USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 755 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 85 THR OG1 : rot -48:sc= 1.12 USER MOD Set 1.2: A 106 HIS : no HE2:sc= -1.53 K(o=-0.41,f=-1.1) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.0257 K(o=0.026,f=-0.82) USER MOD Single : A 39 ASN : amide:sc= -2.06! C(o=-2.1!,f=-18!) USER MOD Single : A 43 THR OG1 : rot -71:sc= 1.15 USER MOD Single : A 49 THR OG1 : rot -56:sc= 0.625 USER MOD Single : A 52 SER OG : rot 61:sc= -0.99! USER MOD Single : A 54 TYR OH : rot 173:sc= -0.824 USER MOD Single : A 63 SER OG : rot -174:sc= 0.89 USER MOD Single : A 72 GLN : amide:sc= -0.488 K(o=-0.49,f=-3.8!) USER MOD Single : A 76 TYR OH : rot 8:sc= 0.722 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -28:sc= 0.262 USER MOD Single : A 82 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.7) USER MOD Single : A 84 SER OG : rot 150:sc= -1.52 USER MOD Single : A 91 ASN : amide:sc= -0.262 K(o=-0.26,f=-0.92!) USER MOD Single : A 93 ASN : amide:sc= 0.362 X(o=0.36,f=-0.11) USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= -0.0324 (180deg=-0.24) USER MOD Single : A 103 LYS NZ :NH3+ -167:sc= -0.0224 (180deg=-0.18) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : B 227 MET CE :methyl -130:sc= -0.228 (180deg=-0.767) USER MOD Single : B 230 SER OG : rot 180:sc= 0.00424 USER MOD Single : B 244 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 249 GLN :FLIP amide:sc= -1.78 F(o=-3,f=-1.8) USER MOD Single : B 250 ASN : amide:sc= 0.726 K(o=0.73,f=-1.6) USER MOD Single : B 253 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 31 3.497 8.951 4.795 1.00 0.00 N ATOM 102 CA ALA A 31 3.196 8.389 3.480 1.00 0.00 C ATOM 103 C ALA A 31 3.025 6.891 3.543 1.00 0.00 C ATOM 104 O ALA A 31 2.710 6.261 2.537 1.00 0.00 O ATOM 105 CB ALA A 31 4.275 8.731 2.466 1.00 0.00 C ATOM 0 HA ALA A 31 2.256 8.838 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.017 8.297 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.352 9.814 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.231 8.328 2.802 1.00 0.00 H new ATOM 111 N TYR A 32 3.203 6.327 4.713 1.00 0.00 N ATOM 112 CA TYR A 32 3.171 4.892 4.854 1.00 0.00 C ATOM 113 C TYR A 32 1.903 4.461 5.564 1.00 0.00 C ATOM 114 O TYR A 32 1.405 5.170 6.452 1.00 0.00 O ATOM 115 CB TYR A 32 4.389 4.422 5.655 1.00 0.00 C ATOM 116 CG TYR A 32 5.704 5.028 5.196 1.00 0.00 C ATOM 117 CD1 TYR A 32 6.132 4.918 3.877 1.00 0.00 C ATOM 118 CD2 TYR A 32 6.516 5.708 6.091 1.00 0.00 C ATOM 119 CE1 TYR A 32 7.325 5.471 3.469 1.00 0.00 C ATOM 120 CE2 TYR A 32 7.710 6.264 5.688 1.00 0.00 C ATOM 121 CZ TYR A 32 8.108 6.142 4.376 1.00 0.00 C ATOM 122 OH TYR A 32 9.298 6.697 3.971 1.00 0.00 O ATOM 0 H TYR A 32 3.371 6.838 5.579 1.00 0.00 H new ATOM 0 HA TYR A 32 3.192 4.443 3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.236 4.667 6.706 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.458 3.336 5.587 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.519 4.390 3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.207 5.803 7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.643 5.378 2.441 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.330 6.792 6.397 1.00 0.00 H new ATOM 0 HH TYR A 32 9.730 7.137 4.733 1.00 0.00 H new ATOM 132 N ILE A 33 1.382 3.312 5.175 1.00 0.00 N ATOM 133 CA ILE A 33 0.192 2.742 5.785 1.00 0.00 C ATOM 134 C ILE A 33 0.301 1.241 5.882 1.00 0.00 C ATOM 135 O ILE A 33 1.124 0.613 5.200 1.00 0.00 O ATOM 136 CB ILE A 33 -1.116 3.076 5.025 1.00 0.00 C ATOM 137 CG1 ILE A 33 -0.985 2.740 3.537 1.00 0.00 C ATOM 138 CG2 ILE A 33 -1.516 4.523 5.237 1.00 0.00 C ATOM 139 CD1 ILE A 33 -2.273 2.861 2.773 1.00 0.00 C ATOM 0 H ILE A 33 1.773 2.744 4.423 1.00 0.00 H new ATOM 0 HA ILE A 33 0.137 3.195 6.775 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.913 2.455 5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.244 3.401 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.607 1.723 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.437 4.729 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.675 4.705 6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.724 5.177 4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.101 2.607 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.012 2.179 3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.642 3.884 2.842 1.00 0.00 H new ATOM 151 N TYR A 34 -0.523 0.691 6.725 1.00 0.00 N ATOM 152 CA TYR A 34 -0.623 -0.705 6.962 1.00 0.00 C ATOM 153 C TYR A 34 -1.954 -1.186 6.435 1.00 0.00 C ATOM 154 O TYR A 34 -3.001 -0.654 6.810 1.00 0.00 O ATOM 155 CB TYR A 34 -0.535 -0.961 8.476 1.00 0.00 C ATOM 156 CG TYR A 34 -0.876 -2.360 8.903 1.00 0.00 C ATOM 157 CD1 TYR A 34 0.053 -3.377 8.838 1.00 0.00 C ATOM 158 CD2 TYR A 34 -2.144 -2.653 9.366 1.00 0.00 C ATOM 159 CE1 TYR A 34 -0.276 -4.662 9.225 1.00 0.00 C ATOM 160 CE2 TYR A 34 -2.489 -3.922 9.752 1.00 0.00 C ATOM 161 CZ TYR A 34 -1.552 -4.929 9.681 1.00 0.00 C ATOM 162 OH TYR A 34 -1.889 -6.210 10.070 1.00 0.00 O ATOM 0 H TYR A 34 -1.172 1.238 7.290 1.00 0.00 H new ATOM 0 HA TYR A 34 0.184 -1.239 6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.477 -0.731 8.810 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.204 -0.268 8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.050 -3.167 8.480 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.880 -1.865 9.425 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.459 -5.451 9.171 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.487 -4.131 10.109 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.823 -6.227 10.366 1.00 0.00 H new ATOM 172 N ILE A 35 -1.920 -2.127 5.551 1.00 0.00 N ATOM 173 CA ILE A 35 -3.124 -2.738 5.055 1.00 0.00 C ATOM 174 C ILE A 35 -3.173 -4.144 5.628 1.00 0.00 C ATOM 175 O ILE A 35 -2.206 -4.875 5.525 1.00 0.00 O ATOM 176 CB ILE A 35 -3.091 -2.850 3.521 1.00 0.00 C ATOM 177 CG1 ILE A 35 -2.649 -1.532 2.915 1.00 0.00 C ATOM 178 CG2 ILE A 35 -4.498 -3.192 3.006 1.00 0.00 C ATOM 179 CD1 ILE A 35 -2.024 -1.682 1.559 1.00 0.00 C ATOM 0 H ILE A 35 -1.060 -2.499 5.147 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.988 -2.138 5.343 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.388 -3.633 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.510 -0.868 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.935 -1.053 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.478 -3.272 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.821 -4.141 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.194 -2.406 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.731 -0.702 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.144 -2.321 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.743 -2.133 0.875 1.00 0.00 H new ATOM 191 N GLY A 36 -4.260 -4.490 6.226 1.00 0.00 N ATOM 192 CA GLY A 36 -4.432 -5.785 6.818 1.00 0.00 C ATOM 193 C GLY A 36 -5.728 -6.412 6.371 1.00 0.00 C ATOM 194 O GLY A 36 -6.566 -5.728 5.774 1.00 0.00 O ATOM 0 H GLY A 36 -5.070 -3.878 6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.597 -6.429 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.421 -5.697 7.904 1.00 0.00 H new ATOM 198 N ASN A 37 -5.888 -7.699 6.666 1.00 0.00 N ATOM 199 CA ASN A 37 -7.064 -8.516 6.278 1.00 0.00 C ATOM 200 C ASN A 37 -7.042 -8.819 4.795 1.00 0.00 C ATOM 201 O ASN A 37 -8.081 -9.065 4.192 1.00 0.00 O ATOM 202 CB ASN A 37 -8.437 -7.891 6.662 1.00 0.00 C ATOM 203 CG ASN A 37 -8.654 -7.711 8.151 1.00 0.00 C ATOM 204 OD1 ASN A 37 -8.063 -8.412 8.976 1.00 0.00 O ATOM 205 ND2 ASN A 37 -9.542 -6.819 8.507 1.00 0.00 N ATOM 0 H ASN A 37 -5.194 -8.228 7.194 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.972 -9.436 6.855 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.528 -6.920 6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.232 -8.522 6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.764 -6.686 9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.012 -6.256 7.798 1.00 0.00 H new ATOM 212 N LEU A 38 -5.852 -8.854 4.216 1.00 0.00 N ATOM 213 CA LEU A 38 -5.701 -9.146 2.792 1.00 0.00 C ATOM 214 C LEU A 38 -6.180 -10.521 2.435 1.00 0.00 C ATOM 215 O LEU A 38 -6.034 -11.473 3.206 1.00 0.00 O ATOM 216 CB LEU A 38 -4.256 -8.982 2.287 1.00 0.00 C ATOM 217 CG LEU A 38 -3.852 -7.610 1.756 1.00 0.00 C ATOM 218 CD1 LEU A 38 -4.677 -7.250 0.534 1.00 0.00 C ATOM 219 CD2 LEU A 38 -4.001 -6.560 2.808 1.00 0.00 C ATOM 0 H LEU A 38 -4.974 -8.684 4.707 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.327 -8.404 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.582 -9.239 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.090 -9.712 1.495 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.801 -7.657 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.376 -6.268 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.515 -7.994 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.733 -7.229 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.706 -5.593 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.041 -6.515 3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.365 -6.805 3.659 1.00 0.00 H new ATOM 231 N ASN A 39 -6.768 -10.607 1.285 1.00 0.00 N ATOM 232 CA ASN A 39 -7.206 -11.857 0.747 1.00 0.00 C ATOM 233 C ASN A 39 -6.016 -12.469 0.033 1.00 0.00 C ATOM 234 O ASN A 39 -5.194 -11.747 -0.548 1.00 0.00 O ATOM 235 CB ASN A 39 -8.325 -11.630 -0.272 1.00 0.00 C ATOM 236 CG ASN A 39 -9.079 -12.899 -0.664 1.00 0.00 C ATOM 237 OD1 ASN A 39 -8.566 -14.012 -0.579 1.00 0.00 O ATOM 238 ND2 ASN A 39 -10.232 -12.729 -1.207 1.00 0.00 N ATOM 0 H ASN A 39 -6.960 -9.804 0.686 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.581 -12.503 1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.034 -10.911 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.899 -11.182 -1.170 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.743 -13.529 -1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.636 -11.794 -1.265 1.00 0.00 H new ATOM 245 N ARG A 40 -5.940 -13.766 0.053 1.00 0.00 N ATOM 246 CA ARG A 40 -4.885 -14.527 -0.594 1.00 0.00 C ATOM 247 C ARG A 40 -4.855 -14.331 -2.121 1.00 0.00 C ATOM 248 O ARG A 40 -3.861 -14.651 -2.773 1.00 0.00 O ATOM 249 CB ARG A 40 -4.993 -16.019 -0.195 1.00 0.00 C ATOM 250 CG ARG A 40 -6.366 -16.710 -0.423 1.00 0.00 C ATOM 251 CD ARG A 40 -6.680 -16.959 -1.889 1.00 0.00 C ATOM 252 NE ARG A 40 -7.831 -17.866 -2.080 1.00 0.00 N ATOM 253 CZ ARG A 40 -9.143 -17.551 -1.974 1.00 0.00 C ATOM 254 NH1 ARG A 40 -9.539 -16.368 -1.507 1.00 0.00 N ATOM 255 NH2 ARG A 40 -10.054 -18.451 -2.303 1.00 0.00 N ATOM 0 H ARG A 40 -6.625 -14.352 0.531 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.929 -14.142 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.237 -16.574 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.740 -16.107 0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.379 -17.661 0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.152 -16.091 0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.887 -16.007 -2.379 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.803 -17.384 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.613 -18.834 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.847 -15.676 -1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.534 -16.155 -1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.765 -19.372 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.046 -18.224 -2.227 1.00 0.00 H new ATOM 269 N GLU A 41 -5.952 -13.822 -2.670 1.00 0.00 N ATOM 270 CA GLU A 41 -6.062 -13.595 -4.108 1.00 0.00 C ATOM 271 C GLU A 41 -5.787 -12.128 -4.462 1.00 0.00 C ATOM 272 O GLU A 41 -5.853 -11.729 -5.638 1.00 0.00 O ATOM 273 CB GLU A 41 -7.444 -14.001 -4.619 1.00 0.00 C ATOM 274 CG GLU A 41 -8.567 -13.242 -3.979 1.00 0.00 C ATOM 275 CD GLU A 41 -9.888 -13.487 -4.645 1.00 0.00 C ATOM 276 OE1 GLU A 41 -10.534 -14.509 -4.373 1.00 0.00 O ATOM 277 OE2 GLU A 41 -10.329 -12.633 -5.434 1.00 0.00 O ATOM 0 H GLU A 41 -6.782 -13.557 -2.139 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.309 -14.215 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.482 -13.849 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.589 -15.067 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.637 -13.523 -2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.342 -12.176 -4.009 1.00 0.00 H new ATOM 284 N LEU A 42 -5.495 -11.330 -3.463 1.00 0.00 N ATOM 285 CA LEU A 42 -5.202 -9.940 -3.689 1.00 0.00 C ATOM 286 C LEU A 42 -3.723 -9.752 -3.904 1.00 0.00 C ATOM 287 O LEU A 42 -2.889 -10.123 -3.060 1.00 0.00 O ATOM 288 CB LEU A 42 -5.755 -9.042 -2.569 1.00 0.00 C ATOM 289 CG LEU A 42 -7.287 -8.890 -2.537 1.00 0.00 C ATOM 290 CD1 LEU A 42 -7.735 -8.072 -1.340 1.00 0.00 C ATOM 291 CD2 LEU A 42 -7.789 -8.242 -3.819 1.00 0.00 C ATOM 0 H LEU A 42 -5.455 -11.622 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.715 -9.624 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.427 -9.443 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.311 -8.052 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.714 -9.889 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.821 -7.983 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.417 -8.566 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.289 -7.079 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.874 -8.144 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.339 -7.255 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.514 -8.862 -4.672 1.00 0.00 H new ATOM 303 N THR A 43 -3.412 -9.237 -5.045 1.00 0.00 N ATOM 304 CA THR A 43 -2.065 -9.014 -5.472 1.00 0.00 C ATOM 305 C THR A 43 -1.740 -7.539 -5.329 1.00 0.00 C ATOM 306 O THR A 43 -2.639 -6.729 -5.010 1.00 0.00 O ATOM 307 CB THR A 43 -1.907 -9.429 -6.961 1.00 0.00 C ATOM 308 OG1 THR A 43 -2.806 -8.645 -7.784 1.00 0.00 O ATOM 309 CG2 THR A 43 -2.233 -10.906 -7.149 1.00 0.00 C ATOM 0 H THR A 43 -4.109 -8.949 -5.732 1.00 0.00 H new ATOM 0 HA THR A 43 -1.387 -9.609 -4.860 1.00 0.00 H new ATOM 0 HB THR A 43 -0.873 -9.251 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.729 -8.934 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.116 -11.174 -8.199 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.556 -11.508 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.261 -11.094 -6.839 1.00 0.00 H new ATOM 317 N GLU A 44 -0.475 -7.179 -5.553 1.00 0.00 N ATOM 318 CA GLU A 44 -0.058 -5.777 -5.543 1.00 0.00 C ATOM 319 C GLU A 44 -0.891 -5.008 -6.539 1.00 0.00 C ATOM 320 O GLU A 44 -1.309 -3.906 -6.270 1.00 0.00 O ATOM 321 CB GLU A 44 1.421 -5.576 -5.938 1.00 0.00 C ATOM 322 CG GLU A 44 2.431 -6.437 -5.219 1.00 0.00 C ATOM 323 CD GLU A 44 2.460 -7.834 -5.761 1.00 0.00 C ATOM 324 OE1 GLU A 44 3.044 -8.043 -6.843 1.00 0.00 O ATOM 325 OE2 GLU A 44 1.868 -8.737 -5.160 1.00 0.00 O ATOM 0 H GLU A 44 0.278 -7.840 -5.744 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.192 -5.424 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.517 -5.759 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.681 -4.531 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.421 -5.991 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.193 -6.465 -4.156 1.00 0.00 H new ATOM 332 N GLY A 45 -1.158 -5.645 -7.679 1.00 0.00 N ATOM 333 CA GLY A 45 -1.919 -5.031 -8.741 1.00 0.00 C ATOM 334 C GLY A 45 -3.305 -4.618 -8.309 1.00 0.00 C ATOM 335 O GLY A 45 -3.769 -3.536 -8.672 1.00 0.00 O ATOM 0 H GLY A 45 -0.850 -6.596 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.382 -4.156 -9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.997 -5.728 -9.575 1.00 0.00 H new ATOM 339 N ASP A 46 -3.952 -5.458 -7.506 1.00 0.00 N ATOM 340 CA ASP A 46 -5.298 -5.163 -7.013 1.00 0.00 C ATOM 341 C ASP A 46 -5.230 -3.989 -6.088 1.00 0.00 C ATOM 342 O ASP A 46 -5.974 -3.018 -6.239 1.00 0.00 O ATOM 343 CB ASP A 46 -5.904 -6.346 -6.252 1.00 0.00 C ATOM 344 CG ASP A 46 -6.026 -7.594 -7.070 1.00 0.00 C ATOM 345 OD1 ASP A 46 -6.950 -7.706 -7.898 1.00 0.00 O ATOM 346 OD2 ASP A 46 -5.206 -8.501 -6.904 1.00 0.00 O ATOM 0 H ASP A 46 -3.569 -6.346 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.930 -4.953 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.289 -6.556 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.892 -6.064 -5.888 1.00 0.00 H new ATOM 351 N ILE A 47 -4.292 -4.069 -5.153 1.00 0.00 N ATOM 352 CA ILE A 47 -4.074 -3.023 -4.176 1.00 0.00 C ATOM 353 C ILE A 47 -3.755 -1.705 -4.874 1.00 0.00 C ATOM 354 O ILE A 47 -4.367 -0.694 -4.594 1.00 0.00 O ATOM 355 CB ILE A 47 -2.939 -3.398 -3.174 1.00 0.00 C ATOM 356 CG1 ILE A 47 -3.351 -4.599 -2.307 1.00 0.00 C ATOM 357 CG2 ILE A 47 -2.549 -2.211 -2.304 1.00 0.00 C ATOM 358 CD1 ILE A 47 -2.325 -4.981 -1.253 1.00 0.00 C ATOM 0 H ILE A 47 -3.662 -4.865 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.994 -2.908 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.063 -3.681 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.296 -4.371 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.529 -5.458 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.756 -2.508 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.196 -1.397 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.416 -1.877 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.689 -5.836 -0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.385 -5.242 -1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.164 -4.139 -0.580 1.00 0.00 H new ATOM 370 N LEU A 48 -2.872 -1.761 -5.839 1.00 0.00 N ATOM 371 CA LEU A 48 -2.444 -0.590 -6.572 1.00 0.00 C ATOM 372 C LEU A 48 -3.595 0.087 -7.268 1.00 0.00 C ATOM 373 O LEU A 48 -3.728 1.292 -7.179 1.00 0.00 O ATOM 374 CB LEU A 48 -1.362 -0.947 -7.579 1.00 0.00 C ATOM 375 CG LEU A 48 0.037 -1.162 -7.019 1.00 0.00 C ATOM 376 CD1 LEU A 48 0.945 -1.733 -8.087 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.601 0.153 -6.507 1.00 0.00 C ATOM 0 H LEU A 48 -2.425 -2.626 -6.143 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.033 0.110 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.665 -1.855 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.314 -0.154 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.021 -1.869 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.943 -1.882 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.547 -2.688 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.000 -1.040 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.602 -0.011 -6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.650 0.871 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.044 0.543 -5.719 1.00 0.00 H new ATOM 389 N THR A 49 -4.435 -0.684 -7.926 1.00 0.00 N ATOM 390 CA THR A 49 -5.575 -0.139 -8.620 1.00 0.00 C ATOM 391 C THR A 49 -6.549 0.545 -7.665 1.00 0.00 C ATOM 392 O THR A 49 -6.991 1.674 -7.917 1.00 0.00 O ATOM 393 CB THR A 49 -6.287 -1.232 -9.419 1.00 0.00 C ATOM 394 OG1 THR A 49 -5.372 -1.752 -10.401 1.00 0.00 O ATOM 395 CG2 THR A 49 -7.499 -0.661 -10.112 1.00 0.00 C ATOM 0 H THR A 49 -4.345 -1.698 -7.993 1.00 0.00 H new ATOM 0 HA THR A 49 -5.206 0.620 -9.309 1.00 0.00 H new ATOM 0 HB THR A 49 -6.610 -2.027 -8.747 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.046 -1.020 -10.965 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.999 -1.447 -10.678 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.186 -0.256 -9.369 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.189 0.134 -10.791 1.00 0.00 H new ATOM 403 N VAL A 50 -6.831 -0.112 -6.569 1.00 0.00 N ATOM 404 CA VAL A 50 -7.753 0.401 -5.585 1.00 0.00 C ATOM 405 C VAL A 50 -7.194 1.665 -4.936 1.00 0.00 C ATOM 406 O VAL A 50 -7.863 2.694 -4.871 1.00 0.00 O ATOM 407 CB VAL A 50 -8.053 -0.675 -4.515 1.00 0.00 C ATOM 408 CG1 VAL A 50 -8.953 -0.133 -3.447 1.00 0.00 C ATOM 409 CG2 VAL A 50 -8.713 -1.871 -5.158 1.00 0.00 C ATOM 0 H VAL A 50 -6.428 -1.019 -6.332 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.687 0.658 -6.085 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.107 -0.972 -4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.148 -0.909 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.472 0.717 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.894 0.188 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.921 -2.624 -4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.647 -1.562 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.048 -2.291 -5.913 1.00 0.00 H new ATOM 419 N PHE A 51 -5.949 1.586 -4.530 1.00 0.00 N ATOM 420 CA PHE A 51 -5.267 2.652 -3.869 1.00 0.00 C ATOM 421 C PHE A 51 -5.051 3.860 -4.783 1.00 0.00 C ATOM 422 O PHE A 51 -4.984 5.000 -4.333 1.00 0.00 O ATOM 423 CB PHE A 51 -3.983 2.132 -3.230 1.00 0.00 C ATOM 424 CG PHE A 51 -4.242 1.316 -1.955 1.00 0.00 C ATOM 425 CD1 PHE A 51 -5.165 0.278 -1.934 1.00 0.00 C ATOM 426 CD2 PHE A 51 -3.573 1.602 -0.787 1.00 0.00 C ATOM 427 CE1 PHE A 51 -5.402 -0.443 -0.792 1.00 0.00 C ATOM 428 CE2 PHE A 51 -3.807 0.886 0.353 1.00 0.00 C ATOM 429 CZ PHE A 51 -4.720 -0.136 0.359 1.00 0.00 C ATOM 0 H PHE A 51 -5.375 0.753 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.900 3.026 -3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.449 1.512 -3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.334 2.975 -2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.707 0.034 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.851 2.405 -0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.122 -1.248 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.268 1.128 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.902 -0.697 1.264 1.00 0.00 H new ATOM 439 N SER A 52 -5.034 3.608 -6.079 1.00 0.00 N ATOM 440 CA SER A 52 -4.909 4.659 -7.063 1.00 0.00 C ATOM 441 C SER A 52 -6.138 5.563 -7.120 1.00 0.00 C ATOM 442 O SER A 52 -6.057 6.662 -7.647 1.00 0.00 O ATOM 443 CB SER A 52 -4.610 4.093 -8.431 1.00 0.00 C ATOM 444 OG SER A 52 -3.325 3.518 -8.478 1.00 0.00 O ATOM 0 H SER A 52 -5.106 2.671 -6.475 1.00 0.00 H new ATOM 0 HA SER A 52 -4.069 5.277 -6.745 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.357 3.341 -8.687 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.685 4.883 -9.178 1.00 0.00 H new ATOM 0 HG SER A 52 -3.273 2.780 -7.836 1.00 0.00 H new ATOM 450 N GLU A 53 -7.267 5.116 -6.591 1.00 0.00 N ATOM 451 CA GLU A 53 -8.435 5.984 -6.553 1.00 0.00 C ATOM 452 C GLU A 53 -8.191 7.122 -5.534 1.00 0.00 C ATOM 453 O GLU A 53 -8.736 8.233 -5.658 1.00 0.00 O ATOM 454 CB GLU A 53 -9.698 5.214 -6.141 1.00 0.00 C ATOM 455 CG GLU A 53 -10.968 6.036 -6.315 1.00 0.00 C ATOM 456 CD GLU A 53 -12.099 5.599 -5.427 1.00 0.00 C ATOM 457 OE1 GLU A 53 -12.116 6.032 -4.255 1.00 0.00 O ATOM 458 OE2 GLU A 53 -13.032 4.890 -5.900 1.00 0.00 O ATOM 0 H GLU A 53 -7.399 4.186 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.588 6.386 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.774 4.304 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.608 