USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot -166:sc= 0.528 USER MOD Set 1.2: A 60 CYS SG : rot -116:sc= -2.68 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -4.73! C(o=-7!,f=-6.6!) USER MOD Set 1.4: A 74 THR OG1 : rot 75:sc= 0.804 USER MOD Set 1.5: A 78 HIS : no HE2:sc= -0.9 K(o=-7,f=-7.7!) USER MOD Set 2.1: A 52 GLN : amide:sc= -3.96! C(o=-3.9!,f=-18!) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.0802 K(o=-3.9,f=-9.5!) USER MOD Set 3.1: A 27 CYS SG : rot 120:sc= 0.443 USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 30 CYS SG : rot -85:sc= -0.222 USER MOD Set 3.4: A 44 HIS : no HD1:sc= -3.87! K(o=-4.5!,f=-3.6) USER MOD Set 3.5: A 48 CYS SG : rot 145:sc= -0.872 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0.0085) USER MOD Single : A 20 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-3.2!) USER MOD Single : A 31 ASN : amide:sc= -3.13! C(o=-3.1!,f=-2.6!) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.491 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -57:sc= -0.512 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -131:sc= 0.393 (180deg=-0.932) USER MOD Single : A 45 MET CE :methyl -137:sc= -1.14 (180deg=-2.8!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= -0.0976 (180deg=-0.125) USER MOD Single : A 58 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.1!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.105 X(o=0.11,f=-0.004) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 163:sc= -0.046 (180deg=-0.405) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -2.441 17.575 -6.288 1.00 0.00 N ATOM 95 CA PRO A 11 -2.984 17.378 -7.636 1.00 0.00 C ATOM 96 C PRO A 11 -2.030 17.863 -8.722 1.00 0.00 C ATOM 97 O PRO A 11 -2.037 19.038 -9.087 1.00 0.00 O ATOM 98 CB PRO A 11 -4.262 18.221 -7.631 1.00 0.00 C ATOM 99 CG PRO A 11 -4.020 19.268 -6.599 1.00 0.00 C ATOM 100 CD PRO A 11 -3.163 18.622 -5.546 1.00 0.00 C ATOM 0 HA PRO A 11 -3.153 16.324 -7.857 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.448 18.665 -8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.135 17.616 -7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.520 20.134 -7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.959 19.622 -6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.478 19.337 -5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.765 18.201 -4.741 1.00 0.00 H new ATOM 108 N GLU A 12 -1.210 16.950 -9.234 1.00 0.00 N ATOM 109 CA GLU A 12 -0.250 17.287 -10.279 1.00 0.00 C ATOM 110 C GLU A 12 0.862 18.176 -9.729 1.00 0.00 C ATOM 111 O GLU A 12 1.343 19.079 -10.413 1.00 0.00 O ATOM 112 CB GLU A 12 -0.954 17.991 -11.441 1.00 0.00 C ATOM 113 CG GLU A 12 -2.186 17.257 -11.941 1.00 0.00 C ATOM 114 CD GLU A 12 -3.408 17.515 -11.082 1.00 0.00 C ATOM 115 OE1 GLU A 12 -4.058 18.565 -11.274 1.00 0.00 O ATOM 116 OE2 GLU A 12 -3.715 16.669 -10.216 1.00 0.00 O ATOM 0 H GLU A 12 -1.191 15.973 -8.943 1.00 0.00 H new ATOM 0 HA GLU A 12 0.195 16.360 -10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.242 18.994 -11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.250 18.105 -12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.396 17.563 -12.966 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.982 16.186 -11.964 1.00 0.00 H new ATOM 123 N GLU A 13 1.264 17.912 -8.490 1.00 0.00 N ATOM 124 CA GLU A 13 2.319 18.688 -7.848 1.00 0.00 C ATOM 125 C GLU A 13 3.693 18.263 -8.355 1.00 0.00 C ATOM 126 O GLU A 13 4.452 19.077 -8.880 1.00 0.00 O ATOM 127 CB GLU A 13 2.250 18.525 -6.329 1.00 0.00 C ATOM 128 CG GLU A 13 2.966 19.626 -5.565 1.00 0.00 C ATOM 129 CD GLU A 13 2.756 19.529 -4.066 1.00 0.00 C ATOM 130 OE1 GLU A 13 1.645 19.858 -3.601 1.00 0.00 O ATOM 131 OE2 GLU A 13 3.702 19.124 -3.359 1.00 0.00 O ATOM 0 H GLU A 13 0.876 17.167 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 13 2.167 19.737 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.204 18.502 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.684 17.563 -6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.033 19.579 -5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.612 20.595 -5.916 1.00 0.00 H new ATOM 138 N GLN A 14 4.006 16.981 -8.194 1.00 0.00 N ATOM 139 CA GLN A 14 5.290 16.447 -8.634 1.00 0.00 C ATOM 140 C GLN A 14 5.370 16.408 -10.156 1.00 0.00 C ATOM 141 O GLN A 14 6.409 16.715 -10.741 1.00 0.00 O ATOM 142 CB GLN A 14 5.505 15.044 -8.064 1.00 0.00 C ATOM 143 CG GLN A 14 6.941 14.556 -8.173 1.00 0.00 C ATOM 144 CD GLN A 14 7.039 13.046 -8.263 1.00 0.00 C ATOM 145 OE1 GLN A 14 6.434 12.325 -7.469 1.00 0.00 O ATOM 146 NE2 GLN A 14 7.803 12.559 -9.234 1.00 0.00 N ATOM 0 H GLN A 14 3.389 16.293 -7.762 1.00 0.00 H new ATOM 0 HA GLN A 14 6.075 17.106 -8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.206 15.037 -7.016 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.852 14.345 -8.586 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.406 15.000 -9.054 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.505 14.902 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.286 13.194 -9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.906 11.550 -9.344 1.00 0.00 H new ATOM 155 N TRP A 15 4.268 16.028 -10.792 1.00 0.00 N ATOM 156 CA TRP A 15 4.214 15.948 -12.247 1.00 0.00 C ATOM 157 C TRP A 15 4.526 17.301 -12.878 1.00 0.00 C ATOM 158 O TRP A 15 5.279 17.383 -13.848 1.00 0.00 O ATOM 159 CB TRP A 15 2.835 15.466 -12.701 1.00 0.00 C ATOM 160 CG TRP A 15 2.618 13.999 -12.483 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.567 13.017 -12.510 1.00 0.00 C ATOM 162 CD2 TRP A 15 1.372 13.349 -12.208 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.986 11.795 -12.268 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.641 11.972 -12.078 1.00 0.00 C ATOM 165 CE3 TRP A 15 0.057 13.795 -12.056 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.642 11.041 -11.805 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -0.933 12.871 -11.785 1.00 0.00 C ATOM 168 CH2 TRP A 15 -0.637 11.507 -11.661 1.00 0.00 C ATOM 0 H TRP A 15 3.400 15.770 -10.323 1.00 0.00 H new ATOM 0 HA TRP A 15 4.968 15.232 -12.575 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.068 16.023 -12.164 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.710 15.691 -13.760 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.619 13.177 -12.694 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.477 10.901 -12.235 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.181 14.844 -12.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.868 9.989 -11.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.953 13.206 -11.667 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.434 10.810 -11.448 1.00 0.00 H new ATOM 179 N GLN A 16 3.943 18.357 -12.322 1.00 0.00 N ATOM 180 CA GLN A 16 4.160 19.706 -12.832 1.00 0.00 C ATOM 181 C GLN A 16 5.552 20.209 -12.466 1.00 0.00 C ATOM 182 O GLN A 16 6.274 20.738 -13.311 1.00 0.00 O ATOM 183 CB GLN A 16 3.099 20.660 -12.280 1.00 0.00 C ATOM 184 CG GLN A 16 1.786 20.616 -13.045 1.00 0.00 C ATOM 185 CD GLN A 16 0.872 21.777 -12.703 1.00 0.00 C ATOM 186 OE1 GLN A 16 0.485 21.957 -11.548 1.00 0.00 O ATOM 187 NE2 GLN A 16 0.523 22.572 -13.707 1.00 0.00 N ATOM 0 H GLN A 16 3.317 18.305 -11.519 1.00 0.00 H new ATOM 0 HA GLN A 16 4.079 19.673 -13.919 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.910 20.415 -11.235 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.490 21.677 -12.303 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.993 20.624 -14.115 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.274 19.679 -12.827 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.867 22.385 -14.649 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.090 23.370 -13.537 1.00 0.00 H new ATOM 196 N ARG A 17 5.923 20.042 -11.200 1.00 0.00 N ATOM 197 CA ARG A 17 7.228 20.481 -10.722 1.00 0.00 C ATOM 198 C ARG A 17 8.332 20.050 -11.682 1.00 0.00 C ATOM 199 O ARG A 17 9.378 20.692 -11.771 1.00 0.00 O ATOM 200 CB ARG A 17 7.501 19.914 -9.327 1.00 0.00 C ATOM 201 CG ARG A 17 7.056 20.832 -8.200 1.00 0.00 C ATOM 202 CD ARG A 17 6.906 20.073 -6.891 1.00 0.00 C ATOM 203 NE ARG A 17 8.197 19.783 -6.274 1.00 0.00 N ATOM 204 CZ ARG A 17 8.363 19.593 -4.970 1.00 0.00 C ATOM 205 NH1 ARG A 17 7.324 19.662 -4.149 1.00 0.00 N ATOM 206 NH2 ARG A 17 9.570 19.333 -4.484 1.00 0.00 N ATOM 0 H ARG A 17 5.338 19.606 -10.488 1.00 0.00 H new ATOM 0 HA ARG A 17 7.220 21.570 -10.670 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.991 18.956 -9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.569 19.719 -9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.782 21.635 -8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.106 21.299 -8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.298 