USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 786 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 98 ASN :FLIP amide:sc= 0.422 F(o=-2.8,f=-1.6) USER MOD Set 1.2: A 102 SER OG : rot 26:sc= -2.03! USER MOD Set 2.1: A 92 THR OG1 : rot 112:sc= 1.25 USER MOD Set 2.2: A 94 ASN : amide:sc= 0.746 K(o=2,f=-4.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.518 F(o=-2.3!,f=-0.52) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0732) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.75 K(o=-1.7,f=-3.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -6.96! C(o=-7.6!,f=-7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.59) USER MOD Single : A 45 CYS SG : rot -70:sc= -1.81 USER MOD Single : A 50 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=-0.29) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.495 F(o=-2.4,f=-0.49) USER MOD Single : A 61 SER OG : rot 26:sc= 0.371 USER MOD Single : A 63 THR OG1 : rot -140:sc= -2.97 USER MOD Single : A 74 HIS : no HD1:sc= -16.8! C(o=-17!,f=-20!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -3.27! C(o=-3.3!,f=-4.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -8.92! C(o=-8.9!,f=-9.8!) USER MOD Single : A 101 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.055) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -166:sc= 0.471 (180deg=0.416) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 -4.277 -12.740 37.731 1.00 0.00 N ATOM 54 CA LEU A 5 -5.047 -11.984 36.758 1.00 0.00 C ATOM 55 C LEU A 5 -4.650 -12.423 35.347 1.00 0.00 C ATOM 56 O LEU A 5 -4.845 -11.683 34.385 1.00 0.00 O ATOM 57 CB LEU A 5 -4.889 -10.481 37.001 1.00 0.00 C ATOM 58 CG LEU A 5 -4.611 -10.061 38.446 1.00 0.00 C ATOM 59 CD1 LEU A 5 -3.541 -8.968 38.502 1.00 0.00 C ATOM 60 CD2 LEU A 5 -5.900 -9.638 39.152 1.00 0.00 C ATOM 0 HA LEU A 5 -6.111 -12.192 36.870 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.076 -10.115 36.374 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.798 -9.981 36.667 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.219 -10.924 38.984 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.362 -8.687 39.540 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.616 -9.341 38.062 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.882 -8.096 37.944 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.674 -9.344 40.177 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.345 -8.795 38.623 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.601 -10.472 39.160 1.00 0.00 H new ATOM 72 N VAL A 6 -4.102 -13.627 35.269 1.00 0.00 N ATOM 73 CA VAL A 6 -3.676 -14.174 33.992 1.00 0.00 C ATOM 74 C VAL A 6 -4.792 -15.051 33.421 1.00 0.00 C ATOM 75 O VAL A 6 -4.771 -15.399 32.241 1.00 0.00 O ATOM 76 CB VAL A 6 -2.353 -14.923 34.159 1.00 0.00 C ATOM 77 CG1 VAL A 6 -2.020 -15.733 32.904 1.00 0.00 C ATOM 78 CG2 VAL A 6 -1.217 -13.959 34.507 1.00 0.00 C ATOM 0 H VAL A 6 -3.943 -14.239 36.069 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.492 -13.374 33.275 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.465 -15.621 34.989 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.075 -16.256 33.049 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.812 -16.459 32.719 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.936 -15.062 32.049 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.288 -14.517 34.620 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.105 -13.226 33.708 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.448 -13.446 35.441 1.00 0.00 H new ATOM 88 N LYS A 7 -5.740 -15.385 34.285 1.00 0.00 N ATOM 89 CA LYS A 7 -6.862 -16.215 33.881 1.00 0.00 C ATOM 90 C LYS A 7 -7.899 -15.349 33.162 1.00 0.00 C ATOM 91 O LYS A 7 -9.020 -15.791 32.919 1.00 0.00 O ATOM 92 CB LYS A 7 -7.424 -16.977 35.083 1.00 0.00 C ATOM 93 CG LYS A 7 -6.301 -17.617 35.901 1.00 0.00 C ATOM 94 CD LYS A 7 -5.789 -16.656 36.975 1.00 0.00 C ATOM 95 CE LYS A 7 -5.807 -17.315 38.355 1.00 0.00 C ATOM 96 NZ LYS A 7 -4.475 -17.222 38.992 1.00 0.00 N ATOM 0 H LYS A 7 -5.754 -15.096 35.263 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.537 -16.977 33.173 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.996 -16.297 35.714 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.113 -17.748 34.739 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.664 -18.532 36.370 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.481 -17.900 35.241 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.774 -16.341 36.732 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.407 -15.758 36.989 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.553 -16.831 38.986 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.099 -18.361 38.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.505 -17.674 39.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.771 -17.704 38.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.211 -16.222 39.099 1.00 0.00 H new ATOM 110 N GLY A 8 -7.487 -14.131 32.843 1.00 0.00 N ATOM 111 CA GLY A 8 -8.366 -13.200 32.157 1.00 0.00 C ATOM 112 C GLY A 8 -7.877 -11.759 32.325 1.00 0.00 C ATOM 113 O GLY A 8 -8.539 -10.946 32.968 1.00 0.00 O ATOM 0 H GLY A 8 -6.556 -13.767 33.047 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.412 -13.451 31.097 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.378 -13.293 32.551 1.00 0.00 H new ATOM 117 N PRO A 9 -6.691 -11.481 31.720 1.00 0.00 N ATOM 118 CA PRO A 9 -6.106 -10.153 31.796 1.00 0.00 C ATOM 119 C PRO A 9 -6.843 -9.176 30.878 1.00 0.00 C ATOM 120 O PRO A 9 -7.896 -9.503 30.335 1.00 0.00 O ATOM 121 CB PRO A 9 -4.647 -10.344 31.412 1.00 0.00 C ATOM 122 CG PRO A 9 -4.578 -11.679 30.689 1.00 0.00 C ATOM 123 CD PRO A 9 -5.879 -12.419 30.950 1.00 0.00 C ATOM 0 HA PRO A 9 -6.188 -9.713 32.790 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.303 -9.534 30.769 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.008 -10.344 32.295 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.434 -11.527 29.619 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.729 -12.262 31.045 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.371 -12.696 30.018 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.706 -13.341 31.505 1.00 0.00 H new ATOM 131 N TRP A 10 -6.260 -7.995 30.734 1.00 0.00 N ATOM 132 CA TRP A 10 -6.848 -6.967 29.892 1.00 0.00 C ATOM 133 C TRP A 10 -6.845 -7.479 28.450 1.00 0.00 C ATOM 134 O TRP A 10 -5.831 -7.980 27.968 1.00 0.00 O ATOM 135 CB TRP A 10 -6.111 -5.636 30.055 1.00 0.00 C ATOM 136 CG TRP A 10 -6.196 -5.047 31.465 1.00 0.00 C ATOM 137 CD1 TRP A 10 -6.130 -5.696 32.635 1.00 0.00 C ATOM 138 CD2 TRP A 10 -6.365 -3.655 31.806 1.00 0.00 C ATOM 139 NE1 TRP A 10 -6.244 -4.827 33.702 1.00 0.00 N ATOM 140 CE2 TRP A 10 -6.391 -3.547 33.181 1.00 0.00 C ATOM 141 CE3 TRP A 10 -6.491 -2.525 30.980 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -6.543 -2.327 33.852 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -6.642 -1.313 31.665 1.00 0.00 C ATOM 144 CH2 TRP A 10 -6.671 -1.187 33.049 1.00 0.00 C ATOM 0 H TRP A 10 -5.386 -7.727 31.187 1.00 0.00 H new ATOM 0 HA TRP A 10 -7.878 -6.767 30.189 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -5.062 -5.779 29.794 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -6.521 -4.916 29.346 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.004 -6.764 32.732 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.224 -5.078 34.690 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -6.473 -2.587 29.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -6.561 -2.269 34.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -6.743 -0.413 31.077 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -6.792 -0.214 33.503 1.00 0.00 H new ATOM 155 N THR A 11 -7.993 -7.335 27.803 1.00 0.00 N ATOM 156 CA THR A 11 -8.135 -7.777 26.426 1.00 0.00 C ATOM 157 C THR A 11 -8.238 -6.573 25.488 1.00 0.00 C ATOM 158 O THR A 11 -7.911 -5.452 25.873 1.00 0.00 O ATOM 159 CB THR A 11 -9.345 -8.710 26.352 1.00 0.00 C ATOM 160 OG1 THR A 11 -10.462 -7.847 26.546 1.00 0.00 O ATOM 161 CG2 THR A 11 -9.413 -9.677 27.536 1.00 0.00 C ATOM 0 H THR A 11 -8.832 -6.919 28.207 1.00 0.00 H new ATOM 0 HA THR A 11 -7.257 -8.332 26.096 1.00 0.00 H new ATOM 0 HB THR A 11 -9.309 -9.277 25.422 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.290 -8.370 26.511 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.290 -10.316 27.434 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.515 -10.294 27.554 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.483 -9.111 28.465 1.00 0.00 H new ATOM 169 N LYS A 12 -8.694 -6.846 24.274 1.00 0.00 N ATOM 170 CA LYS A 12 -8.844 -5.799 23.278 1.00 0.00 C ATOM 171 C LYS A 12 -9.475 -4.567 23.930 1.00 0.00 C ATOM 172 O LYS A 12 -8.887 -3.487 23.924 1.00 0.00 O ATOM 173 CB LYS A 12 -9.620 -6.320 22.066 1.00 0.00 C ATOM 174 CG LYS A 12 -9.482 -5.368 20.876 1.00 0.00 C ATOM 175 CD LYS A 12 -10.854 -4.970 20.330 1.00 0.00 C ATOM 176 CE LYS A 12 -10.716 -4.010 19.147 1.00 0.00 C ATOM 177 NZ LYS A 12 -10.562 -4.764 17.882 1.00 0.00 N ATOM 0 H LYS A 12 -8.964 -7.777 23.958 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.870 -5.494 22.896 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.251 -7.308 21.791 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.673 -6.434 22.325 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.935 -4.476 21.181 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.898 -5.846 20.089 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.398 -5.862 20.018 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.441 -4.499 21.119 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.594 -3.367 19.089 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.854 -3.360 19.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.470 -4.097 17.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.711 -5.360 17.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.397 -5.366 17.733 1.00 0.00 H new ATOM 191 N GLU A 13 -10.665 -4.771 24.477 1.00 0.00 N ATOM 192 CA GLU A 13 -11.382 -3.690 25.132 1.00 0.00 C ATOM 193 C GLU A 13 -10.426 -2.864 25.994 1.00 0.00 C ATOM 194 O GLU A 13 -10.046 -1.756 25.619 1.00 0.00 O ATOM 195 CB GLU A 13 -12.545 -4.231 25.966 1.00 0.00 C ATOM 196 CG GLU A 13 -13.734 -3.269 25.937 1.00 0.00 C ATOM 197 CD GLU A 13 -14.063 -2.760 27.342 1.00 0.00 C ATOM 198 OE1 GLU A 13 -14.090 -3.607 28.260 1.00 0.00 O ATOM 199 OE2 GLU A 13 -14.280 -1.535 27.465 1.00 0.00 O ATOM 0 H GLU A 13 -11.150 -5.668 24.480 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.800 -3.039 24.364 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.851 -5.204 25.582 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.220 -4.382 26.995 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.508 -2.426 25.285 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.604 -3.773 25.516 1.00 0.00 H new ATOM 206 N GLU A 14 -10.063 -3.436 27.133 1.00 0.00 N ATOM 207 CA GLU A 14 -9.158 -2.766 28.051 1.00 0.00 C ATOM 208 C GLU A 14 -7.915 -2.273 27.307 1.00 0.00 C ATOM 209 O GLU A 14 -7.407 -1.189 27.591 1.00 0.00 O ATOM 210 CB GLU A 14 -8.773 -3.687 29.211 1.00 0.00 C ATOM 211 CG GLU A 14 -9.479 -3.268 30.502 1.00 0.00 C ATOM 212 CD GLU A 14 -9.206 -1.797 30.824 1.00 0.00 C ATOM 213 OE1 GLU A 14 -8.504 -1.159 30.010 1.00 0.00 O ATOM 214 OE2 GLU A 14 -9.704 -1.345 31.877 1.00 0.00 O ATOM 0 H GLU A 14 -10.379 -4.356 27.441 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.672 -1.902 28.471 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.036 -4.716 28.966 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.693 -3.661 29.358 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.552 -3.429 30.402 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.138 -3.894 31.327 1.00 0.00 H new ATOM 221 N ASP A 15 -7.462 -3.092 26.369 1.00 0.00 N ATOM 222 CA ASP A 15 -6.289 -2.752 25.582 1.00 0.00 C ATOM 223 C ASP A 15 -6.578 -1.495 24.760 1.00 0.00 C ATOM 224 O ASP A 15 -5.668 -0.725 24.456 1.00 0.00 O ATOM 225 CB ASP A 15 -5.932 -3.880 24.612 1.00 0.00 C ATOM 226 CG ASP A 15 -5.059 -4.989 25.203 1.00 0.00 C ATOM 227 OD1 ASP A 15 -3.888 -4.684 25.515 1.00 0.00 O ATOM 228 OD2 ASP A 15 -5.583 -6.117 25.328 1.00 0.00 O ATOM 0 H ASP A 15 -7.886 -3.990 