4.907 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.743 7.083 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.290 5.975 -7.355 1.00 0.00 H new ATOM 465 N TYR A 54 -7.346 6.844 -4.545 1.00 0.00 N ATOM 466 CA TYR A 54 -7.096 7.769 -3.455 1.00 0.00 C ATOM 467 C TYR A 54 -5.963 8.709 -3.767 1.00 0.00 C ATOM 468 O TYR A 54 -5.886 9.826 -3.228 1.00 0.00 O ATOM 469 CB TYR A 54 -6.804 6.987 -2.199 1.00 0.00 C ATOM 470 CG TYR A 54 -7.905 6.019 -1.927 1.00 0.00 C ATOM 471 CD1 TYR A 54 -9.134 6.441 -1.480 1.00 0.00 C ATOM 472 CD2 TYR A 54 -7.720 4.692 -2.161 1.00 0.00 C ATOM 473 CE1 TYR A 54 -10.144 5.547 -1.270 1.00 0.00 C ATOM 474 CE2 TYR A 54 -8.716 3.782 -1.955 1.00 0.00 C ATOM 475 CZ TYR A 54 -9.932 4.214 -1.509 1.00 0.00 C ATOM 476 OH TYR A 54 -10.938 3.314 -1.295 1.00 0.00 O ATOM 0 H TYR A 54 -6.819 5.973 -4.481 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.987 8.380 -3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.859 6.454 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.692 7.668 -1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.303 7.491 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.760 4.350 -2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.106 5.888 -0.917 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.544 2.732 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 54 -10.660 2.430 -1.614 1.00 0.00 H new ATOM 486 N GLY A 55 -5.115 8.293 -4.657 1.00 0.00 N ATOM 487 CA GLY A 55 -4.002 9.085 -5.036 1.00 0.00 C ATOM 488 C GLY A 55 -3.073 8.305 -5.882 1.00 0.00 C ATOM 489 O GLY A 55 -3.473 7.328 -6.497 1.00 0.00 O ATOM 0 H GLY A 55 -5.181 7.395 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.344 9.966 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.482 9.440 -4.147 1.00 0.00 H new ATOM 493 N VAL A 56 -1.846 8.700 -5.894 1.00 0.00 N ATOM 494 CA VAL A 56 -0.852 8.073 -6.707 1.00 0.00 C ATOM 495 C VAL A 56 0.046 7.197 -5.841 1.00 0.00 C ATOM 496 O VAL A 56 0.852 7.713 -5.051 1.00 0.00 O ATOM 497 CB VAL A 56 0.011 9.130 -7.440 1.00 0.00 C ATOM 498 CG1 VAL A 56 1.033 8.476 -8.357 1.00 0.00 C ATOM 499 CG2 VAL A 56 -0.868 10.091 -8.219 1.00 0.00 C ATOM 0 H VAL A 56 -1.497 9.477 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.358 7.459 -7.452 1.00 0.00 H new ATOM 0 HB VAL A 56 0.557 9.694 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.621 9.247 -8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.694 7.839 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.518 7.873 -9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.243 10.826 -8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.449 9.537 -8.957 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.545 10.602 -7.534 1.00 0.00 H new ATOM 509 N PRO A 57 -0.114 5.874 -5.912 1.00 0.00 N ATOM 510 CA PRO A 57 0.755 4.962 -5.201 1.00 0.00 C ATOM 511 C PRO A 57 2.108 4.890 -5.908 1.00 0.00 C ATOM 512 O PRO A 57 2.171 4.800 -7.150 1.00 0.00 O ATOM 513 CB PRO A 57 0.018 3.622 -5.315 1.00 0.00 C ATOM 514 CG PRO A 57 -0.759 3.728 -6.569 1.00 0.00 C ATOM 515 CD PRO A 57 -1.166 5.164 -6.667 1.00 0.00 C ATOM 0 HA PRO A 57 0.952 5.253 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.718 2.787 -5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.634 3.454 -4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.159 3.431 -7.429 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.631 3.074 -6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.211 5.498 -7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.153 5.332 -6.235 1.00 0.00 H new ATOM 523 N VAL A 58 3.176 4.920 -5.147 1.00 0.00 N ATOM 524 CA VAL A 58 4.500 4.890 -5.740 1.00 0.00 C ATOM 525 C VAL A 58 5.222 3.587 -5.437 1.00 0.00 C ATOM 526 O VAL A 58 6.094 3.163 -6.194 1.00 0.00 O ATOM 527 CB VAL A 58 5.381 6.106 -5.321 1.00 0.00 C ATOM 528 CG1 VAL A 58 4.788 7.404 -5.816 1.00 0.00 C ATOM 529 CG2 VAL A 58 5.549 6.171 -3.828 1.00 0.00 C ATOM 0 H VAL A 58 3.160 4.965 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 58 4.343 4.959 -6.816 1.00 0.00 H new ATOM 0 HB VAL A 58 6.360 5.964 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.423 8.235 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.720 7.382 -6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.792 7.534 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.168 7.030 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.572 6.272 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.029 5.258 -3.476 1.00 0.00 H new ATOM 539 N ASP A 59 4.860 2.943 -4.350 1.00 0.00 N ATOM 540 CA ASP A 59 5.488 1.687 -3.976 1.00 0.00 C ATOM 541 C ASP A 59 4.528 0.879 -3.170 1.00 0.00 C ATOM 542 O ASP A 59 3.718 1.445 -2.415 1.00 0.00 O ATOM 543 CB ASP A 59 6.763 1.916 -3.164 1.00 0.00 C ATOM 544 CG ASP A 59 7.527 0.630 -2.889 1.00 0.00 C ATOM 545 OD1 ASP A 59 7.717 -0.179 -3.825 1.00 0.00 O ATOM 546 OD2 ASP A 59 7.998 0.433 -1.759 1.00 0.00 O ATOM 0 H ASP A 59 4.136 3.264 -3.708 1.00 0.00 H new ATOM 0 HA ASP A 59 5.759 1.157 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.410 2.610 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.505 2.389 -2.217 1.00 0.00 H new ATOM 551 N VAL A 60 4.588 -0.407 -3.338 1.00 0.00 N ATOM 552 CA VAL A 60 3.749 -1.314 -2.632 1.00 0.00 C ATOM 553 C VAL A 60 4.536 -2.599 -2.366 1.00 0.00 C ATOM 554 O VAL A 60 5.311 -3.051 -3.221 1.00 0.00 O ATOM 555 CB VAL A 60 2.435 -1.604 -3.438 1.00 0.00 C ATOM 556 CG1 VAL A 60 2.717 -2.312 -4.756 1.00 0.00 C ATOM 557 CG2 VAL A 60 1.407 -2.364 -2.605 1.00 0.00 C ATOM 0 H VAL A 60 5.236 -0.860 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 60 3.446 -0.874 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 60 2.000 -0.634 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.778 -2.493 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.363 -1.688 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.212 -3.263 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.514 -2.543 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.829 -3.318 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.143 -1.775 -1.727 1.00 0.00 H new ATOM 567 N ILE A 61 4.437 -3.101 -1.169 1.00 0.00 N ATOM 568 CA ILE A 61 5.045 -4.352 -0.802 1.00 0.00 C ATOM 569 C ILE A 61 3.969 -5.288 -0.344 1.00 0.00 C ATOM 570 O ILE A 61 3.186 -4.949 0.553 1.00 0.00 O ATOM 571 CB ILE A 61 6.095 -4.185 0.327 1.00 0.00 C ATOM 572 CG1 ILE A 61 7.216 -3.268 -0.138 1.00 0.00 C ATOM 573 CG2 ILE A 61 6.668 -5.547 0.747 1.00 0.00 C ATOM 574 CD1 ILE A 61 8.172 -2.888 0.951 1.00 0.00 C ATOM 0 H ILE A 61 3.926 -2.650 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 61 5.565 -4.747 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 61 5.603 -3.740 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.768 -3.760 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.781 -2.362 -0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.402 -5.404 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.862 -6.185 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.147 -6.020 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.944 -2.234 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.633 -2.367 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.635 -3.787 1.358 1.00 0.00 H new ATOM 586 N LEU A 62 3.890 -6.428 -0.964 1.00 0.00 N ATOM 587 CA LEU A 62 2.950 -7.412 -0.551 1.00 0.00 C ATOM 588 C LEU A 62 3.694 -8.369 0.336 1.00 0.00 C ATOM 589 O LEU A 62 4.624 -9.053 -0.112 1.00 0.00 O ATOM 590 CB LEU A 62 2.385 -8.179 -1.745 1.00 0.00 C ATOM 591 CG LEU A 62 0.920 -8.652 -1.636 1.00 0.00 C ATOM 592 CD1 LEU A 62 0.621 -9.394 -0.339 1.00 0.00 C ATOM 593 CD2 LEU A 62 -0.021 -7.493 -1.828 1.00 0.00 C ATOM 0 H LEU A 62 4.470 -6.695 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 62 2.114 -6.936 -0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.473 -7.546 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.013 -9.054 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 62 0.763 -9.375 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.426 -9.699 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.257 -10.277 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.818 -8.738 0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.050 -7.843 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.167 -6.741 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.138 -7.055 -2.813 1.00 0.00 H new ATOM 605 N SER A 63 3.330 -8.398 1.559 1.00 0.00 N ATOM 606 CA SER A 63 3.925 -9.283 2.495 1.00 0.00 C ATOM 607 C SER A 63 3.378 -10.680 2.227 1.00 0.00 C ATOM 608 O SER A 63 2.162 -10.903 2.293 1.00 0.00 O ATOM 609 CB SER A 63 3.543 -8.800 3.863 1.00 0.00 C ATOM 610 OG SER A 63 3.781 -7.400 3.946 1.00 0.00 O ATOM 0 H SER A 63 2.600 -7.801 1.949 1.00 0.00 H new ATOM 0 HA SER A 63 5.012 -9.314 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.492 -9.015 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.122 -9.325 4.622 1.00 0.00 H new ATOM 0 HG SER A 63 3.630 -7.096 4.866 1.00 0.00 H new ATOM 616 N ARG A 64 4.239 -11.595 1.873 1.00 0.00 N ATOM 617 CA ARG A 64 3.825 -12.927 1.516 1.00 0.00 C ATOM 618 C ARG A 64 4.597 -13.955 2.289 1.00 0.00 C ATOM 619 O ARG A 64 5.762 -13.745 2.638 1.00 0.00 O ATOM 620 CB ARG A 64 4.010 -13.161 0.022 1.00 0.00 C ATOM 621 CG ARG A 64 3.183 -12.241 -0.850 1.00 0.00 C ATOM 622 CD ARG A 64 3.443 -12.476 -2.312 1.00 0.00 C ATOM 623 NE ARG A 64 3.136 -13.846 -2.723 1.00 0.00 N ATOM 624 CZ ARG A 64 2.696 -14.195 -3.928 1.00 0.00 C ATOM 625 NH1 ARG A 64 2.546 -13.279 -4.869 1.00 0.00 N ATOM 626 NH2 ARG A 64 2.424 -15.468 -4.193 1.00 0.00 N ATOM 0 H ARG A 64 5.246 -11.440 1.824 1.00 0.00 H new ATOM 0 HA ARG A 64 2.768 -13.026 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.063 -13.033 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.751 -14.194 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.125 -12.395 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.410 -11.204 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.844 -11.781 -2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.489 -12.260 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 64 3.269 -14.587 -2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.768 -12.303 -4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.208 -13.548 -5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.553 -16.178 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.086 -15.736 -5.118 1.00 0.00 H new ATOM 728 N GLN A 72 0.438 -12.694 3.317 1.00 0.00 N ATOM 729 CA GLN A 72 0.468 -12.775 4.775 1.00 0.00 C ATOM 730 C GLN A 72 -0.748 -12.129 5.398 1.00 0.00 C ATOM 731 O GLN A 72 -0.873 -12.057 6.621 1.00 0.00 O ATOM 732 CB GLN A 72 1.712 -12.104 5.307 1.00 0.00 C ATOM 733 CG GLN A 72 2.960 -12.940 5.259 1.00 0.00 C ATOM 734 CD GLN A 72 2.975 -14.030 6.314 1.00 0.00 C ATOM 735 OE1 GLN A 72 1.939 -14.577 6.704 1.00 0.00 O ATOM 736 NE2 GLN A 72 4.135 -14.323 6.800 1.00 0.00 N ATOM 0 HA GLN A 72 0.470 -13.832 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.884 -11.190 4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.532 -11.807 6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.051 -13.394 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.829 -12.296 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.968 -13.849 6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.218 -15.028 7.532 1.00 0.00 H new ATOM 745 N GLY A 73 -1.627 -11.650 4.566 1.00 0.00 N ATOM 746 CA