722 0.686 1.00 0.00 O ATOM 294 OE2 GLU A 21 10.775 -13.686 0.402 1.00 0.00 O ATOM 0 H GLU A 21 11.090 -9.539 3.039 1.00 0.00 H new ATOM 0 HA GLU A 21 11.900 -9.121 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.193 -10.038 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.804 -10.301 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.801 -11.499 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.737 -11.545 2.421 1.00 0.00 H new ATOM 301 N LEU A 22 9.378 -7.216 1.359 1.00 0.00 N ATOM 302 CA LEU A 22 8.610 -6.025 1.011 1.00 0.00 C ATOM 303 C LEU A 22 9.530 -4.828 0.793 1.00 0.00 C ATOM 304 O LEU A 22 9.633 -4.307 -0.316 1.00 0.00 O ATOM 305 CB LEU A 22 7.595 -5.710 2.112 1.00 0.00 C ATOM 306 CG LEU A 22 6.499 -6.752 2.334 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.647 -6.384 3.538 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.635 -6.890 1.089 1.00 0.00 C ATOM 0 H LEU A 22 9.160 -7.605 2.276 1.00 0.00 H new ATOM 0 HA LEU A 22 8.078 -6.224 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.136 -5.576 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.120 -4.757 1.879 1.00 0.00 H new ATOM 0 HG LEU A 22 6.973 -7.713 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.872 -7.138 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.275 -6.337 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.182 -5.413 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.860 -7.636 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.170 -5.931 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.255 -7.202 0.249 1.00 0.00 H new ATOM 320 N ARG A 23 10.197 -4.400 1.860 1.00 0.00 N ATOM 321 CA ARG A 23 11.109 -3.265 1.784 1.00 0.00 C ATOM 322 C ARG A 23 12.051 -3.402 0.592 1.00 0.00 C ATOM 323 O ARG A 23 12.400 -2.414 -0.055 1.00 0.00 O ATOM 324 CB ARG A 23 11.920 -3.149 3.077 1.00 0.00 C ATOM 325 CG ARG A 23 12.704 -4.405 3.419 1.00 0.00 C ATOM 326 CD ARG A 23 13.508 -4.229 4.698 1.00 0.00 C ATOM 327 NE ARG A 23 14.640 -5.150 4.765 1.00 0.00 N ATOM 328 CZ ARG A 23 15.686 -4.972 5.562 1.00 0.00 C ATOM 329 NH1 ARG A 23 15.746 -3.912 6.356 1.00 0.00 N ATOM 330 NH2 ARG A 23 16.677 -5.855 5.566 1.00 0.00 N ATOM 0 H ARG A 23 10.123 -4.821 2.786 1.00 0.00 H new ATOM 0 HA ARG A 23 10.514 -2.361 1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.612 -2.312 2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.244 -2.917 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.018 -5.244 3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.376 -4.651 2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.871 -3.203 4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.859 -4.389 5.559 1.00 0.00 H new ATOM 0 HE ARG A 23 14.626 -5.976 4.166 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.987 -3.231 6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.551 -3.778 6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.635 -6.671 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.480 -5.717 6.179 1.00 0.00 H new ATOM 344 N THR A 24 12.459 -4.634 0.306 1.00 0.00 N ATOM 345 CA THR A 24 13.361 -4.902 -0.807 1.00 0.00 C ATOM 346 C THR A 24 12.643 -4.760 -2.144 1.00 0.00 C ATOM 347 O THR A 24 13.261 -4.452 -3.163 1.00 0.00 O ATOM 348 CB THR A 24 13.969 -6.314 -0.712 1.00 0.00 C ATOM 349 OG1 THR A 24 14.675 -6.461 0.526 1.00 0.00 O ATOM 350 CG2 THR A 24 14.914 -6.576 -1.875 1.00 0.00 C ATOM 0 H THR A 24 12.179 -5.463 0.830 1.00 0.00 H new ATOM 0 HA THR A 24 14.162 -4.165 -0.747 1.00 0.00 H new ATOM 0 HB THR A 24 13.156 -7.039 -0.755 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.039 -6.434 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.331 -7.579 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.367 -6.492 -2.814 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.722 -5.845 -1.859 1.00 0.00 H new ATOM 358 N TRP A 25 11.333 -4.984 -2.133 1.00 0.00 N ATOM 359 CA TRP A 25 10.530 -4.880 -3.345 1.00 0.00 C ATOM 360 C TRP A 25 10.036 -3.452 -3.550 1.00 0.00 C ATOM 361 O TRP A 25 9.759 -3.037 -4.676 1.00 0.00 O ATOM 362 CB TRP A 25 9.341 -5.840 -3.278 1.00 0.00 C ATOM 363 CG TRP A 25 8.221 -5.463 -4.200 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.206 -5.576 -5.561 1.00 0.00 C ATOM 365 CD2 TRP A 25 6.954 -4.910 -3.828 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.006 -5.128 -6.057 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.220 -4.715 -5.015 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.367 -4.564 -2.608 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.931 -4.187 -5.014 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.087 -4.040 -2.609 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.381 -3.857 -3.806 1.00 0.00 C ATOM 0 H TRP A 25 10.805 -5.239 -1.298 1.00 0.00 H new ATOM 0 HA TRP A 25 11.159 -5.152 -4.192 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.681 -6.846 -3.523 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.965 -5.871 -2.255 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.018 -5.961 -6.159 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.743 -5.107 -7.042 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.903 -4.703 -1.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.385 -4.043 -5.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.624 -3.767 -1.672 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.382 -3.447 -3.774 1.00 0.00 H new ATOM 382 N ILE A 26 9.928 -2.705 -2.457 1.00 0.00 N ATOM 383 CA ILE A 26 9.469 -1.323 -2.519 1.00 0.00 C ATOM 384 C ILE A 26 10.639 -0.362 -2.693 1.00 0.00 C ATOM 385 O ILE A 26 10.554 0.603 -3.454 1.00 0.00 O ATOM 386 CB ILE A 26 8.685 -0.934 -1.251 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.595 -1.968 -0.962 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.079 0.453 -1.408 1.00 0.00 C ATOM 389 CD1 ILE A 26 6.936 -1.790 0.389 1.00 0.00 C ATOM 0 H ILE A 26 10.152 -3.033 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 26 8.809 -1.248 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 26 9.374 -0.915 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.833 -1.908 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.029 -2.966 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.528 0.714 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.874 1.181 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.400 0.459 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.174 -2.557 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.686 -1.879 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.472 -0.805 0.441 1.00 0.00 H new ATOM 401 N GLU A 27 11.732 -0.634 -1.987 1.00 0.00 N ATOM 402 CA GLU A 27 12.921 0.207 -2.066 1.00 0.00 C ATOM 403 C GLU A 27 13.388 0.354 -3.512 1.00 0.00 C ATOM 404 O GLU A 27 13.900 1.401 -3.907 1.00 0.00 O ATOM 405 CB GLU A 27 14.046 -0.381 -1.214 1.00 0.00 C ATOM 406 CG GLU A 27 13.998 0.055 0.242 1.00 0.00 C ATOM 407 CD GLU A 27 15.361 0.022 0.907 1.00 0.00 C ATOM 408 OE1 GLU A 27 16.373 0.163 0.189 1.00 0.00 O ATOM 409 OE2 GLU A 27 15.414 -0.147 2.142 1.00 0.00 O ATOM 0 H GLU A 27 11.819 -1.429 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 27 12.662 1.194 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.995 -1.469 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.005 -0.088 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.593 1.065 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.315 -0.595 0.789 1.00 0.00 H new ATOM 416 N GLY A 28 13.207 -0.703 -4.297 1.00 0.00 N ATOM 417 CA GLY A 28 13.615 -0.671 -5.690 1.00 0.00 C ATOM 418 C GLY A 28 12.583 -0.011 -6.582 1.00 0.00 C ATOM 419 O GLY A 28 12.930 0.653 -7.560 1.00 0.00 O ATOM 0 H GLY A 28 12.785 -1.581 -3.994 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.561 -0.136 -5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.792 -1.689 -6.037 1.00 0.00 H new ATOM 423 N LEU A 29 11.310 -0.191 -6.245 1.00 0.00 N ATOM 424 CA LEU A 29 10.223 0.392 -7.025 1.00 0.00 C ATOM 425 C LEU A 29 10.318 1.915 -7.038 1.00 0.00 C ATOM 426 O LEU A 29 10.428 2.532 -8.098 1.00 0.00 O ATOM 427 CB LEU A 29 8.872 -0.041 -6.454 1.00 0.00 C ATOM 428 CG LEU A 29 8.273 -1.318 -7.044 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.184 -1.867 -6.133 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.721 -1.056 -8.438 1.00 0.00 C ATOM 0 H LEU A 29 11.005 -0.735 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 29 10.310 0.032 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.982 -0.178 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.161 0.772 -6.601 1.00 0.00 H new ATOM 0 HG LEU A 29 9.064 -2.064 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.769 -2.776 -6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.608 -2.094 -5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.394 -1.124 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.299 -1.977 -8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.944 -0.294 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.524 -0.710 -9.088 1.00 0.00 H new ATOM 442 N THR A 30 10.278 2.515 -5.852 1.00 0.00 N ATOM 443 CA THR A 30 10.361 3.965 -5.726 1.00 0.00 C ATOM 444 C THR A 30 11.811 4.435 -5.729 1.00 0.00 C ATOM 445 O THR A 30 12.116 5.537 -6.182 1.00 0.00 O ATOM 446 CB THR A 30 9.676 4.457 -4.438 1.00 0.00 C ATOM 447 OG1 THR A 30 10.484 4.137 -3.301 1.00 0.00 O ATOM 448 CG2 THR A 30 8.300 3.826 -4.281 1.00 0.00 C ATOM 0 H THR A 30 10.189 2.019 -4.965 1.00 0.00 H new ATOM 0 HA THR A 30 9.844 4.387 -6.587 1.00 0.00 H new ATOM 0 HB THR A 30 9.557 5.538 -4.507 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.979 3.557 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.836 4.189 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.677 4.095 -5.134 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.400 2.742 -4.232 1.00 0.00 H new ATOM 456 N GLY A 31 12.703 3.591 -5.218 1.00 0.00 N ATOM 457 CA GLY A 31 14.111 3.938 -5.173 1.00 0.00 C ATOM 458 C GLY A 31 14.461 4.779 -3.961 1.00 0.00 C ATOM 459 O GLY A 31 15.538 5.374 -3.898 1.00 0.00 O ATOM 0 H GLY A 31 12.475 2.674 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.707 3.025 -5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.377 4.483 -6.079 1.00 0.00 H new ATOM 463 N LEU A 32 13.550 4.832 -2.996 1.00 0.00 N ATOM 464 CA LEU A 32 13.766 5.609 -1.780 1.00 0.00 C ATOM 465 C LEU A 32 14.241 4.713 -0.640 1.00 0.00 C ATOM 466 O LEU A 32 14.277 3.490 -0.772 1.00 0.00 O ATOM 467 CB LEU A 32 12.479 6.330 -1.376 1.00 0.00 C ATOM 468 CG LEU A 32 11.923 7.330 -2.389 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.481 7.680 -2.059 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.783 8.584 -2.427 1.00 0.00 C ATOM 0 H LEU A 32 12.654 4.346 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 32 14.540 6.349 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.713 5.580 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.660 6.856 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 32 11.945 6.868 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.103 8.393 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.872 6.776 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.432 8.122 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.372 9.285 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.793 9.048 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.801 8.319 -2.714 1.00 0.00 H new ATOM 482 N SER A 33 14.602 5.332 0.480 1.00 0.00 N ATOM 483 CA SER A 33 15.077 4.591 1.643 1.00 0.00 C ATOM 484 C SER A 33 14.066 4.666 2.784 1.00 0.00 C ATOM 485 O SER A 33 13.581 5.745 3.127 1.00 0.00 O ATOM 486 CB SER A 33 16.428 5.138 2.106 1.00 0.00 C ATOM 487 OG SER A 33 16.375 6.543 2.283 1.00 0.00 O ATOM 0 H SER A 33 14.575 6.344 0.607 1.00 0.00 H new ATOM 0 HA SER A 