26.136 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.458 -2.589 26.268 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.855 -4.324 24.240 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.416 -3.451 23.753 1.00 0.00 H new ATOM 233 N GLN A 16 -7.848 -1.326 24.424 1.00 0.00 N ATOM 234 CA GLN A 16 -8.269 -0.175 23.643 1.00 0.00 C ATOM 235 C GLN A 16 -8.026 1.116 24.427 1.00 0.00 C ATOM 236 O GLN A 16 -7.759 2.163 23.839 1.00 0.00 O ATOM 237 CB GLN A 16 -9.737 -0.298 23.231 1.00 0.00 C ATOM 238 CG GLN A 16 -10.656 0.321 24.285 1.00 0.00 C ATOM 239 CD GLN A 16 -11.187 1.679 23.821 1.00 0.00 C ATOM 240 OE1 GLN A 16 -10.337 2.359 23.057 1.00 0.00 O flip ATOM 241 NE2 GLN A 16 -12.294 2.082 24.136 1.00 0.00 N flip ATOM 0 H GLN A 16 -8.600 -1.967 24.678 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.672 -0.142 22.732 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.892 0.197 22.272 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.993 -1.348 23.092 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.491 -0.351 24.484 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.112 0.440 25.222 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.897 1.508 24.726 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.617 2.993 23.809 1.00 0.00 H new ATOM 250 N LYS A 17 -8.128 1.000 25.743 1.00 0.00 N ATOM 251 CA LYS A 17 -7.923 2.144 26.614 1.00 0.00 C ATOM 252 C LYS A 17 -6.461 2.587 26.531 1.00 0.00 C ATOM 253 O LYS A 17 -6.176 3.774 26.377 1.00 0.00 O ATOM 254 CB LYS A 17 -8.390 1.826 28.036 1.00 0.00 C ATOM 255 CG LYS A 17 -8.859 3.092 28.755 1.00 0.00 C ATOM 256 CD LYS A 17 -8.814 2.910 30.273 1.00 0.00 C ATOM 257 CE LYS A 17 -9.058 4.237 30.993 1.00 0.00 C ATOM 258 NZ LYS A 17 -9.760 4.010 32.276 1.00 0.00 N ATOM 0 H LYS A 17 -8.350 0.130 26.227 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.531 2.987 26.285 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.203 1.101 28.002 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.576 1.366 28.596 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.228 3.933 28.467 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.875 3.335 28.444 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.567 2.183 30.578 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.845 2.507 30.566 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.108 4.738 31.176 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.650 4.897 30.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.918 4.921 32.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.676 3.551 32.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.181 3.397 32.885 1.00 0.00 H new ATOM 272 N VAL A 18 -5.573 1.610 26.638 1.00 0.00 N ATOM 273 CA VAL A 18 -4.147 1.884 26.577 1.00 0.00 C ATOM 274 C VAL A 18 -3.825 2.600 25.264 1.00 0.00 C ATOM 275 O VAL A 18 -3.109 3.599 25.257 1.00 0.00 O ATOM 276 CB VAL A 18 -3.357 0.587 26.760 1.00 0.00 C ATOM 277 CG1 VAL A 18 -2.062 0.614 25.945 1.00 0.00 C ATOM 278 CG2 VAL A 18 -3.068 0.324 28.239 1.00 0.00 C ATOM 0 H VAL A 18 -5.813 0.627 26.767 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.850 2.547 27.390 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.971 -0.233 26.388 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.519 -0.320 26.093 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.300 0.732 24.888 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.443 1.449 26.273 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.505 -0.604 28.340 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.484 1.149 28.648 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.008 0.240 28.784 1.00 0.00 H new ATOM 288 N ILE A 19 -4.371 2.061 24.184 1.00 0.00 N ATOM 289 CA ILE A 19 -4.151 2.636 22.867 1.00 0.00 C ATOM 290 C ILE A 19 -4.510 4.123 22.899 1.00 0.00 C ATOM 291 O ILE A 19 -3.870 4.934 22.231 1.00 0.00 O ATOM 292 CB ILE A 19 -4.911 1.843 21.802 1.00 0.00 C ATOM 293 CG1 ILE A 19 -4.064 0.684 21.273 1.00 0.00 C ATOM 294 CG2 ILE A 19 -5.395 2.760 20.677 1.00 0.00 C ATOM 295 CD1 ILE A 19 -3.080 0.194 22.337 1.00 0.00 C ATOM 0 H ILE A 19 -4.965 1.232 24.194 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.099 2.567 22.592 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.796 1.409 22.266 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.714 -0.136 20.968 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.517 1.004 20.386 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.932 2.171 19.933 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.060 3.520 21.088 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.538 3.243 20.207 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.490 -0.630 21.935 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.416 1.010 22.622 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.632 -0.148 23.213 1.00 0.00 H new ATOM 307 N GLU A 20 -5.531 4.436 23.683 1.00 0.00 N ATOM 308 CA GLU A 20 -5.982 5.812 23.810 1.00 0.00 C ATOM 309 C GLU A 20 -4.982 6.624 24.636 1.00 0.00 C ATOM 310 O GLU A 20 -4.912 7.845 24.507 1.00 0.00 O ATOM 311 CB GLU A 20 -7.381 5.875 24.426 1.00 0.00 C ATOM 312 CG GLU A 20 -8.226 6.961 23.756 1.00 0.00 C ATOM 313 CD GLU A 20 -7.816 8.353 24.243 1.00 0.00 C ATOM 314 OE1 GLU A 20 -7.960 8.593 25.461 1.00 0.00 O ATOM 315 OE2 GLU A 20 -7.368 9.144 23.385 1.00 0.00 O ATOM 0 H GLU A 20 -6.059 3.761 24.236 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.040 6.249 22.813 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.873 4.908 24.319 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.303 6.077 25.494 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.110 6.901 22.674 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.281 6.792 23.973 1.00 0.00 H new ATOM 322 N LEU A 21 -4.234 5.912 25.467 1.00 0.00 N ATOM 323 CA LEU A 21 -3.242 6.552 26.314 1.00 0.00 C ATOM 324 C LEU A 21 -1.974 6.813 25.499 1.00 0.00 C ATOM 325 O LEU A 21 -1.578 7.963 25.312 1.00 0.00 O ATOM 326 CB LEU A 21 -3.001 5.722 27.577 1.00 0.00 C ATOM 327 CG LEU A 21 -3.893 6.050 28.776 1.00 0.00 C ATOM 328 CD1 LEU A 21 -4.192 4.794 29.596 1.00 0.00 C ATOM 329 CD2 LEU A 21 -3.277 7.159 29.630 1.00 0.00 C ATOM 0 H LEU A 21 -4.295 4.899 25.571 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.604 7.520 26.660 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.135 4.670 27.327 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.961 5.848 27.878 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.846 6.424 28.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.828 5.055 30.442 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.704 4.064 28.969 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.258 4.367 29.962 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.931 7.373 30.475 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.303 6.837 29.997 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.158 8.059 29.027 1.00 0.00 H new ATOM 341 N VAL A 22 -1.373 5.728 25.035 1.00 0.00 N ATOM 342 CA VAL A 22 -0.158 5.825 24.244 1.00 0.00 C ATOM 343 C VAL A 22 -0.384 6.803 23.089 1.00 0.00 C ATOM 344 O VAL A 22 0.568 7.376 22.561 1.00 0.00 O ATOM 345 CB VAL A 22 0.274 4.435 23.775 1.00 0.00 C ATOM 346 CG1 VAL A 22 1.350 4.532 22.691 1.00 0.00 C ATOM 347 CG2 VAL A 22 0.756 3.584 24.951 1.00 0.00 C ATOM 0 H VAL A 22 -1.705 4.776 25.192 1.00 0.00 H new ATOM 0 HA VAL A 22 0.660 6.218 24.847 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.596 3.943 23.341 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.640 3.530 22.375 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.957 5.083 21.836 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.221 5.053 23.089 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.057 2.601 24.589 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.606 4.071 25.428 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.051 3.473 25.675 1.00 0.00 H new ATOM 357 N LYS A 23 -1.649 6.963 22.731 1.00 0.00 N ATOM 358 CA LYS A 23 -2.012 7.861 21.648 1.00 0.00 C ATOM 359 C LYS A 23 -1.817 9.309 22.104 1.00 0.00 C ATOM 360 O LYS A 23 -1.077 10.066 21.478 1.00 0.00 O ATOM 361 CB LYS A 23 -3.428 7.559 21.152 1.00 0.00 C ATOM 362 CG LYS A 23 -3.397 6.619 19.945 1.00 0.00 C ATOM 363 CD LYS A 23 -3.956 7.310 18.699 1.00 0.00 C ATOM 364 CE LYS A 23 -3.833 6.406 17.470 1.00 0.00 C ATOM 365 NZ LYS A 23 -3.004 7.056 16.430 1.00 0.00 N ATOM 0 H LYS A 23 -2.436 6.486 23.172 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.358 7.705 20.790 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.010 7.107 21.955 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.928 8.489 20.881 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.373 6.295 19.758 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.980 5.724 20.161 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.002 7.570 18.861 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.420 8.243 18.524 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.388 5.453 17.755 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.824 6.188 17.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.930 6.430 15.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.445 7.954 16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.054 7.241 16.809 1.00 0.00 H new ATOM 379 N LYS A 24 -2.493 9.649 23.191 1.00 0.00 N ATOM 380 CA LYS A 24 -2.403 10.992 23.739 1.00 0.00 C ATOM 381 C LYS A 24 -0.974 11.245 24.225 1.00 0.00 C ATOM 382 O LYS A 24 -0.543 12.393 24.326 1.00 0.00 O ATOM 383 CB LYS A 24 -3.466 11.203 24.818 1.00 0.00 C ATOM 384 CG LYS A 24 -3.840 12.682 24.937 1.00 0.00 C ATOM 385 CD LYS A 24 -3.391 13.255 26.283 1.00 0.00 C ATOM 386 CE LYS A 24 -4.375 12.881 27.394 1.00 0.00 C ATOM 387 NZ LYS A 24 -5.596 13.712 27.305 1.00 0.00 N ATOM 0 H LYS A 24 -3.106 9.018 23.707 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.614 11.733 22.968 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.354 10.618 24.578 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.094 10.840 25.776 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.377 13.244 24.126 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.919 12.798 24.830 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.398 12.878 26.530 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.312 14.340 26.212 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.639 11.826 27.315 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.904 13.019 28.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.151 13.608 28.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.329 14.709 27.