20.658 -6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.373 19.139 -7.073 1.00 0.00 H new ATOM 0 HE ARG A 17 9.017 19.723 -6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.394 19.861 -4.518 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.454 19.516 -3.148 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.372 19.279 -5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.696 19.187 -3.482 1.00 0.00 H new ATOM 220 N ALA A 18 8.092 18.957 -12.400 1.00 0.00 N ATOM 221 CA ALA A 18 9.065 18.441 -13.355 1.00 0.00 C ATOM 222 C ALA A 18 8.784 18.961 -14.760 1.00 0.00 C ATOM 223 O ALA A 18 9.704 19.164 -15.552 1.00 0.00 O ATOM 224 CB ALA A 18 9.060 16.919 -13.342 1.00 0.00 C ATOM 0 H ALA A 18 7.232 18.412 -12.338 1.00 0.00 H new ATOM 0 HA ALA A 18 10.053 18.793 -13.057 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.791 16.547 -14.060 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.317 16.563 -12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.068 16.556 -13.613 1.00 0.00 H new ATOM 230 N ILE A 19 7.508 19.173 -15.063 1.00 0.00 N ATOM 231 CA ILE A 19 7.107 19.670 -16.374 1.00 0.00 C ATOM 232 C ILE A 19 7.723 21.036 -16.656 1.00 0.00 C ATOM 233 O ILE A 19 8.029 21.367 -17.802 1.00 0.00 O ATOM 234 CB ILE A 19 5.575 19.777 -16.491 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.966 18.401 -16.768 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.194 20.761 -17.587 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.453 18.391 -16.733 1.00 0.00 C ATOM 0 H ILE A 19 6.734 19.009 -14.419 1.00 0.00 H new ATOM 0 HA ILE A 19 7.470 18.951 -17.108 1.00 0.00 H new ATOM 0 HB ILE A 19 5.178 20.146 -15.545 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.301 18.055 -17.746 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.343 17.691 -16.032 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.108 20.825 -17.657 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.601 21.744 -17.351 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.599 20.420 -18.539 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.091 17.384 -16.938 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.110 18.707 -15.748 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.067 19.076 -17.488 1.00 0.00 H new ATOM 249 N HIS A 20 7.905 21.826 -15.602 1.00 0.00 N ATOM 250 CA HIS A 20 8.488 23.157 -15.736 1.00 0.00 C ATOM 251 C HIS A 20 10.002 23.107 -15.553 1.00 0.00 C ATOM 252 O HIS A 20 10.730 23.932 -16.105 1.00 0.00 O ATOM 253 CB HIS A 20 7.870 24.112 -14.715 1.00 0.00 C ATOM 254 CG HIS A 20 8.587 24.130 -13.401 1.00 0.00 C ATOM 255 ND1 HIS A 20 9.437 25.148 -13.020 1.00 0.00 N ATOM 256 CD2 HIS A 20 8.576 23.247 -12.374 1.00 0.00 C ATOM 257 CE1 HIS A 20 9.919 24.889 -11.818 1.00 0.00 C ATOM 258 NE2 HIS A 20 9.412 23.742 -11.403 1.00 0.00 N ATOM 0 H HIS A 20 7.657 21.568 -14.647 1.00 0.00 H new ATOM 0 HA HIS A 20 8.273 23.522 -16.740 1.00 0.00 H new ATOM 0 HB2 HIS A 20 7.864 25.120 -15.130 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.830 23.830 -14.548 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.015 22.326 -12.327 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.610 25.510 -11.268 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.609 23.296 -10.507 1.00 0.00 H new ATOM 266 N GLU A 21 10.468 22.136 -14.775 1.00 0.00 N ATOM 267 CA GLU A 21 11.895 21.981 -14.519 1.00 0.00 C ATOM 268 C GLU A 21 12.602 21.372 -15.726 1.00 0.00 C ATOM 269 O GLU A 21 13.539 21.956 -16.270 1.00 0.00 O ATOM 270 CB GLU A 21 12.122 21.105 -13.285 1.00 0.00 C ATOM 271 CG GLU A 21 12.125 21.881 -11.979 1.00 0.00 C ATOM 272 CD GLU A 21 13.466 22.525 -11.686 1.00 0.00 C ATOM 273 OE1 GLU A 21 13.938 23.321 -12.523 1.00 0.00 O ATOM 274 OE2 GLU A 21 14.042 22.232 -10.617 1.00 0.00 O ATOM 0 H GLU A 21 9.879 21.445 -14.311 1.00 0.00 H new ATOM 0 HA GLU A 21 12.314 22.970 -14.336 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.344 20.343 -13.243 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.073 20.584 -13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.356 22.653 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.862 21.210 -11.161 1.00 0.00 H new ATOM 281 N ARG A 22 12.145 20.195 -16.140 1.00 0.00 N ATOM 282 CA ARG A 22 12.734 19.505 -17.282 1.00 0.00 C ATOM 283 C ARG A 22 12.054 19.926 -18.581 1.00 0.00 C ATOM 284 O ARG A 22 12.612 20.692 -19.366 1.00 0.00 O ATOM 285 CB ARG A 22 12.622 17.990 -17.103 1.00 0.00 C ATOM 286 CG ARG A 22 13.323 17.470 -15.858 1.00 0.00 C ATOM 287 CD ARG A 22 12.676 16.192 -15.347 1.00 0.00 C ATOM 288 NE ARG A 22 13.118 15.018 -16.095 1.00 0.00 N ATOM 289 CZ ARG A 22 12.776 13.774 -15.780 1.00 0.00 C ATOM 290 NH1 ARG A 22 11.990 13.543 -14.737 1.00 0.00 N ATOM 291 NH2 ARG A 22 13.219 12.758 -16.509 1.00 0.00 N ATOM 0 H ARG A 22 11.369 19.699 -15.702 1.00 0.00 H new ATOM 0 HA ARG A 22 13.787 19.780 -17.337 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.568 17.715 -17.058 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.043 17.497 -17.979 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.373 17.283 -16.082 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.294 18.231 -15.078 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.916 16.061 -14.292 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.592 16.281 -15.419 1.00 0.00 H new ATOM 0 HE ARG A 22 13.723 15.161 -16.904 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.647 14.322 -14.175 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.729 12.587 -14.497 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.823 12.932 -17.312 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.956 11.803 -16.266 1.00 0.00 H new ATOM 305 N GLY A 23 10.845 19.419 -18.802 1.00 0.00 N ATOM 306 CA GLY A 23 10.109 19.753 -20.007 1.00 0.00 C ATOM 307 C GLY A 23 8.672 19.274 -19.960 1.00 0.00 C ATOM 308 O GLY A 23 7.741 20.076 -20.035 1.00 0.00 O ATOM 0 H GLY A 23 10.362 18.783 -18.168 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.124 20.833 -20.151 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.608 19.310 -20.869 1.00 0.00 H new ATOM 312 N GLU A 24 8.490 17.963 -19.838 1.00 0.00 N ATOM 313 CA GLU A 24 7.155 17.379 -19.785 1.00 0.00 C ATOM 314 C GLU A 24 7.145 16.121 -18.920 1.00 0.00 C ATOM 315 O GLU A 24 8.197 15.620 -18.523 1.00 0.00 O ATOM 316 CB GLU A 24 6.663 17.045 -21.194 1.00 0.00 C ATOM 317 CG GLU A 24 7.415 15.896 -21.845 1.00 0.00 C ATOM 318 CD GLU A 24 6.726 15.381 -23.094 1.00 0.00 C ATOM 319 OE1 GLU A 24 5.511 15.104 -23.031 1.00 0.00 O ATOM 320 OE2 GLU A 24 7.405 15.256 -24.136 1.00 0.00 O ATOM 0 H GLU A 24 9.250 17.286 -19.774 1.00 0.00 H new ATOM 0 HA GLU A 24 6.484 18.112 -19.338 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.603 16.796 -21.150 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.756 17.931 -21.822 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.423 16.224 -22.100 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.517 15.081 -21.128 1.00 0.00 H new ATOM 327 N ALA A 25 5.950 15.618 -18.631 1.00 0.00 N ATOM 328 CA ALA A 25 5.802 14.419 -17.815 1.00 0.00 C ATOM 329 C ALA A 25 4.994 13.353 -18.546 1.00 0.00 C ATOM 330 O ALA A 25 3.809 13.162 -18.273 1.00 0.00 O ATOM 331 CB ALA A 25 5.146 14.763 -16.486 1.00 0.00 C ATOM 0 H ALA A 25 5.069 16.022 -18.950 1.00 0.00 H new ATOM 0 HA ALA A 25 6.796 14.015 -17.623 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.042 13.858 -15.887 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.764 15.484 -15.951 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.161 15.194 -16.667 1.00 0.00 H new ATOM 337 N VAL A 26 5.642 12.661 -19.478 1.00 0.00 N ATOM 338 CA VAL A 26 4.983 11.614 -20.249 1.00 0.00 C ATOM 339 C VAL A 26 4.488 10.493 -19.342 1.00 0.00 C ATOM 340 O VAL A 26 4.842 10.430 -18.165 1.00 0.00 O ATOM 341 CB VAL A 26 5.927 11.020 -21.312 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.428 12.109 -22.248 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.090 10.300 -20.647 1.00 0.00 C ATOM 0 H VAL A 26 6.623 12.807 -19.717 1.00 0.00 H new ATOM 0 HA VAL A 26 4.132 12.077 -20.748 1.00 0.00 H new ATOM 0 HB VAL A 26 5.370 10.293 -21.904 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.093 11.671 -22.992 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.580 12.576 -22.749 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.970 12.861 -21.674 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.747 9.886 -21.412 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.649 11.004 -20.030 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.709 9.493 -20.021 1.00 0.00 H new ATOM 353 N CYS A 27 3.666 9.609 -19.898 1.00 0.00 N ATOM 354 CA CYS A 27 3.121 8.489 -19.141 1.00 0.00 C ATOM 355 