USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 797 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 119 GLN :FLIP amide:sc= -0.321 F(o=-0.37,f=0.32) USER MOD Set 1.2: A 123 THR OG1 : rot 148:sc= 0.638 USER MOD Set 2.1: A 68 GLN :FLIP amide:sc= 0.285 F(o=-5.9!,f=-0.035) USER MOD Set 2.2: A 71 SER OG : rot -97:sc= -0.32 USER MOD Set 3.1: A 61 CYS SG : rot 20:sc= -6.72! USER MOD Set 3.2: A 65 ASN :FLIP amide:sc= -3.08! F(o=-11,f=-9.8!) USER MOD Set 4.1: A 55 LYS NZ :NH3+ -110:sc= 0.0308 (180deg=0) USER MOD Set 4.2: A 114 ASN : amide:sc= -2.49 K(o=-2.5,f=-7.8!) USER MOD Single : A 33 GLN : amide:sc= -0.893 K(o=-0.89,f=-3.2!) USER MOD Single : A 42 THR OG1 : rot 115:sc= -1.66 USER MOD Single : A 49 ASN : amide:sc= -0.0687 K(o=-0.069,f=-2.5!) USER MOD Single : A 51 MET CE :methyl -167:sc= -4.59! (180deg=-5.1!) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 0.0638 (180deg=0.00791) USER MOD Single : A 73 GLN : amide:sc= -0.803 K(o=-0.8,f=-2.9!) USER MOD Single : A 74 LYS NZ :NH3+ 167:sc= -0.0384 (180deg=-0.22) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.731 F(o=-2.8,f=-0.73) USER MOD Single : A 80 GLN : amide:sc= -0.0687 X(o=-0.069,f=0) USER MOD Single : A 81 ASN : amide:sc= -0.719 K(o=-0.72,f=-3.9!) USER MOD Single : A 83 HIS : no HE2:sc= 0.394 K(o=0.39,f=-2.6!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -2.4! C(o=-2.4!,f=-8.8!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.397 F(o=-1.7,f=-0.4) USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= -3.39! (180deg=-6.05!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.00033) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0295 (180deg=-0.26) USER MOD Single : A 103 HIS : no HD1:sc= -0.325 K(o=-0.33,f=-1.4) USER MOD Single : A 109 ASN :FLIP amide:sc= -0.166 F(o=-2.5!,f=-0.17) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -2.91! C(o=-2.9!,f=-8.3!) USER MOD Single : A 117 HIS : no HE2:sc= -2.75! C(o=-2.7!,f=-7.8!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 122 SER OG : rot 75:sc= 0.146 USER MOD Single : A 129 SER OG : rot 71:sc= 0.00101 USER MOD Single : A 130 GLN : amide:sc= -2.33! C(o=-2.3!,f=-3.8!) USER MOD Single : A 132 LYS NZ :NH3+ 176:sc= 0.0533 (180deg=-0.0434) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 33 -5.990 -2.833 -14.250 1.00 0.00 N ATOM 105 CA GLN A 33 -6.838 -1.846 -13.595 1.00 0.00 C ATOM 106 C GLN A 33 -6.233 -1.417 -12.263 1.00 0.00 C ATOM 107 O GLN A 33 -6.495 -0.317 -11.778 1.00 0.00 O ATOM 108 CB GLN A 33 -8.242 -2.412 -13.374 1.00 0.00 C ATOM 109 CG GLN A 33 -8.954 -2.801 -14.661 1.00 0.00 C ATOM 110 CD GLN A 33 -9.190 -1.619 -15.583 1.00 0.00 C ATOM 111 OE1 GLN A 33 -8.247 -0.975 -16.043 1.00 0.00 O ATOM 112 NE2 GLN A 33 -10.457 -1.328 -15.858 1.00 0.00 N ATOM 0 HA GLN A 33 -6.908 -0.973 -14.243 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.174 -3.287 -12.728 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.843 -1.672 -12.846 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.363 -3.552 -15.185 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.911 -3.262 -14.416 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.208 -1.888 -15.455 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.679 -0.544 -16.472 1.00 0.00 H new ATOM 121 N LEU A 34 -5.429 -2.295 -11.676 1.00 0.00 N ATOM 122 CA LEU A 34 -4.791 -2.014 -10.397 1.00 0.00 C ATOM 123 C LEU A 34 -3.698 -0.959 -10.549 1.00 0.00 C ATOM 124 O LEU A 34 -3.667 0.024 -9.809 1.00 0.00 O ATOM 125 CB LEU A 34 -4.194 -3.299 -9.819 1.00 0.00 C ATOM 126 