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.167 13.404 26.493 1.00 0.00 H new ATOM 401 N TYR A 25 -0.280 10.154 24.515 1.00 0.00 N ATOM 402 CA TYR A 25 1.091 10.243 24.988 1.00 0.00 C ATOM 403 C TYR A 25 2.070 10.351 23.817 1.00 0.00 C ATOM 404 O TYR A 25 2.816 11.323 23.715 1.00 0.00 O ATOM 405 CB TYR A 25 1.361 8.942 25.746 1.00 0.00 C ATOM 406 CG TYR A 25 0.821 8.931 27.177 1.00 0.00 C ATOM 407 CD1 TYR A 25 -0.344 9.606 27.480 1.00 0.00 C ATOM 408 CD2 TYR A 25 1.500 8.247 28.165 1.00 0.00 C ATOM 409 CE1 TYR A 25 -0.852 9.596 28.828 1.00 0.00 C ATOM 410 CE2 TYR A 25 0.992 8.238 29.513 1.00 0.00 C ATOM 411 CZ TYR A 25 -0.159 8.912 29.777 1.00 0.00 C ATOM 412 OH TYR A 25 -0.639 8.903 31.050 1.00 0.00 O ATOM 0 H TYR A 25 -0.642 9.204 24.431 1.00 0.00 H new ATOM 0 HA TYR A 25 1.225 11.126 25.613 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.916 8.114 25.195 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.436 8.766 25.773 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.875 10.142 26.707 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.412 7.719 27.928 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.762 10.120 29.079 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.514 7.708 30.296 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.043 8.375 31.621 1.00 0.00 H new ATOM 422 N GLY A 26 2.034 9.338 22.963 1.00 0.00 N ATOM 423 CA GLY A 26 2.909 9.307 21.804 1.00 0.00 C ATOM 424 C GLY A 26 4.289 9.875 22.142 1.00 0.00 C ATOM 425 O GLY A 26 4.458 11.090 22.231 1.00 0.00 O ATOM 0 H GLY A 26 1.413 8.534 23.051 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.011 8.282 21.449 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.464 9.883 20.993 1.00 0.00 H new ATOM 429 N THR A 27 5.239 8.970 22.321 1.00 0.00 N ATOM 430 CA THR A 27 6.598 9.366 22.647 1.00 0.00 C ATOM 431 C THR A 27 7.454 8.135 22.951 1.00 0.00 C ATOM 432 O THR A 27 8.398 7.835 22.221 1.00 0.00 O ATOM 433 CB THR A 27 6.535 10.363 23.806 1.00 0.00 C ATOM 434 OG1 THR A 27 7.828 10.288 24.400 1.00 0.00 O ATOM 435 CG2 THR A 27 5.587 9.910 24.917 1.00 0.00 C ATOM 0 H THR A 27 5.095 7.963 22.246 1.00 0.00 H new ATOM 0 HA THR A 27 7.080 9.858 21.802 1.00 0.00 H new ATOM 0 HB THR A 27 6.216 11.335 23.431 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.875 10.905 25.160 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.580 10.653 25.714 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.580 9.800 24.514 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.924 8.953 25.316 1.00 0.00 H new ATOM 443 N LYS A 28 7.095 7.456 24.030 1.00 0.00 N ATOM 444 CA LYS A 28 7.819 6.264 24.440 1.00 0.00 C ATOM 445 C LYS A 28 7.408 5.888 25.865 1.00 0.00 C ATOM 446 O LYS A 28 8.252 5.523 26.682 1.00 0.00 O ATOM 447 CB LYS A 28 9.325 6.466 24.267 1.00 0.00 C ATOM 448 CG LYS A 28 9.862 5.621 23.110 1.00 0.00 C ATOM 449 CD LYS A 28 10.922 6.387 22.316 1.00 0.00 C ATOM 450 CE LYS A 28 11.324 5.620 21.055 1.00 0.00 C ATOM 451 NZ LYS A 28 12.585 6.161 20.499 1.00 0.00 N ATOM 0 H LYS A 28 6.312 7.708 24.633 1.00 0.00 H new ATOM 0 HA LYS A 28 7.559 5.421 23.800 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.535 7.519 24.081 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.840 6.196 25.189 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.291 4.697 23.498 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.042 5.339 22.450 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.536 7.369 22.041 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.800 6.553 22.940 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.447 4.563 21.289 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.531 5.691 20.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.844 5.629 19.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.456 7.164 20.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.343 6.070 21.205 1.00 0.00 H new ATOM 465 N GLN A 29 6.112 5.991 26.120 1.00 0.00 N ATOM 466 CA GLN A 29 5.580 5.667 27.433 1.00 0.00 C ATOM 467 C GLN A 29 4.874 4.310 27.398 1.00 0.00 C ATOM 468 O GLN A 29 3.653 4.245 27.259 1.00 0.00 O ATOM 469 CB GLN A 29 4.636 6.764 27.928 1.00 0.00 C ATOM 470 CG GLN A 29 5.399 7.829 28.718 1.00 0.00 C ATOM 471 CD GLN A 29 4.452 8.917 29.228 1.00 0.00 C ATOM 472 OE1 GLN A 29 3.719 8.739 30.187 1.00 0.00 O ATOM 473 NE2 GLN A 29 4.509 10.051 28.536 1.00 0.00 N ATOM 0 H GLN A 29 5.415 6.294 25.440 1.00 0.00 H new ATOM 0 HA GLN A 29 6.411 5.605 28.136 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.133 7.227 27.079 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.861 6.325 28.557 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.912 7.364 29.560 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.166 8.276 28.085 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.145 10.133 27.743 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.916 10.839 28.798 1.00 0.00 H new ATOM 482 N TRP A 30 5.671 3.260 27.528 1.00 0.00 N ATOM 483 CA TRP A 30 5.138 1.909 27.514 1.00 0.00 C ATOM 484 C TRP A 30 4.904 1.477 28.963 1.00 0.00 C ATOM 485 O TRP A 30 4.403 0.382 29.215 1.00 0.00 O ATOM 486 CB TRP A 30 6.066 0.961 26.751 1.00 0.00 C ATOM 487 CG TRP A 30 5.755 0.855 25.257 1.00 0.00 C ATOM 488 CD1 TRP A 30 6.530 1.216 24.225 1.00 0.00 C ATOM 489 CD2 TRP A 30 4.545 0.336 24.665 1.00 0.00 C ATOM 490 NE1 TRP A 30 5.911 0.969 23.016 1.00 0.00 N ATOM 491 CE2 TRP A 30 4.665 0.417 23.293 1.00 0.00 C ATOM 492 CE3 TRP A 30 3.387 -0.184 25.269 1.00 0.00 C ATOM 493 CZ2 TRP A 30 3.664 -0.004 22.409 1.00 0.00 C ATOM 494 CZ3 TRP A 30 2.396 -0.600 24.373 1.00 0.00 C ATOM 495 CH2 TRP A 30 2.502 -0.526 22.989 1.00 0.00 C ATOM 0 H TRP A 30 6.683 3.318 27.644 1.00 0.00 H new ATOM 0 HA TRP A 30 4.187 1.876 26.983 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.095 1.299 26.874 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.001 -0.032 27.197 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.515 1.646 24.326 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.296 1.157 22.090 1.00 0.00 H new ATOM 0 HE3 TRP A 30 3.271 -0.257 26.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.782 0.070 21.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.485 -1.007 24.786 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.691 -0.870 22.364 1.00 0.00 H new ATOM 506 N THR A 31 5.276 2.361 29.877 1.00 0.00 N ATOM 507 CA THR A 31 5.113 2.085 31.295 1.00 0.00 C ATOM 508 C THR A 31 3.637 2.172 31.688 1.00 0.00 C ATOM 509 O THR A 31 3.132 1.314 32.411 1.00 0.00 O ATOM 510 CB THR A 31 6.006 3.055 32.071 1.00 0.00 C ATOM 511 OG1 THR A 31 6.783 2.211 32.916 1.00 0.00 O ATOM 512 CG2 THR A 31 5.213 3.930 33.044 1.00 0.00 C ATOM 0 H THR A 31 5.690 3.269 29.664 1.00 0.00 H new ATOM 0 HA THR A 31 5.423 1.069 31.539 1.00 0.00 H new ATOM 0 HB THR A 31 6.547 3.691 31.370 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.392 2.758 33.454 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.894 4.600 33.569 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.481 4.518 32.491 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.699 3.297 33.767 1.00 0.00 H new ATOM 520 N LEU A 32 2.986 3.214 31.194 1.00 0.00 N ATOM 521 CA LEU A 32 1.577 3.424 31.485 1.00 0.00 C ATOM 522 C LEU A 32 0.807 2.131 31.210 1.00 0.00 C ATOM 523 O LEU A 32 0.039 1.671 32.054 1.00 0.00 O ATOM 524 CB LEU A 32 1.045 4.633 30.713 1.00 0.00 C ATOM 525 CG LEU A 32 0.426 4.336 29.345 1.00 0.00 C ATOM 526 CD1 LEU A 32 -0.934 3.651 29.496 1.00 0.00 C ATOM 527 CD2 LEU A 32 0.338 5.606 28.496 1.00 0.00 C ATOM 0 H LEU A 32 3.408 3.923 30.594 1.00 0.00 H new ATOM 0 HA LEU A 32 1.436 3.662 32.539 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.296 5.131 31.328 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.864 5.339 30.574 1.00 0.00 H new ATOM 0 HG LEU A 32 1.079 3.641 28.817 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.352 3.451 28.509 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.810 2.712 30.035 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.609 4.302 30.051 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.105 5.367 27.529 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.281 6.343 29.007 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.338 6.013 28.346 1.00 0.00 H new ATOM 539 N ILE A 33 1.039 1.581 30.027 1.00 0.00 N ATOM 540 CA ILE A 33 0.376 0.350 29.631 1.00 0.00 C ATOM 541 C ILE A 33 0.607 -0.716 30.703 1.00 0.00 C ATOM 542 O ILE A 33 -0.343 -1.208 31.310 1.00 0.00 O ATOM 543 CB ILE A 33 0.827 -0.075 28.233 1.00 0.00 C ATOM 544 CG1 ILE A 33 0.581 1.039 27.214 1.00 0.00 C ATOM 545 CG2 ILE A 33 0.162 -1.389 27.818 1.00 0.00 C ATOM 546 CD1 ILE A 33 1.828 1.906 27.037 1.00 0.00 C ATOM 0 H ILE A 33 1.677 1.965 29.330 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.701 0.503 29.560 1.00 0.00 H new ATOM 0 HB ILE A 33 1.902 -0.253 28.261 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.297 0.604 26.256 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.253 1.659 27.542 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.500 -1.669 26.820 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.432 -2.173 28.525 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.921 -1.263 27.812 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.626 2.690 26.307 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.095 2.359 27.992 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.654 1.288 26.686 1.00 0.00 H new ATOM 558 N ALA A 34 1.876 -1.042 30.904 1.00 0.00 N ATOM 559 CA ALA A 34 2.244 -2.042 31.893 1.00 0.00 C ATOM 560 C ALA A 34 1.804 -1.568 33.279 1.00 0.00 C ATOM 561 O ALA A 34 1.723 -2.363 34.214 1.00 0.00 O ATOM 562 CB ALA A 34 3.749 -2.304 31.817 1.00 0.00 C ATOM 0 H ALA A 34 2.662 -0.632 30.399 1.00 0.00 H new ATOM 0 HA ALA A 34 1.738 -2.986 31.692 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.026 -3.054 32.558 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.005 -2.666 30.821 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.290 -1.379 32.017 1.00 0.00 H new ATOM 568 N LYS A 35 1.531 -0.274 33.368 1.00 0.00 N ATOM 569 CA LYS A 35 1.101 0.315 34.625 1.00 0.00 C ATOM 570 C LYS A 35 -0.415 0.522 34.594 1.00 0.00 C ATOM 571 O LYS A 35 -0.996 1.022 35.556 1.00 0.00 O ATOM 572 CB LYS A 35 1.890 1.593 34.915 1.00 0.00 C ATOM 573 CG LYS A 35 2.031 1.820 36.422 1.00 0.00 C ATOM 574 CD LYS A 35 3.286 2.637 36.738 1.00 0.00 C ATOM 575 CE LYS A 35 4.553 1.849 36.398 1.00 0.00 C ATOM 576 NZ LYS A 35 5.339 1.579 37.622 1.00 0.00 N ATOM 0 H LYS A 35 1.599 0.383 32.590 1.00 0.00 H new ATOM 0 HA LYS A 35 1.314 -0.359 35.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.878 1.526 34.460 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.387 2.446 34.460 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.150 2.339 36.799 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.079 0.860 36.935 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.270 3.569 36.172 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.293 2.906 37.794 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.285 0.909 35.916 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.158 2.411 35.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.195 1.044 37.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.610 2.479 38.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.765 1.024 38.288 1.00 0.00 H new ATOM 590 N HIS A 36 -1.011 0.128 33.478 1.00 0.00 N ATOM 591 CA HIS A 36 -2.448 0.264 33.309 1.00 0.00 C ATOM 592 C HIS A 36 -3.090 -1.123 33.235 1.00 0.00 C ATOM 593 O HIS A 36 -4.075 -1.392 33.919 1.00 0.00 O ATOM 594 CB HIS A 36 -2.772 1.134 32.093 1.00 0.00 C ATOM 595 CG HIS A 36 -2.784 2.616 32.383 1.00 0.00 C ATOM 596 ND1 HIS A 36 -1.858 3.413 32.990 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 -3.842 3.439 32.037 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 -2.325 4.655 33.012 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 -3.554 4.673 32.423 1.00 0.00 N flip ATOM 0 H HIS A 36 -0.525 -0.285 32.682 1.00 0.00 H new ATOM 0 HA HIS A 36 -2.873 0.776 34.172 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.040 0.933 31.310 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.746 0.843 31.700 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -0.960 3.106 33.363 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.748 3.128 31.538 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.815 5.511 33.428 1.00 0.00 H new ATOM 607 N LEU A 37 -2.505 -1.966 32.397 1.00 0.00 N ATOM 608 CA LEU A 37 -3.007 -3.318 32.223 1.00 0.00 C ATOM 609 C LEU A 37 -2.150 -4.285 33.043 1.00 0.00 C ATOM 610 O LEU A 37 -1.099 -4.731 32.585 1.00 0.00 O ATOM 611 CB LEU A 37 -3.085 -3.674 30.737 1.00 0.00 C ATOM 612 CG LEU A 37 -3.273 -2.500 29.775 1.00 0.00 C ATOM 613 CD1 LEU A 37 -3.881 -2.968 28.451 1.00 0.00 C ATOM 614 CD2 LEU A 37 -4.099 -1.387 30.423 1.00 0.00 C ATOM 0 H LEU A 37 -1.688 -1.739 31.831 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.027 -3.397 32.600 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.171 -4.201 30.462 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.911 -4.371 30.594 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.292 -2.083 29.549 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.004 -2.114 27.785 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.220 -3.699 27.985 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.853 -3.425 28.638 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.218 -0.564 29.718 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.080 -1.775 30.697 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.588 -1.028 31.317 1.00 0.00 H new ATOM 626 N LYS A 38 -2.631 -4.580 34.242 1.00 0.00 N ATOM 627 CA LYS A 38 -1.922 -5.486 35.130 1.00 0.00 C ATOM 628 C LYS A 38 -2.069 -6.919 34.613 1.00 0.00 C ATOM 629 O LYS A 38 -2.566 -7.136 33.510 1.00 0.00 O ATOM 630 CB LYS A 38 -2.396 -5.302 36.573 1.00 0.00 C ATOM 631 CG LYS A 38 -1.658 -4.145 37.249 1.00 0.00 C ATOM 632 CD LYS A 38 -1.916 -2.827 36.517 1.00 0.00 C ATOM 633 CE LYS A 38 -1.864 -1.643 37.485 1.00 0.00 C ATOM 634 NZ LYS A 38 -3.227 -1.132 37.751 1.00 0.00 N ATOM 0 H LYS A 38 -3.503 -4.208 34.619 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.856 -5.256 35.137 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.469 -5.110 36.585 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.230 -6.222 37.134 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.982 -4.059 38.286 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.588 -4.352 37.266 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.173 -2.692 35.731 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.891 -2.862 36.031 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.395 -1.950 38.420 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.247 -0.849 37.