C CYS A 27 4.231 7.538 -18.702 1.00 0.00 C ATOM 356 O CYS A 27 4.999 7.023 -19.515 1.00 0.00 O ATOM 357 CB CYS A 27 2.089 7.733 -19.979 1.00 0.00 C ATOM 358 SG CYS A 27 1.077 6.554 -19.028 1.00 0.00 S ATOM 0 H CYS A 27 3.363 9.647 -20.871 1.00 0.00 H new ATOM 0 HA CYS A 27 2.634 8.888 -18.251 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.430 8.455 -20.461 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.606 7.194 -20.773 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.177 6.884 -19.123 1.00 0.00 H new ATOM 363 N PRO A 28 4.318 7.298 -17.385 1.00 0.00 N ATOM 364 CA PRO A 28 5.329 6.407 -16.808 1.00 0.00 C ATOM 365 C PRO A 28 5.080 4.944 -17.157 1.00 0.00 C ATOM 366 O PRO A 28 5.808 4.056 -16.712 1.00 0.00 O ATOM 367 CB PRO A 28 5.180 6.630 -15.301 1.00 0.00 C ATOM 368 CG PRO A 28 3.773 7.088 -15.123 1.00 0.00 C ATOM 369 CD PRO A 28 3.436 7.877 -16.358 1.00 0.00 C ATOM 0 HA PRO A 28 6.327 6.624 -17.188 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.371 5.713 -14.744 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.888 7.376 -14.939 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.098 6.240 -15.005 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.673 7.702 -14.228 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.385 7.773 -16.627 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.626 8.941 -16.219 1.00 0.00 H new ATOM 377 N THR A 29 4.047 4.699 -17.957 1.00 0.00 N ATOM 378 CA THR A 29 3.702 3.343 -18.366 1.00 0.00 C ATOM 379 C THR A 29 4.120 3.080 -19.808 1.00 0.00 C ATOM 380 O THR A 29 4.749 2.065 -20.108 1.00 0.00 O ATOM 381 CB THR A 29 2.191 3.082 -18.225 1.00 0.00 C ATOM 382 OG1 THR A 29 1.764 3.377 -16.891 1.00 0.00 O ATOM 383 CG2 THR A 29 1.858 1.636 -18.562 1.00 0.00 C ATOM 0 H THR A 29 3.435 5.422 -18.335 1.00 0.00 H new ATOM 0 HA THR A 29 4.243 2.666 -17.705 1.00 0.00 H new ATOM 0 HB THR A 29 1.666 3.732 -18.925 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.802 3.210 -16.811 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.785 1.475 -18.455 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.156 1.424 -19.589 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.394 0.972 -17.884 1.00 0.00 H new ATOM 391 N CYS A 30 3.768 4.001 -20.698 1.00 0.00 N ATOM 392 CA CYS A 30 4.106 3.870 -22.110 1.00 0.00 C ATOM 393 C CYS A 30 4.948 5.053 -22.580 1.00 0.00 C ATOM 394 O CYS A 30 5.706 4.945 -23.544 1.00 0.00 O ATOM 395 CB CYS A 30 2.834 3.768 -22.954 1.00 0.00 C ATOM 396 SG CYS A 30 1.461 4.807 -22.358 1.00 0.00 S ATOM 0 H CYS A 30 3.248 4.847 -20.466 1.00 0.00 H new ATOM 0 HA CYS A 30 4.690 2.958 -22.234 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.069 4.049 -23.981 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.507 2.729 -22.974 1.00 0.00 H new ATOM 0 HG CYS A 30 0.800 4.167 -21.440 1.00 0.00 H new ATOM 401 N ASN A 31 4.810 6.181 -21.892 1.00 0.00 N ATOM 402 CA ASN A 31 5.557 7.385 -22.239 1.00 0.00 C ATOM 403 C ASN A 31 5.020 8.007 -23.524 1.00 0.00 C ATOM 404 O ASN A 31 5.773 8.585 -24.308 1.00 0.00 O ATOM 405 CB ASN A 31 7.044 7.058 -22.399 1.00 0.00 C ATOM 406 CG ASN A 31 7.471 5.876 -21.550 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.575 4.752 -22.040 1.00 0.00 O ATOM 408 ND2 ASN A 31 7.721 6.127 -20.270 1.00 0.00 N ATOM 0 H ASN A 31 4.188 6.287 -21.091 1.00 0.00 H new ATOM 0 HA ASN A 31 5.435 8.105 -21.430 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.255 6.844 -23.447 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.637 7.931 -22.126 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.013 5.372 -19.650 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.621 7.075 -19.907 1.00 0.00 H new ATOM 415 N VAL A 32 3.713 7.886 -23.732 1.00 0.00 N ATOM 416 CA VAL A 32 3.074 8.438 -24.921 1.00 0.00 C ATOM 417 C VAL A 32 1.718 9.046 -24.583 1.00 0.00 C ATOM 418 O VAL A 32 0.747 8.330 -24.339 1.00 0.00 O ATOM 419 CB VAL A 32 2.886 7.362 -26.008 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.231 6.933 -26.573 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.127 6.168 -25.449 1.00 0.00 C ATOM 0 H VAL A 32 3.076 7.411 -23.093 1.00 0.00 H new ATOM 0 HA VAL A 32 3.734 9.217 -25.302 1.00 0.00 H new ATOM 0 HB VAL A 32 2.298 7.789 -26.820 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.078 6.173 -27.339 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.733 7.795 -27.012 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.848 6.523 -25.773 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.003 5.418 -26.230 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.686 5.738 -24.618 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.147 6.492 -25.098 1.00 0.00 H new ATOM 431 N VAL A 33 1.657 10.374 -24.572 1.00 0.00 N ATOM 432 CA VAL A 33 0.419 11.081 -24.265 1.00 0.00 C ATOM 433 C VAL A 33 0.492 12.536 -24.714 1.00 0.00 C ATOM 434 O VAL A 33 1.478 12.965 -25.314 1.00 0.00 O ATOM 435 CB VAL A 33 0.105 11.034 -22.758 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.848 9.890 -22.447 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.387 10.906 -21.950 1.00 0.00 C ATOM 0 H VAL A 33 2.451 10.982 -24.772 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.378 10.576 -24.810 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.382 11.968 -22.477 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.059 9.872 -21.378 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.778 10.031 -22.998 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.391 8.945 -22.743 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.146 10.874 -20.887 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.905 9.989 -22.232 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.031 11.763 -22.151 1.00 0.00 H new ATOM 447 N THR A 34 -0.560 13.294 -24.418 1.00 0.00 N ATOM 448 CA THR A 34 -0.617 14.702 -24.790 1.00 0.00 C ATOM 449 C THR A 34 0.729 15.383 -24.572 1.00 0.00 C ATOM 450 O THR A 34 1.375 15.187 -23.542 1.00 0.00 O ATOM 451 CB THR A 34 -1.696 15.452 -23.988 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.978 14.854 -24.212 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.740 16.921 -24.382 1.00 0.00 C ATOM 0 H THR A 34 -1.384 12.956 -23.921 1.00 0.00 H new ATOM 0 HA THR A 34 -0.872 14.739 -25.849 1.00 0.00 H new ATOM 0 HB THR A 34 -1.444 15.383 -22.930 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.683 15.493 -23.976 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.510 17.430 -23.802 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.772 17.380 -24.182 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.970 17.006 -25.444 1.00 0.00 H new ATOM 461 N ARG A 35 1.147 16.185 -25.546 1.00 0.00 N ATOM 462 CA ARG A 35 2.417 16.895 -25.459 1.00 0.00 C ATOM 463 C ARG A 35 2.645 17.431 -24.049 1.00 0.00 C ATOM 464 O ARG A 35 3.739 17.315 -23.497 1.00 0.00 O ATOM 465 CB ARG A 35 2.452 18.046 -26.466 1.00 0.00 C ATOM 466 CG ARG A 35 3.847 18.595 -26.716 1.00 0.00 C ATOM 467 CD ARG A 35 4.518 17.897 -27.889 1.00 0.00 C ATOM 468 NE ARG A 35 5.748 18.571 -28.296 1.00 0.00 N ATOM 469 CZ ARG A 35 6.928 18.352 -27.729 1.00 0.00 C ATOM 470 NH1 ARG A 35 7.039 17.481 -26.735 1.00 0.00 N ATOM 471 NH2 ARG A 35 8.002 19.005 -28.156 1.00 0.00 N ATOM 0 H ARG A 35 0.624 16.359 -26.404 1.00 0.00 H new ATOM 0 HA ARG A 35 3.215 16.191 -25.695 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.031 17.703 -27.411 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.813 18.852 -26.106 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.788 19.665 -26.913 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.455 18.469 -25.820 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.743 16.866 -27.617 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.828 17.861 -28.732 1.00 0.00 H new ATOM 0 HE ARG A 35 5.698 19.247 -29.058 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.216 16.977 -26.404 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.947 17.315 -26.301 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.921 19.676 -28.920 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.908 18.836 -27.720 1.00 0.00 H new ATOM 485 N LYS A 36 1.604 18.020 -23.470 1.00 0.00 N ATOM 486 CA LYS A 36 1.688 18.575 -22.124 1.00 0.00 C ATOM 487 C LYS A 36 1.674 17.465 -21.077 1.00 0.00 C ATOM 488 O LYS A 36 2.249 17.608 -19.998 1.00 0.00 O ATOM 489 CB LYS A 36 0.528 19.541 -21.875 1.00 0.00 C ATOM 490 CG LYS A 36 0.841 20.978 -22.256 1.00 0.00 C ATOM 491 CD LYS A 36 0.038 21.963 -21.423 1.00 0.00 C ATOM 492 CE LYS A 36 0.636 22.139 -20.036 1.00 0.00 C ATOM 493 NZ LYS A 36 1.806 23.061 -20.049 1.00 0.00 N ATOM 0 H LYS A 36 0.691 18.125 -23.913 1.00 0.00 H new ATOM 0 HA LYS A 36 2.629 19.119 -22.040 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.341 19.205 -22.440 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.256 19.505 -20.820 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.906 21.168 -22.120 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.623 21.131 -23.313 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.004 22.927 -21.930 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.990 21.613 -21.335 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.125 22.527 -19.359 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.943 21.168 -19.