33 15.196 3.547 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.715 4.661 3.043 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.195 4.889 1.373 1.00 0.00 H new ATOM 0 HG SER A 33 15.468 6.806 2.546 1.00 0.00 H new ATOM 493 N ILE A 34 13.754 3.514 3.366 1.00 0.00 N ATOM 494 CA ILE A 34 12.803 3.449 4.469 1.00 0.00 C ATOM 495 C ILE A 34 13.452 3.870 5.782 1.00 0.00 C ATOM 496 O ILE A 34 12.862 4.603 6.572 1.00 0.00 O ATOM 497 CB ILE A 34 12.222 2.030 4.628 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.488 1.610 3.353 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.288 1.972 5.827 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.476 0.114 3.129 1.00 0.00 C ATOM 0 H ILE A 34 14.146 2.613 3.093 1.00 0.00 H new ATOM 0 HA ILE A 34 11.995 4.140 4.229 1.00 0.00 H new ATOM 0 HB ILE A 34 13.043 1.334 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.460 1.971 3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.958 2.094 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.886 0.964 5.926 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.839 2.233 6.730 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.469 2.677 5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.939 -0.112 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.500 -0.250 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.980 -0.375 3.967 1.00 0.00 H new ATOM 512 N GLY A 35 14.677 3.402 6.007 1.00 0.00 N ATOM 513 CA GLY A 35 15.389 3.742 7.225 1.00 0.00 C ATOM 514 C GLY A 35 15.552 2.554 8.151 1.00 0.00 C ATOM 515 O GLY A 35 15.267 1.412 7.790 1.00 0.00 O ATOM 0 H GLY A 35 15.188 2.794 5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.372 4.137 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.853 4.535 7.747 1.00 0.00 H new ATOM 519 N PRO A 36 16.023 2.818 9.381 1.00 0.00 N ATOM 520 CA PRO A 36 16.234 1.775 10.387 1.00 0.00 C ATOM 521 C PRO A 36 14.923 1.195 10.908 1.00 0.00 C ATOM 522 O PRO A 36 14.832 0.002 11.196 1.00 0.00 O ATOM 523 CB PRO A 36 16.977 2.508 11.507 1.00 0.00 C ATOM 524 CG PRO A 36 16.578 3.935 11.355 1.00 0.00 C ATOM 525 CD PRO A 36 16.383 4.155 9.880 1.00 0.00 C ATOM 0 HA PRO A 36 16.779 0.923 9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.698 2.121 12.487 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.056 2.386 11.412 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.661 4.145 11.906 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.346 4.599 11.751 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.596 4.883 9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.290 4.530 9.406 1.00 0.00 H new ATOM 533 N ASP A 37 13.912 2.047 11.024 1.00 0.00 N ATOM 534 CA ASP A 37 12.604 1.620 11.509 1.00 0.00 C ATOM 535 C ASP A 37 11.583 1.607 10.376 1.00 0.00 C ATOM 536 O ASP A 37 11.292 2.642 9.777 1.00 0.00 O ATOM 537 CB ASP A 37 12.126 2.541 12.633 1.00 0.00 C ATOM 538 CG ASP A 37 13.087 2.572 13.804 1.00 0.00 C ATOM 539 OD1 ASP A 37 12.984 1.687 14.679 1.00 0.00 O ATOM 540 OD2 ASP A 37 13.943 3.481 13.847 1.00 0.00 O ATOM 0 H ASP A 37 13.972 3.038 10.789 1.00 0.00 H new ATOM 0 HA ASP A 37 12.702 0.607 11.898 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.001 3.551 12.243 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.147 2.209 12.979 1.00 0.00 H new ATOM 545 N PHE A 38 11.042 0.428 10.087 1.00 0.00 N ATOM 546 CA PHE A 38 10.054 0.279 9.025 1.00 0.00 C ATOM 547 C PHE A 38 8.798 1.088 9.334 1.00 0.00 C ATOM 548 O PHE A 38 8.449 2.015 8.602 1.00 0.00 O ATOM 549 CB PHE A 38 9.692 -1.196 8.838 1.00 0.00 C ATOM 550 CG PHE A 38 8.931 -1.471 7.573 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.498 -1.208 6.336 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.648 -1.993 7.620 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.799 -1.460 5.171 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.945 -2.247 6.459 1.00 0.00 C ATOM 555 CZ PHE A 38 7.521 -1.981 5.232 1.00 0.00 C ATOM 0 H PHE A 38 11.271 -0.439 10.574 1.00 0.00 H new ATOM 0 HA PHE A 38 10.491 0.658 8.101 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.607 -1.789 8.839 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.097 -1.527 9.689 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.497 -0.802 6.282 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.193 -2.204 8.576 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.252 -1.250 4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.946 -2.653 6.510 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.974 -2.180 4.323 1.00 0.00 H new ATOM 565 N GLN A 39 8.123 0.728 10.420 1.00 0.00 N ATOM 566 CA GLN A 39 6.903 1.420 10.825 1.00 0.00 C ATOM 567 C GLN A 39 7.078 2.932 10.727 1.00 0.00 C ATOM 568 O GLN A 39 6.165 3.648 10.317 1.00 0.00 O ATOM 569 CB GLN A 39 6.520 1.029 12.253 1.00 0.00 C ATOM 570 CG GLN A 39 5.197 1.619 12.711 1.00 0.00 C ATOM 571 CD GLN A 39 5.357 2.983 13.352 1.00 0.00 C ATOM 572 OE1 GLN A 39 4.885 4.019 12.668 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 5.900 3.106 14.451 1.00 0.00 N flip ATOM 0 H GLN A 39 8.399 -0.037 11.035 1.00 0.00 H new ATOM 0 HA GLN A 39 6.103 1.121 10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.467 -0.058 12.321 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.308 1.353 12.933 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.525 1.700 11.857 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.728 0.940 13.423 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.249 2.283 14.943 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.001 4.031 14.869 1.00 0.00 H new ATOM 582 N LYS A 40 8.256 3.411 11.110 1.00 0.00 N ATOM 583 CA LYS A 40 8.551 4.839 11.066 1.00 0.00 C ATOM 584 C LYS A 40 8.714 5.318 9.627 1.00 0.00 C ATOM 585 O LYS A 40 7.877 6.056 9.110 1.00 0.00 O ATOM 586 CB LYS A 40 9.823 5.142 11.861 1.00 0.00 C ATOM 587 CG LYS A 40 9.817 4.559 13.264 1.00 0.00 C ATOM 588 CD LYS A 40 8.812 5.267 14.157 1.00 0.00 C ATOM 589 CE LYS A 40 9.444 6.437 14.893 1.00 0.00 C ATOM 590 NZ LYS A 40 9.318 7.707 14.127 1.00 0.00 N ATOM 0 H LYS A 40 9.022 2.832 11.454 1.00 0.00 H new ATOM 0 HA LYS A 40 7.712 5.371 11.515 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.683 4.750 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.952 6.222 11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.578 3.497 13.217 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.813 4.643 13.698 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.977 5.624 13.554 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.404 4.560 14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.969 6.552 15.868 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.498 6.225 15.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.373 8.514 14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.089 7.772 13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.404 7.724 13.632 1.00 0.00 H new ATOM 604 N GLY A 41 9.796 4.889 8.984 1.00 0.00 N ATOM 605 CA GLY A 41 10.047 5.283 7.610 1.00 0.00 C ATOM 606 C GLY A 41 8.773 5.394 6.797 1.00 0.00 C ATOM 607 O GLY A 41 8.667 6.238 5.905 1.00 0.00 O ATOM 0 H GLY A 41 10.503 4.276 9.390 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.566 6.241 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.711 4.556 7.142 1.00 0.00 H new ATOM 611 N LEU A 42 7.802 4.540 7.103 1.00 0.00 N ATOM 612 CA LEU A 42 6.527 4.544 6.392 1.00 0.00 C ATOM 613 C LEU A 42 5.501 5.405 7.121 1.00 0.00 C ATOM 614 O LEU A 42 4.646 6.034 6.497 1.00 0.00 O ATOM 615 CB LEU A 42 5.999 3.116 6.242 1.00 0.00 C ATOM 616 CG LEU A 42 6.978 2.097 5.659 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.361 0.708 5.652 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.397 2.503 4.254 1.00 0.00 C ATOM 0 H LEU A 42 7.873 3.836 7.838 1.00 0.00 H new ATOM 0 HA LEU A 42 6.692 4.968 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.679 2.763 7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.113 3.142 5.608 1.00 0.00 H new ATOM 0 HG LEU A 42 7.867 2.074 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.072 -0.004 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.112 0.415 6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.455 0.715 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.094 1.766 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.517 2.555 3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.881 3.479 4.286 1.00 0.00 H new ATOM 630 N LYS A 43 5.591 5.429 8.446 1.00 0.00 N ATOM 631 CA LYS A 43 4.673 6.215 9.262 1.00 0.00 C ATOM 632 C LYS A 43 4.302 7.518 8.563 1.00 0.00 C ATOM 633 O LYS A 43 3.194 7.662 8.044 1.00 0.00 O ATOM 634 CB LYS A 43 5.300 6.516 10.625 1.00 0.00 C ATOM 635 CG LYS A 43 4.414 7.356 11.530 1.00 0.00 C ATOM 636 CD LYS A 43 5.231 8.105 12.570 1.00 0.00 C ATOM 637 CE LYS A 43 4.387 9.136 13.304 1.00 0.00 C ATOM 638 NZ LYS A 43 4.928 9.433 14.660 1.00 0.00 N ATOM 0 H LYS A 43 6.291 4.913 8.978 1.00 0.00 H new ATOM 0 HA LYS A 43 3.765 5.630 9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.529 5.575 11.126 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.246 7.035 10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.848 8.068 10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.689 6.713 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.647 7.397 13.287 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.073 8.600 12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.347 10.055 12.720 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.364 8.771 13.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.325 10.140 15.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.942 8.561 15.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.895 9.806 14.574 1.00 0.00 H new ATOM 652 N ASP A 44 5.235 8.463 8.550 1.00 0.00 N ATOM 653 CA ASP A 44 5.006 9.754 7.911 1.00 0.00 C ATOM 654 C ASP A 44 4.170 9.594 6.645 1.00 0.00 C ATOM 655 O ASP A 44 3.334 10.440 6.330 1.00 0.00 O ATOM 656 CB ASP A 44 6.340 10.424 7.573 1.00 0.00 C ATOM 657 CG ASP A 44 7.411 10.133 8.606 1.00 0.00 C ATOM 658 OD1 ASP A 44 7.969 9.016 8.585 1.00 0.00 O ATOM 659 OD2 ASP A 44 7.692 11.023 9.435 1.00 0.00 O ATOM 0 H ASP A 44 6.157 8.360 8.974 1.00 0.00 H new ATOM 0 HA ASP A 44 4.457 10.385 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.679 10.080 6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.194 11.502 7.499 1.00 0.00 H new ATOM 664 N GLY A 45 4.401 8.502 5.923 1.00 0.00 N ATOM 665 CA GLY A 45 3.661 8.251 4.700 1.00 0.00 C ATOM 666 C GLY A 45 4.294 8.916 3.493 1.00 0.00 C ATOM 667 O GLY A 45 3.601 9.510 2.667 1.00 0.00 O ATOM 0 H GLY A 45 5.087 7.787 6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.601 7.176 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.639 8.613 4.816 1.00 0.00 H new ATOM 671 N THR A 46 5.616 8.818 3.391 1.00 0.00 N ATOM 672 CA THR A 46 6.342 9.417 2.278 1.00 0.00 C ATOM 673 C THR A 46 6.558 8.408 1.156 1.00 0.00 C ATOM 674 O THR A 46 6.223 8.672 0.000 1.00 0.00 O ATOM 675 CB THR A 46 7.710 9.965 2.730 1.00 0.00 C ATOM 676 OG1 THR A 46 8.463 8.932 3.375 1.00 0.00 O ATOM 677 CG2 THR A 46 7.534 11.140 3.681 1.00 0.00 C ATOM 0 H THR A 46 6.205 8.330 4.065 1.00 0.00 H new ATOM 0 HA THR A 46 5.732 10.241 1.909 1.00 0.00 H new ATOM 0 HB THR A 46 8.249 10.309 1.847 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.331 9.288 3.658 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.512 11.510 3.987 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.986 11.936 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.978 10.816 4.561 1.00 0.00 H new ATOM 685 N ILE A 47 7.117 7.254 1.503 1.00 0.00 N ATOM 686 CA ILE A 47 7.375 6.206 0.523 1.00 0.00 C ATOM 687 C ILE A 47 6.091 5.472 0.152 1.00 0.00 C ATOM 688 O ILE A 47 5.711 5.414 -1.018 1.00 