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.174 -0.329 38.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.661 -0.820 36.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.805 -1.887 38.172 1.00 0.00 H new ATOM 648 N GLY A 39 -1.626 -7.859 35.435 1.00 0.00 N ATOM 649 CA GLY A 39 -1.701 -9.264 35.075 1.00 0.00 C ATOM 650 C GLY A 39 -1.004 -9.525 33.738 1.00 0.00 C ATOM 651 O GLY A 39 -1.247 -10.547 33.097 1.00 0.00 O ATOM 0 H GLY A 39 -1.214 -7.675 36.350 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.238 -9.868 35.855 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.745 -9.572 35.011 1.00 0.00 H new ATOM 655 N ARG A 40 -0.153 -8.584 33.357 1.00 0.00 N ATOM 656 CA ARG A 40 0.580 -8.700 32.108 1.00 0.00 C ATOM 657 C ARG A 40 1.815 -7.797 32.132 1.00 0.00 C ATOM 658 O ARG A 40 1.789 -6.720 32.724 1.00 0.00 O ATOM 659 CB ARG A 40 -0.299 -8.318 30.915 1.00 0.00 C ATOM 660 CG ARG A 40 0.522 -8.255 29.626 1.00 0.00 C ATOM 661 CD ARG A 40 -0.266 -8.823 28.445 1.00 0.00 C ATOM 662 NE ARG A 40 -0.275 -7.852 27.328 1.00 0.00 N ATOM 663 CZ ARG A 40 -0.836 -8.086 26.134 1.00 0.00 C ATOM 664 NH1 ARG A 40 -1.437 -9.259 25.894 1.00 0.00 N ATOM 665 NH2 ARG A 40 -0.796 -7.147 25.179 1.00 0.00 N ATOM 0 H ARG A 40 0.045 -7.738 33.891 1.00 0.00 H new ATOM 0 HA ARG A 40 0.887 -9.740 32.000 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.103 -9.046 30.803 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.768 -7.351 31.099 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.801 -7.222 29.418 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.448 -8.816 29.753 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.180 -9.762 28.118 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.288 -9.046 28.752 1.00 0.00 H new ATOM 0 HE ARG A 40 0.174 -6.948 27.476 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.468 -9.974 26.620 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.864 -9.437 24.985 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.338 -6.254 25.361 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.223 -7.325 24.270 1.00 0.00 H new ATOM 679 N LEU A 41 2.867 -8.271 31.480 1.00 0.00 N ATOM 680 CA LEU A 41 4.110 -7.520 31.419 1.00 0.00 C ATOM 681 C LEU A 41 3.924 -6.308 30.504 1.00 0.00 C ATOM 682 O LEU A 41 2.842 -6.098 29.958 1.00 0.00 O ATOM 683 CB LEU A 41 5.267 -8.431 31.006 1.00 0.00 C ATOM 684 CG LEU A 41 6.039 -9.095 32.147 1.00 0.00 C ATOM 685 CD1 LEU A 41 6.942 -8.086 32.859 1.00 0.00 C ATOM 686 CD2 LEU A 41 5.086 -9.797 33.118 1.00 0.00 C ATOM 0 H LEU A 41 2.884 -9.165 30.990 1.00 0.00 H new ATOM 0 HA LEU A 41 4.373 -7.138 32.405 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.873 -9.213 30.357 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.969 -7.846 30.411 1.00 0.00 H new ATOM 0 HG LEU A 41 6.687 -9.861 31.721 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.479 -8.584 33.666 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.657 -7.673 32.148 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.334 -7.281 33.271 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.660 -10.261 33.920 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.395 -9.068 33.541 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.523 -10.563 32.585 1.00 0.00 H new ATOM 698 N GLY A 42 4.996 -5.542 30.365 1.00 0.00 N ATOM 699 CA GLY A 42 4.964 -4.357 29.525 1.00 0.00 C ATOM 700 C GLY A 42 6.098 -4.382 28.497 1.00 0.00 C ATOM 701 O GLY A 42 6.221 -3.471 27.681 1.00 0.00 O ATOM 0 H GLY A 42 5.892 -5.719 30.820 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.004 -4.297 29.012 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.050 -3.465 30.145 1.00 0.00 H new ATOM 705 N LYS A 43 6.896 -5.437 28.571 1.00 0.00 N ATOM 706 CA LYS A 43 8.015 -5.594 27.657 1.00 0.00 C ATOM 707 C LYS A 43 7.488 -5.682 26.223 1.00 0.00 C ATOM 708 O LYS A 43 7.677 -4.760 25.431 1.00 0.00 O ATOM 709 CB LYS A 43 8.880 -6.787 28.069 1.00 0.00 C ATOM 710 CG LYS A 43 10.368 -6.435 27.999 1.00 0.00 C ATOM 711 CD LYS A 43 11.144 -7.111 29.130 1.00 0.00 C ATOM 712 CE LYS A 43 12.564 -6.550 29.232 1.00 0.00 C ATOM 713 NZ LYS A 43 13.544 -7.646 29.403 1.00 0.00 N ATOM 0 H LYS A 43 6.790 -6.191 29.249 1.00 0.00 H new ATOM 0 HA LYS A 43 8.670 -4.724 27.703 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.623 -7.095 29.082 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.672 -7.635 27.416 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.774 -6.747 27.037 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.493 -5.354 28.062 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.621 -6.961 30.075 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.185 -8.186 28.956 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.801 -5.979 28.334 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.629 -5.861 30.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.502 -7.247 29.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.326 -8.174 30.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.493 -8.288 28.586 1.00 0.00 H new ATOM 727 N GLN A 44 6.838 -6.800 25.933 1.00 0.00 N ATOM 728 CA GLN A 44 6.283 -7.020 24.609 1.00 0.00 C ATOM 729 C GLN A 44 4.873 -6.433 24.519 1.00 0.00 C ATOM 730 O GLN A 44 3.933 -7.123 24.130 1.00 0.00 O ATOM 731 CB GLN A 44 6.280 -8.509 24.256 1.00 0.00 C ATOM 732 CG GLN A 44 6.796 -8.738 22.835 1.00 0.00 C ATOM 733 CD GLN A 44 5.992 -9.830 22.128 1.00 0.00 C ATOM 734 OE1 GLN A 44 4.775 -9.889 22.203 1.00 0.00 O ATOM 735 NE2 GLN A 44 6.736 -10.690 21.438 1.00 0.00 N ATOM 0 H GLN A 44 6.684 -7.563 26.593 1.00 0.00 H new ATOM 0 HA GLN A 44 6.915 -6.509 23.883 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.902 -9.055 24.965 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.269 -8.906 24.348 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.732 -7.810 22.267 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.848 -9.020 22.868 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.750 -10.584 21.416 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.292 -11.455 20.931 1.00 0.00 H new ATOM 744 N CYS A 45 4.771 -5.164 24.887 1.00 0.00 N ATOM 745 CA CYS A 45 3.492 -4.475 24.854 1.00 0.00 C ATOM 746 C CYS A 45 3.332 -3.826 23.478 1.00 0.00 C ATOM 747 O CYS A 45 2.257 -3.333 23.141 1.00 0.00 O ATOM 748 CB CYS A 45 3.370 -3.453 25.985 1.00 0.00 C ATOM 749 SG CYS A 45 2.153 -4.032 27.223 1.00 0.00 S ATOM 0 H CYS A 45 5.554 -4.595 25.210 1.00 0.00 H new ATOM 0 HA CYS A 45 2.686 -5.191 25.013 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.340 -3.305 26.459 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.061 -2.488 25.583 1.00 0.00 H new ATOM 0 HG CYS A 45 0.958 -3.977 26.715 1.00 0.00 H new ATOM 755 N ARG A 46 4.419 -3.845 22.719 1.00 0.00 N ATOM 756 CA ARG A 46 4.413 -3.264 21.388 1.00 0.00 C ATOM 757 C ARG A 46 4.597 -4.356 20.331 1.00 0.00 C ATOM 758 O ARG A 46 4.435 -5.540 20.622 1.00 0.00 O ATOM 759 CB ARG A 46 5.524 -2.224 21.235 1.00 0.00 C ATOM 760 CG ARG A 46 6.904 -2.874 21.356 1.00 0.00 C ATOM 761 CD ARG A 46 7.718 -2.674 20.076 1.00 0.00 C ATOM 762 NE ARG A 46 8.334 -3.954 19.663 1.00 0.00 N ATOM 763 CZ ARG A 46 9.409 -4.496 20.251 1.00 0.00 C ATOM 764 NH1 ARG A 46 9.994 -3.871 21.283 1.00 0.00 N ATOM 765 NH2 ARG A 46 9.900 -5.661 19.809 1.00 0.00 N ATOM 0 H ARG A 46 5.310 -4.254 23.002 1.00 0.00 H new ATOM 0 HA ARG A 46 3.450 -2.773 21.245 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.434 -1.730 20.267 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.413 -1.453 21.998 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.439 -2.444 22.203 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.792 -3.939 21.557 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.074 -2.297 19.281 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.492 -1.925 20.241 1.00 0.00 H new ATOM 0 HE ARG A 46 7.914 -4.456 18.881 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.621 -2.984 21.620 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.812 -4.283 21.731 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.456 -6.137 19.024 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.718 -6.073 20.258 1.00 0.00 H new ATOM 779 N GLU A 47 4.933 -3.918 19.127 1.00 0.00 N ATOM 780 CA GLU A 47 5.141 -4.843 18.026 1.00 0.00 C ATOM 781 C GLU A 47 3.805 -5.197 17.370 1.00 0.00 C ATOM 782 O GLU A 47 3.482 -6.373 17.206 1.00 0.00 O ATOM 783 CB GLU A 47 5.871 -6.102 18.498 1.00 0.00 C ATOM 784 CG GLU A 47 6.616 -6.770 17.341 1.00 0.00 C ATOM 785 CD GLU A 47 6.521 -8.295 17.435 1.00 0.00 C ATOM 786 OE1 GLU A 47 7.069 -8.838 18.419 1.00 0.00 O ATOM 787 OE2 GLU A 47 5.904 -8.882 16.521 1.00 0.00 O ATOM 0 H GLU A 47 5.066 -2.935 18.890 1.00 0.00 H new ATOM 0 HA GLU A 47 5.771 -4.355 17.282 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.576 -5.843 19.288 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.155 -6.803 18.927 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.198 -6.434 16.392 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.663 -6.466 17.354 1.00 0.00 H new ATOM 794 N ARG A 48 3.063 -4.159 17.014 1.00 0.00 N ATOM 795 CA ARG A 48 1.769 -4.345 16.380 1.00 0.00 C ATOM 796 C ARG A 48 1.341 -3.065 15.660 1.00 0.00 C ATOM 797 O ARG A 48 1.340 -3.010 14.432 1.00 0.00 O ATOM 798 CB ARG A 48 0.702 -4.725 17.408 1.00 0.00 C ATOM 799 CG ARG A 48 -0.359 -5.636 16.787 1.00 0.00 C ATOM 800 CD ARG A 48 -1.386 -4.821 15.998 1.00 0.00 C ATOM 801 NE ARG A 48 -2.175 -5.715 15.121 1.00 0.00 N ATOM 802 CZ ARG A 48 -2.995 -5.285 14.152 1.00 0.00 C ATOM 803 NH1 ARG A 48 -3.138 -3.971 13.930 1.00 0.00 N ATOM 804 NH2 ARG A 48 -3.672 -6.168 13.406 1.00 0.00 N ATOM 0 H ARG A 48 3.334 -3.185 17.153 1.00 0.00 H new ATOM 0 HA ARG A 48 1.867 -5.156 15.658 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.170 -5.230 18.253 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.229 -3.823 17.797 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.119 -6.361 16.128 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.863 -6.201 17.571 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.049 -4.293 16.684 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.879 -4.064 15.399 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.089 -6.721 15.263 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.623 -3.299 14.498 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.762 -3.643 13.193 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.564 -7.168 13.575 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.296 -5.840 12.669 1.00 0.00 H new ATOM 818 N TRP A 49 0.987 -2.067 16.457 1.00 0.00 N ATOM 819 CA TRP A 49 0.558 -0.790 15.911 1.00 0.00 C ATOM 820 C TRP A 49 1.793 0.100 15.763 1.00 0.00 C ATOM 821 O TRP A 49 1.738 1.140 15.108 1.00 0.00 O ATOM 822 CB TRP A 49 -0.532 -0.161 16.780 1.00 0.00 C ATOM 823 CG TRP A 49 -0.034 0.338 18.139 1.00 0.00 C ATOM 824 CD1 TRP A 49 1.086 -0.013 18.786 1.00 0.00 C ATOM 825 CD2 TRP A 49 -0.688 1.297 18.995 1.00 0.00 C ATOM 826 NE1 TRP A 49 1.201 0.648 19.992 1.00 0.00 N ATOM 827 CE2 TRP A 49 0.087 1.470 20.124 1.00 0.00 C ATOM 828 CE3 TRP A 49 -1.896 1.996 18.823 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -0.259 2.337 21.166 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -2.228 2.859 19.874 1.00 0.00 C ATOM 831 CH2 TRP A 49 -1.458 3.044 21.016 1.00 0.00 C ATOM 0 H TRP A 49 0.988 -2.117 17.476 1.00 0.00 H new ATOM 0 HA TRP A 49 0.106 -0.923 14.928 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -0.977 0.674 16.239 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -1.322 -0.894 16.941 1.00 0.00 H new ATOM 0 HD1 TRP A 49 1.808 -0.724 18.411 1.00 0.00 H new ATOM 0 HE1 TRP A 49 1.963 0.551 20.663 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.519 1.876 17.