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.185 23.155 -19.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.543 22.678 -20.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.508 23.995 -20.396 1.00 0.00 H new ATOM 507 N THR A 37 1.013 16.359 -21.403 1.00 0.00 N ATOM 508 CA THR A 37 0.924 15.225 -20.491 1.00 0.00 C ATOM 509 C THR A 37 0.354 15.648 -19.142 1.00 0.00 C ATOM 510 O THR A 37 0.772 15.150 -18.096 1.00 0.00 O ATOM 511 CB THR A 37 2.301 14.571 -20.272 1.00 0.00 C ATOM 512 OG1 THR A 37 3.016 15.267 -19.244 1.00 0.00 O ATOM 513 CG2 THR A 37 3.115 14.579 -21.557 1.00 0.00 C ATOM 0 H THR A 37 0.531 16.224 -22.292 1.00 0.00 H new ATOM 0 HA THR A 37 0.255 14.499 -20.953 1.00 0.00 H new ATOM 0 HB THR A 37 2.143 13.536 -19.968 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.095 16.214 -19.484 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.083 14.112 -21.377 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.582 14.024 -22.329 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.264 15.607 -21.887 1.00 0.00 H new ATOM 521 N LEU A 38 -0.603 16.569 -19.172 1.00 0.00 N ATOM 522 CA LEU A 38 -1.231 17.060 -17.950 1.00 0.00 C ATOM 523 C LEU A 38 -2.725 16.752 -17.946 1.00 0.00 C ATOM 524 O LEU A 38 -3.215 16.013 -17.091 1.00 0.00 O ATOM 525 CB LEU A 38 -1.009 18.566 -17.808 1.00 0.00 C ATOM 526 CG LEU A 38 -0.852 19.089 -16.379 1.00 0.00 C ATOM 527 CD1 LEU A 38 -2.001 18.609 -15.507 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.483 18.653 -15.794 1.00 0.00 C ATOM 0 H LEU A 38 -0.961 16.991 -20.029 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.770 16.551 -17.104 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.117 18.836 -18.373 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.849 19.082 -18.272 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.874 20.178 -16.407 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.873 18.990 -14.494 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.944 18.973 -15.915 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.011 17.519 -15.486 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.577 19.034 -14.777 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.536 17.564 -15.780 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.294 19.047 -16.406 1.00 0.00 H new ATOM 540 N VAL A 39 -3.445 17.323 -18.907 1.00 0.00 N ATOM 541 CA VAL A 39 -4.883 17.107 -19.016 1.00 0.00 C ATOM 542 C VAL A 39 -5.189 15.753 -19.647 1.00 0.00 C ATOM 543 O VAL A 39 -6.113 15.057 -19.229 1.00 0.00 O ATOM 544 CB VAL A 39 -5.554 18.214 -19.850 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.495 19.546 -19.118 1.00 0.00 C ATOM 546 CG2 VAL A 39 -4.900 18.320 -21.220 1.00 0.00 C ATOM 0 H VAL A 39 -3.056 17.939 -19.621 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.285 17.131 -18.003 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.602 17.951 -19.992 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.974 20.315 -19.723 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.014 19.460 -18.163 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.454 19.819 -18.942 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.387 19.107 -21.796 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.843 18.558 -21.101 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.001 17.371 -21.746 1.00 0.00 H new ATOM 556 N GLY A 40 -4.406 15.386 -20.656 1.00 0.00 N ATOM 557 CA GLY A 40 -4.609 14.116 -21.329 1.00 0.00 C ATOM 558 C GLY A 40 -4.009 12.953 -20.565 1.00 0.00 C ATOM 559 O GLY A 40 -4.511 11.830 -20.634 1.00 0.00 O ATOM 0 H GLY A 40 -3.634 15.945 -21.020 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.677 13.946 -21.463 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.166 14.161 -22.324 1.00 0.00 H new ATOM 563 N LEU A 41 -2.931 13.219 -19.835 1.00 0.00 N ATOM 564 CA LEU A 41 -2.260 12.185 -19.056 1.00 0.00 C ATOM 565 C LEU A 41 -3.196 11.605 -18.000 1.00 0.00 C ATOM 566 O LEU A 41 -3.078 10.439 -17.623 1.00 0.00 O ATOM 567 CB LEU A 41 -1.008 12.755 -18.386 1.00 0.00 C ATOM 568 CG LEU A 41 -0.384 11.894 -17.287 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.571 10.873 -17.886 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.335 12.768 -16.270 1.00 0.00 C ATOM 0 H LEU A 41 -2.503 14.142 -19.767 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.968 11.384 -19.736 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.256 12.928 -19.155 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.258 13.727 -17.960 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.182 11.357 -16.775 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.005 10.270 -17.089 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.027 10.227 -18.575 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.366 11.390 -18.424 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.773 12.139 -15.495 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.123 13.332 -16.768 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.376 13.459 -15.817 1.00 0.00 H new ATOM 582 N LYS A 42 -4.127 12.426 -17.528 1.00 0.00 N ATOM 583 CA LYS A 42 -5.087 11.996 -16.518 1.00 0.00 C ATOM 584 C LYS A 42 -6.193 11.152 -17.143 1.00 0.00 C ATOM 585 O LYS A 42 -6.532 10.081 -16.639 1.00 0.00 O ATOM 586 CB LYS A 42 -5.695 13.210 -15.812 1.00 0.00 C ATOM 587 CG LYS A 42 -4.759 13.861 -14.808 1.00 0.00 C ATOM 588 CD LYS A 42 -5.233 15.254 -14.427 1.00 0.00 C ATOM 589 CE LYS A 42 -6.493 15.201 -13.578 1.00 0.00 C ATOM 590 NZ LYS A 42 -7.075 16.555 -13.364 1.00 0.00 N ATOM 0 H LYS A 42 -4.238 13.394 -17.829 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.557 11.386 -15.786 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.983 13.949 -16.560 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.607 12.903 -15.300 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.694 13.241 -13.914 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.755 13.919 -15.229 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.445 15.770 -13.879 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.425 15.834 -15.330 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.231 14.561 -14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.262 14.748 -12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.932 16.476 -12.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.381 17.159 -12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.319 16.977 -14.283 1.00 0.00 H new ATOM 604 N LYS A 43 -6.752 11.640 -18.246 1.00 0.00 N ATOM 605 CA LYS A 43 -7.818 10.930 -18.943 1.00 0.00 C ATOM 606 C LYS A 43 -7.272 9.704 -19.667 1.00 0.00 C ATOM 607 O LYS A 43 -8.020 8.787 -20.007 1.00 0.00 O ATOM 608 CB LYS A 43 -8.509 11.860 -19.942 1.00 0.00 C ATOM 609 CG LYS A 43 -9.196 13.048 -19.292 1.00 0.00 C ATOM 610 CD LYS A 43 -9.795 13.983 -20.330 1.00 0.00 C ATOM 611 CE LYS A 43 -8.812 15.071 -20.733 1.00 0.00 C ATOM 612 NZ LYS A 43 -8.768 16.176 -19.736 1.00 0.00 N ATOM 0 H LYS A 43 -6.484 12.525 -18.676 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.545 10.598 -18.202 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.771 12.224 -20.657 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.246 11.289 -20.507 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.981 12.694 -18.624 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.478 13.594 -18.680 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.088 13.411 -21.211 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.701 14.439 -19.931 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.817 14.639 -20.841 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.093 15.472 -21.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.856 17.089 -20.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.553 16.067 -19.