GLY A 73 -2.815 -11.016 5.038 1.00 0.00 C ATOM 747 C GLY A 73 -2.600 -9.560 5.331 1.00 0.00 C ATOM 748 O GLY A 73 -3.490 -8.896 5.836 1.00 0.00 O ATOM 0 H GLY A 73 -1.538 -11.689 3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.603 -11.123 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.160 -11.520 5.941 1.00 0.00 H new ATOM 752 N PHE A 74 -1.439 -9.050 4.996 1.00 0.00 N ATOM 753 CA PHE A 74 -1.146 -7.667 5.213 1.00 0.00 C ATOM 754 C PHE A 74 -0.216 -7.204 4.125 1.00 0.00 C ATOM 755 O PHE A 74 0.437 -8.041 3.485 1.00 0.00 O ATOM 756 CB PHE A 74 -0.560 -7.397 6.633 1.00 0.00 C ATOM 757 CG PHE A 74 0.851 -7.873 6.891 1.00 0.00 C ATOM 758 CD1 PHE A 74 1.116 -9.186 7.238 1.00 0.00 C ATOM 759 CD2 PHE A 74 1.909 -6.979 6.812 1.00 0.00 C ATOM 760 CE1 PHE A 74 2.414 -9.602 7.497 1.00 0.00 C ATOM 761 CE2 PHE A 74 3.203 -7.389 7.068 1.00 0.00 C ATOM 762 CZ PHE A 74 3.456 -8.702 7.411 1.00 0.00 C ATOM 0 H PHE A 74 -0.681 -9.583 4.569 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.073 -7.096 5.171 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.595 -6.323 6.816 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.216 -7.867 7.366 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.304 -9.894 7.308 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.718 -5.950 6.547 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.609 -10.630 7.766 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.017 -6.682 7.000 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.467 -9.024 7.612 1.00 0.00 H new ATOM 772 N ALA A 75 -0.201 -5.922 3.870 1.00 0.00 N ATOM 773 CA ALA A 75 0.656 -5.347 2.873 1.00 0.00 C ATOM 774 C ALA A 75 0.940 -3.887 3.199 1.00 0.00 C ATOM 775 O ALA A 75 0.321 -3.304 4.105 1.00 0.00 O ATOM 776 CB ALA A 75 0.015 -5.470 1.509 1.00 0.00 C ATOM 0 H ALA A 75 -0.789 -5.244 4.354 1.00 0.00 H new ATOM 0 HA ALA A 75 1.602 -5.888 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.671 -5.031 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.149 -6.522 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.940 -4.945 1.507 1.00 0.00 H new ATOM 782 N TYR A 76 1.845 -3.307 2.450 1.00 0.00 N ATOM 783 CA TYR A 76 2.274 -1.935 2.625 1.00 0.00 C ATOM 784 C TYR A 76 2.189 -1.187 1.308 1.00 0.00 C ATOM 785 O TYR A 76 2.518 -1.740 0.272 1.00 0.00 O ATOM 786 CB TYR A 76 3.729 -1.935 3.141 1.00 0.00 C ATOM 787 CG TYR A 76 4.548 -0.704 2.792 1.00 0.00 C ATOM 788 CD1 TYR A 76 4.435 0.483 3.497 1.00 0.00 C ATOM 789 CD2 TYR A 76 5.458 -0.757 1.749 1.00 0.00 C ATOM 790 CE1 TYR A 76 5.216 1.573 3.166 1.00 0.00 C ATOM 791 CE2 TYR A 76 6.230 0.318 1.411 1.00 0.00 C ATOM 792 CZ TYR A 76 6.112 1.481 2.117 1.00 0.00 C ATOM 793 OH TYR A 76 6.908 2.547 1.794 1.00 0.00 O ATOM 0 H TYR A 76 2.317 -3.785 1.682 1.00 0.00 H new ATOM 0 HA TYR A 76 1.625 -1.436 3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.711 -2.042 4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.237 -2.813 2.742 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.730 0.557 4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.560 -1.674 1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.127 2.493 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.929 0.249 0.591 1.00 0.00 H new ATOM 0 HH TYR A 76 6.812 3.245 2.475 1.00 0.00 H new ATOM 803 N LEU A 77 1.767 0.059 1.355 1.00 0.00 N ATOM 804 CA LEU A 77 1.728 0.898 0.178 1.00 0.00 C ATOM 805 C LEU A 77 2.009 2.340 0.589 1.00 0.00 C ATOM 806 O LEU A 77 1.598 2.768 1.663 1.00 0.00 O ATOM 807 CB LEU A 77 0.382 0.745 -0.597 1.00 0.00 C ATOM 808 CG LEU A 77 0.291 1.455 -1.973 1.00 0.00 C ATOM 809 CD1 LEU A 77 -0.734 0.775 -2.853 1.00 0.00 C ATOM 810 CD2 LEU A 77 -0.121 2.895 -1.807 1.00 0.00 C ATOM 0 H LEU A 77 1.443 0.517 2.207 1.00 0.00 H new ATOM 0 HA LEU A 77 2.503 0.580 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.195 -0.318 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.421 1.123 0.036 1.00 0.00 H new ATOM 0 HG LEU A 77 1.278 1.402 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.785 1.286 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.447 -0.265 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.710 0.813 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.178 3.372 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.097 2.941 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.613 3.415 -1.192 1.00 0.00 H new ATOM 822 N LYS A 78 2.761 3.048 -0.221 1.00 0.00 N ATOM 823 CA LYS A 78 3.077 4.436 0.041 1.00 0.00 C ATOM 824 C LYS A 78 2.654 5.292 -1.143 1.00 0.00 C ATOM 825 O LYS A 78 2.722 4.847 -2.319 1.00 0.00 O ATOM 826 CB LYS A 78 4.565 4.665 0.339 1.00 0.00 C ATOM 827 CG LYS A 78 5.471 4.377 -0.822 1.00 0.00 C ATOM 828 CD LYS A 78 6.887 4.884 -0.599 1.00 0.00 C ATOM 829 CE LYS A 78 6.956 6.410 -0.504 1.00 0.00 C ATOM 830 NZ LYS A 78 8.354 6.886 -0.409 1.00 0.00 N ATOM 0 H LYS A 78 3.171 2.680 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 78 2.524 4.725 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.708 5.700 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.858 4.036 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.498 3.302 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.061 4.838 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.285 4.448 0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.524 4.545 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.479 6.852 -1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.396 6.747 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.364 7.924 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.801 6.484 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.881 6.585 -1.254 1.00 0.00 H new ATOM 844 N TYR A 79 2.207 6.476 -0.857 1.00 0.00 N ATOM 845 CA TYR A 79 1.734 7.388 -1.878 1.00 0.00 C ATOM 846 C TYR A 79 2.697 8.515 -2.124 1.00 0.00 C ATOM 847 O TYR A 79 3.605 8.777 -1.319 1.00 0.00 O ATOM 848 CB TYR A 79 0.398 7.988 -1.506 1.00 0.00 C ATOM 849 CG TYR A 79 -0.746 7.038 -1.489 1.00 0.00 C ATOM 850 CD1 TYR A 79 -0.925 6.165 -0.443 1.00 0.00 C ATOM 851 CD2 TYR A 79 -1.677 7.045 -2.506 1.00 0.00 C ATOM 852 CE1 TYR A 79 -1.995 5.328 -0.402 1.00 0.00 C ATOM 853 CE2 TYR A 79 -2.747 6.207 -2.481 1.00 0.00 C ATOM 854 CZ TYR A 79 -2.905 5.352 -1.427 1.00 0.00 C ATOM 855 OH TYR A 79 -3.977 4.540 -1.386 1.00 0.00 O ATOM 0 H TYR A 79 2.156 6.848 0.091 1.00 0.00 H new ATOM 0 HA TYR A 79 1.638 6.792 -2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.485 8.443 -0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.171 8.791 -2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.203 6.144 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.554 7.726 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.127 4.651 0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.466 6.217 -3.287 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.760 3.737 -0.867 1.00 0.00 H new ATOM 865 N GLU A 80 2.476 9.174 -3.237 1.00 0.00 N ATOM 866 CA GLU A 80 3.215 10.346 -3.639 1.00 0.00 C ATOM 867 C GLU A 80 2.805 11.528 -2.749 1.00 0.00 C ATOM 868 O GLU A 80 3.625 12.384 -2.398 1.00 0.00 O ATOM 869 CB GLU A 80 2.899 10.640 -5.116 1.00 0.00 C ATOM 870 CG GLU A 80 3.589 11.857 -5.702 1.00 0.00 C ATOM 871 CD GLU A 80 3.209 12.094 -7.146 1.00 0.00 C ATOM 872 OE1 GLU A 80 2.145 12.711 -7.409 1.00 0.00 O ATOM 873 OE2 GLU A 80 3.974 11.697 -8.048 1.00 0.00 O ATOM 0 H GLU A 80 1.756 8.901 -3.906 1.00 0.00 H new ATOM 0 HA GLU A 80 4.287 10.184 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.174 9.768 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.822 10.770 -5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.332 12.737 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.669 11.729 -5.629 1.00 0.00 H new ATOM 880 N ASP A 81 1.540 11.547 -2.361 1.00 0.00 N ATOM 881 CA ASP A 81 1.016 12.610 -1.522 1.00 0.00 C ATOM 882 C ASP A 81 0.386 12.007 -0.278 1.00 0.00 C ATOM 883 O ASP A 81 -0.347 11.020 -0.358 1.00 0.00 O ATOM 884 CB ASP A 81 -0.029 13.428 -2.273 1.00 0.00 C ATOM 885 CG ASP A 81 -0.328 14.737 -1.599 1.00 0.00 C ATOM 886 OD1 ASP A 81 -0.935 14.765 -0.507 1.00 0.00 O ATOM 887 OD2 ASP A 81 0.027 15.790 -2.165 1.00 0.00 O ATOM 0 H ASP A 81 0.856 10.835 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 81 1.838 13.269 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.323 13.617 -3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.948 12.848 -2.357 1.00 0.00 H new ATOM 892 N GLN A 82 0.676 12.583 0.858 1.00 0.00 N ATOM 893 CA GLN A 82 0.194 12.088 2.140 1.00 0.00 C ATOM 894 C GLN A 82 -1.309 12.285 2.368 1.00 0.00 C ATOM 895 O GLN A 82 -1.900 11.630 3.204 1.00 0.00 O ATOM 896 CB GLN A 82 1.063 12.574 3.275 1.00 0.00 C ATOM 897 CG GLN A 82 2.494 12.155 3.059 1.00 0.00 C ATOM 898 CD GLN A 82 3.433 12.651 4.104 1.00 0.00 C ATOM 899 OE1 GLN A 82 3.211 13.672 4.727 1.00 0.00 O ATOM 900 NE2 GLN A 82 4.528 11.981 4.248 1.00 0.00 N ATOM 0 H GLN A 82 1.258 13.417 0.931 1.00 0.00 H new ATOM 0 HA GLN A 82 0.296 11.003 2.112 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.003 13.660 3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.698 12.170 4.219 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.543 11.067 3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.825 12.517 2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.679 11.129 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.241 12.304 4.902 1.00 0.00 H new ATOM 909 N ARG A 83 -1.920 13.198 1.634 1.00 0.00 N ATOM 910 CA ARG A 83 -3.377 13.369 1.679 1.00 0.00 C ATOM 911 C ARG A 83 -4.056 12.078 1.222 1.00 0.00 C ATOM 912 O ARG A 83 -5.137 11.716 1.662 1.00 0.00 O ATOM 913 CB ARG A 83 -3.826 14.536 0.822 1.00 0.00 C ATOM 914 CG ARG A 83 -3.439 15.902 1.354 1.00 0.00 C ATOM 915 CD ARG A 83 -3.718 16.976 0.319 1.00 0.00 C ATOM 916 NE ARG A 83 -2.868 16.793 -0.866 1.00 0.00 N ATOM 917 CZ ARG A 83 -3.042 17.366 -2.062 1.00 0.00 C ATOM 918 NH1 ARG A 83 -4.151 18.043 -2.339 1.00 0.00 N ATOM 919 NH2 ARG A 83 -2.118 17.210 -2.992 1.00 0.00 N ATOM 0 H ARG A 83 -1.439 13.835 0.999 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.667 13.589 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.405 14.418 -0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.910 14.496 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.997 16.115 2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.381 15.909 1.618 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.768 16.942 0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.539 17.960 0.752 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.068 16.168 -0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.884 18.131 -1.635 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.270 18.475 -3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.284 16.658 -2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.239 17.642 -3.908 1.00 0.00 H new ATOM 933 N SER A 84 -3.420 11.427 0.310 1.00 0.00 N ATOM 934 CA SER A 84 -3.886 10.202 -0.246 1.00 0.00 C ATOM 935 C SER A 84 -3.906 9.049 0.785 1.00 0.00 C ATOM 936 O SER A 84 -4.803 8.203 0.738 1.00 0.00 O ATOM 937 CB SER A 84 -3.076 9.867 -1.468 1.00 0.00 C ATOM 938 OG SER A 84 -3.178 10.908 -2.427 1.00 0.00 O ATOM 0 H SER A 84 -2.533 11.742 -0.082 1.00 0.00 H new ATOM 0 HA SER A 84 -4.926 10.333 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.032 9.719 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.427 8.930 -1.900 1.00 0.00 H new ATOM 0 HG SER A 