USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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 48 GLN : amide:sc= -6.81! C(o=-14!,f=-25!) USER MOD Set 1.2: A 94 MET CE :methyl -117:sc= -4.8! (180deg=-11.2!) USER MOD Set 1.3: A 99 GLN : amide:sc= -1.92! C(o=-14!,f=-16!) USER MOD Single : A 14 HIS : no HD1:sc= -14.8! C(o=-15!,f=-21!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.39 F(o=-3.9!,f=-1.4) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 25:sc= -0.912! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 78:sc= 0.87 USER MOD Single : A 47 GLN : amide:sc= -2.96! C(o=-3!,f=-2.7!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc=-0.00213 USER MOD Single : A 66 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.9!) USER MOD Single : A 70 MET CE :methyl -168:sc= 0 (180deg=-0.0407) USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 74 TYR OH : rot 114:sc= 0.128 USER MOD Single : A 79 TYR OH : rot -140:sc= -1.9 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN :FLIP amide:sc= 1.03 F(o=-0.37,f=1) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.864 K(o=-0.86,f=-3.6!) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -13.2! C(o=-17!,f=-13!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -5.46! C(o=-7.9!,f=-5.5!) USER MOD Single : A 104 LYS NZ :NH3+ -160:sc= -0.0819 (180deg=-0.66) USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 10 -6.292 4.595 -8.573 1.00 0.00 N ATOM 106 CA ALA A 10 -5.562 4.011 -7.460 1.00 0.00 C ATOM 107 C ALA A 10 -4.625 2.922 -7.985 1.00 0.00 C ATOM 108 O ALA A 10 -4.997 1.750 -8.040 1.00 0.00 O ATOM 109 CB ALA A 10 -6.553 3.477 -6.423 1.00 0.00 C ATOM 0 HA ALA A 10 -4.948 4.765 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.006 3.039 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.175 4.295 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.185 2.716 -6.882 1.00 0.00 H new ATOM 115 N PRO A 11 -3.396 3.357 -8.370 1.00 0.00 N ATOM 116 CA PRO A 11 -2.402 2.434 -8.889 1.00 0.00 C ATOM 117 C PRO A 11 -1.791 1.595 -7.764 1.00 0.00 C ATOM 118 O PRO A 11 -2.069 1.831 -6.589 1.00 0.00 O ATOM 119 CB PRO A 11 -1.382 3.310 -9.597 1.00 0.00 C ATOM 120 CG PRO A 11 -1.590 4.714 -9.054 1.00 0.00 C ATOM 121 CD PRO A 11 -2.920 4.737 -8.319 1.00 0.00 C ATOM 0 HA PRO A 11 -2.827 1.704 -9.578 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.367 2.963 -9.403 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.527 3.283 -10.677 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.777 4.987 -8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.590 5.441 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.798 5.076 -7.290 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.625 5.417 -8.797 1.00 0.00 H new ATOM 129 N PRO A 12 -0.950 0.609 -8.174 1.00 0.00 N ATOM 130 CA PRO A 12 -0.298 -0.265 -7.215 1.00 0.00 C ATOM 131 C PRO A 12 0.844 0.460 -6.500 1.00 0.00 C ATOM 132 O PRO A 12 1.964 0.514 -7.008 1.00 0.00 O ATOM 133 CB PRO A 12 0.174 -1.460 -8.027 1.00 0.00 C ATOM 134 CG PRO A 12 0.182 -1.001 -9.477 1.00 0.00 C ATOM 135 CD PRO A 12 -0.599 0.300 -9.557 1.00 0.00 C ATOM 0 HA PRO A 12 -0.967 -0.583 -6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.168 -1.778 -7.712 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.491 -2.312 -7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.204 -0.855 -9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.269 -1.757 -10.120 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.001 1.095 -10.000 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.489 0.190 -10.176 1.00 0.00 H new ATOM 143 N ASP A 13 0.524 0.998 -5.333 1.00 0.00 N ATOM 144 CA ASP A 13 1.508 1.720 -4.545 1.00 0.00 C ATOM 145 C ASP A 13 2.833 0.954 -4.567 1.00 0.00 C ATOM 146 O ASP A 13 3.901 1.551 -4.441 1.00 0.00 O ATOM 147 CB ASP A 13 1.060 1.848 -3.088 1.00 0.00 C ATOM 148 CG ASP A 13 1.780 2.933 -2.283 1.00 0.00 C ATOM 149 OD1 ASP A 13 1.286 4.064 -2.153 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.907 2.575 -1.771 1.00 0.00 O ATOM 0 H ASP A 13 -0.404 0.948 -4.913 1.00 0.00 H new ATOM 0 HA ASP A 13 1.622 2.715 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.010 2.053 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.210 0.889 -2.592 1.00 0.00 H new ATOM 156 N HIS A 14 2.719 -0.356 -4.728 1.00 0.00 N ATOM 157 CA HIS A 14 3.894 -1.210 -4.768 1.00 0.00 C ATOM 158 C HIS A 14 3.590 -2.465 -5.587 1.00 0.00 C ATOM 159 O HIS A 14 2.461 -2.956 -5.581 1.00 0.00 O ATOM 160 CB HIS A 14 4.382 -1.529 -3.353 1.00 0.00 C ATOM 161 CG HIS A 14 3.784 -2.787 -2.767 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.214 -2.828 -1.507 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.674 -4.045 -3.281 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.784 -4.060 -1.283 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.070 -4.813 -2.384 1.00 0.00 N ATOM 0 H HIS A 14 1.831 -0.847 -4.832 1.00 0.00 H new ATOM 0 HA HIS A 14 4.712 -0.686 -5.263 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.467 -1.627 -3.367 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.147 -0.688 -2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.020 -4.362 -4.254 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.293 -4.408 -0.386 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.855 -5.803 -2.499 1.00 0.00 H new ATOM 173 N LEU A 15 4.615 -2.949 -6.273 1.00 0.00 N ATOM 174 CA LEU A 15 4.470 -4.137 -7.097 1.00 0.00 C ATOM 175 C LEU A 15 5.555 -5.148 -6.721 1.00 0.00 C ATOM 176 O LEU A 15 6.673 -4.765 -6.380 1.00 0.00 O ATOM 177 CB LEU A 15 4.465 -3.765 -8.581 1.00 0.00 C ATOM 178 CG LEU A 15 3.204 -3.067 -9.092 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.452 -2.413 -10.453 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.018 -4.035 -9.129 1.00 0.00 C ATOM 0 H LEU A 15 5.549 -2.540 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 15 3.508 -4.614 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.319 -3.117 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.615 -4.674 -9.164 1.00 0.00 H new ATOM 0 HG LEU A 15 2.948 -2.270 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.539 -1.924 -10.793 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.248 -1.674 -10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.746 -3.175 -11.175 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.134 -3.513 -9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.249 -4.868 -9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.825 -4.413 -8.125 1.00 0.00 H new ATOM 192 N TRP A 16 5.188 -6.418 -6.794 1.00 0.00 N ATOM 193 CA TRP A 16 6.116 -7.487 -6.466 1.00 0.00 C ATOM 194 C TRP A 16 6.089 -8.505 -7.608 1.00 0.00 C ATOM 195 O TRP A 16 5.084 -9.183 -7.815 1.00 0.00 O ATOM 196 CB TRP A 16 5.783 -8.104 -5.107 1.00 0.00 C ATOM 197 CG TRP A 16 6.070 -7.185 -3.918 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.134 -6.393 -3.727 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.235 -6.993 -2.757 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.045 -5.707 -2.532 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.854 -6.084 -1.923 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.997 -7.570 -2.422 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.310 -5.671 -0.702 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.467 -7.147 -1.197 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.077 -6.232 -0.347 1.00 0.00 C ATOM 0 H TRP A 16 4.259 -6.732 -7.076 1.00 0.00 H new ATOM 0 HA TRP A 16 7.131 -7.100 -6.369 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.729 -8.380 -5.093 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.355 -9.024 -4.988 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.957 -6.303 -4.420 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.728 -5.045 -2.164 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.495 -8.283 -3.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.814 -4.958 -0.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.517 -7.561 -0.891 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.602 -5.955 0.583 1.00 0.00 H new ATOM 216 N VAL A 17 7.204 -8.580 -8.318 1.00 0.00 N ATOM 217 CA VAL A 17 7.321 -9.503 -9.433 1.00 0.00 C ATOM 218 C VAL A 17 7.425 -10.933 -8.898 1.00 0.00 C ATOM 219 O VAL A 17 8.364 -11.261 -8.175 1.00 0.00 O ATOM 220 CB VAL A 17 8.505 -9.109 -10.319 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.824 -9.226 -9.553 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.536 -9.947 -11.598 1.00 0.00 C ATOM 0 H VAL A 17 8.036 -8.016 -8.143 1.00 0.00 H new ATOM 0 HA VAL A 17 6.432 -9.455 -10.062 1.00 0.00 H new ATOM 0 HB VAL A 17 8.376 -8.066 -10.607 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.650 -8.941 -10.205 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.801 -8.566 -8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.962 -10.255 -9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.387 -9.647 -12.209 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.629 -11.002 -11.340 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.614 -9.791 -12.158 1.00 0.00 H new ATOM 232 N HIS A 18 6.448 -11.745 -9.274 1.00 0.00 N ATOM 233 CA HIS A 18 6.419 -13.131 -8.842 1.00 0.00 C ATOM 234 C HIS A 18 6.572 -14.051 -10.055 1.00 0.00 C ATOM 235 O HIS A 18 7.155 -15.129 -9.953 1.00 0.00 O ATOM 236 CB HIS A 18 5.152 -13.422 -8.034 1.00 0.00 C ATOM 237 CG HIS A 18 4.907 -14.891 -7.784 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.924 -15.955 -8.636 1.00 0.00 N flip ATOM 239 CD2 HIS A 18 4.600 -15.397 -6.532 1.00 0.00 C flip ATOM 240 CE1 HIS A 18 4.645 -17.052 -7.943 1.00 0.00 C flip ATOM 241 NE2 HIS A 18 4.444 -16.708 -6.639 1.00 0.00 N flip ATOM 0 H HIS A 18 5.670 -11.469 -9.873 1.00 0.00 H new ATOM 0 HA HIS A 18 7.259 -13.325 -8.175 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.218 -12.907 -7.076 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.294 -13.005 -8.561 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.504 -14.821 -5.623 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.587 -18.052 -8.346 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.214 -17.348 -5.879 1.00 0.00 H new ATOM 249 N GLN A 19 6.037 -13.591 -11.177 1.00 0.00 N ATOM 250 CA GLN A 19 6.105 -14.360 -12.409 1.00 0.00 C ATOM 251 C GLN A 19 6.651 -13.492 -13.545 1.00 0.00 C ATOM 252 O GLN A 19 6.613 -12.265 -13.468 1.00 0.00 O ATOM 253 CB GLN A 19 4.737 -14.940 -12.769 1.00 0.00 C ATOM 254 CG GLN A 19 4.560 -16.337 -12.174 1.00 0.00 C ATOM 255 CD GLN A 19 3.900 -17.283 -13.180 1.00 0.00 C ATOM 256 OE1 GLN A 19 2.694 -17.462 -13.204 1.00 0.00 O ATOM 257 NE2 GLN A 19 4.756 -17.876 -14.008 1.00 0.00 N ATOM 0 H GLN A 19 5.555 -12.696 -11.259 1.00 0.00 H new ATOM 0 HA GLN A 19 6.787 -15.196 -12.257 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.951 -14.282 -12.400 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.632 -14.987 -13.853 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.530 -16.735 -11.878 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.951 -16.277 -11.272 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.755 -17.682 -13.934 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.414 -18.525 -14.717 1.00 0.00 H new ATOM 266 N GLU A 20 7.145 -14.165 -14.574 1.00 0.00 N ATOM 267 CA GLU A 20 7.696 -13.471 -15.726 1.00 0.00 C ATOM 268 C GLU A 20 6.680 -12.469 -16.279 1.00 0.00 C ATOM 269 O GLU A 20 5.663 -12.863 -16.849 1.00 0.00 O ATOM 270 CB GLU A 20 8.133 -14.462 -16.806 1.00 0.00 C ATOM 271 CG GLU A 20 8.561 -13.732 -18.081 1.00 0.00 C ATOM 272 CD GLU A 20 7.870 -14.326 -19.310 1.00 0.00 C ATOM 273 OE1 GLU A 20 6.640 -14.480 -19.317 1.00 0.00 O ATOM 274 OE2 GLU A 20 8.659 -14.628 -20.285 1.00 0.00 O ATOM 0 H GLU A 20 7.175 -15.183 -14.634 1.00 0.00 H new ATOM 0 HA GLU A 20 8.581 -12.921 -15.405 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.960 -15.068 -16.435 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.313 -15.144 -17.031 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.316 -12.673 -17.998 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.642 -13.801 -18.198 1.00 0.00 H new ATOM 282 N GLY A 21 6.990 -11.195 -16.092 1.00 0.00 N ATOM 283 CA GLY A 21 6.118 -10.135 -16.566 1.00 0.00 C ATOM 284 C GLY A 21 4.862 -10.030 -15.698 1.00 0.00 C ATOM 285 O GLY A 21 3.869 -9.430 -16.105 1.00 0.00 O ATOM 0 H GLY A 21 7.834 -10.873 -15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.654 -9.186 -16.554 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.834 -10.328 -17.601 1.00 0.00 H new ATOM 289 N ILE A 22 4.946 -10.624 -14.516 1.00 0.00 N ATOM 290 CA ILE A 22 3.829 -10.607 -13.588 1.00 0.00 C ATOM 291 C ILE A 22 4.262 -9.923 -12.289 1.00 0.00 C ATOM 292 O ILE A 22 5.382 -10.121 -11.823 1.00 0.00 O ATOM 293 CB ILE A 22 3.278 -12.019 -13.384 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.172 -12.328 -14.396 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.809 -12.223 -11.943 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.756 -12.902 -15.688 1.00 0.00 C ATOM 0 H ILE A 22 5.771 -11.120 -14.180 1.00 0.00 H new ATOM 0 HA ILE A 22 3.004 -10.025 -13.997 1.00 0.00 H new ATOM 0 HB ILE A 22 4.086 -12.729 -13.562 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.467 -13.039 -13.964 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.613 -11.419 -14.618 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.422 -13.235 -11.826 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.648 -12.074 -11.263 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.022 -11.505 -11.711 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.949 -13.113 -16.390 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.442 -12.179 -16.130 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.294 -13.824 -15.466 1.00 0.00 H new ATOM 308 N TYR A 23 3.350 -9.132 -11.742 1.00 0.00 N ATOM 309 CA TYR A 23 3.623 -8.419 -10.506 1.00 0.00 C ATOM 310 C TYR A 23 2.433 -8.508 -9.547 1.00 0.00 C ATOM 311 O TYR A 23 1.294 -8.674 -9.980 1.00 0.00 O ATOM 312 CB TYR A 23 3.836 -6.956 -10.902 1.00 0.00 C ATOM 313 CG TYR A 23 5.290 -6.601 -11.217 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.152 -6.253 -10.197 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.741 -6.630 -12.521 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.521 -5.919 -10.493 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.109 -6.298 -12.817 1.00 0.00 C ATOM 318 CZ TYR A 23 7.932 -5.958 -11.789 1.00 0.00 C ATOM 319 OH TYR A 23 9.225 -5.643 -12.069 1.00 0.00 O ATOM 0 H TYR A 23 2.422 -8.969 -12.132 1.00 0.00 H new ATOM 0 HA TYR A 23 4.489 -8.846 -10.000 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.221 -6.733 -11.774 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.484 -6.316 -10.093 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.800 -6.231 -9.176 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.067 -6.902 -13.320 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.206 -5.644 -9.704 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.474 -6.318 -13.833 1.00 0.00 H new ATOM 0 HH TYR A 23 9.780 -5.806 -11.278 1.00 0.00 H new ATOM 329 N ARG A 24 2.740 -8.394 -8.263 1.00 0.00 N ATOM 330 CA ARG A 24 1.710 -8.460 -7.240 1.00 0.00 C ATOM 331 C ARG A 24 1.488 -7.079 -6.621 1.00 0.00 C ATOM 332 O ARG A 24 2.446 -6.379 -6.293 1.00 0.00 O ATOM 333 CB ARG A 24 2.093 -9.449 -6.138 1.00 0.00 C ATOM 334 CG ARG A 24 0.941 -10.411 -5.841 1.00 0.00 C ATOM 335 CD ARG A 24 1.457 -11.837 -5.629 1.00 0.00 C ATOM 336 NE ARG A 24 2.348 -11.882 -4.449 1.00 0.00 N ATOM 337 CZ ARG A 24 1.914 -12.014 -3.178 1.00 0.00 C ATOM 338 NH1 ARG A 24 0.594 -12.114 -2.911 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.799 -12.042 -2.198 1.00 0.00 N ATOM 0 H ARG A 24 3.686 -8.256 -7.908 1.00 0.00 H new ATOM 0 HA ARG A 24 0.790 -8.801 -7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.974 -10.014 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.360 -8.905 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.405 -10.079 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.229 -10.397 -6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.618 -12.519 -5.488 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.996 -12.173 -6.515 1.00 0.00 H new ATOM 0 HE ARG A 24 3.353 -11.809 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.084 -12.090 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.275 -12.214 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.794 -11.964 -2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.487 -12.141 -1.232 1.00 0.00 H new ATOM 352 N ASP A 25 0.218 -6.726 -6.480 1.00 0.00 N ATOM 353 CA ASP A 25 -0.142 -5.441 -5.906 1.00 0.00 C ATOM 354 C ASP A 25 -0.220 -5.571 -4.383 1.00 0.00 C ATOM 355 O ASP A 25 0.024 -6.645 -3.835 1.00 0.00 O ATOM 356 CB ASP A 25 -1.509 -4.976 -6.411 1.00 0.00 C ATOM 357 CG ASP A 25 -1.763 -3.471 -6.301 1.00 0.00 C ATOM 358 OD1 ASP A 25 -0.938 -2.724 -5.754 1.00 0.00 O ATOM 359 OD2 ASP A 25 -2.875 -3.067 -6.813 1.00 0.00 O ATOM 0 H ASP A 25 -0.574 -7.308 -6.754 1.00 0.00 H new ATOM 0 HA ASP A 25 0.617 -4.716 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.613 -5.271 -7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.284 -5.501 -5.852 1.00 0.00 H new ATOM 365 N GLU A 26 -0.562 -4.463 -3.743 1.00 0.00 N ATOM 366 CA GLU A 26 -0.674 -4.439 -2.295 1.00 0.00 C ATOM 367 C GLU A 26 -2.108 -4.758 -1.868 1.00 0.00 C ATOM 368 O GLU A 26 -2.515 -4.428 -0.755 1.00 0.00 O ATOM 369 CB GLU A 26 -0.221 -3.090 -1.732 1.00 0.00 C ATOM 370 CG GLU A 26 -1.364 -2.073 -1.758 1.00 0.00 C ATOM 371 CD GLU A 26 -0.828 -0.644 -1.663 1.00 0.00 C ATOM 372 OE1 GLU A 26 -1.038 0.159 -2.585 1.00 0.00 O ATOM 373 OE2 GLU A 26 -0.175 -0.377 -0.584 1.00 0.00 O ATOM 0 H GLU A 26 -0.765 -3.575 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.015 -5.205 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.132 -3.219 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.620 -2.713 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.938 -2.189 -2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.046 -2.265 -0.930 1.00 0.00 H new ATOM 381 N TYR A 27 -2.833 -5.394 -2.775 1.00 0.00 N ATOM 382 CA TYR A 27 -4.213 -5.762 -2.506 1.00 0.00 C ATOM 383 C TYR A 27 -4.590 -7.051 -3.238 1.00 0.00 C ATOM 384 O TYR A 27 -5.657 -7.136 -3.845 1.00 0.00 O ATOM 385 CB TYR A 27 -5.068 -4.614 -3.047 1.00 0.00 C ATOM 386 CG TYR A 27 -5.335 -3.504 -2.029 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.896 -3.809 -0.806 1.00 0.00 C ATOM 388 CD2 TYR A 27 -5.015 -2.196 -2.334 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.147 -2.764 0.153 1.00 0.00 C ATOM 390 CE2 TYR A 27 -5.266 -1.151 -1.376 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.820 -1.487 -0.180 1.00 0.00 C ATOM 392 OH TYR A 27 -6.057 -0.499 0.726 1.00 0.00 O ATOM 0 H TYR A 27 -2.491 -5.664 -3.697 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.364 -5.930 -1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.572 -4.184 -3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.022 -5.015 -3.390 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.147 -4.832 -0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.576 -1.957 -3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.585 -2.990 1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.020 -0.124 -1.602 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.773 0.362 0.353 1.00 0.00 H new ATOM 402 N GLN A 28 -3.694 -8.024 -3.157 1.00 0.00 N ATOM 403 CA GLN A 28 -3.919 -9.305 -3.804 1.00 0.00 C ATOM 404 C GLN A 28 -4.371 -9.096 -5.251 1.00 0.00 C ATOM 405 O GLN A 28 -5.321 -9.731 -5.706 1.00 0.00 O ATOM 406 CB GLN A 28 -4.938 -10.141 -3.027 1.00 0.00 C ATOM 407 CG GLN A 28 -6.308 -9.462 -3.014 1.00 0.00 C ATOM 408 CD GLN A 28 -7.396 -10.430 -2.542 1.00 0.00 C ATOM 409 OE1 GLN A 28 -8.075 -11.071 -3.327 1.00 0.00 O ATOM 410 NE2 GLN A 28 -7.521 -10.501 -1.220 1.00 0.00 N ATOM 0 H GLN A 28 -2.810 -7.951 -2.653 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.978 -9.856 -3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.022 -11.130 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.590 -10.286 -2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.280 -8.592 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.548 -9.099 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.920 -9.936 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.218 -11.120 -0.806 1.00 0.00 H new ATOM 419 N ARG A 29 -3.669 -8.204 -5.934 1.00 0.00 N ATOM 420 CA ARG A 29 -3.986 -7.904 -7.320 1.00 0.00 C ATOM 421 C ARG A 29 -2.754 -8.109 -8.203 1.00 0.00 C ATOM 422 O ARG A 29 -1.769 -7.383 -8.081 1.00 0.00 O ATOM 423 CB ARG A 29 -4.480 -6.464 -7.472 1.00 0.00 C ATOM 424 CG ARG A 29 -5.966 -6.354 -7.129 1.00 0.00 C ATOM 425 CD ARG A 29 -6.734 -5.634 -8.241 1.00 0.00 C ATOM 426 NE ARG A 29 -7.533 -4.528 -7.669 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.692 -4.699 -6.998 1.00 0.00 C ATOM 428 NH1 ARG A 29 -9.198 -5.937 -6.809 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.323 -3.639 -6.530 1.00 0.00 N ATOM 0 H ARG A 29 -2.882 -7.679 -5.553 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.779 -8.583 -7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.903 -5.808 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.313 -6.125 -8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.383 -7.350 -6.980 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.087 -5.814 -6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.037 -5.244 -8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.388 -6.337 -8.757 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.186 -3.576 -7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.704 -6.751 -7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.074 -6.058 -6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.934 -2.708 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.200 -3.751 -6.021 1.00 0.00 H new ATOM 442 N THR A 30 -2.849 -9.104 -9.074 1.00 0.00 N ATOM 443 CA THR A 30 -1.754 -9.415 -9.978 1.00 0.00 C ATOM 444 C THR A 30 -1.669 -8.368 -11.090 1.00 0.00 C ATOM 445 O THR A 30 -2.678 -7.774 -11.468 1.00 0.00 O ATOM 446 CB THR A 30 -1.960 -10.839 -10.496 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.342 -10.887 -10.841 1.00 0.00 O ATOM 448 CG2 THR A 30 -1.814 -11.891 -9.396 1.00 0.00 C ATOM 0 H THR A 30 -3.667 -9.705 -9.173 1.00 0.00 H new ATOM 0 HA THR A 30 -0.793 -9.377 -9.466 1.00 0.00 H new ATOM 0 HB THR A 30 -1.241 -11.043 -11.289 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.480 -10.442 -11.703 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.970 -12.884 -9.819 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.814 -11.832 -8.967 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.554 -11.708 -8.617 1.00 0.00 H new ATOM 456 N TRP A 31 -0.455 -8.175 -11.585 1.00 0.00 N ATOM 457 CA TRP A 31 -0.224 -7.211 -12.647 1.00 0.00 C ATOM 458 C TRP A 31 0.623 -7.889 -13.725 1.00 0.00 C ATOM 459 O TRP A 31 1.487 -8.710 -13.418 1.00 0.00 O ATOM 460 CB TRP A 31 0.417 -5.934 -12.100 1.00 0.00 C ATOM 461 CG TRP A 31 -0.550 -5.037 -11.323 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.017 -5.210 -10.079 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.151 -3.812 -11.791 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.873 -4.191 -9.713 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.956 -3.314 -10.788 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.019 -3.147 -13.023 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.692 -2.129 -10.912 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.761 -1.964 -13.132 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.576 -1.450 -12.130 1.00 0.00 C ATOM 0 H TRP A 31 0.379 -8.670 -11.270 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.168 -6.895 -13.092 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.247 -6.207 -11.448 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.837 -5.366 -12.930 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.756 -6.043 -9.442 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.355 -4.099 -8.819 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.395 -3.519 -13.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.315 -1.759 -10.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.695 -1.413 -14.059 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.118 -0.530 -12.291 1.00 0.00 H new ATOM 480 N VAL A 32 0.347 -7.523 -14.969 1.00 0.00 N ATOM 481 CA VAL A 32 1.072 -8.085 -16.094 1.00 0.00 C ATOM 482 C VAL A 32 1.984 -7.013 -16.695 1.00 0.00 C ATOM 483 O VAL A 32 1.556 -6.236 -17.547 1.00 0.00 O ATOM 484 CB VAL A 32 0.090 -8.672 -17.109 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.670 -8.624 -18.524 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.305 -10.100 -16.727 1.00 0.00 C ATOM 0 H VAL A 32 -0.370 -6.843 -15.221 1.00 0.00 H new ATOM 0 HA VAL A 32 1.709 -8.906 -15.766 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.812 -8.060 -17.095 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.048 -9.047 -19.226 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.878 -7.589 -18.797 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.594 -9.201 -18.558 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.004 -10.494 -17.465 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.585 -10.728 -16.698 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.778 -10.096 -15.745 1.00 0.00 H new ATOM 496 N ALA A 33 3.224 -7.006 -16.228 1.00 0.00 N ATOM 497 CA ALA A 33 4.199 -6.042 -16.708 1.00 0.00 C ATOM 498 C ALA A 33 4.791 -6.538 -18.029 1.00 0.00 C ATOM 499 O ALA A 33 5.769 -7.285 -18.034 1.00 0.00 O ATOM 500 CB ALA A 33 5.268 -5.820 -15.636 1.00 0.00 C ATOM 0 H ALA A 33 3.576 -7.653 -15.522 1.00 0.00 H new ATOM 0 HA ALA A 33 3.726 -5.079 -16.900 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.000 -5.097 -15.996 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.799 -5.441 -14.728 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.768 -6.764 -15.419 1.00 0.00 H new ATOM 506 N VAL A 34 4.174 -6.102 -19.118 1.00 0.00 N ATOM 507 CA VAL A 34 4.627 -6.492 -20.442 1.00 0.00 C ATOM 508 C VAL A 34 5.794 -5.597 -20.862 1.00 0.00 C ATOM 509 O VAL A 34 5.586 -4.526 -21.431 1.00 0.00 O ATOM 510 CB VAL A 34 3.458 -6.453 -21.428 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.943 -6.666 -22.863 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.389 -7.481 -21.052 1.00 0.00 C ATOM 0 H VAL A 34 3.364 -5.482 -19.110 1.00 0.00 H new ATOM 0 HA VAL A 34 4.993 -7.519 -20.433 1.00 0.00 H new ATOM 0 HB VAL A 34 3.005 -5.463 -21.371 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.092 -6.634 -23.543 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.650 -5.880 -23.129 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.433 -7.636 -22.941 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.569 -7.432 -21.769 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.824 -8.480 -21.066 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.011 -7.264 -20.053 1.00 0.00 H new ATOM 522 N VAL A 35 6.997 -6.068 -20.565 1.00 0.00 N ATOM 523 CA VAL A 35 8.197 -5.324 -20.905 1.00 0.00 C ATOM 524 C VAL A 35 8.178 -4.987 -22.398 1.00 0.00 C ATOM 525 O VAL A 35 8.334 -5.872 -23.238 1.00 0.00 O ATOM 526 CB VAL A 35 9.439 -6.112 -20.485 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.511 -7.452 -21.220 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.710 -5.293 -20.711 1.00 0.00 C ATOM 0 H VAL A 35 7.166 -6.956 -20.092 1.00 0.00 H new ATOM 0 HA VAL A 35 8.228 -4.381 -20.360 1.00 0.00 H new ATOM 0 HB VAL A 35 9.360 -6.319 -19.418 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.403 -7.993 -20.904 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.626 -8.043 -20.986 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.556 -7.276 -22.295 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.578 -5.876 -20.404 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.797 -5.041 -21.768 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.662 -4.377 -20.122 1.00 0.00 H new ATOM 538 N GLU A 36 7.986 -3.707 -22.682 1.00 0.00 N ATOM 539 CA GLU A 36 7.943 -3.245 -24.059 1.00 0.00 C ATOM 540 C GLU A 36 9.076 -2.250 -24.319 1.00 0.00 C ATOM 541 O GLU A 36 8.892 -1.042 -24.172 1.00 0.00 O ATOM 542 CB GLU A 36 6.584 -2.626 -24.388 1.00 0.00 C ATOM 543 CG GLU A 36 6.158 -2.966 -25.817 1.00 0.00 C ATOM 544 CD GLU A 36 6.623 -1.888 -26.799 1.00 0.00 C ATOM 545 OE1 GLU A 36 7.826 -1.781 -27.077 1.00 0.00 O ATOM 546 OE2 GLU A 36 5.683 -1.147 -27.279 1.00 0.00 O ATOM 0 H GLU A 36 7.859 -2.976 -21.982 1.00 0.00 H new ATOM 0 HA GLU A 36 8.081 -4.104 -24.715 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.835 -2.990 -23.685 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.635 -1.544 -24.268 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.576 -3.930 -26.105 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.073 -3.062 -25.864 1.00 0.00 H new ATOM 611 N PHE A 41 14.363 3.501 -25.364 1.00 0.00 N ATOM 612 CA PHE A 41 14.178 3.566 -23.923 1.00 0.00 C ATOM 613 C PHE A 41 13.623 2.247 -23.382 1.00 0.00 C ATOM 614 O PHE A 41 13.544 1.257 -24.108 1.00 0.00 O ATOM 615 CB PHE A 41 13.168 4.681 -23.652 1.00 0.00 C ATOM 616 CG PHE A 41 13.781 6.082 -23.620 1.00 0.00 C ATOM 617 CD1 PHE A 41 14.513 6.480 -22.545 1.00 0.00 C ATOM 618 CD2 PHE A 41 13.594 6.931 -24.665 1.00 0.00 C ATOM 619 CE1 PHE A 41 15.083 7.781 -22.515 1.00 0.00 C ATOM 620 CE2 PHE A 41 14.163 8.232 -24.636 1.00 0.00 C ATOM 621 CZ PHE A 41 14.895 8.629 -23.561 1.00 0.00 C ATOM 0 HA PHE A 41 15.133 3.755 -23.433 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.395 4.651 -24.420 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.677 4.489 -22.698 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.661 5.807 -21.714 1.00 0.00 H new ATOM 0 HD2 PHE A 41 13.012 6.616 -25.518 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.665 8.096 -21.662 1.00 0.00 H new ATOM 0 HE2 PHE A 41 14.014 8.905 -25.467 1.00 0.00 H new ATOM 0 HZ PHE A 41 15.327 9.618 -23.538 1.00 0.00 H new ATOM 631 N LEU A 42 13.252 2.276 -22.110 1.00 0.00 N ATOM 632 CA LEU A 42 12.707 1.095 -21.463 1.00 0.00 C ATOM 633 C LEU A 42 11.278 1.389 -20.997 1.00 0.00 C ATOM 634 O LEU A 42 10.986 2.491 -20.536 1.00 0.00 O ATOM 635 CB LEU A 42 13.633 0.621 -20.342 1.00 0.00 C ATOM 636 CG LEU A 42 14.880 -0.147 -20.783 1.00 0.00 C ATOM 637 CD1 LEU A 42 15.514 0.498 -22.018 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.878 -0.283 -19.631 1.00 0.00 C ATOM 0 H LEU A 42 13.318 3.099 -21.511 1.00 0.00 H new ATOM 0 HA LEU A 42 12.650 0.266 -22.169 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.951 1.491 -19.768 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.059 -0.014 -19.667 1.00 0.00 H new ATOM 0 HG LEU A 42 14.577 -1.155 -21.066 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.399 -0.068 -22.310 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.796 0.498 -22.838 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.800 1.524 -21.786 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.755 -0.833 -19.972 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.180 0.708 -19.293 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.411 -0.821 -18.806 1.00 0.00 H new ATOM 650 N ARG A 43 10.427 0.383 -21.134 1.00 0.00 N ATOM 651 CA ARG A 43 9.037 0.520 -20.733 1.00 0.00 C ATOM 652 C ARG A 43 8.467 -0.839 -20.320 1.00 0.00 C ATOM 653 O ARG A 43 8.860 -1.872 -20.861 1.00 0.00 O ATOM 654 CB ARG A 43 8.190 1.094 -21.871 1.00 0.00 C ATOM 655 CG ARG A 43 6.700 0.863 -21.615 1.00 0.00 C ATOM 656 CD ARG A 43 5.855 1.955 -22.275 1.00 0.00 C ATOM 657 NE ARG A 43 5.709 1.677 -23.722 1.00 0.00 N ATOM 658 CZ ARG A 43 5.478 2.625 -24.655 1.00 0.00 C ATOM 659 NH1 ARG A 43 5.361 3.922 -24.300 1.00 0.00 N ATOM 660 NH2 ARG A 43 5.365 2.264 -25.920 1.00 0.00 N ATOM 0 H ARG A 43 10.673 -0.530 -21.517 1.00 0.00 H new ATOM 0 HA ARG A 43 9.002 1.206 -19.886 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.384 2.162 -21.971 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.477 0.628 -22.814 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.408 -0.113 -22.003 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.509 0.849 -20.542 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.873 2.001 -21.804 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.324 2.928 -22.129 1.00 0.00 H new ATOM 0 HE ARG A 43 5.788 0.709 -24.033 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.447 4.192 -23.320 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.186 4.632 -25.011 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.452 1.281 -26.180 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.190 2.968 -26.638 1.00 0.00 H new ATOM 673 N ALA A 44 7.552 -0.795 -19.363 1.00 0.00 N ATOM 674 CA ALA A 44 6.925 -2.010 -18.872 1.00 0.00 C ATOM 675 C ALA A 44 5.434 -1.750 -18.639 1.00 0.00 C ATOM 676 O ALA A 44 5.057 -1.123 -17.650 1.00 0.00 O ATOM 677 CB ALA A 44 7.641 -2.477 -17.602 1.00 0.00 C ATOM 0 H ALA A 44 7.230 0.063 -18.915 1.00 0.00 H new ATOM 0 HA ALA A 44 7.010 -2.810 -19.607 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.171 -3.389 -17.233 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.689 -2.675 -17.827 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.574 -1.700 -16.840 1.00 0.00 H new ATOM 683 N ARG A 45 4.628 -2.246 -19.566 1.00 0.00 N ATOM 684 CA ARG A 45 3.189 -2.076 -19.474 1.00 0.00 C ATOM 685 C ARG A 45 2.613 -2.996 -18.395 1.00 0.00 C ATOM 686 O ARG A 45 2.536 -4.209 -18.586 1.00 0.00 O ATOM 687 CB ARG A 45 2.511 -2.383 -20.811 1.00 0.00 C ATOM 688 CG ARG A 45 1.016 -2.065 -20.754 1.00 0.00 C ATOM 689 CD ARG A 45 0.185 -3.245 -21.262 1.00 0.00 C ATOM 690 NE ARG A 45 0.814 -3.825 -22.469 1.00 0.00 N ATOM 691 CZ ARG A 45 0.262 -4.808 -23.213 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.937 -5.329 -22.877 1.00 0.00 N ATOM 693 NH2 ARG A 45 0.913 -5.251 -24.272 1.00 0.00 N ATOM 0 H ARG A 45 4.945 -2.766 -20.385 1.00 0.00 H new ATOM 0 HA ARG A 45 2.995 -1.036 -19.211 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.980 -1.800 -21.603 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.653 -3.434 -21.062 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.730 -1.828 -19.729 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.805 -1.181 -21.356 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.103 -4.004 -20.484 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.828 -2.915 -21.493 1.00 0.00 H new ATOM 0 HE ARG A 45 1.722 -3.460 -22.757 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.433 -4.981 -22.056 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.347 -6.071 -23.444 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.819 -4.852 -24.518 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.510 -5.993 -24.845 1.00 0.00 H new ATOM 706 N VAL A 46 2.224 -2.385 -17.286 1.00 0.00 N ATOM 707 CA VAL A 46 1.658 -3.133 -16.178 1.00 0.00 C ATOM 708 C VAL A 46 0.133 -3.159 -16.311 1.00 0.00 C ATOM 709 O VAL A 46 -0.527 -2.138 -16.122 1.00 0.00 O ATOM 710 CB VAL A 46 2.132 -2.541 -14.849 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.238 -3.623 -13.773 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.463 -1.806 -15.021 1.00 0.00 C ATOM 0 H VAL A 46 2.290 -1.379 -17.131 1.00 0.00 H new ATOM 0 HA VAL A 46 2.004 -4.166 -16.200 1.00 0.00 H new ATOM 0 HB VAL A 46 1.388 -1.815 -14.521 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.577 -3.175 -12.839 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.261 -4.083 -13.622 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.952 -4.383 -14.091 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.778 -1.395 -14.062 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.219 -2.503 -15.383 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.341 -0.996 -15.741 1.00 0.00 H new ATOM 722 N GLN A 47 -0.381 -4.335 -16.634 1.00 0.00 N ATOM 723 CA GLN A 47 -1.815 -4.508 -16.795 1.00 0.00 C ATOM 724 C GLN A 47 -2.371 -5.396 -15.680 1.00 0.00 C ATOM 725 O GLN A 47 -1.839 -6.473 -15.416 1.00 0.00 O ATOM 726 CB GLN A 47 -2.147 -5.084 -18.173 1.00 0.00 C ATOM 727 CG GLN A 47 -3.527 -5.746 -18.171 1.00 0.00 C ATOM 728 CD GLN A 47 -4.221 -5.569 -19.524 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.654 -6.517 -20.157 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.301 -4.305 -19.930 1.00 0.00 N ATOM 0 H GLN A 47 0.170 -5.179 -16.789 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.290 -3.529 -16.724 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.121 -4.290 -18.919 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.390 -5.814 -18.458 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.425 -6.808 -17.947 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.142 -5.311 -17.383 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.918 -3.558 -19.351 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.746 -4.083 -20.821 1.00 0.00 H new ATOM 739 N GLN A 48 -3.434 -4.910 -15.056 1.00 0.00 N ATOM 740 CA GLN A 48 -4.068 -5.647 -13.976 1.00 0.00 C ATOM 741 C GLN A 48 -5.109 -6.619 -14.536 1.00 0.00 C ATOM 742 O GLN A 48 -6.050 -6.205 -15.211 1.00 0.00 O ATOM 743 CB GLN A 48 -4.700 -4.694 -12.959 1.00 0.00 C ATOM 744 CG GLN A 48 -5.032 -5.424 -11.656 1.00 0.00 C ATOM 745 CD GLN A 48 -6.540 -5.628 -11.510 1.00 0.00 C ATOM 746 OE1 GLN A 48 -7.233 -4.878 -10.842 1.00 0.00 O ATOM 747 NE2 GLN A 48 -7.011 -6.683 -12.171 1.00 0.00 N ATOM 0 H GLN A 48 -3.872 -4.016 -15.277 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.302 -6.224 -13.458 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.017 -3.870 -12.754 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.608 -4.259 -13.378 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.527 -6.390 -11.638 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.655 -4.852 -10.808 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.377 -7.271 -12.712 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.006 -6.904 -12.137 1.00 0.00 H new ATOM 756 N ILE A 49 -4.904 -7.894 -14.236 1.00 0.00 N ATOM 757 CA ILE A 49 -5.813 -8.927 -14.701 1.00 0.00 C ATOM 758 C ILE A 49 -5.892 -10.039 -13.653 1.00 0.00 C ATOM 759 O ILE A 49 -5.037 -10.130 -12.773 1.00 0.00 O ATOM 760 CB ILE A 49 -5.398 -9.419 -16.090 1.00 0.00 C ATOM 761 CG1 ILE A 49 -3.941 -9.887 -16.094 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.659 -8.350 -17.151 1.00 0.00 C ATOM 763 CD1 ILE A 49 -2.988 -8.710 -16.307 1.00 0.00 C ATOM 0 H ILE A 49 -4.122 -8.234 -13.677 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.820 -8.526 -14.817 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.014 -10.282 -16.344 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.711 -10.379 -15.149 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.795 -10.625 -16.882 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.355 -8.725 -18.128 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.722 -8.108 -17.170 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.087 -7.454 -16.913 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.959 -9.070 -16.306 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.205 -8.235 -17.264 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.120 -7.985 -15.504 1.00 0.00 H new ATOM 775 N GLN A 50 -6.927 -10.856 -13.782 1.00 0.00 N ATOM 776 CA GLN A 50 -7.129 -11.959 -12.857 1.00 0.00 C ATOM 777 C GLN A 50 -6.344 -13.189 -13.316 1.00 0.00 C ATOM 778 O GLN A 50 -6.771 -13.899 -14.225 1.00 0.00 O ATOM 779 CB GLN A 50 -8.617 -12.283 -12.708 1.00 0.00 C ATOM 780 CG GLN A 50 -9.316 -11.254 -11.816 1.00 0.00 C ATOM 781 CD GLN A 50 -10.006 -10.178 -12.657 1.00 0.00 C ATOM 782 OE1 GLN A 50 -11.078 -10.374 -13.205 1.00 0.00 O ATOM 783 NE2 GLN A 50 -9.331 -9.034 -12.728 1.00 0.00 N ATOM 0 H GLN A 50 -7.634 -10.777 -14.512 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.755 -11.659 -11.878 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.089 -12.299 -13.690 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.735 -13.279 -12.281 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.051 -11.754 -11.185 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.588 -10.790 -11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.438 -8.938 -12.244 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.706 -8.253 -13.266 1.00 0.00 H new ATOM 792 N VAL A 51 -5.208 -13.402 -12.667 1.00 0.00 N ATOM 793 CA VAL A 51 -4.358 -14.534 -12.998 1.00 0.00 C ATOM 794 C VAL A 51 -3.733 -15.088 -11.717 1.00 0.00 C ATOM 795 O VAL A 51 -3.343 -14.327 -10.832 1.00 0.00 O ATOM 796 CB VAL A 51 -3.318 -14.119 -14.041 1.00 0.00 C ATOM 797 CG1 VAL A 51 -2.301 -13.145 -13.444 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.622 -15.344 -14.637 1.00 0.00 C ATOM 0 H VAL A 51 -4.857 -12.810 -11.914 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.945 -15.336 -13.446 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.839 -13.604 -14.848 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.573 -12.866 -14.206 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.817 -12.252 -13.090 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.787 -13.622 -12.609 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.888 -15.022 -15.375 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.120 -15.899 -13.844 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.362 -15.985 -15.117 1.00 0.00 H new ATOM 998 N SER A 65 15.496 -8.997 -17.490 1.00 0.00 N ATOM 999 CA SER A 65 16.476 -8.308 -16.669 1.00 0.00 C ATOM 1000 C SER A 65 16.342 -6.795 -16.852 1.00 0.00 C ATOM 1001 O SER A 65 17.341 -6.082 -16.917 1.00 0.00 O ATOM 1002 CB SER A 65 17.897 -8.759 -17.010 1.00 0.00 C ATOM 1003 OG SER A 65 18.317 -8.282 -18.285 1.00 0.00 O ATOM 0 HA SER A 65 16.284 -8.560 -15.626 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.585 -8.400 -16.244 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.945 -9.848 -16.997 1.00 0.00 H new ATOM 0 HG SER A 65 19.230 -8.590 -18.465 1.00 0.00 H new ATOM 1009 N GLN A 66 15.096 -6.349 -16.931 1.00 0.00 N ATOM 1010 CA GLN A 66 14.817 -4.933 -17.106 1.00 0.00 C ATOM 1011 C GLN A 66 13.981 -4.408 -15.936 1.00 0.00 C ATOM 1012 O GLN A 66 14.371 -3.448 -15.272 1.00 0.00 O ATOM 1013 CB GLN A 66 14.117 -4.673 -18.440 1.00 0.00 C ATOM 1014 CG GLN A 66 15.020 -5.048 -19.616 1.00 0.00 C ATOM 1015 CD GLN A 66 15.968 -3.900 -19.967 1.00 0.00 C ATOM 1016 OE1 GLN A 66 16.709 -3.397 -19.138 1.00 0.00 O ATOM 1017 NE2 GLN A 66 15.904 -3.512 -21.237 1.00 0.00 N ATOM 0 H GLN A 66 14.269 -6.943 -16.877 1.00 0.00 H new ATOM 0 HA GLN A 66 15.765 -4.395 -17.120 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.193 -5.249 -18.488 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.840 -3.621 -18.510 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.598 -5.938 -19.366 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.409 -5.298 -20.483 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.262 -3.975 -21.880 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.497 -2.751 -21.568 1.00 0.00 H new ATOM 1026 N LEU A 67 12.849 -5.061 -15.720 1.00 0.00 N ATOM 1027 CA LEU A 67 11.956 -4.672 -14.642 1.00 0.00 C ATOM 1028 C LEU A 67 12.584 -5.057 -13.301 1.00 0.00 C ATOM 1029 O LEU A 67 13.265 -6.075 -13.199 1.00 0.00 O ATOM 1030 CB LEU A 67 10.563 -5.265 -14.860 1.00 0.00 C ATOM 1031 CG LEU A 67 9.816 -4.783 -16.106 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.644 -5.025 -17.369 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.430 -5.426 -16.196 1.00 0.00 C ATOM 0 H LEU A 67 12.530 -5.857 -16.273 1.00 0.00 H new ATOM 0 HA LEU A 67 11.820 -3.591 -14.632 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.656 -6.350 -14.913 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.953 -5.040 -13.985 1.00 0.00 H new ATOM 0 HG LEU A 67 9.667 -3.707 -16.021 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.090 -4.674 -18.240 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.587 -4.483 -17.295 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.846 -6.091 -17.473 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.920 -5.067 -17.090 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.534 -6.510 -16.248 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.847 -5.160 -15.314 1.00 0.00 H new ATOM 1045 N PRO A 68 12.327 -4.197 -12.278 1.00 0.00 N ATOM 1046 CA PRO A 68 12.860 -4.436 -10.947 1.00 0.00 C ATOM 1047 C PRO A 68 12.095 -5.558 -10.244 1.00 0.00 C ATOM 1048 O PRO A 68 11.076 -6.030 -10.746 1.00 0.00 O ATOM 1049 CB PRO A 68 12.746 -3.099 -10.232 1.00 0.00 C ATOM 1050 CG PRO A 68 11.734 -2.288 -11.024 1.00 0.00 C ATOM 1051 CD PRO A 68 11.525 -2.981 -12.361 1.00 0.00 C ATOM 0 HA PRO A 68 13.895 -4.777 -10.963 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.418 -3.234 -9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.710 -2.592 -10.196 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.792 -2.216 -10.480 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.094 -1.270 -11.174 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.473 -3.211 -12.527 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.848 -2.350 -13.189 1.00 0.00 H new ATOM 1059 N LEU A 69 12.614 -5.953 -9.091 1.00 0.00 N ATOM 1060 CA LEU A 69 11.992 -7.010 -8.312 1.00 0.00 C ATOM 1061 C LEU A 69 10.811 -6.434 -7.528 1.00 0.00 C ATOM 1062 O LEU A 69 10.023 -7.180 -6.950 1.00 0.00 O ATOM 1063 CB LEU A 69 13.031 -7.710 -7.433 1.00 0.00 C ATOM 1064 CG LEU A 69 12.884 -9.228 -7.300 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.593 -9.591 -6.565 1.00 0.00 C ATOM 1066 CD2 LEU A 69 12.978 -9.909 -8.667 1.00 0.00 C ATOM 0 H LEU A 69 13.459 -5.560 -8.677 1.00 0.00 H new ATOM 0 HA LEU A 69 11.592 -7.782 -8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.021 -7.495 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.989 -7.272 -6.436 1.00 0.00 H new ATOM 0 HG LEU A 69 13.712 -9.601 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.513 -10.675 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.607 -9.153 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.738 -9.204 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.871 -10.987 -8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.184 -9.536 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.946 -9.690 -9.117 1.00 0.00 H new ATOM 1078 N MET A 70 10.727 -5.112 -7.534 1.00 0.00 N ATOM 1079 CA MET A 70 9.656 -4.427 -6.831 1.00 0.00 C ATOM 1080 C MET A 70 9.635 -2.937 -7.180 1.00 0.00 C ATOM 1081 O MET A 70 10.686 -2.323 -7.354 1.00 0.00 O ATOM 1082 CB MET A 70 9.846 -4.596 -5.322 1.00 0.00 C ATOM 1083 CG MET A 70 8.861 -3.721 -4.545 1.00 0.00 C ATOM 1084 SD MET A 70 9.745 -2.456 -3.648 1.00 0.00 S ATOM 1085 CE MET A 70 10.469 -3.443 -2.350 1.00 0.00 C ATOM 0 H MET A 70 11.383 -4.497 -8.015 1.00 0.00 H new ATOM 0 HA MET A 70 8.707 -4.866 -7.138 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.703 -5.641 -5.049 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.867 -4.331 -5.048 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.150 -3.262 -5.232 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.285 -4.334 -3.852 1.00 0.00 H new ATOM 0 HE1 MET A 70 10.878 -2.788 -1.580 1.00 0.00 H new ATOM 0 HE2 MET A 70 9.705 -4.085 -1.912 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.267 -4.059 -2.764 1.00 0.00 H new ATOM 1095 N TRP A 71 8.428 -2.400 -7.270 1.00 0.00 N ATOM 1096 CA TRP A 71 8.257 -0.994 -7.593 1.00 0.00 C ATOM 1097 C TRP A 71 7.757 -0.278 -6.337 1.00 0.00 C ATOM 1098 O TRP A 71 7.153 -0.898 -5.462 1.00 0.00 O ATOM 1099 CB TRP A 71 7.325 -0.816 -8.792 1.00 0.00 C ATOM 1100 CG TRP A 71 8.041 -0.833 -10.145 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.146 -0.165 -10.501 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.654 -1.586 -11.313 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.499 -0.431 -11.809 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.563 -1.323 -12.318 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.572 -2.462 -11.515 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.482 -1.895 -13.594 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.506 -3.024 -12.794 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.412 -2.769 -13.817 1.00 0.00 C ATOM 0 H TRP A 71 7.559 -2.913 -7.125 1.00 0.00 H new ATOM 0 HA TRP A 71 9.206 -0.550 -7.893 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.577 -1.609 -8.778 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.791 0.128 -8.687 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.692 0.498 -9.847 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.299 -0.044 -12.309 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.849 -2.683 -10.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.206 -1.674 -14.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.693 -3.704 -13.002 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.291 -3.243 -14.780 1.00 0.00 H new ATOM 1119 N GLN A 72 8.027 1.019 -6.285 1.00 0.00 N ATOM 1120 CA GLN A 72 7.612 1.825 -5.151 1.00 0.00 C ATOM 1121 C GLN A 72 7.043 3.162 -5.630 1.00 0.00 C ATOM 1122 O GLN A 72 7.789 4.040 -6.062 1.00 0.00 O ATOM 1123 CB GLN A 72 8.772 2.041 -4.177 1.00 0.00 C ATOM 1124 CG GLN A 72 8.258 2.396 -2.781 1.00 0.00 C ATOM 1125 CD GLN A 72 8.058 1.139 -1.934 1.00 0.00 C ATOM 1126 OE1 GLN A 72 6.928 0.487 -2.189 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 8.877 0.783 -1.102 1.00 0.00 N flip ATOM 0 H GLN A 72 8.528 1.531 -7.011 1.00 0.00 H new ATOM 0 HA GLN A 72 6.828 1.288 -4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.381 1.138 -4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.416 2.839 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.966 3.062 -2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.315 2.937 -2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.726 1.330 -0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.713 -0.061 -0.554 1.00 0.00 H new ATOM 1136 N LEU A 73 5.726 3.276 -5.538 1.00 0.00 N ATOM 1137 CA LEU A 73 5.049 4.492 -5.956 1.00 0.00 C ATOM 1138 C LEU A 73 5.648 5.687 -5.213 1.00 0.00 C ATOM 1139 O LEU A 73 5.499 5.805 -3.997 1.00 0.00 O ATOM 1140 CB LEU A 73 3.536 4.351 -5.775 1.00 0.00 C ATOM 1141 CG LEU A 73 2.713 5.623 -5.993 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.308 6.475 -7.116 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.242 5.287 -6.247 1.00 0.00 C ATOM 0 H LEU A 73 5.110 2.546 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 73 5.206 4.668 -7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.177 3.587 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.343 3.986 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 73 2.755 6.218 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.704 7.373 -7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.328 6.759 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.316 5.901 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.679 6.208 -6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.160 4.661 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.837 4.752 -5.388 1.00 0.00 H new ATOM 1155 N TYR A 74 6.314 6.543 -5.973 1.00 0.00 N ATOM 1156 CA TYR A 74 6.936 7.725 -5.402 1.00 0.00 C ATOM 1157 C TYR A 74 6.090 8.972 -5.664 1.00 0.00 C ATOM 1158 O TYR A 74 5.005 8.881 -6.237 1.00 0.00 O ATOM 1159 CB TYR A 74 8.282 7.878 -6.114 1.00 0.00 C ATOM 1160 CG TYR A 74 9.492 7.797 -5.181 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.497 6.898 -4.133 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.580 8.620 -5.387 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.634 6.821 -3.255 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.718 8.543 -4.509 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.690 7.647 -3.487 1.00 0.00 C ATOM 1166 OH TYR A 74 12.765 7.575 -2.658 1.00 0.00 O ATOM 0 H TYR A 74 6.437 6.441 -6.980 1.00 0.00 H new ATOM 0 HA TYR A 74 7.043 7.619 -4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.370 7.102 -6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.300 8.836 -6.633 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.647 6.252 -3.972 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.578 9.322 -6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.649 6.124 -2.431 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.575 9.183 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 74 13.539 7.237 -3.155 1.00 0.00 H new ATOM 1176 N PRO A 75 6.631 10.138 -5.220 1.00 0.00 N ATOM 1177 CA PRO A 75 5.936 11.402 -5.400 1.00 0.00 C ATOM 1178 C PRO A 75 6.024 11.874 -6.852 1.00 0.00 C ATOM 1179 O PRO A 75 6.555 11.166 -7.708 1.00 0.00 O ATOM 1180 CB PRO A 75 6.601 12.358 -4.423 1.00 0.00 C ATOM 1181 CG PRO A 75 7.939 11.729 -4.069 1.00 0.00 C ATOM 1182 CD PRO A 75 7.913 10.283 -4.537 1.00 0.00 C ATOM 0 HA PRO A 75 4.867 11.327 -5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.739 13.342 -4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.987 12.497 -3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.754 12.271 -4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.112 11.779 -2.994 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.745 10.069 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.994 9.593 -3.697 1.00 0.00 H new ATOM 1190 N GLU A 76 5.496 13.066 -7.088 1.00 0.00 N ATOM 1191 CA GLU A 76 5.508 13.640 -8.421 1.00 0.00 C ATOM 1192 C GLU A 76 4.588 12.845 -9.350 1.00 0.00 C ATOM 1193 O GLU A 76 3.474 13.278 -9.645 1.00 0.00 O ATOM 1194 CB GLU A 76 6.931 13.699 -8.980 1.00 0.00 C ATOM 1195 CG GLU A 76 7.646 14.974 -8.526 1.00 0.00 C ATOM 1196 CD GLU A 76 7.282 16.157 -9.426 1.00 0.00 C ATOM 1197 OE1 GLU A 76 7.942 16.382 -10.450 1.00 0.00 O ATOM 1198 OE2 GLU A 76 6.273 16.854 -9.027 1.00 0.00 O ATOM 0 H GLU A 76 5.057 13.650 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 76 5.134 14.662 -8.358 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.492 12.825 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.900 13.663 -10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.374 15.200 -7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.724 14.817 -8.545 1.00 0.00 H new ATOM 1206 N GLU A 77 5.086 11.698 -9.786 1.00 0.00 N ATOM 1207 CA GLU A 77 4.322 10.840 -10.675 1.00 0.00 C ATOM 1208 C GLU A 77 5.243 9.821 -11.350 1.00 0.00 C ATOM 1209 O GLU A 77 5.351 9.794 -12.576 1.00 0.00 O ATOM 1210 CB GLU A 77 3.560 11.665 -11.713 1.00 0.00 C ATOM 1211 CG GLU A 77 3.067 10.781 -12.861 1.00 0.00 C ATOM 1212 CD GLU A 77 1.612 11.099 -13.211 1.00 0.00 C ATOM 1213 OE1 GLU A 77 1.290 12.251 -13.535 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.803 10.097 -13.139 1.00 0.00 O ATOM 0 H GLU A 77 6.010 11.342 -9.540 1.00 0.00 H new ATOM 0 HA GLU A 77 3.586 10.297 -10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.712 12.159 -11.239 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.207 12.450 -12.105 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.697 10.932 -13.738 