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.864 16.144 -19.223 1.00 0.00 H new ATOM 626 N HIS A 44 -5.963 9.693 -19.899 1.00 0.00 N ATOM 627 CA HIS A 44 -5.316 8.578 -20.582 1.00 0.00 C ATOM 628 C HIS A 44 -4.913 7.493 -19.588 1.00 0.00 C ATOM 629 O HIS A 44 -5.262 6.324 -19.754 1.00 0.00 O ATOM 630 CB HIS A 44 -4.087 9.065 -21.349 1.00 0.00 C ATOM 631 CG HIS A 44 -3.086 7.986 -21.625 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.848 7.486 -22.888 1.00 0.00 N ATOM 633 CD2 HIS A 44 -2.259 7.311 -20.793 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.919 6.549 -22.821 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.545 6.424 -21.560 1.00 0.00 N ATOM 0 H HIS A 44 -5.329 10.444 -19.624 1.00 0.00 H new ATOM 0 HA HIS A 44 -6.030 8.153 -21.288 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.409 9.501 -22.295 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.605 9.859 -20.779 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.176 7.445 -19.725 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.532 5.982 -23.655 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.840 5.774 -21.213 1.00 0.00 H new ATOM 643 N MET A 45 -4.176 7.888 -18.555 1.00 0.00 N ATOM 644 CA MET A 45 -3.726 6.948 -17.534 1.00 0.00 C ATOM 645 C MET A 45 -4.889 6.103 -17.022 1.00 0.00 C ATOM 646 O MET A 45 -4.688 5.009 -16.498 1.00 0.00 O ATOM 647 CB MET A 45 -3.075 7.699 -16.371 1.00 0.00 C ATOM 648 CG MET A 45 -4.073 8.421 -15.479 1.00 0.00 C ATOM 649 SD MET A 45 -3.445 8.690 -13.810 1.00 0.00 S ATOM 650 CE MET A 45 -1.956 9.624 -14.155 1.00 0.00 C ATOM 0 H MET A 45 -3.878 8.851 -18.403 1.00 0.00 H new ATOM 0 HA MET A 45 -2.989 6.284 -17.986 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.505 6.993 -15.767 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.365 8.424 -16.769 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.326 9.382 -15.927 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.994 7.841 -15.427 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.142 9.256 -13.530 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.688 9.507 -15.205 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.130 10.678 -13.940 1.00 0.00 H new ATOM 660 N GLU A 46 -6.104 6.620 -17.178 1.00 0.00 N ATOM 661 CA GLU A 46 -7.297 5.912 -16.730 1.00 0.00 C ATOM 662 C GLU A 46 -7.539 4.665 -17.576 1.00 0.00 C ATOM 663 O GLU A 46 -8.037 3.653 -17.082 1.00 0.00 O ATOM 664 CB GLU A 46 -8.518 6.832 -16.797 1.00 0.00 C ATOM 665 CG GLU A 46 -9.295 6.718 -18.098 1.00 0.00 C ATOM 666 CD GLU A 46 -10.369 5.649 -18.044 1.00 0.00 C ATOM 667 OE1 GLU A 46 -10.243 4.721 -17.219 1.00 0.00 O ATOM 668 OE2 GLU A 46 -11.337 5.742 -18.828 1.00 0.00 O ATOM 0 H GLU A 46 -6.288 7.525 -17.611 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.139 5.604 -15.696 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.183 6.601 -15.965 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.192 7.864 -16.667 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.755 7.679 -18.327 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.604 6.493 -18.911 1.00 0.00 H new ATOM 675 N VAL A 47 -7.184 4.745 -18.854 1.00 0.00 N ATOM 676 CA VAL A 47 -7.362 3.624 -19.769 1.00 0.00 C ATOM 677 C VAL A 47 -6.036 2.925 -20.045 1.00 0.00 C ATOM 678 O VAL A 47 -6.007 1.760 -20.443 1.00 0.00 O ATOM 679 CB VAL A 47 -7.976 4.082 -21.105 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.429 4.488 -20.914 1.00 0.00 C ATOM 681 CG2 VAL A 47 -7.168 5.226 -21.698 1.00 0.00 C ATOM 0 H VAL A 47 -6.771 5.575 -19.280 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.044 2.925 -19.285 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.946 3.246 -21.804 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.846 4.809 -21.869 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.998 3.638 -20.537 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.486 5.309 -20.199 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.616 5.537 -22.642 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.164 6.066 -21.004 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.144 4.896 -21.874 1.00 0.00 H new ATOM 691 N CYS A 48 -4.938 3.643 -19.831 1.00 0.00 N ATOM 692 CA CYS A 48 -3.607 3.092 -20.056 1.00 0.00 C ATOM 693 C CYS A 48 -3.568 1.606 -19.713 1.00 0.00 C ATOM 694 O CYS A 48 -3.127 0.785 -20.517 1.00 0.00 O ATOM 695 CB CYS A 48 -2.572 3.847 -19.220 1.00 0.00 C ATOM 696 SG CYS A 48 -0.845 3.434 -19.625 1.00 0.00 S ATOM 0 H CYS A 48 -4.944 4.608 -19.502 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.366 3.209 -21.113 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.720 4.918 -19.358 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.747 3.634 -18.165 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.105 4.496 -19.506 1.00 0.00 H new ATOM 701 N GLN A 49 -4.033 1.268 -18.514 1.00 0.00 N ATOM 702 CA GLN A 49 -4.051 -0.119 -18.065 1.00 0.00 C ATOM 703 C GLN A 49 -4.547 -1.043 -19.172 1.00 0.00 C ATOM 704 O GLN A 49 -3.943 -2.080 -19.447 1.00 0.00 O ATOM 705 CB GLN A 49 -4.938 -0.264 -16.827 1.00 0.00 C ATOM 706 CG GLN A 49 -4.711 -1.561 -16.066 1.00 0.00 C ATOM 707 CD GLN A 49 -5.540 -1.646 -14.799 1.00 0.00 C ATOM 708 OE1 GLN A 49 -5.906 -0.627 -14.213 1.00 0.00 O ATOM 709 NE2 GLN A 49 -5.841 -2.866 -14.370 1.00 0.00 N ATOM 0 H GLN A 49 -4.402 1.936 -17.837 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.031 -0.405 -17.808 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.755 0.577 -16.158 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.983 -0.208 -17.130 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.954 -2.404 -16.712 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.655 -1.649 -15.811 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.517 -3.683 -14.887 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.397 -2.986 -13.523 1.00 0.00 H new ATOM 718 N LYS A 50 -5.651 -0.661 -19.805 1.00 0.00 N ATOM 719 CA LYS A 50 -6.229 -1.454 -20.883 1.00 0.00 C ATOM 720 C LYS A 50 -5.181 -1.775 -21.944 1.00 0.00 C ATOM 721 O LYS A 50 -5.132 -2.891 -22.465 1.00 0.00 O ATOM 722 CB LYS A 50 -7.403 -0.708 -21.521 1.00 0.00 C ATOM 723 CG LYS A 50 -7.015 0.106 -22.743 1.00 0.00 C ATOM 724 CD LYS A 50 -8.236 0.680 -23.441 1.00 0.00 C ATOM 725 CE LYS A 50 -7.890 1.207 -24.826 1.00 0.00 C ATOM 726 NZ LYS A 50 -7.817 0.113 -25.833 1.00 0.00 N ATOM 0 H LYS A 50 -6.164 0.194 -19.590 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.590 -2.390 -20.458 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.170 -1.429 -21.804 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.847 -0.045 -20.779 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.350 0.917 -22.445 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.459 -0.523 -23.439 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.004 -0.089 -23.525 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.656 1.485 -22.838 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.639 1.936 -25.135 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.934 1.730 -24.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.579 0.513 -26.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.084 -0.569 -25.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.737 -0.370 -25.889 1.00 0.00 H new ATOM 740 N LEU A 51 -4.344 -0.793 -22.259 1.00 0.00 N ATOM 741 CA LEU A 51 -3.296 -0.972 -23.258 1.00 0.00 C ATOM 742 C LEU A 51 -2.142 -1.795 -22.694 1.00 0.00 C ATOM 743 O LEU A 51 -1.707 -2.770 -23.305 1.00 0.00 O ATOM 744 CB LEU A 51 -2.782 0.388 -23.735 1.00 0.00 C ATOM 745 CG LEU A 51 -3.527 1.010 -24.916 1.00 0.00 C ATOM 746 CD1 LEU A 51 -3.049 2.433 -25.160 1.00 0.00 C ATOM 747 CD2 LEU A 51 -3.346 0.163 -26.167 1.00 0.00 C ATOM 0 H LEU A 51 -4.370 0.135 -21.837 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.722 -1.510 -24.105 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.824 1.084 -22.897 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.732 0.282 -24.009 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.589 1.042 -24.674 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.591 2.859 -26.004 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.232 3.036 -24.270 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.982 2.426 -25.380 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.883 0.621 -26.997 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.286 0.098 -26.412 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.739 -0.838 -25.989 1.00 0.00 H new ATOM 759 N GLN A 52 -1.653 -1.396 -21.524 1.00 0.00 N ATOM 760 CA GLN A 52 -0.551 -2.098 -20.878 1.00 0.00 C ATOM 761 C GLN A 52 -0.765 -3.607 -20.924 1.00 0.00 C ATOM 762 O GLN A 52 0.093 -4.352 -21.398 1.00 0.00 O ATOM 763 CB GLN A 52 -0.405 -1.636 -19.427 1.00 0.00 C ATOM 764 CG GLN A 52 0.676 -2.378 -18.658 1.00 0.00 C ATOM 765 CD GLN A 52 0.196 -3.708 -18.112 1.00 0.00 C ATOM 766 OE1 GLN A 52 0.237 -4.727 -18.802 1.00 0.00 O ATOM 767 NE2 GLN A 52 -0.264 -3.705 -16.866 1.00 0.00 N ATOM 0 H GLN A 52 -2.003 -0.591 -21.005 1.00 0.00 H new ATOM 0 HA GLN A 52 0.364 -1.863 -21.421 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.181 -0.569 -19.415 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.358 -1.767 -18.915 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.532 -2.546 -19.312 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.023 -1.755 -17.833 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.280 -2.837 -16.330 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.602 -4.571 -16.445 1.00 0.00 H new ATOM 776 N ASP A 53 -1.915 -4.052 -20.428 1.00 0.00 N ATOM 777 CA ASP A 53 -2.243 -5.473 -20.413 1.00 0.00 C ATOM 778 C ASP A 53 -2.169 -6.062 -21.818 1.00 0.00 C ATOM 779 O ASP A 53 -1.450 -7.031 -22.059 1.00 0.00 O ATOM 780 CB ASP A 53 -3.639 -5.690 -19.828 1.00 0.00 C ATOM 781 CG ASP A 53 -3.646 -5.633 -18.313 1.00 0.00 C ATOM 782 OD1 ASP A 53 -2.676 -6.121 -17.696 1.00 0.00 O ATOM 783 OD2 ASP A 53 -4.623 -5.102 -17.743 1.00 0.00 O ATOM 0 H ASP A 53 -2.635 -3.449 -20.031 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.512 -5.983 -19.786 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.316 -4.932 -20.221 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.020 -6.658 -20.154 1.00 0.00 H new ATOM 788 N ALA A 54 -2.920 -5.470 -22.742 1.00 0.00 N ATOM 789 CA ALA A 54 -2.939 -5.936 -24.124 1.00 0.00 C ATOM 790 C ALA A 54 -1.543 -6.339 -24.587 1.00 0.00 C ATOM 791 O ALA A 54 -1.352 -7.418 -25.150 1.00 0.00 O ATOM 792 CB ALA A 54 -3.509 -4.860 -25.035 1.00 0.00 C ATOM 0 H ALA A 54 -3.523 -4.668 -22.559 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.579 -6.817 -24.176 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.517 -5.221 -26.063 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.527 -4.623 -24.725 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.892 -3.964 -24.970 1.00 0.00 H new ATOM 798 N LEU A 55 -0.571 -5.466 -24.347 1.00 0.00 N ATOM 799 CA LEU A 55 0.809 -5.731 -24.741 1.00 0.00 C ATOM 800 C LEU A 55 1.340 -6.986 -24.055 1.00 0.00 C ATOM 801 O LEU A 55 2.073 -7.772 -24.655 1.00 0.00 O ATOM 802 CB LEU A 55 1.697 -4.534 -24.397 1.00 0.00 C ATOM 803 CG LEU A 55 1.765 -3.425 -25.447 1.00 0.00 C ATOM 804 CD1 LEU A 55 2.471 -3.919 -26.700 1.00 0.00 C ATOM 805 CD2 LEU A 55 0.368 -2.922 -25.783 1.00 0.00 C ATOM 0 H LEU A 55 -0.712 -4.569 -23.882 1.00 0.00 H new ATOM 0 HA LEU A 55 0.828 -5.893 -25.819 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.342 -4.100 -23.462 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.708 -4.898 -24.216 1.00 0.00 H new ATOM 0 HG LEU A 55 2.339 -2.595 -25.035 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.510 -3.116 -27.436 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.485 -4.230 -26.448 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.925 -4.766 -27.115 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.436 -2.133 -26.532 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.230 -3.744 -26.175 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.103 -2.528 -24.883 1.00 0.00 H new ATOM 817 N LYS A 56 0.962 -7.170 -22.794 1.00 0.00 N ATOM 818 CA LYS A 56 1.396 -8.331 -22.026 1.00 0.00 C ATOM 819 C LYS A 56 0.949 -9.625 -22.698 1.00 0.00 C ATOM 820 O LYS A 56 -0.213 -9.770 -23.080 1.00 0.00 O ATOM 821 CB LYS A 56 0.838 -8.264 -20.603 1.00 0.00 C ATOM 822 CG LYS A 56 1.429 -9.305 -19.668 1.00 0.00 C ATOM 823 CD LYS A 56 1.234 -8.921 -18.211 1.00 0.00 C ATOM 824 CE LYS A 56 2.244 -9.617 -17.311 1.00 0.00 C ATOM 825 NZ LYS A 56 1.950 -11.070 -17.168 1.00 0.00 N ATOM 0 H LYS A 56 0.356 -6.529 -22.282 1.00 0.00 H new ATOM 0 HA LYS A 56 2.485 -8.321 -21.984 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.027 -7.271 -20.194 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.244 -8.393 -20.639 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.961 -10.272 -19.856 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.493 -9.420 -19.876 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.332 -7.841 -18.102 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.224 -9.183 -17.897 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.246 -9.488 -17.721 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.239 -9.147 -16.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.574 -11.481 -16.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.958 -11.197 -16.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.112 -11.548 -18.077 1.00 0.00 H new ATOM 839 N CYS A 57 1.878 -10.565 -22.839 1.00 0.00 N ATOM 840 CA CYS A 57 1.581 -11.848 -23.463 1.00 0.00 C ATOM 841 C CYS A 57 0.701 -12.703 -22.556 1.00 0.00 C ATOM 842 O CYS A 57 0.285 -12.263 -21.485 1.00 0.00 O ATOM 843 CB CYS A 57 2.877 -12.594 -23.785 1.00 0.00 C ATOM 844 SG CYS A 57 2.767 -13.680 -25.244 1.00 0.00 S ATOM 0 H CYS A 57 2.844 -10.461 -22.529 1.00 0.00 H new ATOM 0 HA CYS A 57 1.040 -11.657 -24.390 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.672 -11.866 -23.946 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.163 -13.193 -22.920 1.00 0.00 H new ATOM 0 HG CYS A 57 3.794 -14.477 -25.270 1.00 0.00 H new ATOM 849 N GLN A 58 0.421 -13.926 -22.995 1.00 0.00 N ATOM 850 CA GLN A 58 -0.410 -14.842 -22.223 1.00 0.00 C ATOM 851 C GLN A 58 0.286 -16.188 -22.043 1.00 0.00 C ATOM 852 O GLN A 58 0.254 -16.775 -20.961 1.00 0.00 O ATOM 853 CB GLN A 58 -1.761 -15.042 -22.911 1.00 0.00 C ATOM 854 CG GLN A 58 -2.835 -15.603 -21.993 1.00 0.00 C ATOM 855 CD GLN A 58 -4.236 -15.238 -22.441 1.00 0.00 C ATOM 856 OE1 GLN A 58 -4.434 -14.262 -23.167 1.00 0.00 O ATOM 857 NE2 GLN A 58 -5.219 -16.020 -22.012 1.00 0.00 N ATOM 0 H GLN A 58 0.757 -14.305 -23.880 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.573 -14.403 -21.239 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.100 -14.087 -23.312 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.631 -15.715 -23.759 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.742 -16.688 -21.953 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.673 -15.231 -20.981 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.011 -16.818 -21.412 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.183 -15.823 -22.282 1.00 0.00 H new ATOM 866 N HIS A 59 0.913 -16.671 -23.110 1.00 0.00 N ATOM 867 CA HIS A 59 1.617 -17.948 -23.069 1.00 0.00 C ATOM 868 C HIS A 59 2.887 -17.842 -22.231 1.00 0.00 C ATOM 869 O HIS A 59 3.254 -18.778 -21.519 1.00 0.00 O ATOM 870 CB HIS A 59 1.964 -18.409 -24.485 1.00 0.00 C ATOM 871 CG HIS A 59 0.763 -18.652 -25.347 1.00 0.00 C ATOM 872 ND1 HIS A 59 -0.318 -19.403 -24.936 1.00 0.00 N ATOM 873 CD2 HIS A 59 0.477 -18.238 -26.603 1.00 0.00 C ATOM 874 CE1 HIS A 59 -1.217 -19.441 -25.903 1.00 0.00 C ATOM 875 NE2 HIS A 59 -0.760 -18.742 -26.926 1.00 0.00 N ATOM 0 H HIS A 59 0.948 -16.198 -24.013 1.00 0.00 H new ATOM 0 HA HIS A 59 0.958 -18.683 -22.607 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.595 -17.657 -24.959 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.550 -19.326 -24.426 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.104 -17.626 -27.234 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.165 -19.956 -25.864 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.246 -18.599 -27.811 1.00 0.00 H new ATOM 883 N CYS A 60 3.556 -16.697 -22.320 1.00 0.00 N ATOM 884 CA CYS A 60 4.786 -16.468 -21.572 1.00 0.00 C ATOM 885 C CYS A 60 4.565 -15.442 -20.464 1.00 0.00 C ATOM 886 O CYS A 60 5.370 -15.329 -19.539 1.00 0.00 O ATOM 887 CB CYS A 60 5.897 -15.992 -22.509 1.00 0.00 C ATOM 888 SG CYS A 60 5.803 -14.223 -22.936 1.00 0.00 S ATOM 0 H CYS A 60 3.266 -15.912 -22.904 1.00 0.00 H new ATOM 0 HA CYS A 60 5.085 -17.411 -21.116 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.862 -16.191 -22.042 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.860 -16.579 -23.427 1.00 0.00 H new ATOM 0 HG CYS A 60 5.584 -14.095 -24.211 1.00 0.00 H new ATOM 893 N ARG A 61 3.469 -14.698 -20.564 1.00 0.00 N ATOM 894 CA ARG A 61 3.142 -13.681 -19.572 1.00 0.00 C ATOM 895 C ARG A 61 4.255 -12.642 -19.472 1.00 0.00 C ATOM 896 O ARG A 61 4.723 -12.320 -18.380 1.00 0.00 O ATOM 897 CB ARG A 61 2.910 -14.327 -18.205 1.00 0.00 C ATOM 898 CG ARG A 61 1.586 -15.067 -18.099 1.00 0.00 C ATOM 899 CD ARG A 61 0.458 -14.133 -17.689 1.00 0.00 C ATOM 900 NE ARG A 61 -0.844 -14.617 -18.140 1.00 0.00 N ATOM 901 CZ ARG A 61 -1.931 -13.855 -18.198 1.00 0.00 C ATOM 902 NH1 ARG A 61 -1.872 -12.581 -17.835 1.00 0.00 N ATOM 903 NH2 ARG A 61 -3.080 -14.368 -18.619 1.00 0.00 N ATOM 0 H ARG A 61 2.792 -14.780 -21.322 1.00 0.00 H new ATOM 0 HA ARG A 61 2.227 -13.180 -19.890 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.723 -15.023 -17.998 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.948 -13.555 -17.436 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.348 -15.528 -19.057 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.676 -15.873 -17.371 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.450 -14.029 -16.604 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.640 -13.141 -18.103 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.923 -15.593 -18.426 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.991 -12.184 -17.510 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.708 -11.998 -17.881 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.129 -15.348 -18.898 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.914 -13.783 -18.663 1.00 0.00 H new ATOM 917 N LYS A 62 4.676 -12.120 -20.620 1.00 0.00 N ATOM 918 CA LYS A 62 5.733 -11.117 -20.663 1.00 0.00 C ATOM 919 C LYS A 62 5.154 -9.726 -20.901 1.00 0.00 C ATOM 920 O LYS A 62 4.283 -9.545 -21.752 1.00 0.00 O ATOM 921 CB LYS A 62 6.741 -11.456 -21.763 1.00 0.00 C ATOM 922 CG LYS A 62 7.918 -10.498 -21.827 1.00 0.00 C ATOM 923 CD LYS A 62 9.096 -11.006 -21.013 1.00 0.00 C ATOM 924 CE LYS A 62 10.216 -9.979 -20.952 1.00 0.00 C ATOM 925 NZ LYS A 62 11.084 -10.033 -22.161 1.00 0.00 N ATOM 0 H LYS A 62 4.301 -12.376 -21.533 1.00 0.00 H new ATOM 0 HA LYS A 62 6.241 -11.120 -19.699 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.115 -12.467 -21.602 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.230 -11.455 -22.726 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.223 -10.364 -22.865 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.613 -9.520 -21.455 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.765 -11.245 -20.002 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.472 -11.930 -21.453 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.789 -8.981 -20.856 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.821 -10.154 -20.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.835 -9.318 -22.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.512 -10.978 -22.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.512 -9.841 -23.008 1.00 0.00 H new ATOM 939 N GLN A 63 5.644 -8.749 -20.146 1.00 0.00 N ATOM 940 CA GLN A 63 5.175 -7.374 -20.277 1.00 0.00 C ATOM 941 C GLN A 63 5.960 -6.631 -21.352 1.00 0.00 C ATOM 942 O GLN A 63 7.191 -6.653 -21.363 1.00 0.00 O ATOM 943 CB GLN A 63 5.298 -6.642 -18.940 1.00 0.00 C ATOM 944 CG GLN A 63 4.777 -5.214 -18.978 1.00 0.00 C ATOM 945 CD GLN A 63 3.265 -5.143 -18.896 1.00 0.00 C ATOM 946 OE1 GLN A 63 2.693 -5.081 -17.807 1.00 0.00 O ATOM 947 NE2 GLN A 63 2.608 -5.151 -20.050 1.00 0.00 N ATOM 0 H GLN A 63 6.365 -8.883 -19.437 1.00 0.00 H new ATOM 0 HA GLN A 63 4.126 -7.401 -20.573 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.752 -7.199 -18.179 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.345 -6.630 -18.637 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.209 -4.651 -18.150 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.110 -4.734 -19.898 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.122 -5.203 -20.929 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.589 -5.105 -20.057 1.00 0.00 H new ATOM 956 N PHE A 64 5.240 -5.973 -22.255 1.00 0.00 N ATOM 957 CA PHE A 64 5.870 -5.224 -23.336 1.00 0.00 C ATOM 958 C PHE A 64 5.375 -3.781 -23.358 1.00 0.00 C ATOM 959 O PHE A 64 4.223 -3.502 -23.025 1.00 0.00 O ATOM 960 CB PHE A 64 5.585 -5.893 -24.683 1.00 0.00 C ATOM 961 CG PHE A 64 6.224 -7.244 -24.828 1.00 0.00 C ATOM 962 CD1 PHE A 64 7.522 -7.364 -25.300 1.00 0.00 C ATOM 963 CD2 PHE A 64 5.529 -8.394 -24.493 1.00 0.00 C ATOM 964 CE1 PHE A 64 8.112 -8.606 -25.436 1.00 0.00 C ATOM 965 CE2 PHE A 64 6.114 -9.639 -24.626 1.00 0.00 C ATOM 966 CZ PHE A 64 7.408 -9.745 -25.097 1.00 0.00 C ATOM 0 H PHE A 64 4.220 -5.943 -22.259 1.00 0.00 H new ATOM 0 HA PHE A 64 6.946 -5.218 -23.161 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.507 -5.994 -24.808 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.939 -5.244 -25.484 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.078 -6.477 -25.564 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.517 -8.317 -24.123 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.123 -8.686 -25.807 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.560 -10.528 -24.362 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.868 -10.716 -25.200 1.00 0.00 H new ATOM 976 N LYS A 65 6.255 -2.866 -23.751 1.00 0.00 N ATOM 977 CA LYS A 65 5.910 -1.451 -23.817 1.00 0.00 C ATOM 978 C LYS A 65 6.006 -0.934 -25.249 1.00 0.00 C ATOM 979 O LYS A 65 6.410 0.206 -25.481 1.00 0.00 O ATOM 980 CB LYS A 65 6.832 -0.637 -22.906 1.00 0.00 C ATOM 981 CG LYS A 65 6.297 -0.466 -21.495 1.00 0.00 C ATOM 982 CD LYS A 65 7.420 -0.246 -20.496 1.00 0.00 C ATOM 983 CE LYS A 65 7.982 1.164 -20.590 1.00 0.00 C ATOM 984 NZ LYS A 65 9.081 1.390 -19.611 1.00 0.00 N ATOM 0 H LYS A 65 7.213 -3.080 -24.029 1.00 0.00 H new ATOM 0 HA LYS A 65 4.881 -1.337 -23.477 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.806 -1.125 -22.860 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.989 0.347 -23.348 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.611 0.381 -21.465 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.725 -1.350 -21.212 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.050 -0.425 -19.486 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.216 -0.969 -20.677 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.353 1.340 -21.600 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.184 1.885 -20.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.437 2.362 -19.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.721 1.247 -18.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.854 0.719 -19.795 1.00 0.00 H new ATOM 998 N SER A 66 5.631 -1.778 -26.204 1.00 0.00 N ATOM 999 CA SER A 66 5.677 -1.406 -27.614 1.00 0.00 C ATOM 1000 C SER A 66 5.020 -2.477 -28.480 1.00 0.00 C ATOM 1001 O SER A 66 5.506 -3.604 -28.570 1.00 0.00 O ATOM 1002 CB SER A 66 7.125 -1.192 -28.059 1.00 0.00 C ATOM 1003 OG SER A 66 7.187 -0.378 -29.217 1.00 0.00 O ATOM 0 H SER A 66 5.292 -2.724 -26.028 1.00 0.00 H new ATOM 0 HA SER A 66 5.125 -0.474 -27.737 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.692 -0.727 -27.253 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.593 -2.155 -28.262 1.00 0.00 H new ATOM 0 HG SER A 66 8.123 -0.255 -29.480 1.00 0.00 H new ATOM 1009 N LYS A 67 3.911 -2.116 -29.115 1.00 0.00 N ATOM 1010 CA LYS A 67 3.185 -3.042 -29.976 1.00 0.00 C ATOM 1011 C LYS A 67 4.144 -3.805 -30.885 1.00 0.00 C ATOM 1012 O LYS A 67 4.076 -5.030 -30.987 1.00 0.00 O ATOM 1013 CB LYS A 67 2.157 -2.287 -30.821 1.00 0.00 C ATOM 1014 CG LYS A 67 0.820 -2.098 -30.126 1.00 0.00 C ATOM 1015 CD LYS A 67 0.092 -0.868 -30.642 1.00 0.00 C ATOM 1016 CE LYS A 67 -1.342 -0.816 -30.138 1.00 0.00 C ATOM 1017 NZ LYS A 67 -2.207 0.026 -31.010 1.00 0.00 N ATOM 0 H LYS A 67 3.494 -1.187 -29.050 1.00 0.00 H new ATOM 0 HA LYS A 67 2.666 -3.759 -29.340 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.562 -1.310 -31.083 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.999 -2.827 -31.754 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.200 -2.981 -30.282 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.977 -2.005 -29.051 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.623 0.030 -30.325 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.096 -0.872 -31.732 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.747 -1.827 -30.092 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.356 -0.420 -29.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.176 0.036 -30.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.835 0.997 -31.