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.365 2.455 22.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -3.147 3.420 19.792 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -1.783 3.730 21.784 1.00 0.00 H new ATOM 842 N HIS A 50 2.879 -0.341 16.381 1.00 0.00 N ATOM 843 CA HIS A 50 4.126 0.403 16.327 1.00 0.00 C ATOM 844 C HIS A 50 4.939 -0.047 15.112 1.00 0.00 C ATOM 845 O HIS A 50 5.520 0.778 14.408 1.00 0.00 O ATOM 846 CB HIS A 50 4.897 0.268 17.641 1.00 0.00 C ATOM 847 CG HIS A 50 5.713 1.486 18.002 1.00 0.00 C ATOM 848 ND1 HIS A 50 6.069 2.451 17.077 1.00 0.00 N ATOM 849 CD2 HIS A 50 6.238 1.885 19.196 1.00 0.00 C ATOM 850 CE1 HIS A 50 6.777 3.384 17.697 1.00 0.00 C ATOM 851 NE2 HIS A 50 6.881 3.031 19.010 1.00 0.00 N ATOM 0 H HIS A 50 2.921 -1.205 16.922 1.00 0.00 H new ATOM 0 HA HIS A 50 3.915 1.466 16.206 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.190 0.065 18.446 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.560 -0.594 17.574 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.146 1.358 20.134 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.198 4.269 17.242 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.372 3.560 19.730 1.00 0.00 H new ATOM 859 N ASN A 51 4.955 -1.356 14.903 1.00 0.00 N ATOM 860 CA ASN A 51 5.688 -1.926 13.786 1.00 0.00 C ATOM 861 C ASN A 51 4.696 -2.445 12.743 1.00 0.00 C ATOM 862 O ASN A 51 4.652 -3.642 12.464 1.00 0.00 O ATOM 863 CB ASN A 51 6.556 -3.102 14.239 1.00 0.00 C ATOM 864 CG ASN A 51 7.555 -2.665 15.312 1.00 0.00 C ATOM 865 OD1 ASN A 51 6.989 -2.287 16.455 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 8.759 -2.670 15.116 1.00 0.00 N flip ATOM 0 H ASN A 51 4.472 -2.037 15.489 1.00 0.00 H new ATOM 0 HA ASN A 51 6.326 -1.147 13.368 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.922 -3.897 14.630 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.092 -3.513 13.384 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.128 -2.972 14.214 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.397 -2.372 15.854 1.00 0.00 H new ATOM 1023 N SER A 61 11.884 3.551 -10.353 1.00 0.00 N ATOM 1024 CA SER A 61 12.824 2.475 -10.085 1.00 0.00 C ATOM 1025 C SER A 61 12.093 1.131 -10.080 1.00 0.00 C ATOM 1026 O SER A 61 11.009 1.008 -10.648 1.00 0.00 O ATOM 1027 CB SER A 61 13.544 2.692 -8.753 1.00 0.00 C ATOM 1028 OG SER A 61 13.810 4.071 -8.508 1.00 0.00 O ATOM 0 HA SER A 61 13.574 2.471 -10.876 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.936 2.291 -7.943 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.482 2.136 -8.753 1.00 0.00 H new ATOM 0 HG SER A 61 13.155 4.621 -8.987 1.00 0.00 H new ATOM 1034 N TRP A 62 12.715 0.157 -9.432 1.00 0.00 N ATOM 1035 CA TRP A 62 12.138 -1.173 -9.345 1.00 0.00 C ATOM 1036 C TRP A 62 10.825 -1.069 -8.565 1.00 0.00 C ATOM 1037 O TRP A 62 10.469 0.005 -8.084 1.00 0.00 O ATOM 1038 CB TRP A 62 13.126 -2.161 -8.723 1.00 0.00 C ATOM 1039 CG TRP A 62 14.473 -2.232 -9.445 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.593 -1.549 -9.172 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.798 -3.064 -10.579 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.612 -1.878 -10.043 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.113 -2.829 -10.925 1.00 0.00 C ATOM 1044 CE3 TRP A 62 14.007 -3.986 -11.287 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.752 -3.476 -11.989 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.661 -4.624 -12.348 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.984 -4.398 -12.710 1.00 0.00 C ATOM 0 H TRP A 62 13.614 0.263 -8.962 1.00 0.00 H new ATOM 0 HA TRP A 62 11.923 -1.565 -10.339 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.297 -1.882 -7.683 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.676 -3.154 -8.717 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.687 -0.831 -8.371 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.557 -1.494 -10.040 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.977 -4.186 -11.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.783 -3.275 -12.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.098 -5.342 -12.926 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.417 -4.931 -13.543 1.00 0.00 H new ATOM 1058 N THR A 63 10.143 -2.200 -8.465 1.00 0.00 N ATOM 1059 CA THR A 63 8.878 -2.250 -7.751 1.00 0.00 C ATOM 1060 C THR A 63 8.889 -3.383 -6.724 1.00 0.00 C ATOM 1061 O THR A 63 9.943 -3.938 -6.417 1.00 0.00 O ATOM 1062 CB THR A 63 7.757 -2.377 -8.785 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.332 -3.161 -9.826 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.429 -1.044 -9.460 1.00 0.00 C ATOM 0 H THR A 63 10.442 -3.089 -8.866 1.00 0.00 H new ATOM 0 HA THR A 63 8.710 -1.338 -7.179 1.00 0.00 H new ATOM 0 HB THR A 63 6.862 -2.769 -8.303 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.047 -2.810 -10.695 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.628 -1.190 -10.184 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.110 -0.323 -8.707 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.315 -0.667 -9.971 1.00 0.00 H new ATOM 1072 N GLU A 64 7.703 -3.694 -6.221 1.00 0.00 N ATOM 1073 CA GLU A 64 7.563 -4.752 -5.234 1.00 0.00 C ATOM 1074 C GLU A 64 7.701 -6.122 -5.902 1.00 0.00 C ATOM 1075 O GLU A 64 8.744 -6.765 -5.797 1.00 0.00 O ATOM 1076 CB GLU A 64 6.231 -4.636 -4.491 1.00 0.00 C ATOM 1077 CG GLU A 64 6.360 -3.717 -3.275 1.00 0.00 C ATOM 1078 CD GLU A 64 6.635 -4.524 -2.004 1.00 0.00 C ATOM 1079 OE1 GLU A 64 7.549 -5.376 -2.060 1.00 0.00 O ATOM 1080 OE2 GLU A 64 5.926 -4.272 -1.007 1.00 0.00 O ATOM 0 H GLU A 64 6.831 -3.232 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 64 8.361 -4.645 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.467 -4.248 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.902 -5.625 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.167 -3.003 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.444 -3.140 -3.152 1.00 0.00 H new ATOM 1087 N GLU A 65 6.633 -6.527 -6.574 1.00 0.00 N ATOM 1088 CA GLU A 65 6.622 -7.809 -7.258 1.00 0.00 C ATOM 1089 C GLU A 65 7.927 -8.010 -8.031 1.00 0.00 C ATOM 1090 O GLU A 65 8.452 -9.120 -8.092 1.00 0.00 O ATOM 1091 CB GLU A 65 5.412 -7.924 -8.187 1.00 0.00 C ATOM 1092 CG GLU A 65 4.104 -7.846 -7.396 1.00 0.00 C ATOM 1093 CD GLU A 65 3.051 -8.787 -7.985 1.00 0.00 C ATOM 1094 OE1 GLU A 65 3.103 -9.986 -7.638 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.216 -8.284 -8.769 1.00 0.00 O ATOM 0 H GLU A 65 5.770 -5.990 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 65 6.541 -8.597 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.441 -7.125 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.456 -8.867 -8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.289 -8.107 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.729 -6.823 -7.406 1.00 0.00 H new ATOM 1102 N GLU A 66 8.414 -6.917 -8.602 1.00 0.00 N ATOM 1103 CA GLU A 66 9.647 -6.959 -9.368 1.00 0.00 C ATOM 1104 C GLU A 66 10.811 -7.400 -8.477 1.00 0.00 C ATOM 1105 O GLU A 66 11.718 -8.093 -8.933 1.00 0.00 O ATOM 1106 CB GLU A 66 9.936 -5.604 -10.017 1.00 0.00 C ATOM 1107 CG GLU A 66 9.131 -5.431 -11.306 1.00 0.00 C ATOM 1108 CD GLU A 66 9.911 -4.608 -12.334 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.843 -3.895 -11.901 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.558 -4.709 -13.528 1.00 0.00 O ATOM 0 H GLU A 66 7.976 -5.997 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 66 9.530 -7.690 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.690 -4.803 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.001 -5.521 -10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.892 -6.409 -11.724 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.184 -4.939 -11.084 1.00 0.00 H new ATOM 1117 N ASP A 67 10.746 -6.978 -7.223 1.00 0.00 N ATOM 1118 CA ASP A 67 11.783 -7.321 -6.264 1.00 0.00 C ATOM 1119 C ASP A 67 11.696 -8.813 -5.936 1.00 0.00 C ATOM 1120 O ASP A 67 12.680 -9.539 -6.069 1.00 0.00 O ATOM 1121 CB ASP A 67 11.607 -6.539 -4.960 1.00 0.00 C ATOM 1122 CG ASP A 67 12.907 -6.211 -4.223 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.372 -7.094 -3.471 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.406 -5.083 -4.428 1.00 0.00 O ATOM 0 H ASP A 67 9.992 -6.402 -6.849 1.00 0.00 H new ATOM 0 HA ASP A 67 12.747 -7.072 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.087 -5.607 -5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.964 -7.113 -4.293 1.00 0.00 H new ATOM 1129 N ARG A 68 10.510 -9.225 -5.515 1.00 0.00 N ATOM 1130 CA ARG A 68 10.282 -10.617 -5.167 1.00 0.00 C ATOM 1131 C ARG A 68 10.673 -11.527 -6.334 1.00 0.00 C ATOM 1132 O ARG A 68 11.503 -12.420 -6.178 1.00 0.00 O ATOM 1133 CB ARG A 68 8.815 -10.863 -4.809 1.00 0.00 C ATOM 1134 CG ARG A 68 8.572 -10.645 -3.314 1.00 0.00 C ATOM 1135 CD ARG A 68 7.997 -11.904 -2.662 1.00 0.00 C ATOM 1136 NE ARG A 68 8.943 -13.031 -2.818 1.00 0.00 N ATOM 1137 CZ ARG A 68 8.722 -14.268 -2.351 1.00 0.00 C ATOM 1138 NH1 ARG A 68 7.586 -14.543 -1.696 1.00 0.00 N ATOM 1139 NH2 ARG A 68 9.637 -15.229 -2.539 1.00 0.00 N ATOM 0 H ARG A 68 9.696 -8.619 -5.407 1.00 0.00 H new ATOM 0 HA ARG A 68 10.900 -10.846 -4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.179 -10.192 -5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.536 -11.881 -5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.508 -10.374 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.885 -9.811 -3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.807 -11.722 -1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.040 -12.156 -3.119 1.00 0.00 H new ATOM 0 HE ARG A 68 9.818 -12.856 -3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.890 -13.811 -1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.417 -15.484 -1.340 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.502 -15.019 -3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.469 -16.170 -2.184 1.00 0.00 H new ATOM 1153 N ILE A 69 10.056 -11.267 -7.478 1.00 0.00 N ATOM 1154 CA ILE A 69 10.329 -12.051 -8.670 1.00 0.00 C ATOM 1155 C ILE A 69 11.834 -12.309 -8.772 1.00 0.00 C ATOM 1156 O ILE A 69 12.291 -13.431 -8.560 1.00 0.00 O ATOM 1157 CB ILE A 69 9.737 -11.371 -9.906 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.208 -11.424 -9.882 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.311 -11.971 -11.191 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.613 -10.640 -11.053 1.00 0.00 C ATOM 0 H ILE A 69 9.368 -10.524 -7.604 1.00 0.00 H new ATOM 0 HA ILE A 69 9.842 -13.024 -8.606 1.00 0.00 H new ATOM 0 HB ILE A 69 10.023 -10.319 -9.886 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.876 -12.461 -9.928 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.841 -11.013 -8.941 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.873 -11.469 -12.054 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.393 -11.837 -11.204 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.077 -13.035 -11.232 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.525 -10.694 -11.012 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.927 -9.598 -10.990 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.962 -11.068 -11.993 1.00 0.00 H new ATOM 1172 N ILE A 70 12.563 -11.251 -9.096 1.00 0.00 N ATOM 1173 CA ILE A 70 14.006 -11.348 -9.229 1.00 0.00 C ATOM 1174 C ILE A 70 14.571 -12.129 -8.040 1.00 0.00 C ATOM 1175 O ILE A 70 15.326 -13.083 -8.222 1.00 0.00 O ATOM 1176 CB ILE A 70 14.624 -9.959 -9.401 1.00 0.00 C ATOM 1177 CG1 ILE A 70 14.027 -9.240 -10.613 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.150 -10.043 -9.479 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.742 -7.912 -10.870 1.00 0.00 C ATOM 0 H ILE A 70 12.180 -10.322 -9.270 