84 -2.352 10.950 -2.953 1.00 0.00 H new ATOM 944 N THR A 85 -2.919 8.997 1.697 1.00 0.00 N ATOM 945 CA THR A 85 -2.865 7.898 2.670 1.00 0.00 C ATOM 946 C THR A 85 -4.091 7.920 3.593 1.00 0.00 C ATOM 947 O THR A 85 -4.754 6.898 3.788 1.00 0.00 O ATOM 948 CB THR A 85 -1.554 7.924 3.513 1.00 0.00 C ATOM 949 OG1 THR A 85 -1.433 9.152 4.225 1.00 0.00 O ATOM 950 CG2 THR A 85 -0.352 7.768 2.622 1.00 0.00 C ATOM 0 H THR A 85 -2.169 9.683 1.779 1.00 0.00 H new ATOM 0 HA THR A 85 -2.871 6.970 2.099 1.00 0.00 H new ATOM 0 HB THR A 85 -1.602 7.096 4.220 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.609 9.901 3.618 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.554 7.788 3.227 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.413 6.818 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.325 8.585 1.901 1.00 0.00 H new ATOM 958 N ILE A 86 -4.427 9.107 4.077 1.00 0.00 N ATOM 959 CA ILE A 86 -5.594 9.312 4.925 1.00 0.00 C ATOM 960 C ILE A 86 -6.879 9.041 4.160 1.00 0.00 C ATOM 961 O ILE A 86 -7.822 8.475 4.702 1.00 0.00 O ATOM 962 CB ILE A 86 -5.600 10.712 5.606 1.00 0.00 C ATOM 963 CG1 ILE A 86 -5.385 11.815 4.578 1.00 0.00 C ATOM 964 CG2 ILE A 86 -4.558 10.777 6.700 1.00 0.00 C ATOM 965 CD1 ILE A 86 -5.087 13.168 5.155 1.00 0.00 C ATOM 0 H ILE A 86 -3.897 9.958 3.892 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.533 8.586 5.736 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.578 10.867 6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.563 11.526 3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.277 11.890 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.578 11.763 7.164 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.773 10.018 7.452 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.571 10.597 6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.950 13.886 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.918 13.486 5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.177 13.116 5.753 1.00 0.00 H new ATOM 977 N LEU A 87 -6.908 9.443 2.894 1.00 0.00 N ATOM 978 CA LEU A 87 -8.046 9.157 2.013 1.00 0.00 C ATOM 979 C LEU A 87 -8.278 7.679 1.878 1.00 0.00 C ATOM 980 O LEU A 87 -9.415 7.204 1.976 1.00 0.00 O ATOM 981 CB LEU A 87 -7.790 9.711 0.625 1.00 0.00 C ATOM 982 CG LEU A 87 -8.162 11.144 0.382 1.00 0.00 C ATOM 983 CD1 LEU A 87 -7.654 11.557 -0.990 1.00 0.00 C ATOM 984 CD2 LEU A 87 -9.675 11.256 0.431 1.00 0.00 C ATOM 0 H LEU A 87 -6.156 9.970 2.449 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.921 9.626 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.729 9.595 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.333 9.094 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.720 11.794 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.919 12.598 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.570 11.446 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.108 10.924 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.969 12.291 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.112 10.620 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.032 10.937 1.410 1.00 0.00 H new ATOM 996 N ALA A 88 -7.205 6.955 1.705 1.00 0.00 N ATOM 997 CA ALA A 88 -7.283 5.542 1.534 1.00 0.00 C ATOM 998 C ALA A 88 -7.695 4.870 2.826 1.00 0.00 C ATOM 999 O ALA A 88 -8.581 4.057 2.827 1.00 0.00 O ATOM 1000 CB ALA A 88 -5.986 5.002 0.964 1.00 0.00 C ATOM 0 H ALA A 88 -6.258 7.333 1.680 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.060 5.309 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.065 3.922 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.793 5.465 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.166 5.231 1.645 1.00 0.00 H new ATOM 1006 N VAL A 89 -7.101 5.270 3.932 1.00 0.00 N ATOM 1007 CA VAL A 89 -7.463 4.713 5.234 1.00 0.00 C ATOM 1008 C VAL A 89 -8.954 4.960 5.553 1.00 0.00 C ATOM 1009 O VAL A 89 -9.663 4.069 5.968 1.00 0.00 O ATOM 1010 CB VAL A 89 -6.579 5.295 6.374 1.00 0.00 C ATOM 1011 CG1 VAL A 89 -7.082 4.828 7.727 1.00 0.00 C ATOM 1012 CG2 VAL A 89 -5.136 4.869 6.193 1.00 0.00 C ATOM 0 H VAL A 89 -6.366 5.977 3.963 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.288 3.639 5.177 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.638 6.382 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.452 5.245 8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.109 5.164 7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.047 3.740 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.530 5.284 6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.072 3.781 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.766 5.235 5.235 1.00 0.00 H new ATOM 1022 N ASP A 90 -9.395 6.146 5.295 1.00 0.00 N ATOM 1023 CA ASP A 90 -10.772 6.597 5.579 1.00 0.00 C ATOM 1024 C ASP A 90 -11.812 5.825 4.792 1.00 0.00 C ATOM 1025 O ASP A 90 -12.859 5.452 5.318 1.00 0.00 O ATOM 1026 CB ASP A 90 -10.899 8.110 5.302 1.00 0.00 C ATOM 1027 CG ASP A 90 -12.318 8.657 5.393 1.00 0.00 C ATOM 1028 OD1 ASP A 90 -12.954 8.546 6.464 1.00 0.00 O ATOM 1029 OD2 ASP A 90 -12.799 9.265 4.410 1.00 0.00 O ATOM 0 H ASP A 90 -8.815 6.869 4.869 1.00 0.00 H new ATOM 0 HA ASP A 90 -10.966 6.401 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.270 8.649 6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.507 8.317 4.306 1.00 0.00 H new ATOM 1034 N ASN A 91 -11.502 5.535 3.572 1.00 0.00 N ATOM 1035 CA ASN A 91 -12.466 4.889 2.683 1.00 0.00 C ATOM 1036 C ASN A 91 -12.309 3.363 2.703 1.00 0.00 C ATOM 1037 O ASN A 91 -13.286 2.624 2.674 1.00 0.00 O ATOM 1038 CB ASN A 91 -12.291 5.448 1.259 1.00 0.00 C ATOM 1039 CG ASN A 91 -13.323 4.993 0.198 1.00 0.00 C ATOM 1040 OD1 ASN A 91 -13.887 3.914 0.243 1.00 0.00 O ATOM 1041 ND2 ASN A 91 -13.549 5.834 -0.780 1.00 0.00 N ATOM 0 H ASN A 91 -10.594 5.727 3.149 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.475 5.108 3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.319 6.536 1.315 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.297 5.173 0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.207 5.590 -1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.068 6.733 -0.801 1.00 0.00 H new ATOM 1048 N LEU A 92 -11.105 2.905 2.870 1.00 0.00 N ATOM 1049 CA LEU A 92 -10.818 1.479 2.732 1.00 0.00 C ATOM 1050 C LEU A 92 -10.998 0.732 4.010 1.00 0.00 C ATOM 1051 O LEU A 92 -11.287 -0.464 3.994 1.00 0.00 O ATOM 1052 CB LEU A 92 -9.421 1.267 2.209 1.00 0.00 C ATOM 1053 CG LEU A 92 -9.220 1.386 0.728 1.00 0.00 C ATOM 1054 CD1 LEU A 92 -7.774 1.721 0.453 1.00 0.00 C ATOM 1055 CD2 LEU A 92 -9.567 0.066 0.075 1.00 0.00 C ATOM 0 H LEU A 92 -10.297 3.483 3.102 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.540 1.084 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.764 1.986 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.092 0.274 2.516 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.860 2.171 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.619 1.809 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.521 2.666 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.136 0.930 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.423 0.144 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.921 -0.717 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.607 -0.182 0.285 1.00 0.00 H new ATOM 1067 N ASN A 93 -10.812 1.408 5.120 1.00 0.00 N ATOM 1068 CA ASN A 93 -10.966 0.759 6.405 1.00 0.00 C ATOM 1069 C ASN A 93 -12.426 0.324 6.565 1.00 0.00 C ATOM 1070 O ASN A 93 -13.339 1.150 6.472 1.00 0.00 O ATOM 1071 CB ASN A 93 -10.611 1.770 7.491 1.00 0.00 C ATOM 1072 CG ASN A 93 -10.790 1.259 8.914 1.00 0.00 C ATOM 1073 OD1 ASN A 93 -11.881 1.316 9.463 1.00 0.00 O ATOM 1074 ND2 ASN A 93 -9.715 0.857 9.558 1.00 0.00 N ATOM 0 H ASN A 93 -10.557 2.395 5.162 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.318 -0.114 6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.574 2.078 7.357 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.228 2.659 7.358 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.780 0.584 10.539 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.817 0.819 9.077 1.00 0.00 H new ATOM 1081 N GLY A 94 -12.642 -0.948 6.807 1.00 0.00 N ATOM 1082 CA GLY A 94 -13.988 -1.456 6.982 1.00 0.00 C ATOM 1083 C GLY A 94 -14.720 -1.736 5.662 1.00 0.00 C ATOM 1084 O GLY A 94 -15.881 -2.176 5.675 1.00 0.00 O ATOM 0 H GLY A 94 -11.907 -1.651 6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.946 -2.375 7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.566 -0.736 7.562 1.00 0.00 H new ATOM 1088 N PHE A 95 -14.065 -1.479 4.533 1.00 0.00 N ATOM 1089 CA PHE A 95 -14.684 -1.694 3.225 1.00 0.00 C ATOM 1090 C PHE A 95 -14.493 -3.148 2.828 1.00 0.00 C ATOM 1091 O PHE A 95 -13.438 -3.725 3.090 1.00 0.00 O ATOM 1092 CB PHE A 95 -14.067 -0.754 2.164 1.00 0.00 C ATOM 1093 CG PHE A 95 -14.740 -0.817 0.816 1.00 0.00 C ATOM 1094 CD1 PHE A 95 -15.878 -0.071 0.559 1.00 0.00 C ATOM 1095 CD2 PHE A 95 -14.247 -1.633 -0.186 1.00 0.00 C ATOM 1096 CE1 PHE A 95 -16.503 -0.141 -0.670 1.00 0.00 C ATOM 1097 CE2 PHE A 95 -14.872 -1.706 -1.409 1.00 0.00 C ATOM 1098 CZ PHE A 95 -16.000 -0.961 -1.653 1.00 0.00 C ATOM 0 H PHE A 95 -13.110 -1.123 4.495 1.00 0.00 H new ATOM 0 HA PHE A 95 -15.748 -1.467 3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -14.112 0.271 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -13.013 -1.003 2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -16.281 0.572 1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -13.359 -2.221 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -17.388 0.449 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -14.475 -2.351 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 95 -16.490 -1.019 -2.614 1.00 0.00 H new ATOM 1108 N LYS A 96 -15.489 -3.747 2.207 1.00 0.00 N ATOM 1109 CA LYS A 96 -15.410 -5.147 1.870 1.00 0.00 C ATOM 1110 C LYS A 96 -14.934 -5.384 0.453 1.00 0.00 C ATOM 1111 O LYS A 96 -15.549 -4.928 -0.522 1.00 0.00 O ATOM 1112 CB LYS A 96 -16.737 -5.897 2.094 1.00 0.00 C ATOM 1113 CG LYS A 96 -17.220 -5.992 3.539 1.00 0.00 C ATOM 1114 CD LYS A 96 -17.820 -4.690 4.051 1.00 0.00 C ATOM 1115 CE LYS A 96 -18.207 -4.800 5.514 1.00 0.00 C ATOM 1116 NZ LYS A 96 -19.157 -5.904 5.769 1.00 0.00 N ATOM 0 H LYS A 96 -16.356 -3.287 1.929 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.667 -5.551 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -17.512 -5.406 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.630 -6.908 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.965 -6.784 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.384 -6.277 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -17.101 -3.880 3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.698 -4.434 3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.309 -4.952 6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.652 -3.860 5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.545 -5.813 6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.932 -5.862 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.663 -6.815 5.680 1.00 0.00 H new ATOM 1130 N ILE A 97 -13.835 -6.072 0.346 1.00 0.00 N ATOM 1131 CA ILE A 97 -13.329 -6.531 -0.915 1.00 0.00 C ATOM 1132 C ILE A 97 -13.098 -8.019 -0.739 1.00 0.00 C ATOM 1133 O ILE A 97 -12.661 -8.438 0.326 1.00 0.00 O ATOM 1134 CB ILE A 97 -11.974 -5.831 -1.281 1.00 0.00 C ATOM 1135 CG1 ILE A 97 -12.148 -4.306 -1.335 1.00 0.00 C ATOM 