0.00 O ATOM 689 CB ILE A 47 8.403 5.186 1.047 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.741 5.874 1.324 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.580 4.052 0.050 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.535 5.225 2.436 1.00 0.00 C ATOM 0 H ILE A 47 7.400 7.021 2.455 1.00 0.00 H new ATOM 0 HA ILE A 47 7.780 6.695 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 47 8.032 4.766 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.338 5.870 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.558 6.917 1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.310 3.340 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.625 3.548 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.932 4.454 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.471 5.765 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.957 5.253 3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.750 4.189 2.173 1.00 0.00 H new ATOM 704 N LEU A 48 5.423 4.915 1.157 1.00 0.00 N ATOM 705 CA LEU A 48 4.179 4.186 0.937 1.00 0.00 C ATOM 706 C LEU A 48 3.372 4.814 -0.195 1.00 0.00 C ATOM 707 O LEU A 48 2.678 4.118 -0.936 1.00 0.00 O ATOM 708 CB LEU A 48 3.346 4.161 2.220 1.00 0.00 C ATOM 709 CG LEU A 48 3.807 3.183 3.301 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.925 3.296 4.534 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.799 1.758 2.768 1.00 0.00 C ATOM 0 H LEU A 48 5.722 4.954 2.131 1.00 0.00 H new ATOM 0 HA LEU A 48 4.431 3.164 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.340 5.165 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.316 3.921 1.956 1.00 0.00 H new ATOM 0 HG LEU A 48 4.828 3.439 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.268 2.592 5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.980 4.311 4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.894 3.066 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.130 1.075 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.789 1.492 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.473 1.685 1.914 1.00 0.00 H new ATOM 723 N CYS A 49 3.470 6.133 -0.322 1.00 0.00 N ATOM 724 CA CYS A 49 2.750 6.855 -1.366 1.00 0.00 C ATOM 725 C CYS A 49 3.394 6.626 -2.729 1.00 0.00 C ATOM 726 O CYS A 49 2.732 6.206 -3.679 1.00 0.00 O ATOM 727 CB CYS A 49 2.716 8.350 -1.048 1.00 0.00 C ATOM 728 SG CYS A 49 1.443 8.824 0.145 1.00 0.00 S ATOM 0 H CYS A 49 4.040 6.724 0.284 1.00 0.00 H new ATOM 0 HA CYS A 49 1.729 6.475 -1.400 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.690 8.650 -0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.555 8.903 -1.973 1.00 0.00 H new ATOM 0 HG CYS A 49 2.006 9.333 1.201 1.00 0.00 H new ATOM 734 N THR A 50 4.691 6.907 -2.820 1.00 0.00 N ATOM 735 CA THR A 50 5.425 6.735 -4.068 1.00 0.00 C ATOM 736 C THR A 50 5.280 5.313 -4.599 1.00 0.00 C ATOM 737 O THR A 50 5.038 5.106 -5.788 1.00 0.00 O ATOM 738 CB THR A 50 6.921 7.054 -3.888 1.00 0.00 C ATOM 739 OG1 THR A 50 7.344 6.692 -2.570 1.00 0.00 O ATOM 740 CG2 THR A 50 7.190 8.533 -4.124 1.00 0.00 C ATOM 0 H THR A 50 5.254 7.255 -2.044 1.00 0.00 H new ATOM 0 HA THR A 50 4.996 7.434 -4.786 1.00 0.00 H new ATOM 0 HB THR A 50 7.484 6.476 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.819 5.926 -2.257 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.253 8.735 -3.991 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.894 8.799 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.616 9.125 -3.411 1.00 0.00 H new ATOM 748 N LEU A 51 5.430 4.337 -3.710 1.00 0.00 N ATOM 749 CA LEU A 51 5.316 2.933 -4.090 1.00 0.00 C ATOM 750 C LEU A 51 4.111 2.711 -4.999 1.00 0.00 C ATOM 751 O LEU A 51 4.231 2.118 -6.071 1.00 0.00 O ATOM 752 CB LEU A 51 5.197 2.056 -2.842 1.00 0.00 C ATOM 753 CG LEU A 51 4.718 0.622 -3.074 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.714 -0.141 -3.933 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.501 -0.089 -1.746 1.00 0.00 C ATOM 0 H LEU A 51 5.631 4.492 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 51 6.216 2.655 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.171 2.018 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.511 2.539 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 51 3.766 0.658 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.356 -1.159 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.819 0.357 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.681 -0.168 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.160 -1.108 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.438 -0.115 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.749 0.446 -1.166 1.00 0.00 H new ATOM 767 N MET A 52 2.952 3.194 -4.565 1.00 0.00 N ATOM 768 CA MET A 52 1.726 3.051 -5.342 1.00 0.00 C ATOM 769 C MET A 52 1.846 3.767 -6.683 1.00 0.00 C ATOM 770 O MET A 52 1.535 3.200 -7.729 1.00 0.00 O ATOM 771 CB MET A 52 0.534 3.604 -4.560 1.00 0.00 C ATOM 772 CG MET A 52 -0.806 3.342 -5.227 1.00 0.00 C ATOM 773 SD MET A 52 -1.498 1.736 -4.790 1.00 0.00 S ATOM 774 CE MET A 52 -1.845 1.062 -6.412 1.00 0.00 C ATOM 0 H MET A 52 2.836 3.688 -3.680 1.00 0.00 H new ATOM 0 HA MET A 52 1.566 1.989 -5.530 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.527 3.162 -3.564 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.662 4.679 -4.431 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.508 4.125 -4.942 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.686 3.399 -6.309 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.953 -0.020 -6.341 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.769 1.494 -6.796 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.024 1.301 -7.089 1.00 0.00 H new ATOM 784 N ASN A 53 2.298 5.016 -6.643 1.00 0.00 N ATOM 785 CA ASN A 53 2.458 5.810 -7.856 1.00 0.00 C ATOM 786 C ASN A 53 3.228 5.032 -8.918 1.00 0.00 C ATOM 787 O ASN A 53 3.092 5.290 -10.114 1.00 0.00 O ATOM 788 CB ASN A 53 3.183 7.120 -7.541 1.00 0.00 C ATOM 789 CG ASN A 53 2.225 8.241 -7.187 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.552 8.991 -6.141 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.202 8.430 -7.846 1.00 0.00 N flip ATOM 0 H ASN A 53 2.560 5.500 -5.784 1.00 0.00 H new ATOM 0 HA ASN A 53 1.466 6.036 -8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.873 6.960 -6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.782 7.416 -8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.990 7.829 -8.642 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.567 9.188 -7.595 1.00 0.00 H new ATOM 798 N LYS A 54 4.039 4.077 -8.473 1.00 0.00 N ATOM 799 CA LYS A 54 4.831 3.259 -9.384 1.00 0.00 C ATOM 800 C LYS A 54 3.987 2.136 -9.978 1.00 0.00 C ATOM 801 O LYS A 54 4.080 1.842 -11.171 1.00 0.00 O ATOM 802 CB LYS A 54 6.039 2.671 -8.652 1.00 0.00 C ATOM 803 CG LYS A 54 6.937 3.720 -8.018 1.00 0.00 C ATOM 804 CD LYS A 54 7.652 4.551 -9.069 1.00 0.00 C ATOM 805 CE LYS A 54 8.071 5.905 -8.519 1.00 0.00 C ATOM 806 NZ LYS A 54 6.899 6.789 -8.269 1.00 0.00 N ATOM 0 H LYS A 54 4.165 3.851 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 54 5.180 3.896 -10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.687 1.990 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.626 2.079 -9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.341 4.373 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.671 3.232 -7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.531 4.013 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.998 4.693 -9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.624 5.764 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.748 6.389 -9.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.214 7.779 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.210 6.678 -9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.454 6.528 -7.366 1.00 0.00 H new ATOM 820 N LEU A 55 3.165 1.514 -9.142 1.00 0.00 N ATOM 821 CA LEU A 55 2.303 0.424 -9.587 1.00 0.00 C ATOM 822 C LEU A 55 1.155 0.951 -10.442 1.00 0.00 C ATOM 823 O LEU A 55 0.974 0.526 -11.583 1.00 0.00 O ATOM 824 CB LEU A 55 1.747 -0.337 -8.382 1.00 0.00 C ATOM 825 CG LEU A 55 2.774 -0.803 -7.350 1.00 0.00 C ATOM 826 CD1 LEU A 55 2.081 -1.423 -6.147 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.747 -1.793 -7.975 1.00 0.00 C ATOM 0 H LEU A 55 3.076 1.745 -8.152 1.00 0.00 H new ATOM 0 HA LEU A 55 2.902 -0.255 -10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.020 0.301 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.207 -1.210 -8.747 1.00 0.00 H new ATOM 0 HG LEU A 55 3.337 0.066 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.829 -1.748 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.426 -0.685 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.491 -2.281 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.471 -2.114 -7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.198 -2.659 -8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.270 -1.315 -8.804 1.00 0.00 H new ATOM 839 N GLN A 56 0.385 1.880 -9.884 1.00 0.00 N ATOM 840 CA GLN A 56 -0.744 2.466 -10.598 1.00 0.00 C ATOM 841 C GLN A 56 -0.394 3.854 -11.123 1.00 0.00 C ATOM 842 O GLN A 56 -0.019 4.752 -10.370 1.00 0.00 O ATOM 843 CB GLN A 56 -1.967 2.547 -9.681 1.00 0.00 C ATOM 844 CG GLN A 56 -3.055 3.473 -10.200 1.00 0.00 C ATOM 845 CD GLN A 56 -4.442 3.042 -9.770 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.079 2.215 -10.425 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.920 3.599 -8.664 1.00 0.00 N ATOM 0 H GLN A 56 0.522 2.243 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.978 1.825 -11.448 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.382 1.547 -9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.650 2.888 -8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.866 4.485 -9.843 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.010 3.506 -11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.359 4.280 -8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.849 3.346 -8.326 1.00 0.00 H new ATOM 856 N PRO A 57 -0.519 4.035 -12.446 1.00 0.00 N ATOM 857 CA PRO A 57 -0.221 5.312 -13.101 1.00 0.00 C ATOM 858 C PRO A 57 -1.242 6.392 -12.758 1.00 0.00 C ATOM 859 O PRO A 57 -2.230 6.573 -13.467 1.00 0.00 O ATOM 860 CB PRO A 57 -0.287 4.969 -14.592 1.00 0.00 C ATOM 861 CG PRO A 57 -1.190 3.787 -14.669 1.00 0.00 C ATOM 862 CD PRO A 57 -0.961 3.007 -13.403 1.00 0.00 C ATOM 0 HA PRO A 57 0.740 5.718 -12.784 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.678 5.804 -15.173 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.701 4.739 -14.989 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.232 4.097 -14.753 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.965 3.181 -15.547 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.871 2.510 -13.067 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.206 2.233 -13.539 1.00 0.00 H new ATOM 870 N GLY A 58 -0.994 7.107 -11.665 1.00 0.00 N ATOM 871 CA GLY A 58 -1.901 8.161 -11.247 1.00 0.00 C ATOM 872 C GLY A 58 -2.715 7.776 -10.029 1.00 0.00 C ATOM 873 O GLY A 58 -3.934 7.954 -10.007 1.00 0.00 O ATOM 0 H GLY A 58 -0.182 6.976 -11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.329 9.062 -11.028 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.575 8.403 -12.069 1.00 0.00 H new ATOM 877 N SER A 59 -2.043 7.244 -9.014 1.00 0.00 N ATOM 878 CA SER A 59 -2.714 6.827 -7.787 1.00 0.00 C ATOM 879 C SER A 59 -2.773 7.974 -6.783 1.00 0.00 C ATOM 880 O SER A 59 -3.844 8.514 -6.502 1.00 0.00 O ATOM 881 CB SER A 59 -1.991 5.629 -7.168 1.00 0.00 C ATOM 882 OG SER A 59 -0.607 5.658 -7.469 1.00 0.00 O ATOM 0 H SER A 59 -1.035 7.091 -9.016 1.00 0.00 H new ATOM 0 HA SER A 59 -3.734 6.536 -8.040 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.132 5.634 