1.00 0.00 H new ATOM 0 HA ILE A 70 14.269 -11.902 -10.130 1.00 0.00 H new ATOM 0 HB ILE A 70 14.379 -9.365 -8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 70 14.107 -9.877 -11.494 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.965 -9.059 -10.446 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.564 -9.042 -9.601 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.537 -10.486 -8.562 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.437 -10.661 -10.330 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.298 -7.422 -11.736 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.639 -7.268 -9.996 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.799 -8.099 -11.060 1.00 0.00 H new ATOM 1191 N PHE A 71 14.184 -11.695 -6.850 1.00 0.00 N ATOM 1192 CA PHE A 71 14.643 -12.342 -5.632 1.00 0.00 C ATOM 1193 C PHE A 71 14.335 -13.840 -5.658 1.00 0.00 C ATOM 1194 O PHE A 71 14.880 -14.603 -4.861 1.00 0.00 O ATOM 1195 CB PHE A 71 13.884 -11.697 -4.470 1.00 0.00 C ATOM 1196 CG PHE A 71 13.800 -12.573 -3.219 1.00 0.00 C ATOM 1197 CD1 PHE A 71 12.956 -13.639 -3.191 1.00 0.00 C ATOM 1198 CD2 PHE A 71 14.571 -12.287 -2.136 1.00 0.00 C ATOM 1199 CE1 PHE A 71 12.878 -14.453 -2.029 1.00 0.00 C ATOM 1200 CE2 PHE A 71 14.493 -13.100 -0.974 1.00 0.00 C ATOM 1201 CZ PHE A 71 13.648 -14.166 -0.946 1.00 0.00 C ATOM 0 H PHE A 71 13.558 -10.903 -6.703 1.00 0.00 H new ATOM 0 HA PHE A 71 15.722 -12.222 -5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.369 -10.756 -4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.874 -11.454 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.345 -13.867 -4.052 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.243 -11.442 -2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.207 -15.299 -2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.104 -12.872 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.589 -14.785 -0.063 1.00 0.00 H new ATOM 1211 N GLU A 72 13.462 -14.217 -6.581 1.00 0.00 N ATOM 1212 CA GLU A 72 13.076 -15.611 -6.721 1.00 0.00 C ATOM 1213 C GLU A 72 13.710 -16.214 -7.975 1.00 0.00 C ATOM 1214 O GLU A 72 14.327 -17.277 -7.914 1.00 0.00 O ATOM 1215 CB GLU A 72 11.553 -15.757 -6.751 1.00 0.00 C ATOM 1216 CG GLU A 72 11.120 -16.761 -7.822 1.00 0.00 C ATOM 1217 CD GLU A 72 9.676 -17.214 -7.596 1.00 0.00 C ATOM 1218 OE1 GLU A 72 9.453 -17.917 -6.587 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.828 -16.847 -8.438 1.00 0.00 O ATOM 0 H GLU A 72 13.011 -13.581 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 72 13.444 -16.159 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.196 -16.085 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.095 -14.788 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.213 -16.308 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.783 -17.626 -7.805 1.00 0.00 H new ATOM 1226 N ALA A 73 13.536 -15.511 -9.084 1.00 0.00 N ATOM 1227 CA ALA A 73 14.084 -15.964 -10.352 1.00 0.00 C ATOM 1228 C ALA A 73 15.556 -16.338 -10.162 1.00 0.00 C ATOM 1229 O ALA A 73 16.028 -17.322 -10.728 1.00 0.00 O ATOM 1230 CB ALA A 73 13.891 -14.876 -11.410 1.00 0.00 C ATOM 0 H ALA A 73 13.023 -14.631 -9.131 1.00 0.00 H new ATOM 0 HA ALA A 73 13.560 -16.854 -10.700 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.302 -15.216 -12.361 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.828 -14.668 -11.528 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.406 -13.968 -11.096 1.00 0.00 H new ATOM 1236 N HIS A 74 16.239 -15.533 -9.362 1.00 0.00 N ATOM 1237 CA HIS A 74 17.647 -15.767 -9.090 1.00 0.00 C ATOM 1238 C HIS A 74 17.818 -17.118 -8.392 1.00 0.00 C ATOM 1239 O HIS A 74 18.927 -17.641 -8.308 1.00 0.00 O ATOM 1240 CB HIS A 74 18.247 -14.608 -8.292 1.00 0.00 C ATOM 1241 CG HIS A 74 19.737 -14.445 -8.470 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.653 -14.814 -7.500 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.461 -13.951 -9.515 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.870 -14.548 -7.952 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.749 -14.013 -9.200 1.00 0.00 N ATOM 0 H HIS A 74 15.844 -14.718 -8.893 1.00 0.00 H new ATOM 0 HA HIS A 74 18.199 -15.810 -10.029 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.753 -13.683 -8.588 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.032 -14.760 -7.234 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.055 -13.573 -10.442 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.796 -14.724 -7.424 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.521 -13.710 -9.794 1.00 0.00 H new ATOM 1253 N LYS A 75 16.701 -17.644 -7.911 1.00 0.00 N ATOM 1254 CA LYS A 75 16.712 -18.924 -7.223 1.00 0.00 C ATOM 1255 C LYS A 75 16.096 -19.991 -8.130 1.00 0.00 C ATOM 1256 O LYS A 75 15.569 -20.992 -7.647 1.00 0.00 O ATOM 1257 CB LYS A 75 16.028 -18.806 -5.860 1.00 0.00 C ATOM 1258 CG LYS A 75 14.598 -19.347 -5.915 1.00 0.00 C ATOM 1259 CD LYS A 75 13.717 -18.676 -4.860 1.00 0.00 C ATOM 1260 CE LYS A 75 12.944 -19.717 -4.048 1.00 0.00 C ATOM 1261 NZ LYS A 75 13.804 -20.294 -2.991 1.00 0.00 N ATOM 0 H LYS A 75 15.782 -17.207 -7.984 1.00 0.00 H new ATOM 0 HA LYS A 75 17.736 -19.235 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.600 -19.356 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.014 -17.762 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.179 -19.176 -6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.607 -20.425 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.336 -18.076 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.017 -17.995 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.065 -19.256 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.587 -20.509 -4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.263 -20.999 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.630 -20.752 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.124 -19.538 -2.353 1.00 0.00 H new ATOM 1275 N VAL A 76 16.182 -19.740 -9.428 1.00 0.00 N ATOM 1276 CA VAL A 76 15.639 -20.666 -10.407 1.00 0.00 C ATOM 1277 C VAL A 76 16.630 -20.818 -11.564 1.00 0.00 C ATOM 1278 O VAL A 76 16.876 -21.928 -12.033 1.00 0.00 O ATOM 1279 CB VAL A 76 14.256 -20.196 -10.862 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.437 -21.361 -11.421 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.511 -19.500 -9.721 1.00 0.00 C ATOM 0 H VAL A 76 16.620 -18.908 -9.825 1.00 0.00 H new ATOM 0 HA VAL A 76 15.502 -21.653 -9.964 1.00 0.00 H new ATOM 0 HB VAL A 76 14.396 -19.470 -11.663 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.459 -20.999 -11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.957 -21.794 -12.275 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.311 -22.121 -10.649 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.531 -19.176 -10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.388 -20.194 -8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.083 -18.633 -9.388 1.00 0.00 H new ATOM 1291 N LEU A 77 17.171 -19.686 -11.989 1.00 0.00 N ATOM 1292 CA LEU A 77 18.129 -19.679 -13.082 1.00 0.00 C ATOM 1293 C LEU A 77 19.546 -19.595 -12.511 1.00 0.00 C ATOM 1294 O LEU A 77 20.279 -20.582 -12.514 1.00 0.00 O ATOM 1295 CB LEU A 77 17.799 -18.564 -14.076 1.00 0.00 C ATOM 1296 CG LEU A 77 16.311 -18.297 -14.315 1.00 0.00 C ATOM 1297 CD1 LEU A 77 15.977 -16.821 -14.092 1.00 0.00 C ATOM 1298 CD2 LEU A 77 15.884 -18.778 -15.703 1.00 0.00 C ATOM 0 H LEU A 77 16.965 -18.767 -11.597 1.00 0.00 H new ATOM 0 HA LEU A 77 18.068 -20.608 -13.649 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.261 -17.642 -13.724 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.262 -18.808 -15.032 1.00 0.00 H new ATOM 0 HG LEU A 77 15.739 -18.871 -13.586 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.914 -16.658 -14.268 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.222 -16.543 -13.067 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.557 -16.208 -14.782 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.823 -18.576 -15.847 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.460 -18.251 -16.464 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.065 -19.850 -15.788 1.00 0.00 H new ATOM 1310 N GLY A 78 19.889 -18.407 -12.036 1.00 0.00 N ATOM 1311 CA GLY A 78 21.205 -18.181 -11.464 1.00 0.00 C ATOM 1312 C GLY A 78 21.893 -16.986 -12.126 1.00 0.00 C ATOM 1313 O GLY A 78 22.471 -17.117 -13.204 1.00 0.00 O ATOM 0 H GLY A 78 19.278 -17.590 -12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.114 -18.005 -10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.818 -19.073 -11.590 1.00 0.00 H new ATOM 1317 N ASN A 79 21.809 -15.847 -11.453 1.00 0.00 N ATOM 1318 CA ASN A 79 22.417 -14.630 -11.963 1.00 0.00 C ATOM 1319 C ASN A 79 22.120 -14.505 -13.459 1.00 0.00 C ATOM 1320 O ASN A 79 22.843 -13.823 -14.184 1.00 0.00 O ATOM 1321 CB ASN A 79 23.936 -14.656 -11.783 1.00 0.00 C ATOM 1322 CG ASN A 79 24.420 -16.057 -11.407 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.651 -16.909 -12.250 1.00 0.00 O ATOM 1324 ND2 ASN A 79 24.560 -16.248 -10.099 1.00 0.00 N ATOM 0 H ASN A 79 21.329 -15.742 -10.559 1.00 0.00 H new ATOM 0 HA ASN A 79 22.003 -13.788 -11.409 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.420 -14.335 -12.705 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.226 -13.947 -11.008 1.00 0.00 H new ATOM 0 HD21 ASN A 79 24.878 -17.151 -9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 79 24.349 -15.492 -9.448 1.00 0.00 H new ATOM 1331 N ARG A 80 21.055 -15.174 -13.877 1.00 0.00 N ATOM 1332 CA ARG A 80 20.654 -15.146 -15.273 1.00 0.00 C ATOM 1333 C ARG A 80 19.922 -13.841 -15.589 1.00 0.00 C ATOM 1334 O ARG A 80 18.832 -13.858 -16.158 1.00 0.00 O ATOM 1335 CB ARG A 80 19.742 -16.328 -15.607 1.00 0.00 C ATOM 1336 CG ARG A 80 20.241 -17.072 -16.848 1.00 0.00 C ATOM 1337 CD ARG A 80 19.071 -17.631 -17.660 1.00 0.00 C ATOM 1338 NE ARG A 80 19.191 -19.102 -17.773 1.00 0.00 N ATOM 1339 CZ ARG A 80 20.002 -19.725 -18.639 1.00 0.00 C ATOM 1340 NH1 ARG A 80 20.769 -19.010 -19.472 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.045 -21.064 -18.671 1.00 0.00 N ATOM 0 H ARG A 80 20.458 -15.739 -13.273 1.00 0.00 H new ATOM 0 HA ARG A 80 21.557 -15.215 -15.879 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.703 -17.012 -14.760 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.726 -15.972 -15.776 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.829 -16.397 -17.469 1.00 0.00 H new ATOM 0 HG3 ARG A 80 20.901 -17.886 -16.548 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.127 -17.371 -17.181 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.059 -17.181 -18.653 1.00 0.00 H new ATOM 0 HE ARG A 80 18.621 -19.677 -17.153 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.736 -17.991 -19.447 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.386 -19.485 -20.131 1.00 0.00 H new ATOM 0 HH21 ARG A 80 19.461 -21.608 -18.036 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.662 -21.539 -19.330 1.00 0.00 H new ATOM 1355 N TRP A 81 20.550 -12.739 -15.205 1.00 0.00 N ATOM 1356 CA TRP A 81 19.972 -11.427 -15.440 1.00 0.00 C ATOM 1357 C TRP A 81 19.521 -11.364 -16.901 1.00 0.00 C ATOM 1358 O TRP A 81 18.484 -10.780 -17.210 1.00 0.00 O ATOM 1359 CB TRP A 81 20.959 -10.318 -15.071 1.00 0.00 C ATOM 1360 CG TRP A 81 21.895 -10.678 -13.915 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.227 -10.827 -13.948 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.514 -10.931 -12.546 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.730 -11.155 -12.706 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.655 -11.220 -11.826 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.248 -10.914 -11.937 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.644 -11.516 -10.458 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.253 -11.212 -10.569 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.393 -11.505 -9.829 1.00 0.00 C ATOM 0 H TRP A 81 21.454 -12.728 -14.732 1.00 0.00 H new ATOM 0 HA TRP A 81 19.104 -11.268 -14.800 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.559 -10.073 -15.948 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.399 -9.421 -14.806 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.830 -10.706 -14.835 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.710 -11.320 -12.476 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.343 -10.689 -12.