1136 CG2 ILE A 97 -11.423 -6.352 -2.604 1.00 0.00 C ATOM 1137 CD1 ILE A 97 -10.905 -3.539 -1.739 1.00 0.00 C ATOM 0 H ILE A 97 -13.256 -6.334 1.144 1.00 0.00 H new ATOM 0 HA ILE A 97 -14.029 -6.304 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.254 -6.071 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -12.948 -4.070 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -12.471 -3.956 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -10.483 -5.848 -2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -11.250 -7.426 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.141 -6.155 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -11.124 -2.471 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -10.106 -3.739 -1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.590 -3.855 -2.734 1.00 0.00 H new ATOM 1149 N GLY A 98 -13.390 -8.810 -1.748 1.00 0.00 N ATOM 1150 CA GLY A 98 -13.191 -10.251 -1.658 1.00 0.00 C ATOM 1151 C GLY A 98 -14.019 -10.915 -0.557 1.00 0.00 C ATOM 1152 O GLY A 98 -13.681 -12.008 -0.094 1.00 0.00 O ATOM 0 H GLY A 98 -13.765 -8.487 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.445 -10.705 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.135 -10.453 -1.479 1.00 0.00 H new ATOM 1156 N GLY A 99 -15.081 -10.248 -0.128 1.00 0.00 N ATOM 1157 CA GLY A 99 -15.919 -10.774 0.924 1.00 0.00 C ATOM 1158 C GLY A 99 -15.362 -10.502 2.315 1.00 0.00 C ATOM 1159 O GLY A 99 -15.868 -11.036 3.304 1.00 0.00 O ATOM 0 H GLY A 99 -15.377 -9.344 -0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.913 -10.335 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.033 -11.849 0.787 1.00 0.00 H new ATOM 1163 N ARG A 100 -14.338 -9.673 2.402 1.00 0.00 N ATOM 1164 CA ARG A 100 -13.728 -9.349 3.679 1.00 0.00 C ATOM 1165 C ARG A 100 -13.477 -7.859 3.815 1.00 0.00 C ATOM 1166 O ARG A 100 -13.166 -7.182 2.842 1.00 0.00 O ATOM 1167 CB ARG A 100 -12.441 -10.163 3.910 1.00 0.00 C ATOM 1168 CG ARG A 100 -11.439 -10.137 2.758 1.00 0.00 C ATOM 1169 CD ARG A 100 -10.214 -10.963 3.087 1.00 0.00 C ATOM 1170 NE ARG A 100 -10.549 -12.344 3.439 1.00 0.00 N ATOM 1171 CZ ARG A 100 -9.820 -13.122 4.242 1.00 0.00 C ATOM 1172 NH1 ARG A 100 -8.648 -12.694 4.706 1.00 0.00 N ATOM 1173 NH2 ARG A 100 -10.255 -14.331 4.564 1.00 0.00 N ATOM 0 H ARG A 100 -13.910 -9.210 1.600 1.00 0.00 H new ATOM 0 HA ARG A 100 -14.436 -9.630 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -11.949 -9.787 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.716 -11.199 4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.909 -10.522 1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -11.144 -9.108 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.539 -10.963 2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.679 -10.500 3.916 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.401 -12.740 3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.304 -11.769 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.094 -13.291 5.319 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.146 -14.667 4.198 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.699 -14.926 5.178 1.00 0.00 H new ATOM 1187 N ALA A 101 -13.648 -7.355 5.011 1.00 0.00 N ATOM 1188 CA ALA A 101 -13.448 -5.952 5.286 1.00 0.00 C ATOM 1189 C ALA A 101 -11.971 -5.653 5.481 1.00 0.00 C ATOM 1190 O ALA A 101 -11.317 -6.242 6.357 1.00 0.00 O ATOM 1191 CB ALA A 101 -14.248 -5.528 6.512 1.00 0.00 C ATOM 0 H ALA A 101 -13.930 -7.905 5.823 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.804 -5.379 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -14.085 -4.468 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.309 -5.706 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.924 -6.107 7.376 1.00 0.00 H new ATOM 1197 N LEU A 102 -11.456 -4.774 4.662 1.00 0.00 N ATOM 1198 CA LEU A 102 -10.072 -4.368 4.713 1.00 0.00 C ATOM 1199 C LEU A 102 -9.751 -3.545 5.923 1.00 0.00 C ATOM 1200 O LEU A 102 -10.517 -2.663 6.327 1.00 0.00 O ATOM 1201 CB LEU A 102 -9.660 -3.611 3.460 1.00 0.00 C ATOM 1202 CG LEU A 102 -9.042 -4.438 2.348 1.00 0.00 C ATOM 1203 CD1 LEU A 102 -8.792 -3.559 1.142 1.00 0.00 C ATOM 1204 CD2 LEU A 102 -7.728 -5.023 2.835 1.00 0.00 C ATOM 0 H LEU A 102 -11.993 -4.312 3.928 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.499 -5.293 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.539 -3.104 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.948 -2.837 3.746 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.720 -5.244 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.348 -4.154 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.736 -3.137 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.112 -2.752 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.278 -5.619 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.050 -4.215 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.911 -5.656 3.704 1.00 0.00 H new ATOM 1216 N LYS A 103 -8.619 -3.822 6.495 1.00 0.00 N ATOM 1217 CA LYS A 103 -8.163 -3.090 7.617 1.00 0.00 C ATOM 1218 C LYS A 103 -7.046 -2.194 7.180 1.00 0.00 C ATOM 1219 O LYS A 103 -6.041 -2.655 6.717 1.00 0.00 O ATOM 1220 CB LYS A 103 -7.709 -4.029 8.749 1.00 0.00 C ATOM 1221 CG LYS A 103 -7.138 -3.342 9.996 1.00 0.00 C ATOM 1222 CD LYS A 103 -8.167 -2.465 10.696 1.00 0.00 C ATOM 1223 CE LYS A 103 -7.608 -1.848 11.976 1.00 0.00 C ATOM 1224 NZ LYS A 103 -7.262 -2.868 12.993 1.00 0.00 N ATOM 0 H LYS A 103 -7.991 -4.565 6.190 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.981 -2.488 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.559 -4.641 9.051 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.953 -4.707 8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.776 -4.099 10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.279 -2.734 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.489 -1.672 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.049 -3.059 10.934 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.720 -1.263 11.736 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.341 -1.158 12.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.099 -2.403 13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.044 -3.547 13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.399 -3.370 12.701 1.00 0.00 H new ATOM 1238 N ILE A 104 -7.239 -0.924 7.271 1.00 0.00 N ATOM 1239 CA ILE A 104 -6.186 -0.012 6.914 1.00 0.00 C ATOM 1240 C ILE A 104 -5.863 0.772 8.150 1.00 0.00 C ATOM 1241 O ILE A 104 -6.787 1.182 8.877 1.00 0.00 O ATOM 1242 CB ILE A 104 -6.588 0.985 5.802 1.00 0.00 C ATOM 1243 CG1 ILE A 104 -7.487 0.331 4.750 1.00 0.00 C ATOM 1244 CG2 ILE A 104 -5.326 1.517 5.120 1.00 0.00 C ATOM 1245 CD1 ILE A 104 -6.863 -0.796 3.962 1.00 0.00 C ATOM 0 H ILE A 104 -8.105 -0.487 7.586 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.345 -0.590 6.531 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.146 1.798 6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.379 -0.049 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.815 1.100 4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -5.605 2.220 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.701 2.023 5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.771 0.687 4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.588 -1.185 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.988 -0.425 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.562 -1.592 4.642 1.00 0.00 H new ATOM 1257 N ASP A 105 -4.606 0.943 8.415 1.00 0.00 N ATOM 1258 CA ASP A 105 -4.145 1.640 9.588 1.00 0.00 C ATOM 1259 C ASP A 105 -2.912 2.429 9.229 1.00 0.00 C ATOM 1260 O ASP A 105 -2.209 2.085 8.285 1.00 0.00 O ATOM 1261 CB ASP A 105 -3.809 0.619 10.672 1.00 0.00 C ATOM 1262 CG ASP A 105 -3.337 1.229 11.975 1.00 0.00 C ATOM 1263 OD1 ASP A 105 -4.015 2.130 12.517 1.00 0.00 O ATOM 1264 OD2 ASP A 105 -2.266 0.818 12.482 1.00 0.00 O ATOM 0 H ASP A 105 -3.855 0.599 7.817 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.917 2.316 9.956 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.692 0.010 10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -3.036 -0.051 10.297 1.00 0.00 H new ATOM 1269 N HIS A 106 -2.673 3.485 9.928 1.00 0.00 N ATOM 1270 CA HIS A 106 -1.480 4.268 9.713 1.00 0.00 C ATOM 1271 C HIS A 106 -0.336 3.665 10.485 1.00 0.00 C ATOM 1272 O HIS A 106 -0.492 3.304 11.647 1.00 0.00 O ATOM 1273 CB HIS A 106 -1.673 5.731 10.098 1.00 0.00 C ATOM 1274 CG HIS A 106 -2.433 6.549 9.107 1.00 0.00 C ATOM 1275 ND1 HIS A 106 -1.831 7.387 8.185 1.00 0.00 N ATOM 1276 CD2 HIS A 106 -3.761 6.695 8.931 1.00 0.00 C ATOM 1277 CE1 HIS A 106 -2.788 8.006 7.502 1.00 0.00 C ATOM 1278 NE2 HIS A 106 -3.986 7.622 7.915 1.00 0.00 N ATOM 0 H HIS A 106 -3.287 3.838 10.662 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.254 4.249 8.647 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -2.192 5.774 11.056 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -0.693 6.185 10.246 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -0.827 7.508 8.053 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -4.528 6.177 9.488 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -2.612 8.725 6.716 1.00 0.00 H new ATOM 1286 N THR A 107 0.792 3.552 9.865 1.00 0.00 N ATOM 1287 CA THR A 107 1.933 2.971 10.493 1.00 0.00 C ATOM 1288 C THR A 107 3.142 3.560 9.792 1.00 0.00 C ATOM 1289 O THR A 107 2.981 4.171 8.731 1.00 0.00 O ATOM 1290 CB THR A 107 1.917 1.404 10.315 1.00 0.00 C ATOM 1291 OG1 THR A 107 2.822 0.782 11.231 1.00 0.00 O ATOM 1292 CG2 THR A 107 2.308 1.005 8.886 1.00 0.00 C ATOM 0 H THR A 107 0.949 3.861 8.906 1.00 0.00 H new ATOM 0 HA THR A 107 1.947 3.179 11.563 1.00 0.00 H new ATOM 0 HB THR A 107 0.901 1.066 10.516 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.797 -0.190 11.107 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.288 -0.081 8.793 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.602 1.442 8.180 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.312 1.370 8.668 1.00 0.00 H new ATOM 1300 N PHE A 108 4.307 3.462 10.361 1.00 0.00 N ATOM 1301 CA PHE A 108 5.457 3.859 9.624 1.00 0.00 C ATOM 1302 C PHE A 108 6.230 2.612 9.303 1.00 0.00 C ATOM 1303 O PHE A 108 6.788 1.951 10.183 1.00 0.00 O ATOM 1304 CB PHE A 108 6.310 4.864 10.400 1.00 0.00 C ATOM 1305 CG PHE A 108 5.542 6.084 10.829 1.00 0.00 C ATOM 1306 CD1 PHE A 108 5.075 6.989 9.898 1.00 0.00 C ATOM 1307 CD2 PHE A 108 5.271 6.306 12.161 1.00 0.00 C ATOM 1308 CE1 PHE A 108 4.354 8.097 10.293 1.00 0.00 C ATOM 1309 CE2 PHE A 108 4.551 7.410 12.564 1.00 0.00 C ATOM 1310 CZ PHE A 108 4.092 8.308 11.630 1.00 0.00 C ATOM 0 H PHE A 108 4.479 3.120 11.306 1.00 0.00 H new ATOM 0 HA PHE A 108 5.159 4.369 8.708 1.00 0.00 H new ATOM 0 HB2 PHE A 108 6.725 4.375 11.281 1.00 0.00 H new ATOM 0 HB3 PHE A 108 7.152 5.172 9.780 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.276 6.828 8.849 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.628 5.605 12.901 1.00 0.00 H new ATOM 0 HE1 PHE A 108 3.995 8.799 9.555 1.00 0.00 H new ATOM 0 HE2 PHE A 108 4.348 7.569 13.613 1.00 0.00 H new ATOM 0 HZ PHE A 108 3.529 9.175 11.942 1.00 0.00 H new ATOM 1320 N TYR A 109 6.230 2.282 8.061 1.00 0.00 N ATOM 1321 CA TYR A 109 6.896 1.119 7.568 1.00 0.00 C ATOM 1322 C TYR A 109 8.122 1.566 6.827 1.00 0.00 C ATOM 1323 O TYR A 109 8.083 2.588 6.136 1.00 0.00 O ATOM 1324 CB TYR A 109 5.934 0.349 6.649 1.00 0.00 C ATOM 1325 CG TYR A 109 6.446 -0.964 