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.428 4.703 -7.542 1.00 0.00 H new ATOM 0 HG SER A 59 -0.461 5.303 -8.371 1.00 0.00 H new ATOM 888 N VAL A 60 -1.616 8.342 -6.245 1.00 0.00 N ATOM 889 CA VAL A 60 -1.534 9.426 -5.273 1.00 0.00 C ATOM 890 C VAL A 60 -1.318 10.768 -5.963 1.00 0.00 C ATOM 891 O VAL A 60 -0.423 10.930 -6.794 1.00 0.00 O ATOM 892 CB VAL A 60 -0.395 9.189 -4.264 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.246 10.387 -3.337 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.644 7.917 -3.468 1.00 0.00 C ATOM 0 H VAL A 60 -0.721 7.905 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.484 9.445 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 60 0.537 9.068 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.563 10.202 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.018 11.276 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.176 10.542 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.171 7.765 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.585 8.006 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.697 7.067 -4.148 1.00 0.00 H new ATOM 904 N PRO A 61 -2.154 11.755 -5.612 1.00 0.00 N ATOM 905 CA PRO A 61 -2.073 13.103 -6.185 1.00 0.00 C ATOM 906 C PRO A 61 -0.833 13.856 -5.720 1.00 0.00 C ATOM 907 O PRO A 61 -0.080 14.395 -6.532 1.00 0.00 O ATOM 908 CB PRO A 61 -3.341 13.786 -5.665 1.00 0.00 C ATOM 909 CG PRO A 61 -3.675 13.057 -4.408 1.00 0.00 C ATOM 910 CD PRO A 61 -3.244 11.634 -4.628 1.00 0.00 C ATOM 0 HA PRO A 61 -2.000 13.081 -7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.170 14.846 -5.475 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.153 13.719 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.157 13.494 -3.554 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.743 13.113 -4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.901 11.171 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.061 11.021 -5.007 1.00 0.00 H new ATOM 918 N LYS A 62 -0.624 13.891 -4.408 1.00 0.00 N ATOM 919 CA LYS A 62 0.528 14.579 -3.834 1.00 0.00 C ATOM 920 C LYS A 62 0.945 13.932 -2.517 1.00 0.00 C ATOM 921 O LYS A 62 0.138 13.285 -1.849 1.00 0.00 O ATOM 922 CB LYS A 62 0.205 16.057 -3.609 1.00 0.00 C ATOM 923 CG LYS A 62 1.418 16.965 -3.709 1.00 0.00 C ATOM 924 CD LYS A 62 1.082 18.391 -3.304 1.00 0.00 C ATOM 925 CE LYS A 62 2.222 19.345 -3.624 1.00 0.00 C ATOM 926 NZ LYS A 62 2.182 19.803 -5.041 1.00 0.00 N ATOM 0 H LYS A 62 -1.237 13.451 -3.722 1.00 0.00 H new ATOM 0 HA LYS A 62 1.357 14.498 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.537 16.374 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.248 16.176 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.214 16.582 -3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.797 16.956 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.179 18.714 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.866 18.426 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.169 20.209 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.174 18.851 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.975 20.451 -5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.258 18.981 -5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.284 20.297 -5.221 1.00 0.00 H new ATOM 940 N ILE A 63 2.209 14.112 -2.150 1.00 0.00 N ATOM 941 CA ILE A 63 2.732 13.549 -0.911 1.00 0.00 C ATOM 942 C ILE A 63 3.147 14.648 0.061 1.00 0.00 C ATOM 943 O ILE A 63 3.878 15.569 -0.302 1.00 0.00 O ATOM 944 CB ILE A 63 3.940 12.631 -1.175 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.502 11.386 -1.951 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.605 12.239 0.134 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.656 10.602 -2.537 1.00 0.00 C ATOM 0 H ILE A 63 2.890 14.643 -2.693 1.00 0.00 H new ATOM 0 HA ILE A 63 1.928 12.960 -0.469 1.00 0.00 H new ATOM 0 HB ILE A 63 4.666 13.176 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.932 10.736 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.832 11.687 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.457 11.590 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.948 13.135 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.888 11.710 0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.271 9.734 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.214 11.236 -3.226 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.315 10.270 -1.735 1.00 0.00 H new ATOM 959 N ASN A 64 2.675 14.544 1.299 1.00 0.00 N ATOM 960 CA ASN A 64 2.999 15.529 2.325 1.00 0.00 C ATOM 961 C ASN A 64 4.218 15.095 3.132 1.00 0.00 C ATOM 962 O ASN A 64 4.099 14.352 4.106 1.00 0.00 O ATOM 963 CB ASN A 64 1.804 15.735 3.258 1.00 0.00 C ATOM 964 CG ASN A 64 0.480 15.704 2.518 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.437 15.828 1.294 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.609 15.537 3.260 1.00 0.00 N ATOM 0 H ASN A 64 2.067 13.788 1.616 1.00 0.00 H new ATOM 0 HA ASN A 64 3.232 16.471 1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.807 14.960 4.024 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.908 16.691 3.771 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.528 15.507 2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.526 15.438 4.272 1.00 0.00 H new ATOM 973 N ARG A 65 5.392 15.564 2.719 1.00 0.00 N ATOM 974 CA ARG A 65 6.633 15.224 3.402 1.00 0.00 C ATOM 975 C ARG A 65 6.925 16.215 4.526 1.00 0.00 C ATOM 976 O ARG A 65 8.062 16.651 4.702 1.00 0.00 O ATOM 977 CB ARG A 65 7.798 15.204 2.410 1.00 0.00 C ATOM 978 CG ARG A 65 7.543 14.337 1.189 1.00 0.00 C ATOM 979 CD ARG A 65 8.844 13.903 0.532 1.00 0.00 C ATOM 980 NE ARG A 65 8.613 13.037 -0.622 1.00 0.00 N ATOM 981 CZ ARG A 65 9.538 12.233 -1.133 1.00 0.00 C ATOM 982 NH1 ARG A 65 10.749 12.184 -0.597 1.00 0.00 N ATOM 983 NH2 ARG A 65 9.252 11.475 -2.185 1.00 0.00 N ATOM 0 H ARG A 65 5.508 16.180 1.915 1.00 0.00 H new ATOM 0 HA ARG A 65 6.518 14.231 3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.004 16.224 2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.692 14.845 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.970 13.457 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.937 14.889 0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.403 14.784 0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.461 13.378 1.261 1.00 0.00 H new ATOM 0 HE ARG A 65 7.691 13.051 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.973 12.765 0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.457 11.565 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.321 11.510 -2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.963 10.858 -2.577 1.00 0.00 H new ATOM 997 N SER A 66 5.890 16.565 5.281 1.00 0.00 N ATOM 998 CA SER A 66 6.034 17.508 6.385 1.00 0.00 C ATOM 999 C SER A 66 5.954 16.788 7.728 1.00 0.00 C ATOM 1000 O SER A 66 5.720 15.581 7.785 1.00 0.00 O ATOM 1001 CB SER A 66 4.952 18.587 6.306 1.00 0.00 C ATOM 1002 OG SER A 66 4.959 19.224 5.041 1.00 0.00 O ATOM 0 H SER A 66 4.943 16.211 5.149 1.00 0.00 H new ATOM 0 HA SER A 66 7.013 17.979 6.303 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.974 18.140 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.114 19.327 7.090 1.00 0.00 H new ATOM 0 HG SER A 66 4.258 19.908 5.015 1.00 0.00 H new ATOM 1008 N MET A 67 6.148 17.538 8.807 1.00 0.00 N ATOM 1009 CA MET A 67 6.097 16.973 10.150 1.00 0.00 C ATOM 1010 C MET A 67 4.670 16.980 10.689 1.00 0.00 C ATOM 1011 O MET A 67 4.315 16.166 11.541 1.00 0.00 O ATOM 1012 CB MET A 67 7.014 17.758 11.092 1.00 0.00 C ATOM 1013 CG MET A 67 6.448 19.106 11.506 1.00 0.00 C ATOM 1014 SD MET A 67 7.433 19.909 12.786 1.00 0.00 S ATOM 1015 CE MET A 67 6.751 19.155 14.260 1.00 0.00 C ATOM 0 H MET A 67 6.342 18.539 8.778 1.00 0.00 H new ATOM 0 HA MET A 67 6.441 15.940 10.096 1.00 0.00 H new ATOM 0 HB2 MET A 67 7.200 17.162 11.985 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.977 17.911 10.604 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.394 19.757 10.633 1.00 0.00 H new ATOM 0 HG3 MET A 67 5.429 18.972 11.868 1.00 0.00 H new ATOM 0 HE1 MET A 67 7.259 19.551 15.139 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.686 19.379 14.324 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.892 18.075 14.215 1.00 0.00 H new ATOM 1025 N GLN A 68 3.856 17.902 10.186 1.00 0.00 N ATOM 1026 CA GLN A 68 2.469 18.014 10.618 1.00 0.00 C ATOM 1027 C GLN A 68 1.795 16.646 10.647 1.00 0.00 C ATOM 1028 O GLN A 68 1.923 15.862 9.707 1.00 0.00 O ATOM 1029 CB GLN A 68 1.697 18.956 9.692 1.00 0.00 C ATOM 1030 CG GLN A 68 2.061 20.421 9.874 1.00 0.00 C ATOM 1031 CD GLN A 68 3.298 20.818 9.092 1.00 0.00 C ATOM 1032 OE1 GLN A 68 4.419 20.705 9.586 1.00 0.00 O ATOM 1033 NE2 GLN A 68 3.098 21.285 7.866 1.00 0.00 N ATOM 0 H GLN A 68 4.134 18.582 9.479 1.00 0.00 H new ATOM 0 HA GLN A 68 2.463 18.424 11.628 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.885 18.669 8.657 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.629 18.831 9.869 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.222 21.041 9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.226 20.621 10.933 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.150 21.361 7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.892 21.568 7.292 1.00 0.00 H new ATOM 1042 N ASN A 69 1.079 16.367 11.731 1.00 0.00 N ATOM 1043 CA ASN A 69 0.386 15.092 11.881 1.00 0.00 C ATOM 1044 C ASN A 69 -0.659 14.908 10.786 1.00 0.00 C ATOM 1045 O ASN A 69 -0.596 13.957 10.007 1.00 0.00 O ATOM 1046 CB ASN A 69 -0.280 15.010 13.256 1.00 0.00 C ATOM 1047 CG ASN A 69 -1.531 14.153 13.242 1.00 0.00 C ATOM 1048 OD1 ASN A 69 -1.479 12.964 12.923 1.00 0.00 O ATOM 1049 ND2 ASN A 69 -2.663 14.753 13.588 1.00 0.00 N ATOM 0 H ASN A 69 0.963 17.006 12.518 1.00 0.00 H new ATOM 0 HA ASN A 69 1.123 14.294 11.792 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.429 14.602 13.976 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.535 16.015 13.594 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.537 14.227 13.597 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.659 15.740 13.845 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.619 15.824 10.732 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.678 15.764 9.730 1.00 0.00 C ATOM 1058 C TRP A 70 -2.101 15.506 8.342 1.00 0.00 C ATOM 1059 O TRP A 70 -2.720 14.833 7.518 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.482 17.065 9.729 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.624 18.292 9.799 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -2.013 18.926 8.755 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -2.282 19.032 10.976 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -1.312 20.015 9.213 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.462 20.103 10.572 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.592 18.896 12.332 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.947 21.028 11.476 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -2.080 19.816 13.228 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -1.266 20.871 12.797 1.00 0.00 C ATOM 0 H TRP A 70 -1.686 16.617 11.370 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.340 14.937 9.986 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -4.091 17.107 8.826 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.168 17.061 10.576 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.072 18.617 7.722 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.768 20.655 8.635 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.220 18.087 12.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.318 21.841 11.