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.215 -0.366 -31.973 1.00 0.00 H new ATOM 1031 N ALA A 68 5.038 -3.073 -31.542 1.00 0.00 N ATOM 1032 CA ALA A 68 6.012 -3.682 -32.439 1.00 0.00 C ATOM 1033 C ALA A 68 6.823 -4.756 -31.722 1.00 0.00 C ATOM 1034 O ALA A 68 7.138 -5.797 -32.296 1.00 0.00 O ATOM 1035 CB ALA A 68 6.935 -2.618 -33.015 1.00 0.00 C ATOM 0 H ALA A 68 5.108 -2.058 -31.470 1.00 0.00 H new ATOM 0 HA ALA A 68 5.469 -4.158 -33.255 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.658 -3.086 -33.683 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.347 -1.888 -33.571 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.463 -2.116 -32.204 1.00 0.00 H new ATOM 1041 N GLY A 69 7.159 -4.495 -30.462 1.00 0.00 N ATOM 1042 CA GLY A 69 7.932 -5.449 -29.687 1.00 0.00 C ATOM 1043 C GLY A 69 7.221 -6.778 -29.530 1.00 0.00 C ATOM 1044 O GLY A 69 7.816 -7.837 -29.738 1.00 0.00 O ATOM 0 H GLY A 69 6.910 -3.640 -29.964 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.895 -5.610 -30.171 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.137 -5.031 -28.701 1.00 0.00 H new ATOM 1048 N LEU A 70 5.946 -6.726 -29.162 1.00 0.00 N ATOM 1049 CA LEU A 70 5.153 -7.936 -28.975 1.00 0.00 C ATOM 1050 C LEU A 70 4.977 -8.681 -30.295 1.00 0.00 C ATOM 1051 O LEU A 70 5.120 -9.901 -30.354 1.00 0.00 O ATOM 1052 CB LEU A 70 3.785 -7.588 -28.387 1.00 0.00 C ATOM 1053 CG LEU A 70 2.865 -8.770 -28.081 1.00 0.00 C ATOM 1054 CD1 LEU A 70 3.416 -9.591 -26.926 1.00 0.00 C ATOM 1055 CD2 LEU A 70 1.457 -8.284 -27.769 1.00 0.00 C ATOM 0 H LEU A 70 5.439 -5.859 -28.987 1.00 0.00 H new ATOM 0 HA LEU A 70 5.685 -8.585 -28.280 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.940 -7.026 -27.466 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.271 -6.924 -29.082 1.00 0.00 H new ATOM 0 HG LEU A 70 2.820 -9.408 -28.964 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.748 -10.428 -26.723 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.404 -9.971 -27.188 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.492 -8.964 -26.038 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.816 -9.139 -27.554 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.484 -7.623 -26.902 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.061 -7.741 -28.627 1.00 0.00 H new ATOM 1067 N ASN A 71 4.669 -7.937 -31.352 1.00 0.00 N ATOM 1068 CA ASN A 71 4.475 -8.526 -32.671 1.00 0.00 C ATOM 1069 C ASN A 71 5.687 -9.360 -33.077 1.00 0.00 C ATOM 1070 O ASN A 71 5.545 -10.437 -33.658 1.00 0.00 O ATOM 1071 CB ASN A 71 4.225 -7.431 -33.710 1.00 0.00 C ATOM 1072 CG ASN A 71 2.782 -6.963 -33.720 1.00 0.00 C ATOM 1073 OD1 ASN A 71 1.876 -7.717 -34.073 1.00 0.00 O ATOM 1074 ND2 ASN A 71 2.564 -5.712 -33.331 1.00 0.00 N ATOM 0 H ASN A 71 4.548 -6.925 -31.320 1.00 0.00 H new ATOM 0 HA ASN A 71 3.604 -9.180 -32.625 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.878 -6.583 -33.504 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.490 -7.805 -34.699 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.614 -5.341 -33.317 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.346 -5.123 -33.047 1.00 0.00 H new ATOM 1081 N TYR A 72 6.876 -8.856 -32.767 1.00 0.00 N ATOM 1082 CA TYR A 72 8.112 -9.554 -33.101 1.00 0.00 C ATOM 1083 C TYR A 72 8.395 -10.671 -32.101 1.00 0.00 C ATOM 1084 O TYR A 72 8.791 -11.773 -32.480 1.00 0.00 O ATOM 1085 CB TYR A 72 9.284 -8.571 -33.130 1.00 0.00 C ATOM 1086 CG TYR A 72 10.547 -9.153 -33.726 1.00 0.00 C ATOM 1087 CD1 TYR A 72 10.736 -9.190 -35.102 1.00 0.00 C ATOM 1088 CD2 TYR A 72 11.551 -9.664 -32.912 1.00 0.00 C ATOM 1089 CE1 TYR A 72 11.887 -9.721 -35.650 1.00 0.00 C ATOM 1090 CE2 TYR A 72 12.706 -10.195 -33.452 1.00 0.00 C ATOM 1091 CZ TYR A 72 12.869 -10.222 -34.821 1.00 0.00 C ATOM 1092 OH TYR A 72 14.018 -10.750 -35.364 1.00 0.00 O ATOM 0 H TYR A 72 7.010 -7.967 -32.285 1.00 0.00 H new ATOM 0 HA TYR A 72 7.993 -9.998 -34.089 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.994 -7.690 -33.703 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.492 -8.237 -32.114 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.970 -8.797 -35.754 1.00 0.00 H new ATOM 0 HD2 TYR A 72 11.426 -9.646 -31.839 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.018 -9.744 -36.722 1.00 0.00 H new ATOM 0 HE2 TYR A 72 13.477 -10.587 -32.806 1.00 0.00 H new ATOM 0 HH TYR A 72 14.608 -11.058 -34.645 1.00 0.00 H new ATOM 1102 N HIS A 73 8.186 -10.377 -30.821 1.00 0.00 N ATOM 1103 CA HIS A 73 8.417 -11.356 -29.765 1.00 0.00 C ATOM 1104 C HIS A 73 7.540 -12.589 -29.966 1.00 0.00 C ATOM 1105 O HIS A 73 8.041 -13.707 -30.087 1.00 0.00 O ATOM 1106 CB HIS A 73 8.139 -10.736 -28.396 1.00 0.00 C ATOM 1107 CG HIS A 73 7.545 -11.696 -27.412 1.00 0.00 C ATOM 1108 ND1 HIS A 73 8.307 -12.491 -26.583 1.00 0.00 N ATOM 1109 CD2 HIS A 73 6.254 -11.987 -27.127 1.00 0.00 C ATOM 1110 CE1 HIS A 73 7.511 -13.230 -25.831 1.00 0.00 C ATOM 1111 NE2 HIS A 73 6.260 -12.943 -26.141 1.00 0.00 N ATOM 0 H HIS A 73 7.857 -9.470 -30.491 1.00 0.00 H new ATOM 0 HA HIS A 73 9.462 -11.663 -29.811 1.00 0.00 H new ATOM 0 HB2 HIS A 73 9.070 -10.342 -27.989 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.462 -9.891 -28.520 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.326 -12.506 -26.555 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.382 -11.549 -27.589 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.829 -13.947 -25.089 1.00 0.00 H new ATOM 1119 N THR A 74 6.228 -12.377 -30.000 1.00 0.00 N ATOM 1120 CA THR A 74 5.282 -13.470 -30.184 1.00 0.00 C ATOM 1121 C THR A 74 5.809 -14.491 -31.185 1.00 0.00 C ATOM 1122 O THR A 74 5.985 -15.664 -30.855 1.00 0.00 O ATOM 1123 CB THR A 74 3.914 -12.953 -30.667 1.00 0.00 C ATOM 1124 OG1 THR A 74 3.368 -12.041 -29.708 1.00 0.00 O ATOM 1125 CG2 THR A 74 2.946 -14.106 -30.885 1.00 0.00 C ATOM 0 H THR A 74 5.797 -11.458 -29.902 1.00 0.00 H new ATOM 0 HA THR A 74 5.159 -13.948 -29.212 1.00 0.00 H new ATOM 0 HB THR A 74 4.060 -12.437 -31.616 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.839 -11.184 -29.767 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.987 -13.716 -31.226 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.350 -14.783 -31.637 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.806 -14.646 -29.948 1.00 0.00 H new ATOM 1133 N MET A 75 6.061 -14.038 -32.409 1.00 0.00 N ATOM 1134 CA MET A 75 6.571 -14.913 -33.458 1.00 0.00 C ATOM 1135 C MET A 75 7.976 -15.404 -33.122 1.00 0.00 C ATOM 1136 O MET A 75 8.273 -16.592 -33.239 1.00 0.00 O ATOM 1137 CB MET A 75 6.581 -14.182 -34.801 1.00 0.00 C ATOM 1138 CG MET A 75 6.638 -15.115 -36.000 1.00 0.00 C ATOM 1139 SD MET A 75 6.757 -14.227 -37.566 1.00 0.00 S ATOM 1140 CE MET A 75 8.414 -13.559 -37.452 1.00 0.00 C ATOM 0 H MET A 75 5.920 -13.070 -32.699 1.00 0.00 H new ATOM 0 HA MET A 75 5.911 -15.777 -33.528 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.687 -13.563 -34.875 1.00 0.00 H new ATOM 0 HB3 MET A 75 7.438 -13.510 -34.833 1.00 0.00 H new ATOM 0 HG2 MET A 75 7.496 -15.780 -35.898 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.747 -15.743 -36.010 1.00 0.00 H new ATOM 0 HE1 MET A 75 8.750 -13.249 -38.441 1.00 0.00 H new ATOM 0 HE2 MET A 75 8.414 -12.699 -36.782 1.00 0.00 H new ATOM 0 HE3 MET A 75 9.088 -14.322 -37.063 1.00 0.00 H new ATOM 1150 N ALA A 76 8.835 -14.480 -32.703 1.00 0.00 N ATOM 1151 CA ALA A 76 10.208 -14.820 -32.349 1.00 0.00 C ATOM 1152 C ALA A 76 10.253 -16.038 -31.432 1.00 0.00 C ATOM 1153 O ALA A 76 10.827 -17.068 -31.783 1.00 0.00 O ATOM 1154 CB ALA A 76 10.891 -13.632 -31.686 1.00 0.00 C ATOM 0 H ALA A 76 8.605 -13.492 -32.601 1.00 0.00 H new ATOM 0 HA ALA A 76 10.743 -15.068 -33.266 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.915 -13.899 -31.427 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.900 -12.787 -32.374 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.348 -13.358 -30.782 1.00 0.00 H new ATOM 1160 N GLU A 77 9.646 -15.911 -30.257 1.00 0.00 N ATOM 1161 CA GLU A 77 9.619 -17.002 -29.290 1.00 0.00 C ATOM 1162 C GLU A 77 8.509 -17.995 -29.621 1.00 0.00 C ATOM 1163 O GLU A 77 8.762 -19.185 -29.812 1.00 0.00 O ATOM 1164 CB GLU A 77 9.423 -16.454 -27.875 1.00 0.00 C ATOM 1165 CG GLU A 77 10.725 -16.135 -27.160 1.00 0.00 C ATOM 1166 CD GLU A 77 11.767 -17.223 -27.331 1.00 0.00 C ATOM 1167 OE1 GLU A 77 11.383 -18.410 -27.385 1.00 0.00 O ATOM 1168 OE2 GLU A 77 12.967 -16.886 -27.411 1.00 0.00 O ATOM 0 H GLU A 77 9.166 -15.064 -29.951 1.00 0.00 H new ATOM 0 HA GLU A 77 10.575 -17.522 -29.341 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.815 -15.551 -27.925 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.864 -17.182 -27.287 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.122 -15.194 -27.540 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.526 -15.992 -26.098 1.00 0.00 H new ATOM 1175 N HIS A 78 7.278 -17.498 -29.686 1.00 0.00 N ATOM 1176 CA HIS A 78 6.128 -18.341 -29.994 1.00 0.00 C ATOM 1177 C HIS A 78 5.895 -18.413 -31.500 1.00 0.00 C ATOM 1178 O HIS A 78 5.209 -17.567 -32.073 1.00 0.00 O ATOM 1179 CB HIS A 78 4.876 -17.806 -29.298 1.00 0.00 C ATOM 1180 CG HIS A 78 5.144 -17.233 -27.941 1.00 0.00 C ATOM 1181 ND1 HIS A 78 6.169 -17.670 -27.128 1.00 0.00 N ATOM 1182 CD2 HIS A 78 4.515 -16.250 -27.255 1.00 0.00 C ATOM 1183 CE1 HIS A 78 6.157 -16.982 -26.000 1.00 0.00 C ATOM 1184 NE2 HIS A 78 5.164 -16.113 -26.052 1.00 0.00 N ATOM 0 H HIS A 78 7.051 -16.516 -29.530 1.00 0.00 H new ATOM 0 HA HIS A 78 6.337 -19.346 -29.628 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.422 -17.038 -29.924 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.149 -18.613 -29.206 1.00 0.00 H new ATOM 0 HD1 HIS A 78 6.833 -18.409 -27.361 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.662 -15.680 -27.591 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.843 -17.109 -25.175 1.00 0.00 H new