CG LEU A 34 -3.577 -3.163 -8.433 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.630 -2.751 -7.420 1.00 0.00 C ATOM 128 CD2 LEU A 34 -2.914 -4.468 -8.012 1.00 0.00 C ATOM 0 H LEU A 34 -5.203 -3.210 -12.067 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.549 -1.626 -9.716 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.976 -4.057 -9.778 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.430 -3.666 -10.505 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.813 -2.386 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.171 -2.659 -6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.060 -1.793 -7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.416 -3.505 -7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.479 -4.351 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.658 -5.264 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.130 -4.724 -8.724 1.00 0.00 H new ATOM 140 N ARG A 35 -2.799 -1.175 -11.504 1.00 0.00 N ATOM 141 CA ARG A 35 -1.701 -0.243 -11.741 1.00 0.00 C ATOM 142 C ARG A 35 -2.219 1.106 -12.232 1.00 0.00 C ATOM 143 O ARG A 35 -1.802 2.151 -11.740 1.00 0.00 O ATOM 144 CB ARG A 35 -0.703 -0.829 -12.745 1.00 0.00 C ATOM 145 CG ARG A 35 -1.313 -1.165 -14.096 1.00 0.00 C ATOM 146 CD ARG A 35 -0.280 -1.755 -15.042 1.00 0.00 C ATOM 147 NE ARG A 35 0.827 -0.835 -15.294 1.00 0.00 N ATOM 148 CZ ARG A 35 0.687 0.348 -15.889 1.00 0.00 C ATOM 149 NH1 ARG A 35 -0.505 0.751 -16.305 1.00 0.00 N ATOM 150 NH2 ARG A 35 1.746 1.126 -16.072 1.00 0.00 N ATOM 0 H ARG A 35 -2.808 -1.984 -12.125 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.188 -0.083 -10.792 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.110 -0.118 -12.891 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.264 -1.732 -12.321 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.131 -1.873 -13.961 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.740 -0.265 -14.538 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.109 -2.682 -14.620 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.759 -2.011 -15.987 1.00 0.00 H new ATOM 0 HE ARG A 35 1.762 -1.115 -14.997 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.321 0.154 -16.170 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.606 1.658 -16.760 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.666 0.818 -15.757 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.640 2.032 -16.528 1.00 0.00 H new ATOM 164 N VAL A 36 -3.132 1.079 -13.198 1.00 0.00 N ATOM 165 CA VAL A 36 -3.700 2.309 -13.740 1.00 0.00 C ATOM 166 C VAL A 36 -4.329 3.137 -12.630 1.00 0.00 C ATOM 167 O VAL A 36 -4.150 4.353 -12.558 1.00 0.00 O ATOM 168 CB VAL A 36 -4.763 2.007 -14.817 1.00 0.00 C ATOM 169 CG1 VAL A 36 -6.029 1.431 -14.202 1.00 0.00 C ATOM 170 CG2 VAL A 36 -5.071 3.254 -15.632 1.00 0.00 C ATOM 0 H VAL A 36 -3.493 0.223 -13.620 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.888 2.872 -14.199 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.353 1.253 -15.488 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.757 1.230 -14.988 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.791 0.503 -13.682 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.448 2.147 -13.494 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.823 3.020 -16.386 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.449 4.035 -14.973 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.162 3.602 -16.122 1.00 0.00 H new ATOM 180 N TRP A 37 -5.064 2.453 -11.769 1.00 0.00 N ATOM 181 CA TRP A 37 -5.739 3.089 -10.643 1.00 0.00 C ATOM 182 C TRP A 37 -4.742 3.747 -9.687 1.00 0.00 C ATOM 183 O TRP A 37 -4.690 4.970 -9.573 1.00 0.00 O ATOM 184 CB TRP A 37 -6.593 2.044 -9.895 1.00 0.00 C ATOM 185 CG TRP A 37 -6.736 2.289 -8.415 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.781 3.494 -7.772 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.856 1.291 -7.393 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.874 3.304 -6.418 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.941 1.963 -6.160 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.893 -0.106 -7.401 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -7.059 1.288 -4.948 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -7.015 -0.775 -6.197 1.00 0.00 C ATOM 193 CH2 TRP A 37 -7.096 -0.078 -4.987 1.00 0.00 C ATOM 0 H TRP A 37 -5.211 1.445 -11.828 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.385 3.876 -11.032 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.586 2.019 -10.343 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.151 1.059 -10.045 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.748 4.457 -8.260 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.891 4.044 -5.716 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.828 -0.653 -8.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -7.119 1.824 -4.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -7.048 -1.854 -6.191 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.190 -0.631 -4.064 1.00 0.00 H new ATOM 204 N ILE A 38 -3.987 2.919 -8.977 1.00 0.00 N ATOM 205 CA ILE A 38 -3.022 3.395 -7.992 1.00 0.00 C ATOM 206 C ILE A 38 -2.046 4.416 -8.576 1.00 0.00 C ATOM 207 O ILE A 38 -1.868 5.500 -8.019 1.00 0.00 O ATOM 208 CB ILE A 38 -2.240 2.210 -7.404 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.197 1.229 -6.723 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.181 2.695 -6.425 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.596 -0.141 -6.494 1.00 0.00 C ATOM 0 H ILE A 38 -4.025 1.904 -9.066 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.588 3.895 -7.206 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.734 1.692 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.509 1.645 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.094 1.126 -7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.640 1.839 -6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.484 3.355 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.660 3.239 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.330 -0.784 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.309 -0.577 -7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.715 -0.050 -5.858 1.00 0.00 H new ATOM 223 N GLU A 39 -1.415 4.072 -9.694 1.00 0.00 N ATOM 224 CA GLU A 39 -0.460 4.973 -10.336 1.00 0.00 C ATOM 225 C GLU A 39 -1.134 6.281 -10.740 1.00 0.00 C ATOM 226 O GLU A 39 -0.587 7.364 -10.533 1.00 0.00 O ATOM 227 CB GLU A 39 0.163 4.308 -11.565 1.00 0.00 C ATOM 228 CG GLU A 39 0.970 3.061 -11.241 1.00 0.00 C ATOM 229 CD GLU A 39 1.453 2.342 -12.486 1.00 0.00 C ATOM 230 OE1 GLU A 39 0.602 1.949 -13.312 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.679 2.170 -12.635 1.00 0.00 O ATOM 0 H GLU A 39 -1.545 3.181 -10.173 1.00 0.00 H new ATOM 0 HA GLU A 39 0.328 5.195 -9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.629 4.045 -12.266 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.809 5.027 -12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.828 3.337 -10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.359 