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.312 19.719 14.278 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.883 21.574 13.522 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.912 16.044 8.091 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.252 15.872 6.802 1.00 0.00 C ATOM 1082 C HIS A 71 0.275 14.448 6.649 1.00 0.00 C ATOM 1083 O HIS A 71 0.086 13.816 5.609 1.00 0.00 O ATOM 1084 CB HIS A 71 0.896 16.871 6.655 1.00 0.00 C ATOM 1085 CG HIS A 71 0.478 18.179 6.056 1.00 0.00 C ATOM 1086 ND1 HIS A 71 1.200 19.343 6.213 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.594 18.501 5.294 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.590 20.326 5.575 1.00 0.00 C ATOM 1089 NE2 HIS A 71 -0.501 19.842 5.009 1.00 0.00 N ATOM 0 H HIS A 71 -0.386 16.603 8.763 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.986 16.057 6.018 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.336 17.054 7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.675 16.428 6.034 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.376 17.830 4.971 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.926 21.351 5.525 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.166 20.377 4.451 1.00 0.00 H new ATOM 1098 N GLN A 72 0.935 13.951 7.689 1.00 0.00 N ATOM 1099 CA GLN A 72 1.490 12.603 7.668 1.00 0.00 C ATOM 1100 C GLN A 72 0.390 11.564 7.473 1.00 0.00 C ATOM 1101 O GLN A 72 0.580 10.567 6.775 1.00 0.00 O ATOM 1102 CB GLN A 72 2.250 12.320 8.965 1.00 0.00 C ATOM 1103 CG GLN A 72 3.540 13.114 9.100 1.00 0.00 C ATOM 1104 CD GLN A 72 4.298 12.783 10.370 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.331 11.631 10.806 1.00 0.00 O ATOM 1106 NE2 GLN A 72 4.915 13.793 10.972 1.00 0.00 N ATOM 0 H GLN A 72 1.099 14.461 8.557 1.00 0.00 H new ATOM 0 HA GLN A 72 2.182 12.536 6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.603 12.547 9.812 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.481 11.256 9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.177 12.914 8.238 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.310 14.179 9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.862 14.732 10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.442 13.630 11.830 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.759 11.804 8.094 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.891 10.889 7.989 1.00 0.00 C ATOM 1117 C LEU A 73 -2.458 10.885 6.573 1.00 0.00 C ATOM 1118 O LEU A 73 -2.643 9.827 5.972 1.00 0.00 O ATOM 1119 CB LEU A 73 -2.983 11.280 8.987 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.860 10.676 10.386 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.096 9.175 10.342 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.496 10.988 10.984 1.00 0.00 C ATOM 0 H LEU A 73 -0.932 12.624 8.675 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.537 9.885 8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.990 12.366 9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.948 10.990 8.571 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.623 11.123 11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.004 8.763 11.347 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.096 8.975 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.357 8.709 9.690 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.427 10.550 11.980 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.716 10.569 10.348 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.367 12.068 11.053 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.729 12.074 6.046 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.274 12.206 4.699 1.00 0.00 C ATOM 1136 C GLU A 74 -2.546 11.284 3.725 1.00 0.00 C ATOM 1137 O GLU A 74 -3.159 10.699 2.833 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.167 13.657 4.222 1.00 0.00 C ATOM 1139 CG GLU A 74 -4.135 14.002 3.103 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.565 14.137 3.589 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -5.818 15.003 4.452 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.431 13.377 3.106 1.00 0.00 O ATOM 0 H GLU A 74 -2.581 12.959 6.530 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.325 11.917 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.348 14.322 5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.149 13.845 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.825 14.936 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.088 13.229 2.336 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.235 11.161 3.904 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.422 10.312 3.040 1.00 0.00 C ATOM 1151 C ASN A 75 -0.992 8.897 2.978 1.00 0.00 C ATOM 1152 O ASN A 75 -1.325 8.397 1.902 1.00 0.00 O ATOM 1153 CB ASN A 75 1.021 10.270 3.543 1.00 0.00 C ATOM 1154 CG ASN A 75 1.851 11.424 3.014 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.557 11.982 1.957 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.895 11.789 3.751 1.00 0.00 N ATOM 0 H ASN A 75 -0.713 11.638 4.639 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.437 10.736 2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.024 10.293 4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.480 9.328 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.489 12.560 3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.102 11.298 4.621 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.102 8.259 4.137 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.632 6.902 4.215 1.00 0.00 C ATOM 1165 C LEU A 76 -3.047 6.835 3.648 1.00 0.00 C ATOM 1166 O LEU A 76 -3.335 6.029 2.764 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.629 6.415 5.666 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.253 6.211 6.302 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.394 5.662 7.713 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.596 5.280 5.448 1.00 0.00 C ATOM 0 H LEU A 76 -0.832 8.659 5.036 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.990 6.254 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.184 7.133 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.172 5.471 5.713 1.00 0.00 H new ATOM 0 HG LEU A 76 0.248 7.178 6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.595 5.523 8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.964 6.364 8.321 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.914 4.705 7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.572 5.146 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.100 4.313 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.725 5.713 4.456 1.00 0.00 H new ATOM 1182 N SER A 77 -3.925 7.691 4.161 1.00 0.00 N ATOM 1183 CA SER A 77 -5.309 7.729 3.706 1.00 0.00 C ATOM 1184 C SER A 77 -5.383 7.686 2.183 1.00 0.00 C ATOM 1185 O SER A 77 -6.223 6.995 1.611 1.00 0.00 O ATOM 1186 CB SER A 77 -6.005 8.989 4.227 1.00 0.00 C ATOM 1187 OG SER A 77 -7.400 8.939 3.983 1.00 0.00 O ATOM 0 H SER A 77 -3.702 8.367 4.892 1.00 0.00 H new ATOM 0 HA SER A 77 -5.819 6.851 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.823 9.093 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.580 9.869 3.745 1.00 0.00 H new ATOM 0 HG SER A 77 -7.822 9.754 4.326 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.496 8.433 1.533 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.460 8.481 0.076 1.00 0.00 C ATOM 1195 C ASN A 78 -4.004 7.145 -0.501 1.00 0.00 C ATOM 1196 O ASN A 78 -4.682 6.556 -1.342 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.526 9.598 -0.395 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.182 10.964 -0.333 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.399 11.088 -0.474 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.376 11.998 -0.121 1.00 0.00 N ATOM 0 H ASN A 78 -3.793 9.013 1.992 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.469 8.685 -0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.627 9.601 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.209 9.396 -1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.760 12.942 -0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.373 11.849 -0.010 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.849 6.671 -0.043 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.302 5.405 -0.514 1.00 0.00 C ATOM 1209 C PHE A 79 -3.332 4.287 -0.392 1.00 0.00 C ATOM 1210 O PHE A 79 -3.602 3.567 -1.355 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.044 5.042 0.278 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.577 3.633 0.051 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.474 3.123 -1.233 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.240 2.819 1.120 1.00 0.00 C ATOM 1215 CE1 PHE A 79 -0.046 1.826 -1.445 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.189 1.522 0.914 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.288 1.025 -0.370 1.00 0.00 C ATOM 0 H PHE A 79 -2.275 7.145 0.654 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.041 5.521 -1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.243 5.730 0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.240 5.184 1.341 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.731 3.746 -2.077 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.314 3.203 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.027 1.439 -2.451 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.447 0.898 1.757 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.626 0.012 -0.534 1.00 0.00 H new ATOM 1227 N ILE A 80 -3.906 4.147 0.800 1.00 0.00 N ATOM 1228 CA ILE A 80 -4.908 3.118 1.048 1.00 0.00 C ATOM 1229 C ILE A 80 -5.985 3.127 -0.031 1.00 0.00 C ATOM 1230 O ILE A 80 -6.144 2.159 -0.776 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.575 3.302 2.425 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.537 3.163 3.540 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.697 2.292 2.608 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -4.918 3.886 4.813 1.00 0.00 C ATOM 0 H ILE A 80 -3.694 4.733 1.607 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.388 2.160 1.030 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.003 4.303 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.393 2.106 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.581 3.548 3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.159 2.434 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.446 2.435 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.292 1.282 2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.137 3.744 5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.034 4.950 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.858 3.485 5.191 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.725 4.228 -0.113 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.786 4.367 -1.103 1.00 0.00 C ATOM 1248 C LYS A 81 -7.302 3.936 -2.483 1.00 0.00 C ATOM 1249 O LYS A 81 -8.022 3.266 -3.223 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.279 5.815 -1.152 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.914 6.286 0.145 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.333 5.765 0.293 1.00 0.00 C ATOM 1253 CE LYS A 81 -11.329 6.641 -0.453 1.00 0.00 C ATOM 1254 NZ LYS A 81 -12.655 5.978 -0.594 1.00 0.00 N ATOM 0 H LYS A 81 -6.609 5.038 0.496 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.611 3.719 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.440 6.468 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.004 5.916 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.312 5.949 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.921 7.376 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.389 4.745 -0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.600 5.727 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.450 7.586 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.935 6.878 