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.551 -11.741 -9.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.305 -11.214 -10.052 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.314 -11.723 -8.774 1.00 0.00 H new ATOM 1379 N ALA A 82 20.324 -11.973 -17.761 1.00 0.00 N ATOM 1380 CA ALA A 82 20.021 -11.994 -19.182 1.00 0.00 C ATOM 1381 C ALA A 82 18.599 -12.520 -19.389 1.00 0.00 C ATOM 1382 O ALA A 82 17.977 -12.252 -20.415 1.00 0.00 O ATOM 1383 CB ALA A 82 21.067 -12.836 -19.915 1.00 0.00 C ATOM 0 H ALA A 82 21.184 -12.456 -17.501 1.00 0.00 H new ATOM 0 HA ALA A 82 20.063 -10.987 -19.598 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.840 -12.852 -20.981 1.00 0.00 H new ATOM 0 HB2 ALA A 82 22.055 -12.403 -19.761 1.00 0.00 H new ATOM 0 HB3 ALA A 82 21.052 -13.854 -19.526 1.00 0.00 H new ATOM 1389 N GLU A 83 18.127 -13.261 -18.397 1.00 0.00 N ATOM 1390 CA GLU A 83 16.791 -13.828 -18.457 1.00 0.00 C ATOM 1391 C GLU A 83 15.855 -13.084 -17.502 1.00 0.00 C ATOM 1392 O GLU A 83 14.696 -12.836 -17.830 1.00 0.00 O ATOM 1393 CB GLU A 83 16.816 -15.326 -18.144 1.00 0.00 C ATOM 1394 CG GLU A 83 16.279 -15.601 -16.738 1.00 0.00 C ATOM 1395 CD GLU A 83 14.757 -15.447 -16.692 1.00 0.00 C ATOM 1396 OE1 GLU A 83 14.107 -15.951 -17.633 1.00 0.00 O ATOM 1397 OE2 GLU A 83 14.278 -14.830 -15.716 1.00 0.00 O ATOM 0 H GLU A 83 18.646 -13.482 -17.547 1.00 0.00 H new ATOM 0 HA GLU A 83 16.412 -13.709 -19.472 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.217 -15.865 -18.878 1.00 0.00 H new ATOM 0 HB3 GLU A 83 17.836 -15.702 -18.228 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.555 -16.609 -16.430 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.739 -14.914 -16.028 1.00 0.00 H new ATOM 1404 N ILE A 84 16.394 -12.748 -16.339 1.00 0.00 N ATOM 1405 CA ILE A 84 15.622 -12.037 -15.334 1.00 0.00 C ATOM 1406 C ILE A 84 14.888 -10.867 -15.994 1.00 0.00 C ATOM 1407 O ILE A 84 13.685 -10.698 -15.804 1.00 0.00 O ATOM 1408 CB ILE A 84 16.517 -11.620 -14.166 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.228 -12.832 -13.561 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.723 -10.839 -13.117 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.330 -13.547 -12.549 1.00 0.00 C ATOM 0 H ILE A 84 17.356 -12.955 -16.070 1.00 0.00 H new ATOM 0 HA ILE A 84 14.862 -12.690 -14.906 1.00 0.00 H new ATOM 0 HB ILE A 84 17.288 -10.951 -14.549 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.512 -13.524 -14.354 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.148 -12.512 -13.073 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.384 -10.555 -12.298 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.303 -9.942 -13.572 1.00 0.00 H new ATOM 0 HG23 ILE A 84 14.916 -11.463 -12.733 1.00 0.00 H new ATOM 0 HD11 ILE A 84 16.860 -14.405 -12.134 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.068 -12.859 -11.745 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.421 -13.888 -13.046 1.00 0.00 H new ATOM 1423 N ALA A 85 15.644 -10.090 -16.756 1.00 0.00 N ATOM 1424 CA ALA A 85 15.081 -8.942 -17.445 1.00 0.00 C ATOM 1425 C ALA A 85 14.031 -9.420 -18.450 1.00 0.00 C ATOM 1426 O ALA A 85 12.979 -8.800 -18.596 1.00 0.00 O ATOM 1427 CB ALA A 85 16.204 -8.144 -18.110 1.00 0.00 C ATOM 0 H ALA A 85 16.642 -10.233 -16.911 1.00 0.00 H new ATOM 0 HA ALA A 85 14.583 -8.277 -16.739 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.781 -7.283 -18.627 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.907 -7.802 -17.350 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.725 -8.778 -18.827 1.00 0.00 H new ATOM 1433 N LYS A 86 14.354 -10.518 -19.117 1.00 0.00 N ATOM 1434 CA LYS A 86 13.452 -11.086 -20.105 1.00 0.00 C ATOM 1435 C LYS A 86 12.227 -11.666 -19.396 1.00 0.00 C ATOM 1436 O LYS A 86 11.958 -12.863 -19.492 1.00 0.00 O ATOM 1437 CB LYS A 86 14.190 -12.098 -20.985 1.00 0.00 C ATOM 1438 CG LYS A 86 14.864 -11.404 -22.170 1.00 0.00 C ATOM 1439 CD LYS A 86 16.137 -12.143 -22.586 1.00 0.00 C ATOM 1440 CE LYS A 86 16.136 -12.436 -24.088 1.00 0.00 C ATOM 1441 NZ LYS A 86 17.422 -13.043 -24.499 1.00 0.00 N ATOM 0 H LYS A 86 15.228 -11.030 -18.993 1.00 0.00 H new ATOM 0 HA LYS A 86 13.092 -10.312 -20.783 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.939 -12.623 -20.392 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.488 -12.849 -21.349 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.173 -11.361 -23.012 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.107 -10.375 -21.904 1.00 0.00 H new ATOM 0 HD2 LYS A 86 17.010 -11.543 -22.330 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.218 -13.077 -22.030 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.315 -13.110 -24.332 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.968 -11.514 -24.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.404 -13.235 -25.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.200 -12.387 -24.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.567 -13.934 -23.982 1.00 0.00 H new ATOM 1455 N LEU A 87 11.517 -10.791 -18.699 1.00 0.00 N ATOM 1456 CA LEU A 87 10.326 -11.201 -17.974 1.00 0.00 C ATOM 1457 C LEU A 87 9.368 -10.014 -17.862 1.00 0.00 C ATOM 1458 O LEU A 87 8.159 -10.169 -18.029 1.00 0.00 O ATOM 1459 CB LEU A 87 10.705 -11.815 -16.625 1.00 0.00 C ATOM 1460 CG LEU A 87 10.953 -13.325 -16.620 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.220 -13.832 -15.202 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.797 -14.072 -17.289 1.00 0.00 C ATOM 0 H LEU A 87 11.744 -9.800 -18.621 1.00 0.00 H new ATOM 0 HA LEU A 87 9.800 -11.985 -18.518 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.605 -11.318 -16.262 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.910 -11.595 -15.912 1.00 0.00 H new ATOM 0 HG LEU A 87 11.849 -13.527 -17.207 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.393 -14.908 -15.227 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.100 -13.332 -14.797 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.358 -13.618 -14.571 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.998 -15.143 -17.272 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.872 -13.868 -16.750 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.697 -13.738 -18.322 1.00 0.00 H new ATOM 1474 N LEU A 88 9.944 -8.854 -17.581 1.00 0.00 N ATOM 1475 CA LEU A 88 9.156 -7.641 -17.444 1.00 0.00 C ATOM 1476 C LEU A 88 9.125 -6.905 -18.785 1.00 0.00 C ATOM 1477 O LEU A 88 9.939 -7.177 -19.666 1.00 0.00 O ATOM 1478 CB LEU A 88 9.681 -6.789 -16.287 1.00 0.00 C ATOM 1479 CG LEU A 88 10.325 -7.553 -15.129 1.00 0.00 C ATOM 1480 CD1 LEU A 88 11.313 -6.666 -14.369 1.00 0.00 C ATOM 1481 CD2 LEU A 88 9.261 -8.149 -14.206 1.00 0.00 C ATOM 0 H LEU A 88 10.947 -8.729 -17.445 1.00 0.00 H new ATOM 0 HA LEU A 88 8.124 -7.883 -17.188 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.413 -6.085 -16.683 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.854 -6.200 -15.892 1.00 0.00 H new ATOM 0 HG LEU A 88 10.894 -8.386 -15.543 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.757 -7.234 -13.551 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.099 -6.332 -15.047 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.789 -5.799 -13.967 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.746 -8.687 -13.391 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.645 -7.349 -13.796 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.633 -8.837 -14.772 1.00 0.00 H new ATOM 1493 N PRO A 89 8.150 -5.963 -18.902 1.00 0.00 N ATOM 1494 CA PRO A 89 8.002 -5.186 -20.121 1.00 0.00 C ATOM 1495 C PRO A 89 9.094 -4.120 -20.227 1.00 0.00 C ATOM 1496 O PRO A 89 9.127 -3.354 -21.189 1.00 0.00 O ATOM 1497 CB PRO A 89 6.603 -4.598 -20.044 1.00 0.00 C ATOM 1498 CG PRO A 89 6.194 -4.683 -18.583 1.00 0.00 C ATOM 1499 CD PRO A 89 7.168 -5.614 -17.880 1.00 0.00 C ATOM 0 HA PRO A 89 8.117 -5.789 -21.022 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.594 -3.565 -20.392 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.911 -5.154 -20.676 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.211 -3.695 -18.124 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.175 -5.058 -18.493 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.640 -5.124 -17.028 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.662 -6.501 -17.497 1.00 0.00 H new ATOM 1507 N GLY A 90 9.962 -4.105 -19.226 1.00 0.00 N ATOM 1508 CA GLY A 90 11.052 -3.145 -19.195 1.00 0.00 C ATOM 1509 C GLY A 90 12.291 -3.744 -18.526 1.00 0.00 C ATOM 1510 O GLY A 90 12.510 -4.953 -18.587 1.00 0.00 O ATOM 0 H GLY A 90 9.932 -4.743 -18.430 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.297 -2.835 -20.211 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.739 -2.251 -18.655 1.00 0.00 H new ATOM 1514 N ARG A 91 13.069 -2.871 -17.903 1.00 0.00 N ATOM 1515 CA ARG A 91 14.280 -3.298 -17.224 1.00 0.00 C ATOM 1516 C ARG A 91 15.177 -4.084 -18.182 1.00 0.00 C ATOM 1517 O ARG A 91 14.739 -4.484 -19.260 1.00 0.00 O ATOM 1518 CB ARG A 91 13.952 -4.171 -16.011 1.00 0.00 C ATOM 1519 CG ARG A 91 12.946 -3.477 -15.091 1.00 0.00 C ATOM 1520 CD ARG A 91 13.572 -2.253 -14.419 1.00 0.00 C ATOM 1521 NE ARG A 91 12.517 -1.421 -13.799 1.00 0.00 N ATOM 1522 CZ ARG A 91 11.807 -0.494 -14.457 1.00 0.00 C ATOM 1523 NH1 ARG A 91 12.035 -0.275 -15.759 1.00 0.00 N ATOM 1524 NH2 ARG A 91 10.869 0.214 -13.813 1.00 0.00 N ATOM 0 H ARG A 91 12.884 -1.869 -17.854 1.00 0.00 H new ATOM 0 HA ARG A 91 14.802 -2.404 -16.884 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.546 -5.126 -16.345 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.866 -4.389 -15.458 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.071 -3.173 -15.666 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.600 -4.177 -14.330 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.288 -2.571 -13.661 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.124 -1.667 -15.154 1.00 0.00 H new ATOM 0 HE ARG A 91 12.318 -1.562 -12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.749 -0.814 -16.249 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.495 0.430 -16.260 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.695 0.047 -12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.329 0.919 -14.314 1.00 0.00 H new ATOM 1538 N THR A 92 16.415 -4.282 -17.754 1.00 0.00 N ATOM 1539 CA THR A 92 17.378 -5.013 -18.561 1.00 0.00 C ATOM 1540 C THR A 92 18.300 -5.844 -17.668 1.00 0.00 C ATOM 1541 O THR A 92 18.201 -5.787 -16.443 1.00 0.00 O ATOM 1542 CB THR A 92 18.126 -4.004 -19.435 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.301 -2.872 -18.586 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.267 -3.476 -20.586 1.00 0.00 C ATOM 0 H THR A 92 16.774 -3.949 -16.859 1.00 0.00 H new ATOM 0 HA THR A 92 16.882 -5.728 -19.217 1.00 0.00 H new ATOM 0 HB THR A 92 19.026 -4.469 -19.837 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.252 -2.764 -18.377 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.845 -2.764 -21.175 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.959 -4.307 -21.221 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.384 -2.981 -20.183 1.00 0.00 H new ATOM 1552 N ASP A 93 19.176 -6.599 -18.315 1.00 0.00 N ATOM 1553 CA ASP A 93 20.115 -7.441 -17.595 1.00 0.00 C ATOM 1554 C ASP A 93 20.978 -6.569 -16.681 1.00 0.00 C ATOM 1555 O ASP A 93 20.961 -6.734 -15.462 1.00 0.00 O ATOM 1556 CB ASP A 93 21.045 -8.180 -18.559 1.00 0.00 C ATOM 1557 CG ASP A 93 21.482 -7.372 -19.783 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.577 -6.884 -20.494 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.711 -7.259 -19.979 1.00 0.00 O ATOM 0 H ASP A 93 19.255 -6.645 -19.331 1.00 0.00 H new ATOM 0 HA ASP A 93 19.542 -8.168 -17.019 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.935 -8.494 -18.013 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.544 -9.086 -18.900 1.00 0.00 H new ATOM 1564 N ASN A 94 21.713 -5.660 -17.305 1.00 0.00 N ATOM 1565 CA ASN A 94 22.581 -4.762 -16.563 1.00 0.00 C ATOM 1566 C ASN A 94 21.795 -4.138 -15.408 1.00 0.00 