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.157 9.731 -12.581 1.00 0.00 H new ATOM 1222 N ARG A 78 5.884 9.009 -10.522 1.00 0.00 N ATOM 1223 CA ARG A 78 6.792 7.992 -11.025 1.00 0.00 C ATOM 1224 C ARG A 78 6.950 6.869 -9.999 1.00 0.00 C ATOM 1225 O ARG A 78 6.638 7.049 -8.823 1.00 0.00 O ATOM 1226 CB ARG A 78 8.167 8.587 -11.337 1.00 0.00 C ATOM 1227 CG ARG A 78 8.037 9.858 -12.177 1.00 0.00 C ATOM 1228 CD ARG A 78 9.413 10.410 -12.553 1.00 0.00 C ATOM 1229 NE ARG A 78 9.864 11.383 -11.532 1.00 0.00 N ATOM 1230 CZ ARG A 78 9.454 12.668 -11.479 1.00 0.00 C ATOM 1231 NH1 ARG A 78 8.579 13.147 -12.389 1.00 0.00 N ATOM 1232 NH2 ARG A 78 9.922 13.450 -10.523 1.00 0.00 N ATOM 0 H ARG A 78 5.793 9.035 -9.506 1.00 0.00 H new ATOM 0 HA ARG A 78 6.366 7.591 -11.945 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.689 8.813 -10.407 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.772 7.854 -11.871 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.468 9.644 -13.081 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.479 10.611 -11.620 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.132 9.594 -12.633 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.367 10.891 -13.530 1.00 0.00 H new ATOM 0 HE ARG A 78 10.526 11.062 -10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.222 12.536 -13.124 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.275 14.119 -12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.583 13.080 -9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.623 14.424 -10.468 1.00 0.00 H new ATOM 1245 N TYR A 79 7.434 5.734 -10.481 1.00 0.00 N ATOM 1246 CA TYR A 79 7.636 4.580 -9.621 1.00 0.00 C ATOM 1247 C TYR A 79 9.126 4.344 -9.362 1.00 0.00 C ATOM 1248 O TYR A 79 9.900 4.152 -10.299 1.00 0.00 O ATOM 1249 CB TYR A 79 7.067 3.381 -10.382 1.00 0.00 C ATOM 1250 CG TYR A 79 5.609 3.065 -10.042 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.730 4.089 -9.754 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.174 1.756 -10.026 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.358 3.791 -9.435 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.801 1.458 -9.706 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.961 2.490 -9.427 1.00 0.00 C ATOM 1256 OH TYR A 79 1.665 2.209 -9.126 1.00 0.00 O ATOM 0 H TYR A 79 7.692 5.589 -11.457 1.00 0.00 H new ATOM 0 HA TYR A 79 7.151 4.731 -8.657 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.147 3.571 -11.452 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.678 2.504 -10.168 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.071 5.114 -9.768 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.862 0.955 -10.253 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.660 4.583 -9.207 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.447 0.438 -9.688 1.00 0.00 H new ATOM 0 HH TYR A 79 1.627 1.410 -8.559 1.00 0.00 H new ATOM 1266 N MET A 80 9.483 4.367 -8.087 1.00 0.00 N ATOM 1267 CA MET A 80 10.866 4.157 -7.693 1.00 0.00 C ATOM 1268 C MET A 80 11.106 2.701 -7.287 1.00 0.00 C ATOM 1269 O MET A 80 10.534 2.224 -6.308 1.00 0.00 O ATOM 1270 CB MET A 80 11.209 5.078 -6.520 1.00 0.00 C ATOM 1271 CG MET A 80 12.644 4.847 -6.043 1.00 0.00 C ATOM 1272 SD MET A 80 13.406 6.406 -5.624 1.00 0.00 S ATOM 1273 CE MET A 80 14.923 6.270 -6.555 1.00 0.00 C ATOM 0 H MET A 80 8.839 4.528 -7.313 1.00 0.00 H new ATOM 0 HA MET A 80 11.505 4.387 -8.545 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.085 6.118 -6.821 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.516 4.900 -5.698 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.646 4.187 -5.175 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.220 4.349 -6.823 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.523 7.167 -6.405 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.482 5.398 -6.215 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.691 6.161 -7.614 1.00 0.00 H new ATOM 1283 N ASP A 81 11.952 2.037 -8.061 1.00 0.00 N ATOM 1284 CA ASP A 81 12.273 0.645 -7.794 1.00 0.00 C ATOM 1285 C ASP A 81 13.325 0.572 -6.684 1.00 0.00 C ATOM 1286 O ASP A 81 13.631 1.579 -6.047 1.00 0.00 O ATOM 1287 CB ASP A 81 12.850 -0.034 -9.038 1.00 0.00 C ATOM 1288 CG ASP A 81 14.311 0.305 -9.341 1.00 0.00 C ATOM 1289 OD1 ASP A 81 14.947 1.090 -8.622 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.803 -0.282 -10.379 1.00 0.00 O ATOM 0 H ASP A 81 12.424 2.436 -8.872 1.00 0.00 H new ATOM 0 HA ASP A 81 11.355 0.137 -7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.761 -1.114 -8.919 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.242 0.243 -9.899 1.00 0.00 H new ATOM 1296 N ASN A 82 13.848 -0.629 -6.488 1.00 0.00 N ATOM 1297 CA ASN A 82 14.858 -0.846 -5.465 1.00 0.00 C ATOM 1298 C ASN A 82 16.188 -1.194 -6.136 1.00 0.00 C ATOM 1299 O ASN A 82 17.213 -1.314 -5.466 1.00 0.00 O ATOM 1300 CB ASN A 82 14.472 -2.009 -4.548 1.00 0.00 C ATOM 1301 CG ASN A 82 14.070 -1.502 -3.161 1.00 0.00 C ATOM 1302 OD1 ASN A 82 12.945 -1.096 -2.923 1.00 0.00 O ATOM 1303 ND2 ASN A 82 15.050 -1.549 -2.264 1.00 0.00 N ATOM 0 H ASN A 82 13.592 -1.461 -7.019 1.00 0.00 H new ATOM 0 HA ASN A 82 14.942 0.066 -4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.646 -2.566 -4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.310 -2.700 -4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.883 -1.233 -1.309 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.969 -1.901 -2.531 1.00 0.00 H new ATOM 1310 N ASN A 83 16.130 -1.347 -7.450 1.00 0.00 N ATOM 1311 CA ASN A 83 17.318 -1.680 -8.219 1.00 0.00 C ATOM 1312 C ASN A 83 18.154 -0.415 -8.430 1.00 0.00 C ATOM 1313 O ASN A 83 19.241 -0.474 -9.001 1.00 0.00 O ATOM 1314 CB ASN A 83 16.946 -2.235 -9.595 1.00 0.00 C ATOM 1315 CG ASN A 83 18.047 -3.155 -10.131 1.00 0.00 C ATOM 1316 OD1 ASN A 83 17.611 -4.348 -10.522 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 19.213 -2.803 -10.184 1.00 0.00 N flip ATOM 0 H ASN A 83 15.279 -1.247 -8.003 1.00 0.00 H new ATOM 0 HA ASN A 83 17.878 -2.434 -7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.008 -2.786 -9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.783 -1.412 -10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 83 19.479 -1.871 -9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 83 19.922 -3.441 -10.546 1.00 0.00 H new ATOM 1324 N SER A 84 17.614 0.698 -7.957 1.00 0.00 N ATOM 1325 CA SER A 84 18.296 1.974 -8.086 1.00 0.00 C ATOM 1326 C SER A 84 17.887 2.658 -9.391 1.00 0.00 C ATOM 1327 O SER A 84 18.709 3.299 -10.046 1.00 0.00 O ATOM 1328 CB SER A 84 19.815 1.794 -8.034 1.00 0.00 C ATOM 1329 OG SER A 84 20.468 2.923 -7.461 1.00 0.00 O ATOM 0 H SER A 84 16.712 0.743 -7.484 1.00 0.00 H new ATOM 0 HA SER A 84 18.002 2.604 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.055 0.903 -7.453 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.195 1.629 -9.042 1.00 0.00 H new ATOM 0 HG SER A 84 21.436 2.768 -7.445 1.00 0.00 H new ATOM 1335 N ARG A 85 16.616 2.498 -9.733 1.00 0.00 N ATOM 1336 CA ARG A 85 16.089 3.091 -10.950 1.00 0.00 C ATOM 1337 C ARG A 85 14.725 3.729 -10.680 1.00 0.00 C ATOM 1338 O ARG A 85 14.027 3.339 -9.745 1.00 0.00 O ATOM 1339 CB ARG A 85 15.945 2.043 -12.055 1.00 0.00 C ATOM 1340 CG ARG A 85 17.262 1.299 -12.281 1.00 0.00 C ATOM 1341 CD ARG A 85 17.973 1.811 -13.536 1.00 0.00 C ATOM 1342 NE ARG A 85 18.825 0.744 -14.105 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.340 0.772 -15.353 1.00 0.00 C ATOM 1344 NH1 ARG A 85 19.092 1.816 -16.173 1.00 0.00 N ATOM 1345 NH2 ARG A 85 20.088 -0.237 -15.760 1.00 0.00 N ATOM 0 H ARG A 85 15.937 1.966 -9.188 1.00 0.00 H new ATOM 0 HA ARG A 85 16.793 3.855 -11.280 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.163 1.332 -11.787 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.633 2.526 -12.981 1.00 0.00 H new ATOM 0 HG2 ARG A 85 17.910 1.427 -11.414 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.068 0.231 -12.379 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.239 2.134 -14.274 1.00 0.00 H new ATOM 0 HD3 ARG A 85 18.581 2.681 -13.290 1.00 0.00 H new ATOM 0 HE ARG A 85 19.037 -0.063 -13.518 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.512 2.591 -15.851 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.485 1.830 -17.114 1.00 0.00 H new ATOM 0 HH21 ARG A 85 20.269 -1.022 -15.135 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.485 -0.231 -16.700 1.00 0.00 H new ATOM 1358 N LEU A 86 14.386 4.700 -11.517 1.00 0.00 N ATOM 1359 CA LEU A 86 13.118 5.396 -11.380 1.00 0.00 C ATOM 1360 C LEU A 86 12.346 5.305 -12.699 1.00 0.00 C ATOM 1361 O LEU A 86 12.786 5.837 -13.717 1.00 0.00 O ATOM 1362 CB LEU A 86 13.342 6.830 -10.897 1.00 0.00 C ATOM 1363 CG LEU A 86 12.203 7.451 -10.087 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.413 8.956 -9.911 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.845 7.133 -10.717 1.00 0.00 C ATOM 0 H LEU A 86 14.967 5.020 -12.292 1.00 0.00 H new ATOM 0 HA LEU A 86 12.503 4.920 -10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.246 6.850 -10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.528 7.460 -11.767 1.00 0.00 H new ATOM 0 HG LEU A 86 12.209 7.006 -9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.589 9.373 -9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.352 9.133 -9.387 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.448 9.435 -10.889 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.053 7.586 -10.121 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.811 7.533 -11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.703 6.053 -10.749 1.00 0.00 H new ATOM 1377 N TRP A 87 11.210 4.626 -12.637 1.00 0.00 N ATOM 1378 CA TRP A 87 10.374 4.460 -13.814 1.00 0.00 C ATOM 1379 C TRP A 87 9.323 5.572 -13.809 1.00 0.00 C ATOM 1380 O TRP A 87 8.708 5.844 -12.779 1.00 0.00 O ATOM 1381 CB TRP A 87 9.761 3.058 -13.856 1.00 0.00 C ATOM 1382 CG TRP A 87 10.792 1.927 -13.841 1.00 0.00 C ATOM 1383 CD1 TRP A 87 11.827 1.767 -13.005 1.00 0.00 C ATOM 1384 CD2 TRP A 87 10.846 0.800 -14.740 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.541 0.622 -13.298 1.00 0.00 N ATOM 1386 CE2 TRP A 87 11.925 0.016 -14.386 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.009 0.454 -15.816 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.268 -1.164 -15.058 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.366 -0.728 -16.477 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.450 -1.528 -16.133 1.00 0.00 C ATOM 0 H TRP A 87 10.849 4.185 -11.791 1.00 0.00 H new ATOM 0 HA TRP A 87 10.967 4.547 -14.724 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.094 2.939 -13.002 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.150 2.967 -14.754 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.072 2.448 -12.203 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.368 0.284 -12.806 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.159 1.052 -16.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.118 -1.761 -14.