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.305 6.607 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.544 5.089 -1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.043 5.774 0.349 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.077 4.326 -2.824 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.496 3.977 -4.114 1.00 0.00 C ATOM 1270 C ALA A 82 -5.471 2.465 -4.314 1.00 0.00 C ATOM 1271 O ALA A 82 -5.773 1.969 -5.399 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.091 4.550 -4.233 1.00 0.00 C ATOM 0 H ALA A 82 -5.469 4.884 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.121 4.411 -4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.669 4.281 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.132 5.636 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.464 4.144 -3.439 1.00 0.00 H new ATOM 1278 N MET A 83 -5.108 1.740 -3.262 1.00 0.00 N ATOM 1279 CA MET A 83 -5.044 0.284 -3.323 1.00 0.00 C ATOM 1280 C MET A 83 -6.387 -0.302 -3.747 1.00 0.00 C ATOM 1281 O MET A 83 -6.454 -1.145 -4.642 1.00 0.00 O ATOM 1282 CB MET A 83 -4.633 -0.287 -1.965 1.00 0.00 C ATOM 1283 CG MET A 83 -3.149 -0.140 -1.669 1.00 0.00 C ATOM 1284 SD MET A 83 -2.564 -1.327 -0.444 1.00 0.00 S ATOM 1285 CE MET A 83 -2.934 -0.455 1.077 1.00 0.00 C ATOM 0 H MET A 83 -4.854 2.136 -2.357 1.00 0.00 H new ATOM 0 HA MET A 83 -4.296 0.009 -4.067 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.203 0.213 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.900 -1.343 -1.928 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.584 -0.268 -2.592 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.952 0.871 -1.313 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.629 -1.063 1.929 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.393 0.491 1.095 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.005 -0.262 1.134 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.457 0.151 -3.100 1.00 0.00 N ATOM 1296 CA VAL A 84 -8.798 -0.328 -3.412 1.00 0.00 C ATOM 1297 C VAL A 84 -9.050 -0.318 -4.915 1.00 0.00 C ATOM 1298 O VAL A 84 -9.667 -1.234 -5.458 1.00 0.00 O ATOM 1299 CB VAL A 84 -9.875 0.526 -2.715 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.265 0.106 -3.168 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.742 0.421 -1.204 1.00 0.00 C ATOM 0 H VAL A 84 -7.421 0.849 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.862 -1.352 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.727 1.568 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.012 0.720 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.352 0.239 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.428 -0.942 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.510 1.030 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.863 -0.619 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.757 0.776 -0.900 1.00 0.00 H new ATOM 1311 N SER A 85 -8.568 0.726 -5.582 1.00 0.00 N ATOM 1312 CA SER A 85 -8.745 0.858 -7.024 1.00 0.00 C ATOM 1313 C SER A 85 -7.900 -0.172 -7.771 1.00 0.00 C ATOM 1314 O SER A 85 -8.365 -0.797 -8.724 1.00 0.00 O ATOM 1315 CB SER A 85 -8.366 2.269 -7.479 1.00 0.00 C ATOM 1316 OG SER A 85 -8.533 2.416 -8.878 1.00 0.00 O ATOM 0 H SER A 85 -8.053 1.492 -5.148 1.00 0.00 H new ATOM 0 HA SER A 85 -9.795 0.679 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.983 3.001 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.330 2.475 -7.210 1.00 0.00 H new ATOM 0 HG SER A 85 -8.286 3.326 -9.143 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.659 -0.341 -7.330 1.00 0.00 N ATOM 1323 CA TYR A 86 -5.749 -1.292 -7.957 1.00 0.00 C ATOM 1324 C TYR A 86 -6.436 -2.635 -8.184 1.00 0.00 C ATOM 1325 O TYR A 86 -6.306 -3.240 -9.248 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.503 -1.484 -7.092 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.328 -2.071 -7.842 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -2.823 -1.449 -8.977 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.725 -3.248 -7.417 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.752 -1.981 -9.667 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.652 -3.787 -8.100 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.169 -3.151 -9.224 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.101 -3.685 -9.907 1.00 0.00 O ATOM 0 H TYR A 86 -6.260 0.168 -6.541 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.452 -0.888 -8.925 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.211 -0.521 -6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.750 -2.135 -6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.276 -0.533 -9.326 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.101 -3.750 -6.538 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.373 -1.485 -10.548 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.194 -4.702 -7.755 1.00 0.00 H new ATOM 0 HH TYR A 86 0.410 -2.964 -10.331 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.170 -3.095 -7.176 1.00 0.00 N ATOM 1344 CA GLY A 87 -7.869 -4.363 -7.285 1.00 0.00 C ATOM 1345 C GLY A 87 -7.671 -5.239 -6.064 1.00 0.00 C ATOM 1346 O GLY A 87 -7.719 -6.466 -6.158 1.00 0.00 O ATOM 0 H GLY A 87 -7.293 -2.613 -6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.934 -4.177 -7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.518 -4.893 -8.170 1.00 0.00 H new ATOM 1350 N MET A 88 -7.447 -4.610 -4.914 1.00 0.00 N ATOM 1351 CA MET A 88 -7.242 -5.341 -3.670 1.00 0.00 C ATOM 1352 C MET A 88 -8.575 -5.676 -3.010 1.00 0.00 C ATOM 1353 O MET A 88 -9.633 -5.258 -3.479 1.00 0.00 O ATOM 1354 CB MET A 88 -6.376 -4.523 -2.710 1.00 0.00 C ATOM 1355 CG MET A 88 -4.941 -4.350 -3.183 1.00 0.00 C ATOM 1356 SD MET A 88 -3.909 -5.781 -2.810 1.00 0.00 S ATOM 1357 CE MET A 88 -3.498 -5.463 -1.096 1.00 0.00 C ATOM 0 H MET A 88 -7.403 -3.595 -4.819 1.00 0.00 H new ATOM 0 HA MET A 88 -6.729 -6.273 -3.906 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.827 -3.540 -2.575 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.372 -5.008 -1.734 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.936 -4.174 -4.259 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.512 -3.465 -2.713 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.804 -6.225 -0.741 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.034 -4.481 -1.009 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.406 -5.490 -0.493 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.516 -6.434 -1.920 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.721 -6.827 -1.196 1.00 0.00 C ATOM 1369 C ASN A 89 -9.991 -5.877 -0.034 1.00 0.00 C ATOM 1370 O ASN A 89 -9.101 -5.171 0.443 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.584 -8.259 -0.677 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.056 -9.289 -1.687 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -9.506 -9.396 -2.783 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -11.080 -10.051 -1.320 1.00 0.00 N ATOM 0 H ASN A 89 -7.648 -6.788 -1.518 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.563 -6.777 -1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.541 -8.453 -0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.159 -8.366 0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.442 -10.761 -1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.505 -9.927 -0.401 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.247 -5.856 0.434 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.664 -4.998 1.547 1.00 0.00 C ATOM 1383 C PRO A 90 -11.072 -5.446 2.878 1.00 0.00 C ATOM 1384 O PRO A 90 -11.222 -4.770 3.896 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.187 -5.149 1.561 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.441 -6.479 0.939 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.358 -6.670 -0.087 1.00 0.00 C ATOM 0 HA PRO A 90 -11.325 -3.970 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.580 -5.105 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.669 -4.350 0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.414 -7.271 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.427 -6.511 0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.077 -7.719 -0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.675 -6.332 -1.074 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.396 -6.591 2.865 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.780 -7.130 4.071 1.00 0.00 C ATOM 1397 C VAL A 91 -8.259 -7.095 3.973 1.00 0.00 C ATOM 1398 O VAL A 91 -7.557 -7.385 4.943 1.00 0.00 O ATOM 1399 CB VAL A 91 -10.233 -8.578 4.336 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.734 -8.631 4.580 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.841 -9.479 3.175 1.00 0.00 C ATOM 0 H VAL A 91 -10.261 -7.163 2.031 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.103 -6.500 4.899 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.730 -8.940 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.036 -9.662 4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.984 -8.018 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.259 -8.251 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.169 -10.498 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.315 -9.121 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.758 -9.464 3.052 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.755 -6.740 2.796 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.316 -6.665 2.571 1.00 0.00 C ATOM 1413 C ASP A 92 -5.817 -5.231 2.718 1.00 0.00 C ATOM 1414 O ASP A 92 -4.710 -4.902 2.290 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.968 -7.200 1.181 1.00 0.00 C ATOM 1416 CG ASP A 92 -5.997 -8.714 1.120 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -5.498 -9.356 2.066 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -6.519 -9.258 0.122 1.00 0.00 O ATOM 0 H ASP A 92 -8.322 -6.500 1.983 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.822 -7.281 3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.672 -6.796 0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.977 -6.847 0.896 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.638 -4.383 3.326 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.281 -2.984 3.529 1.00 0.00 C ATOM 1425 C LEU A 93 -5.924 -2.719 4.988 1.00 0.00 C ATOM 1426 O LEU A 93 -6.087 -3.588 5.846 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.434 -2.075 3.101 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.860 -2.175 1.637 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.160 -1.421 1.406 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.764 -1.643 0.724 1.00 0.00 C ATOM 0 H LEU A 93 -7.557 -4.640 3.687 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.407 -2.765 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.298 -2.300 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.152 -1.042 3.307 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.026 -3.226 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.447 -1.504 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.944 -1.847 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.022 -0.371 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.085 -1.722 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.566 -0.598 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.855 -2.227 0.868 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.439 -1.514 5.264 1.00 0.00 N ATOM 1443 CA PHE A 94 -5.060 -1.134 6.620 1.00 0.00 C ATOM 1444 C PHE A 94 -5.449 0.313 6.909 1.00 0.00 C ATOM 1445 O PHE A 94 -5.558 1.130 5.995 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.554 -1.319 6.823 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.718 -0.436 5.942 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.328 -0.861 4.682 