2.381 -10.647 1.00 0.00 H new ATOM 238 N GLY A 40 -2.324 6.168 -11.320 1.00 0.00 N ATOM 239 CA GLY A 40 -3.060 7.344 -11.750 1.00 0.00 C ATOM 240 C GLY A 40 -3.439 8.254 -10.598 1.00 0.00 C ATOM 241 O GLY A 40 -3.438 9.477 -10.740 1.00 0.00 O ATOM 0 H GLY A 40 -2.794 5.281 -11.501 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.457 7.903 -12.465 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.964 7.030 -12.272 1.00 0.00 H new ATOM 245 N ALA A 41 -3.776 7.657 -9.458 1.00 0.00 N ATOM 246 CA ALA A 41 -4.172 8.422 -8.279 1.00 0.00 C ATOM 247 C ALA A 41 -3.105 9.440 -7.892 1.00 0.00 C ATOM 248 O ALA A 41 -3.370 10.641 -7.837 1.00 0.00 O ATOM 249 CB ALA A 41 -4.447 7.485 -7.113 1.00 0.00 C ATOM 0 H ALA A 41 -3.783 6.646 -9.326 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.084 8.967 -8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.741 8.067 -6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.251 6.799 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.546 6.916 -6.883 1.00 0.00 H new ATOM 255 N THR A 42 -1.899 8.953 -7.622 1.00 0.00 N ATOM 256 CA THR A 42 -0.794 9.823 -7.238 1.00 0.00 C ATOM 257 C THR A 42 -0.108 10.420 -8.461 1.00 0.00 C ATOM 258 O THR A 42 -0.148 11.631 -8.679 1.00 0.00 O ATOM 259 CB THR A 42 0.246 9.058 -6.397 1.00 0.00 C ATOM 260 OG1 THR A 42 0.760 7.949 -7.144 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.374 8.555 -5.100 1.00 0.00 C ATOM 0 H THR A 42 -1.662 7.962 -7.662 1.00 0.00 H new ATOM 0 HA THR A 42 -1.216 10.630 -6.640 1.00 0.00 H new ATOM 0 HB THR A 42 1.059 9.742 -6.154 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.714 8.088 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.378 8.018 -4.522 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.741 9.402 -4.520 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.203 7.885 -5.329 1.00 0.00 H new ATOM 269 N GLY A 43 0.526 9.561 -9.252 1.00 0.00 N ATOM 270 CA GLY A 43 1.219 10.011 -10.442 1.00 0.00 C ATOM 271 C GLY A 43 2.390 9.113 -10.777 1.00 0.00 C ATOM 272 O GLY A 43 2.686 8.867 -11.946 1.00 0.00 O ATOM 0 H GLY A 43 0.571 8.555 -9.087 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.525 10.033 -11.282 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.573 11.031 -10.294 1.00 0.00 H new ATOM 276 N ARG A 44 3.059 8.630 -9.736 1.00 0.00 N ATOM 277 CA ARG A 44 4.213 7.756 -9.895 1.00 0.00 C ATOM 278 C ARG A 44 3.813 6.441 -10.555 1.00 0.00 C ATOM 279 O ARG A 44 2.821 5.822 -10.171 1.00 0.00 O ATOM 280 CB ARG A 44 4.843 7.469 -8.533 1.00 0.00 C ATOM 281 CG ARG A 44 4.861 8.671 -7.602 1.00 0.00 C ATOM 282 CD ARG A 44 5.600 9.842 -8.218 1.00 0.00 C ATOM 283 NE ARG A 44 5.637 10.999 -7.329 1.00 0.00 N ATOM 284 CZ ARG A 44 6.231 12.148 -7.637 1.00 0.00 C ATOM 285 NH1 ARG A 44 6.839 12.292 -8.807 1.00 0.00 N ATOM 286 NH2 ARG A 44 6.217 13.155 -6.774 1.00 0.00 N ATOM 0 H ARG A 44 2.818 8.832 -8.766 1.00 0.00 H new ATOM 0 HA ARG A 44 4.936 8.263 -10.534 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.296 6.657 -8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.865 7.120 -8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.838 8.967 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.335 8.395 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.619 9.540 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.118 10.121 -9.155 1.00 0.00 H new ATOM 0 HE ARG A 44 5.181 10.922 -6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.852 11.520 -9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.294 13.175 