6.074 1.00 0.00 C ATOM 1326 CD1 TYR A 109 7.331 -0.982 5.007 1.00 0.00 C ATOM 1327 CD2 TYR A 109 6.007 -2.182 6.577 1.00 0.00 C ATOM 1328 CE1 TYR A 109 7.770 -2.156 4.458 1.00 0.00 C ATOM 1329 CE2 TYR A 109 6.444 -3.375 6.035 1.00 0.00 C ATOM 1330 CZ TYR A 109 7.324 -3.359 4.975 1.00 0.00 C ATOM 1331 OH TYR A 109 7.748 -4.549 4.422 1.00 0.00 O ATOM 0 H TYR A 109 5.757 2.823 7.338 1.00 0.00 H new ATOM 0 HA TYR A 109 7.195 0.455 8.379 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.021 0.143 7.207 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.660 1.001 5.819 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.683 -0.046 4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 109 5.313 -2.197 7.405 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.460 -2.143 3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.098 -4.315 6.440 1.00 0.00 H new ATOM 0 HH TYR A 109 7.341 -5.298 4.905 1.00 0.00 H new ATOM 1497 N ILE B 226 -7.394 15.044 -4.812 1.00 0.00 N ATOM 1498 CA ILE B 226 -6.160 14.504 -5.333 1.00 0.00 C ATOM 1499 C ILE B 226 -6.476 13.702 -6.581 1.00 0.00 C ATOM 1500 O ILE B 226 -7.428 12.894 -6.579 1.00 0.00 O ATOM 1501 CB ILE B 226 -5.387 13.594 -4.295 1.00 0.00 C ATOM 1502 CG1 ILE B 226 -4.863 14.389 -3.103 1.00 0.00 C ATOM 1503 CG2 ILE B 226 -4.246 12.831 -4.929 1.00 0.00 C ATOM 1504 CD1 ILE B 226 -5.861 14.615 -2.014 1.00 0.00 C ATOM 0 HA ILE B 226 -5.500 15.343 -5.556 1.00 0.00 H new ATOM 0 HB ILE B 226 -6.126 12.877 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE B 226 -4.002 13.866 -2.685 1.00 0.00 H new ATOM 0 HG13 ILE B 226 -4.507 15.356 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE B 226 -3.750 12.223 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE B 226 -4.634 12.185 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE B 226 -3.531 13.534 -5.355 1.00 0.00 H new ATOM 0 HD11 ILE B 226 -5.399 15.188 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE B 226 -6.713 15.168 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE B 226 -6.200 13.654 -1.626 1.00 0.00 H new ATOM 1516 N MET B 227 -5.723 13.939 -7.635 1.00 0.00 N ATOM 1517 CA MET B 227 -5.900 13.229 -8.883 1.00 0.00 C ATOM 1518 C MET B 227 -5.408 11.789 -8.749 1.00 0.00 C ATOM 1519 O MET B 227 -4.349 11.544 -8.148 1.00 0.00 O ATOM 1520 CB MET B 227 -5.182 13.957 -10.015 1.00 0.00 C ATOM 1521 CG MET B 227 -5.784 15.307 -10.352 1.00 0.00 C ATOM 1522 SD MET B 227 -7.432 15.196 -11.097 1.00 0.00 S ATOM 1523 CE MET B 227 -7.067 14.329 -12.631 1.00 0.00 C ATOM 0 H MET B 227 -4.972 14.629 -7.650 1.00 0.00 H new ATOM 0 HA MET B 227 -6.962 13.200 -9.125 1.00 0.00 H new ATOM 0 HB2 MET B 227 -4.136 14.094 -9.741 1.00 0.00 H new ATOM 0 HB3 MET B 227 -5.198 13.330 -10.906 1.00 0.00 H new ATOM 0 HG2 MET B 227 -5.844 15.906 -9.444 1.00 0.00 H new ATOM 0 HG3 MET B 227 -5.119 15.832 -11.037 1.00 0.00 H new ATOM 0 HE1 MET B 227 -7.515 14.865 -13.467 1.00 0.00 H new ATOM 0 HE2 MET B 227 -5.987 14.276 -12.771 1.00 0.00 H new ATOM 0 HE3 MET B 227 -7.477 13.320 -12.585 1.00 0.00 H new ATOM 1533 N PRO B 228 -6.168 10.832 -9.309 1.00 0.00 N ATOM 1534 CA PRO B 228 -5.903 9.388 -9.168 1.00 0.00 C ATOM 1535 C PRO B 228 -4.570 8.920 -9.772 1.00 0.00 C ATOM 1536 O PRO B 228 -3.967 9.597 -10.617 1.00 0.00 O ATOM 1537 CB PRO B 228 -7.083 8.733 -9.899 1.00 0.00 C ATOM 1538 CG PRO B 228 -7.573 9.774 -10.840 1.00 0.00 C ATOM 1539 CD PRO B 228 -7.360 11.082 -10.145 1.00 0.00 C ATOM 0 HA PRO B 228 -5.815 9.118 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO B 228 -6.769 7.835 -10.431 1.00 0.00 H new ATOM 0 HB3 PRO B 228 -7.864 8.433 -9.200 1.00 0.00 H new ATOM 0 HG2 PRO B 228 -7.027 9.738 -11.782 1.00 0.00 H new ATOM 0 HG3 PRO B 228 -8.626 9.623 -11.076 1.00 0.00 H new ATOM 0 HD2 PRO B 228 -7.191 11.892 -10.855 1.00 0.00 H new ATOM 0 HD3 PRO B 228 -8.223 11.362 -9.541 1.00 0.00 H new ATOM 1547 N GLY B 229 -4.133 7.762 -9.328 1.00 0.00 N ATOM 1548 CA GLY B 229 -2.888 7.182 -9.767 1.00 0.00 C ATOM 1549 C GLY B 229 -2.986 6.493 -11.105 1.00 0.00 C ATOM 1550 O GLY B 229 -4.085 6.272 -11.634 1.00 0.00 O ATOM 0 H GLY B 229 -4.637 7.194 -8.647 1.00 0.00 H new ATOM 0 HA2 GLY B 229 -2.132 7.965 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY B 229 -2.548 6.464 -9.021 1.00 0.00 H new ATOM 1554 N SER B 230 -1.847 6.114 -11.622 1.00 0.00 N ATOM 1555 CA SER B 230 -1.704 5.510 -12.938 1.00 0.00 C ATOM 1556 C SER B 230 -2.242 4.069 -12.966 1.00 0.00 C ATOM 1557 O SER B 230 -2.498 3.501 -14.030 1.00 0.00 O ATOM 1558 CB SER B 230 -0.215 5.503 -13.270 1.00 0.00 C ATOM 1559 OG SER B 230 0.351 6.782 -13.003 1.00 0.00 O ATOM 0 H SER B 230 -0.960 6.217 -11.130 1.00 0.00 H new ATOM 0 HA SER B 230 -2.279 6.083 -13.666 1.00 0.00 H new ATOM 0 HB2 SER B 230 0.294 4.741 -12.680 1.00 0.00 H new ATOM 0 HB3 SER B 230 -0.069 5.244 -14.319 1.00 0.00 H new ATOM 0 HG SER B 230 1.307 6.768 -13.217 1.00 0.00 H new ATOM 1565 N ARG B 231 -2.437 3.494 -11.802 1.00 0.00 N ATOM 1566 CA ARG B 231 -2.830 2.100 -11.702 1.00 0.00 C ATOM 1567 C ARG B 231 -4.343 1.966 -11.622 1.00 0.00 C ATOM 1568 O ARG B 231 -4.869 0.856 -11.529 1.00 0.00 O ATOM 1569 CB ARG B 231 -2.210 1.484 -10.456 1.00 0.00 C ATOM 1570 CG ARG B 231 -0.718 1.732 -10.305 1.00 0.00 C ATOM 1571 CD ARG B 231 0.089 1.105 -11.419 1.00 0.00 C ATOM 1572 NE ARG B 231 0.000 -0.354 -11.418 1.00 0.00 N ATOM 1573 CZ ARG B 231 1.030 -1.168 -11.673 1.00 0.00 C ATOM 1574 NH1 ARG B 231 2.223 -0.658 -11.985 1.00 0.00 N ATOM 1575 NH2 ARG B 231 0.864 -2.483 -11.621 1.00 0.00 N ATOM 0 H ARG B 231 -2.330 3.969 -10.906 1.00 0.00 H new ATOM 0 HA ARG B 231 -2.478 1.581 -12.593 1.00 0.00 H new ATOM 0 HB2 ARG B 231 -2.722 1.879 -9.578 1.00 0.00 H new ATOM 0 HB3 ARG B 231 -2.387 0.409 -10.471 1.00 0.00 H new ATOM 0 HG2 ARG B 231 -0.532 2.806 -10.286 1.00 0.00 H new ATOM 0 HG3 ARG B 231 -0.382 1.333 -9.348 1.00 0.00 H new ATOM 0 HD2 ARG B 231 -0.262 1.487 -12.378 1.00 0.00 H new ATOM 0 HD3 ARG B 231 1.133 1.403 -11.320 1.00 0.00 H new ATOM 0 HE ARG B 231 -0.904 -0.778 -11.210 1.00 0.00 H new ATOM 0 HH11 ARG B 231 2.350 0.353 -12.029 1.00 0.00 H new ATOM 0 HH12 ARG B 231 3.008 -1.279 -12.179 1.00 0.00 H new ATOM 0 HH21 ARG B 231 -0.049 -2.873 -11.387 1.00 0.00 H new ATOM 0 HH22 ARG B 231 1.649 -3.104 -11.815 1.00 0.00 H new ATOM 1589 N TRP B 232 -5.029 3.089 -11.654 1.00 0.00 N ATOM 1590 CA TRP B 232 -6.462 3.111 -11.518 1.00 0.00 C ATOM 1591 C TRP B 232 -7.163 2.649 -12.764 1.00 0.00 C ATOM 1592 O TRP B 232 -6.923 3.126 -13.882 1.00 0.00 O ATOM 1593 CB TRP B 232 -6.984 4.488 -11.065 1.00 0.00 C ATOM 1594 CG TRP B 232 -8.468 4.521 -10.754 1.00 0.00 C ATOM 1595 CD1 TRP B 232 -9.179 3.611 -10.019 1.00 0.00 C ATOM 1596 CD2 TRP B 232 -9.407 5.528 -11.141 1.00 0.00 C ATOM 1597 NE1 TRP B 232 -10.491 3.987 -9.932 1.00 0.00 N ATOM 1598 CE2 TRP B 232 -10.659 5.161 -10.607 1.00 0.00 C ATOM 1599 CE3 TRP B 232 -9.315 6.701 -11.886 1.00 0.00 C ATOM 1600 CZ2 TRP B 232 -11.801 5.925 -10.795 1.00 0.00 C ATOM 1601 CZ3 TRP B 232 -10.452 7.459 -12.070 1.00 0.00 C ATOM 1602 CH2 TRP B 232 -11.679 7.069 -11.528 1.00 0.00 C ATOM 0 H TRP B 232 -4.605 4.009 -11.775 1.00 0.00 H new ATOM 0 HA TRP B 232 -6.700 2.397 -10.730 1.00 0.00 H new ATOM 0 HB2 TRP B 232 -6.432 4.799 -10.178 1.00 0.00 H new ATOM 0 HB3 TRP B 232 -6.772 5.219 -11.845 1.00 0.00 H new ATOM 0 HD1 TRP B 232 -8.762 2.721 -9.571 1.00 0.00 H new ATOM 0 HE1 TRP B 232 -11.224 3.474 -9.443 1.00 0.00 H new ATOM 0 HE3 TRP B 232 -8.372 7.011 -12.311 1.00 0.00 H new ATOM 0 HZ2 TRP B 232 -12.751 5.626 -10.377 1.00 0.00 H new ATOM 0 HZ3 TRP B 232 -10.393 8.372 -12.644 1.00 0.00 H new ATOM 0 HH2 TRP B 232 -12.550 7.686 -11.693 1.00 0.00 H new ATOM 1613 N ASP B 233 -7.999 1.730 -12.535 1.00 0.00 N ATOM 1614 CA ASP B 233 -8.892 1.161 -13.466 1.00 0.00 C ATOM 1615 C ASP B 233 -10.206 1.365 -12.813 1.00 0.00 C ATOM 1616 O ASP B 233 -10.227 1.361 -11.613 1.00 0.00 O ATOM 1617 CB ASP B 233 -8.603 -0.338 -13.630 1.00 0.00 C ATOM 1618 CG ASP B 233 -9.622 -1.060 -14.475 1.00 0.00 C ATOM 1619 OD1 ASP B 233 -9.634 -0.871 -15.716 1.00 0.00 O ATOM 1620 OD2 ASP B 233 -10.404 -1.856 -13.919 1.00 0.00 O ATOM 0 H ASP B 233 -8.091 1.312 -11.609 1.00 0.00 H new ATOM 0 HA ASP B 233 -8.826 1.597 -14.463 1.00 0.00 H new ATOM 0 HB2 ASP B 233 -7.617 -0.463 -14.079 1.00 0.00 H new ATOM 0 HB3 ASP B 233 -8.566 -0.802 -12.645 1.00 0.00 H new ATOM 1625 N GLY B 234 -11.226 1.633 -13.596 1.00 0.00 N ATOM 1626 CA GLY B 234 -12.638 1.916 -13.213 1.00 0.00 C ATOM 1627 C GLY B 234 -13.227 1.045 -12.122 1.00 0.00 C ATOM 1628 O GLY B 234 -14.166 0.276 -12.325 1.00 0.00 O ATOM 0 H GLY B 234 -11.105 1.668 -14.608 1.00 0.00 H new ATOM 0 HA2 GLY B 234 -12.703 2.956 -12.893 1.00 0.00 H new ATOM 0 HA3 GLY B 234 -13.260 1.817 -14.103 1.00 0.00 H new ATOM 1714 N GLY B 240 -19.322 4.632 1.724 1.00 0.00 N ATOM 1715 CA GLY B 240 -20.634 5.019 2.128 1.00 0.00 C ATOM 1716 C GLY B 240 -21.496 3.800 2.334 1.00 0.00 C ATOM 1717 O GLY B 240 -22.552 3.687 1.765 1.00 0.00 O ATOM 0 HA2 GLY B 240 -20.583 5.597 3.051 1.00 0.00 H new ATOM 0 HA3 GLY B 240 -21.080 5.665 1.372 1.00 0.00 H new ATOM 1721 N PHE B 241 -21.018 2.890 3.148 1.00 0.00 N ATOM 1722 CA PHE B 241 -21.691 1.633 3.399 1.00 0.00 C ATOM 1723 C PHE B 241 -22.900 1.801 4.308 1.00 0.00 C ATOM 1724 O PHE B 241 -23.909 1.113 4.143 1.00 0.00 O ATOM 1725 CB PHE B 241 -20.704 0.566 3.943 1.00 0.00 C ATOM 1726 CG PHE B 241 -19.916 0.961 5.177 1.00 0.00 C ATOM 1727 CD1 PHE B 241 -20.455 0.818 6.436 1.00 0.00 C ATOM 1728 CD2 PHE B 241 -18.630 1.457 5.066 1.00 0.00 C ATOM 1729 CE1 PHE B 241 -19.740 1.160 7.561 1.00 0.00 C ATOM 1730 CE2 PHE B 241 -17.909 1.805 6.193 1.00 0.00 C ATOM 1731 CZ PHE B 241 -18.467 1.655 7.439 1.00 0.00 C ATOM 0 H PHE B 241 -20.143 3.000 3.661 1.00 0.00 H new ATOM 0 HA PHE B 241 -22.070 1.273 2.442 1.00 0.00 H new ATOM 0 HB2 PHE B 241 -21.267 -0.340 4.169 1.00 0.00 H new ATOM 0 HB3 PHE B 241 -19.999 0.314 3.151 1.00 0.00 H new ATOM 0 HD1 PHE B 241 -21.457 0.430 6.543 1.00 0.00 H new ATOM 0 HD2 PHE B 241 -18.184 1.574 4.089 1.00 0.00 H new ATOM 0 HE1 PHE B 241 -20.181 1.039 8.539 1.00 0.00 H new ATOM 0 HE2 PHE B 241 -16.907 2.195 6.094 1.00 0.00 H new ATOM 0 HZ PHE B 241 -17.905 1.926 8.320 1.00 0.00 H new ATOM 1741 N GLU B 242 -22.801 2.736 5.237 1.00 0.00 N ATOM 1742 CA GLU B 242 -23.856 2.986 6.206 1.00 0.00 C ATOM 1743 C GLU B 242 -25.135 3.412 5.533 1.00 0.00 C ATOM 1744 O GLU B 242 -26.198 2.888 5.837 1.00 0.00 O ATOM 1745 CB GLU B 242 -23.414 4.028 7.209 1.00 0.00 C ATOM 1746 CG GLU B 242 -22.356 3.559 8.176 1.00 0.00 C ATOM 1747 CD GLU B 242 -22.937 2.749 9.301 1.00 0.00 C ATOM 1748 OE1 GLU B 242 -23.309 3.351 10.320 1.00 0.00 O ATOM 1749 OE2 GLU B 242 -23.017 1.516 9.207 1.00 0.00 O ATOM 0 H GLU B 242 -21.988 3.343 5.342 1.00 0.00 H new ATOM 0 HA GLU B 242 -24.053 2.052 6.731 1.00 0.00 H new ATOM 0 HB2 GLU B 242 -23.035 4.896 6.669 1.00 0.00 H new ATOM 0 HB3 GLU B 242 -24.284 4.360 7.776 1.00 0.00 H new ATOM 0 HG2 GLU B 242 -21.618 2.960 7.643 1.00 0.00 H new ATOM 0 HG3 GLU B 242 -21.831 4.422 8.585 1.00 0.00 H new ATOM 1756 N GLU B 243 -25.022 4.320 4.584 1.00 0.00 N ATOM 1757 CA GLU B 243 -26.178 4.819 3.868 1.00 0.00 C ATOM 1758 C GLU B 243 -26.871 3.709 3.100 1.00 0.00 C ATOM 1759 O GLU B 243 -28.071 3.738 2.932 1.00 0.00 O ATOM 1760 CB GLU B 243 -25.842 5.950 2.913 1.00 0.00 C ATOM 1761 CG GLU B 243 -24.907 5.561 1.796 1.00 0.00 C ATOM 1762 CD GLU B 243 -24.868 6.594 0.721 1.00 0.00 C ATOM 1763 OE1 GLU B 243 -25.810 6.643 -0.095 1.00 0.00 O ATOM 1764 OE2 GLU B 243 -23.917 7.393 0.668 1.00 0.00 O ATOM 0 H GLU B 243 -24.135 4.729 4.290 1.00 0.00 H new ATOM 0 HA GLU B 243 -26.848 5.213 4.632 1.00 0.00 H new ATOM 0 HB2 GLU B 243 -26.767 6.332 2.481 1.00 0.00 H new ATOM 0 HB3 GLU B 243 -25.394 6.767 3.479 1.00 0.00 H new ATOM 0 HG2 GLU B 243 -23.904 5.415 2.196 1.00 0.00 H new ATOM 0 HG3 GLU B 243 -25.223 4.608 1.373 1.00 0.00 H new ATOM 1771 N LYS B 244 -26.088 2.763 2.596 1.00 0.00 N ATOM 1772 CA LYS B 244 -26.609 1.651 1.821 1.00 0.00 C ATOM 1773 C LYS B 244 -27.488 0.797 2.712 1.00 0.00 C ATOM 1774 O LYS B 244 -28.620 0.475 2.371 1.00 0.00 O ATOM 1775 CB LYS B 244 -25.444 0.818 1.304 1.00 0.00 C ATOM 1776 CG LYS B 244 -24.387 1.628 0.578 1.00 0.00 C ATOM 1777 CD LYS B 244 -24.803 2.067 -0.806 1.00 0.00 C ATOM 1778 CE LYS B 244 -23.697 2.886 -1.460 1.00 0.00 C ATOM 1779 NZ LYS B 244 -24.035 3.286 -2.837 1.00 0.00 N ATOM 0 H LYS B 244 -25.075 2.748 2.715 1.00 0.00 H new ATOM 0 HA LYS B 244 -27.194 2.022 0.979 1.00 0.00 H new ATOM 0 HB2 LYS B 244 -24.979 0.300 2.143 1.00 0.00 H new ATOM 0 HB3 LYS B 244 -25.828 0.052 0.630 1.00 0.00 H new ATOM 0 HG2 LYS B 244 -24.146 2.510 1.172 1.00 0.00 H new ATOM 0 HG3 LYS B 244 -23.475 1.035 0.503 1.00 0.00 H new ATOM 0 HD2 LYS B 244 -25.028 1.194 -1.419 1.00 0.00 H new ATOM 0 HD3 LYS B 244 -25.716 2.659 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS B 244 -23.506 3.777 -0.862 1.00 0.00 H new ATOM 0 HE3 LYS B 244 -22.775 2.305 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 244 -23.253 3.841 -3.