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.321 0.819 6.374 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.558 -0.050 3.871 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.551 1.634 5.566 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.170 1.200 4.312 1.00 0.00 C ATOM 0 H PHE A 94 -5.299 -0.783 4.567 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.596 -1.781 7.314 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.308 -1.116 7.865 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.295 -2.360 6.631 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.629 -1.837 4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.617 1.164 7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.259 -0.394 2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.247 2.610 5.915 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.570 1.836 3.678 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.656 0.621 8.185 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.035 1.968 8.594 1.00 0.00 C ATOM 1464 C GLU A 95 -4.806 2.864 8.718 1.00 0.00 C ATOM 1465 O GLU A 95 -3.699 2.387 8.966 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.788 1.929 9.925 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.291 1.778 9.770 1.00 0.00 C ATOM 1468 CD GLU A 95 -9.029 1.897 11.090 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -9.191 3.034 11.579 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.446 0.852 11.632 1.00 0.00 O ATOM 0 H GLU A 95 -5.568 -0.044 8.953 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.690 2.382 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.408 1.101 10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.579 2.845 10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.660 2.539 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.511 0.809 9.321 1.00 0.00 H new ATOM 1477 N ALA A 96 -5.009 4.166 8.544 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.920 5.129 8.637 1.00 0.00 C ATOM 1479 C ALA A 96 -3.262 5.082 10.012 1.00 0.00 C ATOM 1480 O ALA A 96 -2.050 5.250 10.137 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.428 6.532 8.341 1.00 0.00 C ATOM 0 H ALA A 96 -5.919 4.578 8.338 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.169 4.863 7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.603 7.241 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.845 6.563 7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.201 6.799 9.062 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.072 4.854 11.042 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.568 4.787 12.409 1.00 0.00 C ATOM 1489 C ASN A 97 -2.678 3.562 12.601 1.00 0.00 C ATOM 1490 O ASN A 97 -1.604 3.650 13.198 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.731 4.746 13.402 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.681 3.595 13.132 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -5.427 2.459 13.532 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -6.784 3.885 12.451 1.00 0.00 N ATOM 0 H ASN A 97 -5.078 4.713 10.956 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.972 5.681 12.594 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.338 4.659 14.415 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.280 5.686 13.353 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.461 3.152 12.240 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.954 4.841 12.139 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.130 2.422 12.091 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.375 1.180 12.205 1.00 0.00 C ATOM 1503 C ASP A 98 -0.877 1.443 12.091 1.00 0.00 C ATOM 1504 O ASP A 98 -0.086 0.949 12.894 1.00 0.00 O ATOM 1505 CB ASP A 98 -2.815 0.191 11.124 1.00 0.00 C ATOM 1506 CG ASP A 98 -4.171 -0.421 11.419 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -4.593 -0.390 12.593 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -4.808 -0.933 10.474 1.00 0.00 O ATOM 0 H ASP A 98 -4.016 2.332 11.594 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.577 0.749 13.186 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.851 0.701 10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.072 -0.602 11.037 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.493 2.224 11.086 1.00 0.00 N ATOM 1514 CA LEU A 99 0.912 2.552 10.866 1.00 0.00 C ATOM 1515 C LEU A 99 1.315 3.785 11.669 1.00 0.00 C ATOM 1516 O LEU A 99 2.277 3.751 12.436 1.00 0.00 O ATOM 1517 CB LEU A 99 1.172 2.792 9.378 1.00 0.00 C ATOM 1518 CG LEU A 99 2.640 2.855 8.955 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.290 1.486 9.078 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.763 3.380 7.532 1.00 0.00 C ATOM 0 H LEU A 99 -1.134 2.641 10.411 1.00 0.00 H new ATOM 0 HA LEU A 99 1.514 1.708 11.203 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.685 1.998 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.692 3.728 9.092 1.00 0.00 H new ATOM 0 HG LEU A 99 3.161 3.543 9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.334 1.550 8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.235 1.149 10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.768 0.776 8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.815 3.418 7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.227 2.718 6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.335 4.381 7.475 1.00 0.00 H new ATOM 1532 N PHE A 100 0.571 4.871 11.490 1.00 0.00 N ATOM 1533 CA PHE A 100 0.851 6.114 12.199 1.00 0.00 C ATOM 1534 C PHE A 100 1.253 5.837 13.645 1.00 0.00 C ATOM 1535 O PHE A 100 2.393 6.079 14.039 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.374 7.032 12.166 1.00 0.00 C ATOM 1537 CG PHE A 100 -0.076 8.443 12.584 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.821 9.218 11.868 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.695 8.995 13.694 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.097 10.517 12.250 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.425 10.294 14.080 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.474 11.056 13.358 1.00 0.00 C ATOM 0 H PHE A 100 -0.230 4.916 10.860 1.00 0.00 H new ATOM 0 HA PHE A 100 1.682 6.610 11.697 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.785 7.040 11.157 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.143 6.622 12.821 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.311 8.802 11.000 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.396 8.403 14.264 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.799 11.110 11.683 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.916 10.714 14.945 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.689 12.071 13.660 1.00 0.00 H new ATOM 1552 N GLU A 101 0.306 5.331 14.430 1.00 0.00 N ATOM 1553 CA GLU A 101 0.563 5.022 15.832 1.00 0.00 C ATOM 1554 C GLU A 101 0.783 3.525 16.028 1.00 0.00 C ATOM 1555 O GLU A 101 0.332 2.945 17.015 1.00 0.00 O ATOM 1556 CB GLU A 101 -0.604 5.495 16.702 1.00 0.00 C ATOM 1557 CG GLU A 101 -0.780 7.004 16.717 1.00 0.00 C ATOM 1558 CD GLU A 101 0.088 7.682 17.760 1.00 0.00 C ATOM 1559 OE1 GLU A 101 1.307 7.813 17.523 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -0.452 8.080 18.814 1.00 0.00 O ATOM 0 H GLU A 101 -0.644 5.127 14.119 1.00 0.00 H new ATOM 0 HA GLU A 101 1.469 5.547 16.134 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.524 5.034 16.343 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.450 5.146 17.723 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.538 7.404 15.732 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.826 7.242 16.910 1.00 0.00 H new ATOM 1567 N SER A 102 1.481 2.907 15.080 1.00 0.00 N ATOM 1568 CA SER A 102 1.758 1.476 15.145 1.00 0.00 C ATOM 1569 C SER A 102 0.541 0.710 15.653 1.00 0.00 C ATOM 1570 O SER A 102 0.667 -0.381 16.207 1.00 0.00 O ATOM 1571 CB SER A 102 2.958 1.210 16.055 1.00 0.00 C ATOM 1572 OG SER A 102 2.658 1.529 17.403 1.00 0.00 O ATOM 0 H SER A 102 1.865 3.374 14.259 1.00 0.00 H new ATOM 0 HA SER A 102 1.990 1.129 14.138 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.248 0.162 15.982 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.810 1.801 15.720 1.00 0.00 H new ATOM 0 HG SER A 102 1.790 1.982 17.447 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.640 1.289 15.459 1.00 0.00 N ATOM 1579 CA GLY A 103 -1.863 0.648 15.902 1.00 0.00 C ATOM 1580 C GLY A 103 -2.023 -0.750 15.338 1.00 0.00 C ATOM 1581 O GLY A 103 -2.850 -1.527 15.811 1.00 0.00 O ATOM 0 H GLY A 103 -0.771 2.192 15.002 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.870 0.600 16.991 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.717 1.256 15.604 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.229 -1.070 14.320 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.288 -2.382 13.688 1.00 0.00 C ATOM 1587 C ASN A 104 -0.199 -2.525 12.628 1.00 0.00 C ATOM 1588 O ASN A 104 -0.225 -1.845 11.603 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.662 -2.606 13.056 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.064 -4.068 13.050 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.281 -4.941 13.424 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -4.292 -4.343 12.622 1.00 0.00 N ATOM 0 H ASN A 104 -0.538 -0.438 13.916 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.123 -3.136 14.458 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.408 -2.029 13.602 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.654 -2.230 12.033 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.618 -5.309 12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.908 -3.588 12.321 1.00 0.00 H new ATOM 1599 N MET A 105 0.754 -3.415 12.884 1.00 0.00 N ATOM 1600 CA MET A 105 1.851 -3.648 11.952 1.00 0.00 C ATOM 1601 C MET A 105 1.626 -4.931 11.158 1.00 0.00 C ATOM 1602 O MET A 105 2.382 -5.246 10.238 1.00 0.00 O ATOM 1603 CB MET A 105 3.180 -3.727 12.704 1.00 0.00 C ATOM 1604 CG MET A 105 3.881 -2.385 12.842 1.00 0.00 C ATOM 1605 SD MET A 105 5.022 -2.054 11.486 1.00 0.00 S ATOM 1606 CE MET A 105 3.875 -1.688 10.160 1.00 0.00 C ATOM 0 H MET A 105 0.789 -3.986 13.728 1.00 0.00 H new ATOM 0 HA MET A 105 1.886 -2.811 11.255 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.002 -4.139 13.698 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.841 -4.421 12.185 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.134 -1.592 12.885 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.427 -2.360 13.785 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.385 -1.116 9.385 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.500 -2.619 9.736 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.041 -1.106 10.551 1.00 0.00 H new ATOM 1616 N THR A 106 0.580 -5.670 11.519 1.00 0.00 N ATOM 1617 CA THR A 106 0.256 -6.918 10.842 1.00 0.00 C ATOM 1618 C THR A 106 -0.652 -6.674 9.642 1.00 0.00 C ATOM 1619 O THR A 106 -0.470 -7.272 8.582 1.00 0.00 O ATOM 1620 CB THR A 106 -0.428 -7.914 11.797 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.782 -7.513 12.033 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.320 -7.998 13.118 1.00 0.00 C ATOM 0 H THR A 106 -0.057 -5.424 12.277 1.00 0.00 H new ATOM 0 HA THR A 106 1.198 -7.345 10.499 1.00 0.00 H new ATOM 0 HB THR A 106 -0.417 -8.899 11.330 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.792 -6.636 12.470 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.182 -8.708 13.776 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.342 -8.331 12.937 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.337 -7.015 13.590 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.631 -5.792 9.818 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.569 -5.470 8.748 1.00 0.00 C ATOM 1632 C GLN A 107 -1.871 -4.713 7.622 1.00 0.00 C ATOM 1633 O GLN A 107 -2.215 -4.868 6.451 