C ATOM 1567 O ASN A 94 22.359 -3.851 -14.352 1.00 0.00 O ATOM 1568 CB ASN A 94 23.091 -3.628 -17.454 1.00 0.00 C ATOM 1569 CG ASN A 94 22.070 -3.282 -18.540 1.00 0.00 C ATOM 1570 OD1 ASN A 94 20.988 -2.785 -18.275 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.473 -3.572 -19.774 1.00 0.00 N ATOM 0 H ASN A 94 21.725 -5.526 -18.316 1.00 0.00 H new ATOM 0 HA ASN A 94 23.428 -5.340 -16.194 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.294 -2.746 -16.846 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.034 -3.920 -17.916 1.00 0.00 H new ATOM 0 HD21 ASN A 94 21.863 -3.379 -20.568 1.00 0.00 H new ATOM 0 HD22 ASN A 94 23.392 -3.987 -19.926 1.00 0.00 H new ATOM 1578 N ALA A 95 20.506 -3.947 -15.646 1.00 0.00 N ATOM 1579 CA ALA A 95 19.637 -3.362 -14.639 1.00 0.00 C ATOM 1580 C ALA A 95 19.503 -4.332 -13.463 1.00 0.00 C ATOM 1581 O ALA A 95 19.930 -4.026 -12.350 1.00 0.00 O ATOM 1582 CB ALA A 95 18.286 -3.018 -15.268 1.00 0.00 C ATOM 0 H ALA A 95 20.042 -4.187 -16.522 1.00 0.00 H new ATOM 0 HA ALA A 95 20.063 -2.435 -14.255 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.634 -2.579 -14.513 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.433 -2.305 -16.079 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.826 -3.925 -15.661 1.00 0.00 H new ATOM 1588 N VAL A 96 18.909 -5.481 -13.750 1.00 0.00 N ATOM 1589 CA VAL A 96 18.713 -6.497 -12.730 1.00 0.00 C ATOM 1590 C VAL A 96 20.060 -6.832 -12.085 1.00 0.00 C ATOM 1591 O VAL A 96 20.239 -6.646 -10.882 1.00 0.00 O ATOM 1592 CB VAL A 96 18.020 -7.719 -13.335 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.771 -8.791 -12.272 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.715 -7.322 -14.029 1.00 0.00 C ATOM 0 H VAL A 96 18.557 -5.731 -14.674 1.00 0.00 H new ATOM 0 HA VAL A 96 18.058 -6.126 -11.942 1.00 0.00 H new ATOM 0 HB VAL A 96 18.685 -8.142 -14.088 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.277 -9.649 -12.729 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.722 -9.106 -11.843 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.136 -8.383 -11.486 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.243 -8.209 -14.450 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.043 -6.862 -13.304 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.929 -6.611 -14.827 1.00 0.00 H new ATOM 1604 N LYS A 97 20.971 -7.320 -12.913 1.00 0.00 N ATOM 1605 CA LYS A 97 22.296 -7.683 -12.438 1.00 0.00 C ATOM 1606 C LYS A 97 22.742 -6.682 -11.370 1.00 0.00 C ATOM 1607 O LYS A 97 22.979 -7.058 -10.223 1.00 0.00 O ATOM 1608 CB LYS A 97 23.270 -7.805 -13.611 1.00 0.00 C ATOM 1609 CG LYS A 97 24.670 -8.185 -13.124 1.00 0.00 C ATOM 1610 CD LYS A 97 25.599 -8.485 -14.303 1.00 0.00 C ATOM 1611 CE LYS A 97 25.944 -7.206 -15.068 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.320 -6.765 -14.747 1.00 0.00 N ATOM 0 H LYS A 97 20.818 -7.473 -13.910 1.00 0.00 H new ATOM 0 HA LYS A 97 22.276 -8.665 -11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.908 -8.557 -14.312 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.313 -6.860 -14.152 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.084 -7.372 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.608 -9.058 -12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.514 -8.954 -13.940 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.121 -9.197 -14.975 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.853 -7.381 -16.140 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.235 -6.419 -14.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.538 -5.896 -15.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.396 -6.579 -13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.995 -7.510 -15.014 1.00 0.00 H new ATOM 1626 N ASN A 98 22.842 -5.428 -11.785 1.00 0.00 N ATOM 1627 CA ASN A 98 23.255 -4.370 -10.878 1.00 0.00 C ATOM 1628 C ASN A 98 22.261 -4.282 -9.718 1.00 0.00 C ATOM 1629 O ASN A 98 22.652 -4.360 -8.554 1.00 0.00 O ATOM 1630 CB ASN A 98 23.276 -3.014 -11.586 1.00 0.00 C ATOM 1631 CG ASN A 98 24.280 -2.067 -10.927 1.00 0.00 C ATOM 1632 OD1 ASN A 98 25.355 -1.817 -11.668 1.00 0.00 O flip ATOM 1633 ND2 ASN A 98 24.090 -1.593 -9.818 1.00 0.00 N flip ATOM 0 H ASN A 98 22.644 -5.120 -12.737 1.00 0.00 H new ATOM 0 HA ASN A 98 24.257 -4.605 -10.520 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.536 -3.152 -12.636 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.281 -2.570 -11.559 1.00 0.00 H new ATOM 0 HD21 ASN A 98 23.242 -1.827 -9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 98 24.780 -0.963 -9.408 1.00 0.00 H new ATOM 1640 N HIS A 99 20.996 -4.121 -10.075 1.00 0.00 N ATOM 1641 CA HIS A 99 19.943 -4.021 -9.078 1.00 0.00 C ATOM 1642 C HIS A 99 20.155 -5.086 -8.000 1.00 0.00 C ATOM 1643 O HIS A 99 19.756 -4.900 -6.852 1.00 0.00 O ATOM 1644 CB HIS A 99 18.564 -4.108 -9.734 1.00 0.00 C ATOM 1645 CG HIS A 99 17.422 -4.210 -8.751 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.302 -3.377 -7.653 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.351 -5.054 -8.714 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.205 -3.714 -6.990 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.617 -4.754 -7.649 1.00 0.00 N ATOM 0 H HIS A 99 20.676 -4.057 -11.041 1.00 0.00 H new ATOM 0 HA HIS A 99 19.989 -3.047 -8.592 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.414 -3.228 -10.359 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.541 -4.975 -10.394 1.00 0.00 H new ATOM 0 HD2 HIS A 99 16.136 -5.834 -9.430 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.841 -3.247 -6.087 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.756 -5.224 -7.370 1.00 0.00 H new ATOM 1657 N TRP A 100 20.784 -6.179 -8.409 1.00 0.00 N ATOM 1658 CA TRP A 100 21.054 -7.274 -7.492 1.00 0.00 C ATOM 1659 C TRP A 100 21.954 -6.743 -6.374 1.00 0.00 C ATOM 1660 O TRP A 100 21.532 -6.656 -5.222 1.00 0.00 O ATOM 1661 CB TRP A 100 21.658 -8.470 -8.230 1.00 0.00 C ATOM 1662 CG TRP A 100 21.542 -9.793 -7.471 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.524 -10.640 -7.134 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.329 -10.390 -6.964 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.035 -11.735 -6.450 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.658 -11.577 -6.343 1.00 0.00 C ATOM 1667 CE3 TRP A 100 18.999 -9.940 -7.028 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.713 -12.415 -5.739 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.065 -10.788 -6.419 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.380 -11.987 -5.791 1.00 0.00 C ATOM 0 H TRP A 100 21.114 -6.329 -9.362 1.00 0.00 H new ATOM 0 HA TRP A 100 20.129 -7.643 -7.048 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.166 -8.573 -9.197 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.711 -8.268 -8.428 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.567 -10.486 -7.368 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.583 -12.516 -6.090 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.719 -9.014 -7.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.996 -13.340 -5.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.027 -10.489 -6.439 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.600 -12.586 -5.345 1.00 0.00 H new ATOM 1681 N ASN A 101 23.177 -6.403 -6.754 1.00 0.00 N ATOM 1682 CA ASN A 101 24.140 -5.883 -5.798 1.00 0.00 C ATOM 1683 C ASN A 101 23.744 -4.458 -5.405 1.00 0.00 C ATOM 1684 O ASN A 101 24.384 -3.846 -4.551 1.00 0.00 O ATOM 1685 CB ASN A 101 25.544 -5.835 -6.402 1.00 0.00 C ATOM 1686 CG ASN A 101 26.102 -7.245 -6.607 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.410 -7.961 -5.669 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.214 -7.602 -7.884 1.00 0.00 N ATOM 0 H ASN A 101 23.523 -6.477 -7.711 1.00 0.00 H new ATOM 0 HA ASN A 101 24.144 -6.542 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.515 -5.309 -7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.206 -5.270 -5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.576 -8.524 -8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 101 25.938 -6.953 -8.621 1.00 0.00 H new ATOM 1695 N SER A 102 22.693 -3.972 -6.048 1.00 0.00 N ATOM 1696 CA SER A 102 22.205 -2.630 -5.777 1.00 0.00 C ATOM 1697 C SER A 102 21.508 -2.592 -4.415 1.00 0.00 C ATOM 1698 O SER A 102 22.096 -2.163 -3.424 1.00 0.00 O ATOM 1699 CB SER A 102 21.250 -2.159 -6.875 1.00 0.00 C ATOM 1700 OG SER A 102 21.878 -2.135 -8.154 1.00 0.00 O ATOM 0 H SER A 102 22.166 -4.483 -6.756 1.00 0.00 H new ATOM 0 HA SER A 102 23.059 -1.952 -5.760 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.383 -2.819 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.882 -1.162 -6.633 1.00 0.00 H new ATOM 0 HG SER A 102 22.615 -2.781 -8.169 1.00 0.00 H new ATOM 1706 N THR A 103 20.263 -3.048 -4.410 1.00 0.00 N ATOM 1707 CA THR A 103 19.480 -3.071 -3.187 1.00 0.00 C ATOM 1708 C THR A 103 19.183 -4.513 -2.772 1.00 0.00 C ATOM 1709 O THR A 103 18.762 -4.764 -1.644 1.00 0.00 O ATOM 1710 CB THR A 103 18.221 -2.233 -3.416 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.619 -0.908 -3.073 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.110 -2.559 -2.415 1.00 0.00 C ATOM 0 H THR A 103 19.778 -3.404 -5.234 1.00 0.00 H new ATOM 0 HA THR A 103 20.032 -2.633 -2.355 1.00 0.00 H new ATOM 0 HB THR A 103 17.856 -2.397 -4.430 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.862 -0.297 -3.194 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.240 -1.936 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.835 -3.610 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.463 -2.363 -1.403 1.00 0.00 H new ATOM 1720 N ILE A 104 19.413 -5.424 -3.706 1.00 0.00 N ATOM 1721 CA ILE A 104 19.176 -6.834 -3.451 1.00 0.00 C ATOM 1722 C ILE A 104 20.436 -7.460 -2.851 1.00 0.00 C ATOM 1723 O ILE A 104 20.694 -8.648 -3.038 1.00 0.00 O ATOM 1724 CB ILE A 104 18.688 -7.533 -4.722 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.709 -6.647 -5.494 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.087 -8.903 -4.398 1.00 0.00 C ATOM 1727 CD1 ILE A 104 16.314 -6.695 -4.867 1.00 0.00 C ATOM 0 H ILE A 104 19.761 -5.213 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 104 18.379 -6.959 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 104 19.548 -7.703 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 104 18.072 -5.619 -5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.657 -6.976 -6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.748 -9.378 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.843 -9.529 -3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.242 -8.779 -3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.638 -6.056 -5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 104 15.944 -7.720 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.366 -6.343 -3.837 1.00 0.00 H new ATOM 1739 N LYS A 105 21.189 -6.631 -2.142 1.00 0.00 N ATOM 1740 CA LYS A 105 22.417 -7.088 -1.514 1.00 0.00 C ATOM 1741 C LYS A 105 22.705 -6.227 -0.283 1.00 0.00 C ATOM 1742 O LYS A 105 23.077 -5.061 -0.409 1.00 0.00 O ATOM 1743 CB LYS A 105 23.561 -7.113 -2.529 1.00 0.00 C ATOM 1744 CG LYS A 105 23.425 -8.304 -3.479 1.00 0.00 C ATOM 1745 CD LYS A 105 23.313 -9.617 -2.701 1.00 0.00 C ATOM 1746 CE LYS A 105 24.288 -10.662 -3.244 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.560 -11.876 -3.676 1.00 0.00 N ATOM 0 H LYS A 105 20.972 -5.646 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 105 22.308 -8.115 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.564 -6.185 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.515 -7.168 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.544 -8.173 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.288 -8.344 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.518 -9.437 -1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.294 -9.997 -2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.845 -10.247 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.017 -10.922 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.235 -12.654 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.869 -12.145 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.063 -11.683 -4.569 1.00 0.00 H new