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 244 -24.191 2.437 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 244 -24.900 3.863 -2.828 1.00 0.00 H new ATOM 1793 N TRP B 245 -26.971 0.487 3.881 1.00 0.00 N ATOM 1794 CA TRP B 245 -27.693 -0.285 4.863 1.00 0.00 C ATOM 1795 C TRP B 245 -28.898 0.491 5.377 1.00 0.00 C ATOM 1796 O TRP B 245 -29.969 -0.065 5.573 1.00 0.00 O ATOM 1797 CB TRP B 245 -26.769 -0.725 5.994 1.00 0.00 C ATOM 1798 CG TRP B 245 -25.620 -1.552 5.502 1.00 0.00 C ATOM 1799 CD1 TRP B 245 -25.603 -2.333 4.388 1.00 0.00 C ATOM 1800 CD2 TRP B 245 -24.336 -1.705 6.115 1.00 0.00 C ATOM 1801 NE1 TRP B 245 -24.391 -2.923 4.246 1.00 0.00 N ATOM 1802 CE2 TRP B 245 -23.592 -2.569 5.296 1.00 0.00 C ATOM 1803 CE3 TRP B 245 -23.741 -1.191 7.266 1.00 0.00 C ATOM 1804 CZ2 TRP B 245 -22.284 -2.930 5.591 1.00 0.00 C ATOM 1805 CZ3 TRP B 245 -22.444 -1.556 7.559 1.00 0.00 C ATOM 1806 CH2 TRP B 245 -21.730 -2.417 6.723 1.00 0.00 C ATOM 0 H TRP B 245 -26.035 0.765 4.176 1.00 0.00 H new ATOM 0 HA TRP B 245 -28.070 -1.190 4.386 1.00 0.00 H new ATOM 0 HB2 TRP B 245 -26.385 0.155 6.510 1.00 0.00 H new ATOM 0 HB3 TRP B 245 -27.340 -1.299 6.724 1.00 0.00 H new ATOM 0 HD1 TRP B 245 -26.436 -2.464 3.713 1.00 0.00 H new ATOM 0 HE1 TRP B 245 -24.119 -3.535 3.477 1.00 0.00 H new ATOM 0 HE3 TRP B 245 -24.285 -0.521 7.915 1.00 0.00 H new ATOM 0 HZ2 TRP B 245 -21.727 -3.593 4.946 1.00 0.00 H new ATOM 0 HZ3 TRP B 245 -21.972 -1.169 8.450 1.00 0.00 H new ATOM 0 HH2 TRP B 245 -20.715 -2.682 6.981 1.00 0.00 H new ATOM 1817 N PHE B 246 -28.728 1.778 5.525 1.00 0.00 N ATOM 1818 CA PHE B 246 -29.793 2.674 5.936 1.00 0.00 C ATOM 1819 C PHE B 246 -30.880 2.764 4.852 1.00 0.00 C ATOM 1820 O PHE B 246 -32.057 2.974 5.145 1.00 0.00 O ATOM 1821 CB PHE B 246 -29.181 4.052 6.274 1.00 0.00 C ATOM 1822 CG PHE B 246 -30.093 5.233 6.119 1.00 0.00 C ATOM 1823 CD1 PHE B 246 -30.900 5.662 7.153 1.00 0.00 C ATOM 1824 CD2 PHE B 246 -30.124 5.914 4.915 1.00 0.00 C ATOM 1825 CE1 PHE B 246 -31.728 6.756 6.983 1.00 0.00 C ATOM 1826 CE2 PHE B 246 -30.943 6.999 4.734 1.00 0.00 C ATOM 1827 CZ PHE B 246 -31.751 7.425 5.771 1.00 0.00 C ATOM 0 H PHE B 246 -27.837 2.246 5.363 1.00 0.00 H new ATOM 0 HA PHE B 246 -30.284 2.288 6.829 1.00 0.00 H new ATOM 0 HB2 PHE B 246 -28.824 4.026 7.304 1.00 0.00 H new ATOM 0 HB3 PHE B 246 -28.309 4.206 5.638 1.00 0.00 H new ATOM 0 HD1 PHE B 246 -30.885 5.141 8.099 1.00 0.00 H new ATOM 0 HD2 PHE B 246 -29.492 5.585 4.103 1.00 0.00 H new ATOM 0 HE1 PHE B 246 -32.357 7.089 7.796 1.00 0.00 H new ATOM 0 HE2 PHE B 246 -30.956 7.517 3.787 1.00 0.00 H new ATOM 0 HZ PHE B 246 -32.399 8.278 5.636 1.00 0.00 H new ATOM 1837 N ALA B 247 -30.488 2.609 3.626 1.00 0.00 N ATOM 1838 CA ALA B 247 -31.408 2.658 2.527 1.00 0.00 C ATOM 1839 C ALA B 247 -32.190 1.352 2.411 1.00 0.00 C ATOM 1840 O ALA B 247 -33.397 1.362 2.226 1.00 0.00 O ATOM 1841 CB ALA B 247 -30.655 2.967 1.245 1.00 0.00 C ATOM 0 H ALA B 247 -29.518 2.444 3.356 1.00 0.00 H new ATOM 0 HA ALA B 247 -32.132 3.453 2.705 1.00 0.00 H new ATOM 0 HB1 ALA B 247 -31.356 3.004 0.411 1.00 0.00 H new ATOM 0 HB2 ALA B 247 -30.154 3.930 1.341 1.00 0.00 H new ATOM 0 HB3 ALA B 247 -29.914 2.189 1.062 1.00 0.00 H new ATOM 1847 N LYS B 248 -31.517 0.232 2.621 1.00 0.00 N ATOM 1848 CA LYS B 248 -32.142 -1.078 2.450 1.00 0.00 C ATOM 1849 C LYS B 248 -32.952 -1.470 3.658 1.00 0.00 C ATOM 1850 O LYS B 248 -33.859 -2.305 3.569 1.00 0.00 O ATOM 1851 CB LYS B 248 -31.097 -2.151 2.088 1.00 0.00 C ATOM 1852 CG LYS B 248 -29.951 -2.310 3.089 1.00 0.00 C ATOM 1853 CD LYS B 248 -30.304 -3.126 4.337 1.00 0.00 C ATOM 1854 CE LYS B 248 -30.611 -4.576 4.022 1.00 0.00 C ATOM 1855 NZ LYS B 248 -30.968 -5.326 5.234 1.00 0.00 N ATOM 0 H LYS B 248 -30.539 0.199 2.910 1.00 0.00 H new ATOM 0 HA LYS B 248 -32.837 -1.004 1.613 1.00 0.00 H new ATOM 0 HB2 LYS B 248 -31.605 -3.110 1.987 1.00 0.00 H new ATOM 0 HB3 LYS B 248 -30.675 -1.909 1.113 1.00 0.00 H new ATOM 0 HG2 LYS B 248 -29.109 -2.786 2.586 1.00 0.00 H new ATOM 0 HG3 LYS B 248 -29.618 -1.320 3.400 1.00 0.00 H new ATOM 0 HD2 LYS B 248 -29.474 -3.080 5.043 1.00 0.00 H new ATOM 0 HD3 LYS B 248 -31.166 -2.675 4.829 1.00 0.00 H new ATOM 0 HE2 LYS B 248 -31.431 -4.628 3.306 1.00 0.00 H new ATOM 0 HE3 LYS B 248 -29.745 -5.038 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 248 -31.172 -6.314 4.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 248 -30.176 -5.296 5.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 248 -31.810 -4.899 5.671 1.00 0.00 H new ATOM 1869 N GLN B 249 -32.664 -0.816 4.787 1.00 0.00 N ATOM 1870 CA GLN B 249 -33.332 -1.103 6.055 1.00 0.00 C ATOM 1871 C GLN B 249 -34.786 -0.631 6.020 1.00 0.00 C ATOM 1872 O GLN B 249 -35.528 -0.780 6.997 1.00 0.00 O ATOM 1873 CB GLN B 249 -32.585 -0.464 7.242 1.00 0.00 C ATOM 1874 CG GLN B 249 -32.740 1.039 7.362 1.00 0.00 C ATOM 1875 CD GLN B 249 -31.948 1.642 8.517 1.00 0.00 C ATOM 1876 OE1 GLN B 249 -30.798 1.085 8.798 1.00 0.00 O flip ATOM 1877 NE2 GLN B 249 -32.359 2.642 9.124 1.00 0.00 N flip ATOM 0 H GLN B 249 -31.964 -0.076 4.846 1.00 0.00 H new ATOM 0 HA GLN B 249 -33.321 -2.184 6.196 1.00 0.00 H new ATOM 0 HB2 GLN B 249 -32.938 -0.925 8.165 1.00 0.00 H new ATOM 0 HB3 GLN B 249 -31.524 -0.699 7.153 1.00 0.00 H new ATOM 0 HG2 GLN B 249 -32.420 1.505 6.430 1.00 0.00 H new ATOM 0 HG3 GLN B 249 -33.795 1.278 7.492 1.00 0.00 H new ATOM 0 HE21 GLN B 249 -33.261 3.052 8.880 1.00 0.00 H new ATOM 0 HE22 GLN B 249 -31.795 3.055 9.867 1.00 0.00 H new ATOM 1886 N ASN B 250 -35.166 -0.049 4.876 1.00 0.00 N ATOM 1887 CA ASN B 250 -36.531 0.416 4.623 1.00 0.00 C ATOM 1888 C ASN B 250 -37.511 -0.741 4.770 1.00 0.00 C ATOM 1889 O ASN B 250 -38.656 -0.558 5.190 1.00 0.00 O ATOM 1890 CB ASN B 250 -36.683 1.060 3.223 1.00 0.00 C ATOM 1891 CG ASN B 250 -36.649 0.068 2.075 1.00 0.00 C ATOM 1892 OD1 ASN B 250 -37.678 -0.456 1.644 1.00 0.00 O ATOM 1893 ND2 ASN B 250 -35.497 -0.168 1.567 1.00 0.00 N ATOM 0 H ASN B 250 -34.529 0.113 4.096 1.00 0.00 H new ATOM 0 HA ASN B 250 -36.753 1.186 5.362 1.00 0.00 H new ATOM 0 HB2 ASN B 250 -37.625 1.607 3.188 1.00 0.00 H new ATOM 0 HB3 ASN B 250 -35.885 1.789 3.082 1.00 0.00 H new ATOM 0 HD21 ASN B 250 -35.409 -0.809 0.778 1.00 0.00 H new ATOM 0 HD22 ASN B 250 -34.668 0.285 1.951 1.00 0.00 H new ATOM 1900 N GLU B 251 -37.047 -1.931 4.430 1.00 0.00 N ATOM 1901 CA GLU B 251 -37.823 -3.120 4.584 1.00 0.00 C ATOM 1902 C GLU B 251 -37.557 -3.681 5.954 1.00 0.00 C ATOM 1903 O GLU B 251 -36.477 -4.214 6.233 1.00 0.00 O ATOM 1904 CB GLU B 251 -37.498 -4.137 3.509 1.00 0.00 C ATOM 1905 CG GLU B 251 -37.812 -3.653 2.101 1.00 0.00 C ATOM 1906 CD GLU B 251 -37.517 -4.675 1.042 1.00 0.00 C ATOM 1907 OE1 GLU B 251 -38.160 -5.747 1.042 1.00 0.00 O ATOM 1908 OE2 GLU B 251 -36.636 -4.432 0.186 1.00 0.00 O ATOM 0 H GLU B 251 -36.118 -2.086 4.040 1.00 0.00 H new ATOM 0 HA GLU B 251 -38.881 -2.880 4.478 1.00 0.00 H new ATOM 0 HB2 GLU B 251 -36.440 -4.392 3.569 1.00 0.00 H new ATOM 0 HB3 GLU B 251 -38.058 -5.051 3.704 1.00 0.00 H new ATOM 0 HG2 GLU B 251 -38.865 -3.376 2.046 1.00 0.00 H new ATOM 0 HG3 GLU B 251 -37.234 -2.751 1.897 1.00 0.00 H new ATOM 1915 N ILE B 252 -38.520 -3.529 6.804 1.00 0.00 N ATOM 1916 CA ILE B 252 -38.381 -3.896 8.201 1.00 0.00 C ATOM 1917 C ILE B 252 -38.852 -5.310 8.474 1.00 0.00 C ATOM 1918 O ILE B 252 -38.282 -6.021 9.284 1.00 0.00 O ATOM 1919 CB ILE B 252 -39.120 -2.900 9.138 1.00 0.00 C ATOM 1920 CG1 ILE B 252 -40.618 -2.789 8.786 1.00 0.00 C ATOM 1921 CG2 ILE B 252 -38.457 -1.531 9.069 1.00 0.00 C ATOM 1922 CD1 ILE B 252 -41.420 -1.920 9.735 1.00 0.00 C ATOM 0 H ILE B 252 -39.434 -3.147 6.561 1.00 0.00 H new ATOM 0 HA ILE B 252 -37.314 -3.848 8.418 1.00 0.00 H new ATOM 0 HB ILE B 252 -39.050 -3.284 10.156 1.00 0.00 H new ATOM 0 HG12 ILE B 252 -40.713 -2.388 7.777 1.00 0.00 H new ATOM 0 HG13 ILE B 252 -41.051 -3.789 8.774 1.00 0.00 H new ATOM 0 HG21 ILE B 252 -38.981 -0.839 9.728 1.00 0.00 H new ATOM 0 HG22 ILE B 252 -37.417 -1.614 9.383 1.00 0.00 H new ATOM 0 HG23 ILE B 252 -38.498 -1.158 8.046 1.00 0.00 H new ATOM 0 HD11 ILE B 252 -42.462 -1.897 9.415 1.00 0.00 H new ATOM 0 HD12 ILE B 252 -41.360 -2.330 10.743 1.00 0.00 H new ATOM 0 HD13 ILE B 252 -41.016 -0.908 9.730 1.00 0.00 H new ATOM 1934 N ASN B 253 -39.855 -5.724 7.757 1.00 0.00 N ATOM 1935 CA ASN B 253 -40.465 -7.033 7.971 1.00 0.00 C ATOM 1936 C ASN B 253 -39.786 -8.074 7.145 1.00 0.00 C ATOM 1937 O ASN B 253 -40.013 -9.267 7.310 1.00 0.00 O ATOM 1938 CB ASN B 253 -41.936 -6.986 7.604 1.00 0.00 C ATOM 1939 CG ASN B 253 -42.174 -6.713 6.131 1.00 0.00 C ATOM 1940 OD1 ASN B 253 -42.285 -7.624 5.321 1.00 0.00 O ATOM 1941 ND2 ASN B 253 -42.261 -5.458 5.775 1.00 0.00 N ATOM 0 H ASN B 253 -40.282 -5.179 7.008 1.00 0.00 H new ATOM 0 HA ASN B 253 -40.357 -7.290 9.025 1.00 0.00 H new ATOM 0 HB2 ASN B 253 -42.401 -7.935 7.871 1.00 0.00 H new ATOM 0 HB3 ASN B 253 -42.427 -6.213 8.195 1.00 0.00 H new ATOM 0 HD21 ASN B 253 -42.426 -5.215 4.798 1.00 0.00 H new ATOM 0 HD22 ASN B 253 -42.164 -4.722 6.474 1.00 0.00 H new ATOM 1948 N GLU B 254 -38.979 -7.618 6.252 1.00 0.00 N ATOM 1949 CA GLU B 254 -38.301 -8.482 5.341 1.00 0.00 C ATOM 1950 C GLU B 254 -36.872 -8.732 5.784 1.00 0.00 C ATOM 1951 O GLU B 254 -36.265 -7.910 6.470 1.00 0.00 O ATOM 1952 CB GLU B 254 -38.360 -7.915 3.939 1.00 0.00 C ATOM 1953 CG GLU B 254 -38.833 -8.915 2.899 1.00 0.00 C ATOM 1954 CD GLU B 254 -37.889 -10.054 2.700 1.00 0.00 C ATOM 1955 OE1 GLU B 254 -37.974 -11.043 3.436 1.00 0.00 O ATOM 1956 OE2 GLU B 254 -37.029 -9.963 1.830 1.00 0.00 O ATOM 0 H GLU B 254 -38.767 -6.628 6.130 1.00 0.00 H new ATOM 0 HA GLU B 254 -38.808 -9.447 5.336 1.00 0.00 H new ATOM 0 HB2 GLU B 254 -39.027 -7.053 3.932 1.00 0.00 H new ATOM 0 HB3 GLU B 254 -37.370 -7.554 3.660 1.00 0.00 H new ATOM 0 HG2 GLU B 254 -39.805 -9.307 3.198 1.00 0.00 H new ATOM 0 HG3 GLU B 254 -38.975 -8.400 1.949 1.00 0.00 H new