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.757 -1.040 -17.312 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.660 -2.427 -16.694 1.00 0.00 H new ATOM 1401 N GLN A 88 9.148 6.182 -14.971 1.00 0.00 N ATOM 1402 CA GLN A 88 8.182 7.258 -15.114 1.00 0.00 C ATOM 1403 C GLN A 88 6.840 6.706 -15.601 1.00 0.00 C ATOM 1404 O GLN A 88 6.753 6.159 -16.700 1.00 0.00 O ATOM 1405 CB GLN A 88 8.704 8.343 -16.058 1.00 0.00 C ATOM 1406 CG GLN A 88 7.556 9.193 -16.605 1.00 0.00 C ATOM 1407 CD GLN A 88 7.991 10.648 -16.791 1.00 0.00 C ATOM 1408 OE1 GLN A 88 7.937 11.461 -15.883 1.00 0.00 O ATOM 1409 NE2 GLN A 88 8.425 10.929 -18.016 1.00 0.00 N ATOM 0 H GLN A 88 9.659 5.952 -15.823 1.00 0.00 H new ATOM 0 HA GLN A 88 8.031 7.716 -14.136 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.413 8.980 -15.529 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.245 7.882 -16.884 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.219 8.786 -17.558 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.708 9.148 -15.922 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.444 10.201 -18.730 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.739 11.873 -18.242 1.00 0.00 H new ATOM 1418 N ILE A 89 5.830 6.867 -14.760 1.00 0.00 N ATOM 1419 CA ILE A 89 4.497 6.391 -15.091 1.00 0.00 C ATOM 1420 C ILE A 89 4.073 6.974 -16.440 1.00 0.00 C ATOM 1421 O ILE A 89 3.486 8.053 -16.497 1.00 0.00 O ATOM 1422 CB ILE A 89 3.522 6.698 -13.953 1.00 0.00 C ATOM 1423 CG1 ILE A 89 3.976 6.041 -12.648 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.094 6.295 -14.332 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.761 4.526 -12.693 1.00 0.00 C ATOM 0 H ILE A 89 5.907 7.320 -13.850 1.00 0.00 H new ATOM 0 HA ILE A 89 4.494 5.306 -15.198 1.00 0.00 H new ATOM 0 HB ILE A 89 3.520 7.775 -13.786 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.030 6.257 -12.475 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.422 6.466 -11.811 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.420 6.524 -13.506 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.783 6.848 -15.218 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.061 5.226 -14.542 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.092 4.083 -11.753 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.702 4.313 -12.842 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.335 4.101 -13.516 1.00 0.00 H new ATOM 1437 N GLN A 90 4.385 6.233 -17.493 1.00 0.00 N ATOM 1438 CA GLN A 90 4.043 6.662 -18.838 1.00 0.00 C ATOM 1439 C GLN A 90 2.568 7.060 -18.908 1.00 0.00 C ATOM 1440 O GLN A 90 2.229 8.104 -19.466 1.00 0.00 O ATOM 1441 CB GLN A 90 4.365 5.570 -19.861 1.00 0.00 C ATOM 1442 CG GLN A 90 5.259 6.113 -20.978 1.00 0.00 C ATOM 1443 CD GLN A 90 4.534 7.195 -21.783 1.00 0.00 C ATOM 1444 OE1 GLN A 90 4.240 8.274 -21.297 1.00 0.00 O ATOM 1445 NE2 GLN A 90 4.263 6.845 -23.037 1.00 0.00 N ATOM 0 H GLN A 90 4.871 5.338 -17.442 1.00 0.00 H new ATOM 0 HA GLN A 90 4.648 7.535 -19.085 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.862 4.737 -19.365 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.440 5.181 -20.287 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.173 6.524 -20.550 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.555 5.299 -21.640 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.538 5.925 -23.380 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.781 7.497 -23.656 1.00 0.00 H new ATOM 1454 N HIS A 91 1.729 6.208 -18.337 1.00 0.00 N ATOM 1455 CA HIS A 91 0.298 6.459 -18.327 1.00 0.00 C ATOM 1456 C HIS A 91 -0.399 5.417 -17.449 1.00 0.00 C ATOM 1457 O HIS A 91 -0.046 4.239 -17.479 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.256 6.501 -19.752 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.903 5.211 -20.197 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.810 4.406 -19.572 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.633 4.621 -21.420 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -2.079 3.380 -20.369 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.350 3.510 -21.515 1.00 0.00 N flip ATOM 0 H HIS A 91 2.013 5.343 -17.878 1.00 0.00 H new ATOM 0 HA HIS A 91 0.099 7.439 -17.894 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.988 7.306 -19.823 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.554 6.745 -20.439 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.046 5.001 -22.169 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.763 2.574 -20.147 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.356 2.866 -22.306 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.378 5.888 -16.691 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.128 5.011 -15.807 1.00 0.00 C ATOM 1473 C HIS A 92 -3.622 5.324 -15.921 1.00 0.00 C ATOM 1474 O HIS A 92 -4.068 6.396 -15.514 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.608 5.114 -14.372 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.333 4.223 -13.392 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.478 2.867 -13.359 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -3.012 4.715 -12.290 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.204 2.547 -12.295 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.537 3.692 -11.631 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.669 6.865 -16.670 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.986 3.974 -16.110 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.548 4.862 -14.361 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.693 6.148 -14.039 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.099 5.756 -12.014 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.485 1.546 -12.003 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.092 3.750 -10.777 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.352 4.369 -16.477 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.786 4.528 -16.648 1.00 0.00 C ATOM 1490 C LEU A 93 -6.448 3.149 -16.669 1.00 0.00 C ATOM 1491 O LEU A 93 -5.789 2.136 -16.441 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.087 5.373 -17.887 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.159 5.160 -19.086 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.469 3.836 -19.789 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -5.224 6.348 -20.047 1.00 0.00 C ATOM 0 H LEU A 93 -3.978 3.482 -16.815 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.212 5.074 -15.807 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.110 5.167 -18.203 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.047 6.425 -17.604 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.134 5.099 -18.719 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.796 3.708 -20.637 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.331 3.012 -19.089 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.500 3.844 -20.142 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.556 6.171 -20.890 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.244 6.466 -20.412 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.918 7.255 -19.525 1.00 0.00 H new ATOM 1507 N MET A 94 -7.746 3.155 -16.942 1.00 0.00 N ATOM 1508 CA MET A 94 -8.505 1.917 -16.996 1.00 0.00 C ATOM 1509 C MET A 94 -8.837 1.539 -18.440 1.00 0.00 C ATOM 1510 O MET A 94 -9.412 2.338 -19.178 1.00 0.00 O ATOM 1511 CB MET A 94 -9.801 2.079 -16.199 1.00 0.00 C ATOM 1512 CG MET A 94 -10.659 0.815 -16.285 1.00 0.00 C ATOM 1513 SD MET A 94 -11.336 0.426 -14.680 1.00 0.00 S ATOM 1514 CE MET A 94 -10.278 -0.935 -14.219 1.00 0.00 C ATOM 0 H MET A 94 -8.290 3.997 -17.128 1.00 0.00 H new ATOM 0 HA MET A 94 -7.898 1.121 -16.564 1.00 0.00 H new ATOM 0 HB2 MET A 94 -9.567 2.293 -15.156 1.00 0.00 H new ATOM 0 HB3 MET A 94 -10.363 2.931 -16.581 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.466 0.961 -17.003 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.057 -0.019 -16.647 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.876 -1.840 -14.109 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.525 -1.089 -14.992 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.786 -0.709 -13.273 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.461 0.321 -18.801 1.00 0.00 N ATOM 1525 CA VAL A 95 -8.712 -0.173 -20.144 1.00 0.00 C ATOM 1526 C VAL A 95 -9.538 -1.457 -20.065 1.00 0.00 C ATOM 1527 O VAL A 95 -9.141 -2.414 -19.402 1.00 0.00 O ATOM 1528 CB VAL A 95 -7.388 -0.358 -20.889 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -7.546 -1.342 -22.050 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -6.843 0.985 -21.379 1.00 0.00 C ATOM 0 H VAL A 95 -7.984 -0.339 -18.186 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.293 0.551 -20.715 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.665 -0.778 -20.190 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.591 -1.456 -22.563 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.869 -2.309 -21.666 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.291 -0.963 -22.750 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.902 0.826 -21.905 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.563 1.445 -22.055 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.675 1.643 -20.526 1.00 0.00 H new ATOM 1540 N ARG A 96 -10.671 -1.438 -20.751 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.557 -2.590 -20.766 1.00 0.00 C ATOM 1542 C ARG A 96 -11.806 -3.087 -19.340 1.00 0.00 C ATOM 1543 O ARG A 96 -11.943 -4.287 -19.113 1.00 0.00 O ATOM 1544 CB ARG A 96 -10.965 -3.729 -21.599 1.00 0.00 C ATOM 1545 CG ARG A 96 -11.187 -3.487 -23.093 1.00 0.00 C ATOM 1546 CD ARG A 96 -12.260 -4.428 -23.647 1.00 0.00 C ATOM 1547 NE ARG A 96 -13.058 -3.732 -24.681 1.00 0.00 N ATOM 1548 CZ ARG A 96 -12.730 -3.691 -25.990 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -11.615 -4.306 -26.437 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -13.517 -3.040 -26.826 1.00 0.00 N ATOM 0 H ARG A 96 -10.996 -0.643 -21.301 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.500 -2.278 -21.216 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.898 -3.817 -21.396 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.424 -4.674 -21.308 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.486 -2.452 -23.257 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.252 -3.638 -23.633 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.792 -5.316 -24.073 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.910 -4.766 -22.840 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.909 -3.253 -24.386 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.012 -4.807 -25.784 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.375 -4.270 -27.428 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.358 -2.578 -26.480 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.284 -2.999 -27.818 1.00 0.00 H new ATOM 1563 N GLY A 97 -11.857 -2.137 -18.418 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.089 -2.463 -17.021 1.00 0.00 C ATOM 1565 C GLY A 97 -10.831 -3.056 -16.381 1.00 0.00 C ATOM 1566 O GLY A 97 -10.912 -3.737 -15.360 1.00 0.00 O ATOM 0 H GLY A 97 -11.742 -1.142 -18.611 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.389 -1.566 -16.479 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.912 -3.174 -16.941 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.698 -2.775 -17.008 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.426 -3.272 -16.513 1.00 0.00 C ATOM 1572 C VAL A 98 -7.460 -2.099 -16.331 1.00 0.00 C ATOM 1573 O VAL A 98 -7.260 -1.307 -17.252 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.885 -4.352 -17.452 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.355 -4.359 -17.456 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.439 -5.729 -17.080 1.00 0.00 C ATOM 0 H VAL A 98 -9.635 -2.209 -17.854 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.553 -3.742 -15.538 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.221 -4.117 -18.462 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.996 -5.136 -18.131 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.988 -3.389 -17.791 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.989 -4.557 -16.448 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.039 -6.479 -17.763 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.147 -5.975 -16.059 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.526 -5.715 -17.153 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.887 -2.025 -15.140 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.948 -0.961 -14.825 1.00 0.00 C ATOM 1588 C GLN A 99 -4.617 -1.201 -15.539 1.00 0.00 C ATOM 1589 O GLN A 99 -3.859 -2.095 -15.163 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.746 -0.836 -13.314 1.00 0.00 C ATOM 1591 CG GLN A 99 -7.075 -0.978 -12.570 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.144 -2.310 -11.819 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -6.211 -2.723 -11.149 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -8.296 -2.956 -11.967 1.00 0.00 N ATOM 0 H GLN A 99 -7.054 -2.685 -14.380 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.364 -0.018 -15.180 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.050 -1.602 -12.972 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.297 0.130 -13.082 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.192 -0.154 -11.867 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.901 -0.913 -13.278 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.036 -2.554 -12.542 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.440 -3.854 -11.505 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.372 -0.388 -16.556 1.00 0.00 N ATOM 1604 CA GLU A 100 -3.144 -0.500 -17.325 1.00 0.00 C ATOM 1605 C GLU A 100 -2.173 0.618 -16.940 1.00 0.00 C ATOM 1606 O GLU A 100 -2.399 1.781 -17.270 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.433 -0.482 -18.827 1.00 0.00 C ATOM 1608 CG GLU A 100 -2.139 -0.584 -19.637 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.436 -0.759 -21.127 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -2.066 0.102 -21.939 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -3.076 -1.838 -21.432 1.00 0.00 O ATOM 0 H GLU A 100 -5.003 0.351 -16.865 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.678 -1.457 -17.090 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.093 -1.311 -19.084 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.958 0.437 -19.089 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.539 0.314 -19.485 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.548 -1.427 -19.279 1.00 0.00 H new ATOM 1619 N LEU A 101 -1.113 0.226 -16.248 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.107 1.181 -15.815 1.00 0.00 C ATOM 1621 C LEU A 101 1.140 1.033 -16.689 1.00 0.00 C ATOM 1622 O LEU A 101 1.728 -0.045 -16.762 1.00 0.00 O ATOM 1623 CB LEU A 101 0.168 1.025 -14.318 1.00 0.00 C ATOM 1624 CG LEU A 101 0.567 2.302 -13.573 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.597 2.069 -12.062 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.898 2.849 -14.095 1.00 0.00 C ATOM 0 H LEU A 101 -0.929 -0.740 -15.977 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.468 2.201 -15.945 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.725 0.616 -13.845 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.962 0.290 -14.189 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.191 3.061 -13.767 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.883 2.992 -11.557 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.392 1.761 -11.722 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.321 1.288 -11.829 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.158 3.756 -13.549 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.679 2.103 -13.952 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.806 3.079 -15.157 1.00 0.00 H new ATOM 1638 N LEU A 102 1.508 2.133 -17.329 1.00 0.00 N ATOM 1639 CA LEU A 102 2.675 2.140 -18.195 1.00 0.00 C ATOM 1640 C LEU A 102 3.865 2.730 -17.436 1.00 0.00 C ATOM 1641 O LEU A 102 3.817 3.876 -16.992 1.00 0.00 O ATOM 1642 CB LEU A 102 2.364 2.862 -19.508 1.00 0.00 C ATOM 1643 CG LEU A 102 1.115 2.389 -20.253 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.287 2.541 -21.765 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.749 0.957 -19.859 1.00 0.00 C ATOM 0 H LEU A 102 1.019 3.026 -17.265 1.00 0.00 H new ATOM 0 HA LEU A 102 2.948 1.122 -18.474 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.256 3.926 -19.298 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.222 2.753 -20.172 1.00 0.00 H new ATOM 0 HG LEU A 102 0.281 3.026 -19.958 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.384 2.197 -22.270 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.462 3.589 -22.008 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.137 1.945 -22.096 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.143 0.646 -20.404 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.575 0.290 -20.105 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.553 0.913 -18.788 1.00 0.00 H new ATOM 1657 N LEU A 103 4.906 1.920 -17.310 1.00 0.00 N ATOM 1658 CA LEU A 103 6.107 2.347 -16.613 1.00 0.00 C ATOM 1659 C LEU A 103 7.233 2.560 -17.627 1.00 0.00 C ATOM 1660 O LEU A 103 7.508 1.686 -18.447 1.00 0.00 O ATOM 1661 CB LEU A 103 6.461 1.359 -15.500 1.00 0.00 C ATOM 1662 CG LEU A 103 5.591 1.425 -14.242 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.562 0.074 -13.525 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.048 2.556 -13.319 1.00 0.00 C ATOM 0 H LEU A 103 4.942 0.970 -17.679 1.00 0.00 H new ATOM 0 HA LEU A 103 5.939 3.303 -16.117 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.402 0.349 -15.906 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.498 1.526 -15.210 1.00 0.00 H new ATOM 0 HG LEU A 103 4.568 1.650 -14.544 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.937 0.148 -12.635 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.153 -0.684 -14.193 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.575 -0.206 -13.235 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.414 2.581 -12.433 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.082 2.386 -13.020 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.974 3.508 -13.845 1.00 0.00 H new ATOM 1676 N LYS A 104 7.854 3.728 -17.538 1.00 0.00 N ATOM 1677 CA LYS A 104 8.943 4.066 -18.438 1.00 0.00 C ATOM 1678 C LYS A 104 10.226 4.263 -17.628 1.00 0.00 C ATOM 1679 O LYS A 104 10.265 5.081 -16.710 1.00 0.00 O ATOM 1680 CB LYS A 104 8.569 5.273 -19.301 1.00 0.00 C ATOM 1681 CG LYS A 104 9.232 5.188 -20.678 1.00 0.00 C ATOM 1682 CD LYS A 104 10.724 5.509 -20.589 1.00 0.00 C ATOM 1683 CE LYS A 104 10.950 6.986 -20.259 1.00 0.00 C ATOM 1684 NZ LYS A 104 10.345 7.847 -21.301 1.00 0.00 N ATOM 0 H LYS A 104 7.623 4.451 -16.857 1.00 0.00 H new ATOM 0 HA LYS A 104 9.128 3.249 -19.136 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.486 5.320 -19.417 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.877 6.191 -18.801 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.096 4.188 -21.090 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.747 5.884 -21.363 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.188 4.887 -19.824 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.209 5.266 -21.535 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.514 7.219 -19.288 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.018 7.189 -20.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.777 8.793 -21.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.511 7.427 -22.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.322 7.927 -21.134 1.00 0.00 H new ATOM 1697 N LEU A 105 11.244 3.499 -17.996 1.00 0.00 N ATOM 1698 CA LEU A 105 12.525 3.579 -17.314 1.00 0.00 C ATOM 1699 C LEU A 105 13.494 4.411 -18.157 1.00 0.00 C ATOM 1700 O LEU A 105 13.701 4.126 -19.336 1.00 0.00 O ATOM 1701 CB LEU A 105 13.043 2.178 -16.983 1.00 0.00 C ATOM 1702 CG LEU A 105 14.415 2.114 -16.309 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.484 3.062 -15.111 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.769 0.676 -15.923 1.00 0.00 C ATOM 0 H LEU A 105 11.208 2.822 -18.758 1.00 0.00 H new ATOM 0 HA LEU A 105 12.417 4.088 -16.356 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.318 1.688 -16.334 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.086 1.600 -17.906 1.00 0.00 H new ATOM 0 HG LEU A 105 15.163 2.449 -17.027 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.470 2.996 -14.651 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.307 4.084 -15.445 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.724 2.782 -14.381 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.749 0.658 -15.446 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.021 0.291 -15.230 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.790 0.054 -16.818 1.00 0.00 H new ATOM 1716 N LEU A 106 14.064 5.422 -17.518 1.00 0.00 N ATOM 1717 CA LEU A 106 15.007 6.298 -18.194 1.00 0.00 C ATOM 1718 C LEU A 106 16.434 5.870 -17.843 1.00 0.00 C ATOM 1719 O LEU A 106 16.665 5.262 -16.799 1.00 0.00 O ATOM 1720 CB LEU A 106 14.707 7.762 -17.868 1.00 0.00 C ATOM 1721 CG LEU A 106 13.232 8.169 -17.912 1.00 0.00 C ATOM 1722 CD1 LEU A 106 12.703 8.464 -16.507 1.00 0.00 C ATOM 1723 CD2 LEU A 106 13.017 9.347 -18.864 1.00 0.00 C ATOM 0 H LEU A 106 13.891 5.654 -16.540 1.00 0.00 H new ATOM 0 HA LEU A 106 14.903 6.209 -19.275 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.094 7.979 -16.872 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.258 8.390 -18.568 1.00 0.00 H new ATOM 0 HG LEU A 106 12.657 7.330 -18.303 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.653 8.751 -16.566 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.801 7.573 -15.887 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.277 9.279 -16.066 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.961 9.616 -18.877 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.605 10.200 -18.526 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.332 9.065 -19.869 1.00 0.00 H new