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.731 -4.639 9.294 1.00 0.00 C ATOM 1635 CG GLN A 107 -5.017 -4.793 8.497 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.402 -6.243 8.286 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -6.073 -6.847 9.123 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -4.979 -6.811 7.163 1.00 0.00 N ATOM 0 H GLN A 107 -1.795 -5.288 10.690 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.958 -6.405 8.345 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.918 -4.927 10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.442 -3.588 9.303 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.826 -4.278 9.016 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.900 -4.307 7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.425 -6.273 6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.208 -7.785 6.967 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.889 -3.894 7.986 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.144 -3.113 7.007 1.00 0.00 C ATOM 1649 C VAL A 108 0.863 -3.983 6.262 1.00 0.00 C ATOM 1650 O VAL A 108 1.129 -3.766 5.081 1.00 0.00 O ATOM 1651 CB VAL A 108 0.602 -1.941 7.674 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.437 -1.187 6.650 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.382 -1.007 8.363 1.00 0.00 C ATOM 0 H VAL A 108 -0.591 -3.755 8.952 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.871 -2.716 6.299 1.00 0.00 H new ATOM 0 HB VAL A 108 1.275 -2.345 8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.956 -0.363 7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.167 -1.864 6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.787 -0.793 5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.162 -0.185 8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.082 -0.609 7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.932 -1.557 9.127 1.00 0.00 H new ATOM 1663 N GLN A 109 1.418 -4.968 6.962 1.00 0.00 N ATOM 1664 CA GLN A 109 2.395 -5.871 6.367 1.00 0.00 C ATOM 1665 C GLN A 109 1.760 -6.711 5.264 1.00 0.00 C ATOM 1666 O GLN A 109 2.205 -6.690 4.117 1.00 0.00 O ATOM 1667 CB GLN A 109 2.997 -6.782 7.437 1.00 0.00 C ATOM 1668 CG GLN A 109 4.220 -7.552 6.963 1.00 0.00 C ATOM 1669 CD GLN A 109 5.061 -8.075 8.111 1.00 0.00 C ATOM 1670 OE1 GLN A 109 4.535 -8.460 9.156 1.00 0.00 O ATOM 1671 NE2 GLN A 109 6.375 -8.091 7.922 1.00 0.00 N ATOM 0 H GLN A 109 1.207 -5.160 7.941 1.00 0.00 H new ATOM 0 HA GLN A 109 3.188 -5.267 5.926 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.270 -6.180 8.303 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.238 -7.490 7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.900 -8.388 6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.832 -6.904 6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.767 -7.762 7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.992 -8.432 8.659 1.00 0.00 H new ATOM 1680 N VAL A 110 0.714 -7.451 5.620 1.00 0.00 N ATOM 1681 CA VAL A 110 0.015 -8.298 4.661 1.00 0.00 C ATOM 1682 C VAL A 110 -0.488 -7.486 3.474 1.00 0.00 C ATOM 1683 O VAL A 110 -0.499 -7.965 2.340 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.175 -9.024 5.316 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -0.687 -10.013 6.365 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.140 -8.019 5.927 1.00 0.00 C ATOM 0 H VAL A 110 0.332 -7.481 6.565 1.00 0.00 H new ATOM 0 HA VAL A 110 0.734 -9.039 4.311 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.706 -9.582 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.542 -10.516 6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.038 -10.752 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.131 -9.480 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.975 -8.549 6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.622 -7.432 6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.515 -7.355 5.148 1.00 0.00 H new ATOM 1696 N SER A 111 -0.905 -6.253 3.743 1.00 0.00 N ATOM 1697 CA SER A 111 -1.415 -5.373 2.697 1.00 0.00 C ATOM 1698 C SER A 111 -0.412 -5.252 1.553 1.00 0.00 C ATOM 1699 O SER A 111 -0.787 -5.264 0.380 1.00 0.00 O ATOM 1700 CB SER A 111 -1.721 -3.988 3.270 1.00 0.00 C ATOM 1701 OG SER A 111 -2.689 -3.314 2.486 1.00 0.00 O ATOM 0 H SER A 111 -0.900 -5.841 4.676 1.00 0.00 H new ATOM 0 HA SER A 111 -2.335 -5.808 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.082 -4.086 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.806 -3.397 3.310 1.00 0.00 H new ATOM 0 HG SER A 111 -3.547 -3.782 2.553 1.00 0.00 H new ATOM 1707 N LEU A 112 0.864 -5.136 1.904 1.00 0.00 N ATOM 1708 CA LEU A 112 1.922 -5.012 0.908 1.00 0.00 C ATOM 1709 C LEU A 112 2.215 -6.359 0.254 1.00 0.00 C ATOM 1710 O LEU A 112 2.403 -6.445 -0.960 1.00 0.00 O ATOM 1711 CB LEU A 112 3.195 -4.458 1.552 1.00 0.00 C ATOM 1712 CG LEU A 112 3.052 -3.118 2.274 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.322 -2.788 3.043 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.723 -2.010 1.283 1.00 0.00 C ATOM 0 H LEU A 112 1.191 -5.125 2.870 1.00 0.00 H new ATOM 0 HA LEU A 112 1.581 -4.320 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.568 -5.194 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.954 -4.351 0.777 1.00 0.00 H new ATOM 0 HG LEU A 112 2.230 -3.197 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.202 -1.831 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.514 -3.568 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.162 -2.728 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.625 -1.064 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.523 -1.931 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.785 -2.241 0.777 1.00 0.00 H new ATOM 1726 N LEU A 113 2.251 -7.409 1.067 1.00 0.00 N ATOM 1727 CA LEU A 113 2.517 -8.753 0.568 1.00 0.00 C ATOM 1728 C LEU A 113 1.446 -9.189 -0.426 1.00 0.00 C ATOM 1729 O LEU A 113 1.695 -10.021 -1.298 1.00 0.00 O ATOM 1730 CB LEU A 113 2.584 -9.747 1.730 1.00 0.00 C ATOM 1731 CG LEU A 113 3.901 -9.781 2.508 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.746 -10.595 3.783 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.017 -10.348 1.642 1.00 0.00 C ATOM 0 H LEU A 113 2.099 -7.355 2.074 1.00 0.00 H new ATOM 0 HA LEU A 113 3.478 -8.737 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.779 -9.515 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.390 -10.746 1.339 1.00 0.00 H new ATOM 0 HG LEU A 113 4.166 -8.760 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.692 -10.608 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.976 -10.146 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.458 -11.615 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.946 -10.365 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.760 -11.362 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.144 -9.723 0.758 1.00 0.00 H new ATOM 1745 N ALA A 114 0.253 -8.619 -0.289 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.855 -8.944 -1.178 1.00 0.00 C ATOM 1747 C ALA A 114 -0.849 -8.051 -2.413 1.00 0.00 C ATOM 1748 O ALA A 114 -1.049 -8.522 -3.534 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.179 -8.818 -0.439 1.00 0.00 C ATOM 0 H ALA A 114 0.030 -7.930 0.429 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.732 -9.976 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.998 -9.064 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.190 -9.504 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.299 -7.796 -0.080 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.621 -6.760 -2.202 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.590 -5.798 -3.300 1.00 0.00 C ATOM 1757 C LEU A 115 0.563 -6.096 -4.252 1.00 0.00 C ATOM 1758 O LEU A 115 0.441 -5.924 -5.464 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.462 -4.376 -2.754 1.00 0.00 C ATOM 1760 CG LEU A 115 0.077 -3.329 -3.730 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -1.056 -2.728 -4.547 1.00 0.00 C ATOM 1762 CD2 LEU A 115 0.832 -2.239 -2.980 1.00 0.00 C ATOM 0 H LEU A 115 -0.455 -6.354 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.525 -5.885 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.443 -4.051 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.191 -4.400 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 115 0.770 -3.820 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.654 -1.985 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.554 -3.515 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.774 -2.252 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.208 -1.503 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.160 -1.751 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.668 -2.682 -2.439 1.00 0.00 H new ATOM 1774 N ALA A 116 1.682 -6.546 -3.694 1.00 0.00 N ATOM 1775 CA ALA A 116 2.857 -6.873 -4.494 1.00 0.00 C ATOM 1776 C ALA A 116 2.608 -8.104 -5.358 1.00 0.00 C ATOM 1777 O ALA A 116 2.866 -8.094 -6.561 1.00 0.00 O ATOM 1778 CB ALA A 116 4.063 -7.092 -3.594 1.00 0.00 C ATOM 0 H ALA A 116 1.800 -6.693 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 116 3.060 -6.032 -5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.933 -7.335 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.262 -6.184 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.860 -7.914 -2.907 1.00 0.00 H new ATOM 1784 N GLY A 117 2.104 -9.166 -4.736 1.00 0.00 N ATOM 1785 CA GLY A 117 1.829 -10.392 -5.464 1.00 0.00 C ATOM 1786 C GLY A 117 1.061 -10.144 -6.746 1.00 0.00 C ATOM 1787 O GLY A 117 1.337 -10.763 -7.774 1.00 0.00 O ATOM 0 H GLY A 117 1.881 -9.199 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.769 -10.891 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.259 -11.069 -4.828 1.00 0.00 H new ATOM 1791 N LYS A 118 0.092 -9.237 -6.688 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.721 -8.907 -7.853 1.00 0.00 C ATOM 1793 C LYS A 118 0.049 -8.012 -8.817 1.00 0.00 C ATOM 1794 O LYS A 118 -0.033 -8.178 -10.035 1.00 0.00 O ATOM 1795 CB LYS A 118 -2.015 -8.215 -7.419 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.737 -7.509 -8.554 1.00 0.00 C ATOM 1797 CD LYS A 118 -4.240 -7.494 -8.334 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.635 -6.498 -7.253 1.00 0.00 C ATOM 1799 NZ LYS A 118 -4.651 -7.124 -5.902 1.00 0.00 N ATOM 0 H LYS A 118 -0.150 -8.716 -5.845 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.969 -9.836 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.683 -8.955 -6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.785 -7.490 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.371 -6.486 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.511 -8.008 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.743 -7.239 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.578 -8.491 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.937 -5.661 -7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.621 -6.091 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.628 -7.157 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.272 -8.091 -5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.065 -6.562 -5.252 1.00 0.00 H new ATOM 1813 N ALA A 119 0.797 -7.061 -8.266 1.00 0.00 N ATOM 1814 CA ALA A 119 1.584 -6.142 -9.079 1.00 0.00 C ATOM 1815 C ALA A 119 2.710 -6.873 -9.801 1.00 0.00 C ATOM 1816 O ALA A 119 3.165 -6.443 -10.861 1.00 0.00 O ATOM 1817 CB ALA A 119 2.147 -5.024 -8.213 1.00 0.00 C ATOM 0 H ALA A 119 0.874 -6.907 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 119 0.927 -5.708 -9.833 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.733 -4.344 -8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.327 -4.476 -7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.785 -5.450 -7.438 1.00 0.00 H new