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.750 13.048 -5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.673 14.036 -7.011 1.00 0.00 H new ATOM 300 N ARG A 45 4.594 6.013 -11.541 1.00 0.00 N ATOM 301 CA ARG A 45 4.320 4.763 -12.239 1.00 0.00 C ATOM 302 C ARG A 45 4.890 3.575 -11.468 1.00 0.00 C ATOM 303 O ARG A 45 5.284 2.574 -12.067 1.00 0.00 O ATOM 304 CB ARG A 45 4.907 4.807 -13.650 1.00 0.00 C ATOM 305 CG ARG A 45 4.343 5.924 -14.514 1.00 0.00 C ATOM 306 CD ARG A 45 2.844 5.771 -14.718 1.00 0.00 C ATOM 307 NE ARG A 45 2.289 6.847 -15.534 1.00 0.00 N ATOM 308 CZ ARG A 45 1.002 6.941 -15.856 1.00 0.00 C ATOM 309 NH1 ARG A 45 0.140 6.025 -15.433 1.00 0.00 N ATOM 310 NH2 ARG A 45 0.576 7.952 -16.601 1.00 0.00 N ATOM 0 H ARG A 45 5.419 6.512 -11.874 1.00 0.00 H new ATOM 0 HA ARG A 45 3.239 4.639 -12.309 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.988 4.925 -13.580 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.721 3.852 -14.141 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.551 6.887 -14.047 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.844 5.925 -15.482 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.639 4.812 -15.195 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.346 5.758 -13.749 1.00 0.00 H new ATOM 0 HE ARG A 45 2.924 7.568 -15.877 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.464 5.246 -14.859 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.846 6.100 -15.681 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.236 8.658 -16.928 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.411 8.023 -16.848 1.00 0.00 H new ATOM 324 N ILE A 46 4.918 3.696 -10.139 1.00 0.00 N ATOM 325 CA ILE A 46 5.429 2.644 -9.263 1.00 0.00 C ATOM 326 C ILE A 46 6.950 2.492 -9.372 1.00 0.00 C ATOM 327 O ILE A 46 7.635 2.340 -8.360 1.00 0.00 O ATOM 328 CB ILE A 46 4.747 1.295 -9.556 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.286 1.335 -9.098 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.494 0.152 -8.881 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.508 0.082 -9.435 1.00 0.00 C ATOM 0 H ILE A 46 4.588 4.524 -9.643 1.00 0.00 H new ATOM 0 HA ILE A 46 5.192 2.947 -8.243 1.00 0.00 H new ATOM 0 HB ILE A 46 4.771 1.120 -10.632 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.257 1.491 -8.020 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.794 2.192 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.994 -0.791 -9.102 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.518 0.116 -9.254 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.506 0.312 -7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.483 0.184 -9.080 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.505 -0.065 -10.515 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.975 -0.777 -8.953 1.00 0.00 H new ATOM 343 N GLY A 47 7.473 2.540 -10.593 1.00 0.00 N ATOM 344 CA GLY A 47 8.905 2.409 -10.794 1.00 0.00 C ATOM 345 C GLY A 47 9.411 1.005 -10.521 1.00 0.00 C ATOM 346 O GLY A 47 9.010 0.370 -9.545 1.00 0.00 O ATOM 0 H GLY A 47 6.931 2.667 -11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.150 2.686 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.425 3.111 -10.142 1.00 0.00 H new ATOM 350 N ASP A 48 10.300 0.526 -11.388 1.00 0.00 N ATOM 351 CA ASP A 48 10.876 -0.809 -11.249 1.00 0.00 C ATOM 352 C ASP A 48 9.792 -1.887 -11.290 1.00 0.00 C ATOM 353 O ASP A 48 8.808 -1.762 -12.018 1.00 0.00 O ATOM 354 CB ASP A 48 11.674 -0.907 -9.946 1.00 0.00 C ATOM 355 CG ASP A 48 12.817 0.088 -9.891 1.00 0.00 C ATOM 356 OD1 ASP A 48 12.549 1.305 -9.962 1.00 0.00 O ATOM 357 OD2 ASP A 48 13.981 -0.352 -9.776 1.00 0.00 O ATOM 0 H ASP A 48 10.638 1.046 -12.198 1.00 0.00 H new ATOM 0 HA ASP A 48 11.548 -0.977 -12.091 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.007 -0.737 -9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.070 -1.917 -9.841 1.00 0.00 H new ATOM 362 N ASN A 49 9.985 -2.948 -10.508 1.00 0.00 N ATOM 363 CA ASN A 49 9.031 -4.050 -10.458 1.00 0.00 C ATOM 364 C ASN A 49 7.698 -3.604 -9.863 1.00 0.00 C ATOM 365 O ASN A 49 7.653 -2.737 -8.992 1.00 0.00 O ATOM 366 CB ASN A 49 9.602 -5.213 -9.647 1.00 0.00 C ATOM 367 CG ASN A 49 10.887 -5.757 -10.240 1.00 0.00 C ATOM 368 OD1 ASN A 49 11.878 -5.038 -10.369 1.00 0.00 O ATOM 369 ND2 ASN A 49 10.876 -7.034 -10.606 1.00 0.00 N ATOM 0 H ASN A 49 10.796 -3.066 -9.900 1.00 0.00 H new ATOM 0 HA ASN A 49 8.853 -4.381 -11.481 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.788 -4.883 -8.625 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.863 -6.012 -9.594 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.711 -7.455 -11.012 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.032 -7.593 -10.481 1.00 0.00 H new ATOM 376 N PHE A 50 6.617 -4.206 -10.349 1.00 0.00 N ATOM 377 CA PHE A 50 5.273 -3.885 -9.881 1.00 0.00 C ATOM 378 C PHE A 50 5.144 -4.108 -8.374 1.00 0.00 C ATOM 379 O PHE A 50 4.617 -3.260 -7.655 1.00 0.00 O ATOM 380 CB PHE A 50 4.249 -4.748 -10.627 1.00 0.00 C ATOM 381 CG PHE A 50 2.819 -4.484 -10.241 1.00 0.00 C ATOM 382 CD1 PHE A 50 2.302 -3.198 -10.268 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.991 -5.527 -9.858 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.986 -2.958 -9.920 1.00 0.00 C ATOM 385 CE2 PHE A 50 0.673 -5.292 -9.507 1.00 0.00 C ATOM 386 CZ PHE A 50 0.171 -4.006 -9.539 1.00 0.00 C ATOM 0 H PHE A 50 6.647 -4.924 -11.072 1.00 0.00 H new ATOM 0 HA PHE A 50 5.081 -2.831 -10.083 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.361 -4.580 -11.698 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.475 -5.799 -10.444 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.935 -2.374 -10.564 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.379 -6.535 -9.833 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.595 -1.952 -9.946 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.038 -6.113 -9.209 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.857 -3.820 -9.267 1.00 0.00 H new ATOM 396 N MET A 51 5.617 -5.260 -7.909 1.00 0.00 N ATOM 397 CA MET A 51 5.548 -5.606 -6.491 1.00 0.00 C ATOM 398 C MET A 51 6.606 -4.858 -5.687 1.00 0.00 C ATOM 399 O MET A 51 6.318 -4.296 -4.630 1.00 0.00 O ATOM 400 CB MET A 51 5.744 -7.111 -6.311 1.00 0.00 C ATOM 401 CG MET A 51 4.984 -7.940 -7.330 1.00 0.00 C ATOM 402 SD MET A 51 3.200 -7.707 -7.234 1.00 0.00 S ATOM 403 CE MET A 51 2.877 -8.322 -5.586 1.00 0.00 C ATOM 0 H MET A 51 6.054 -5.972 -8.494 1.00 0.00 H new ATOM 0 HA MET A 51 4.564 -5.315 -6.123 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.806 -7.343 -6.383 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.423 -7.395 -5.309 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.326 -7.678 -8.331 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.216 -8.994 -7.179 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.804 -8.464 -5.454 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.389 -9.274 -5.446 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.241 -7.603 -4.852 1.00 0.00 H new ATOM 413 N ASP A 52 7.835 -4.872 -6.194 1.00 0.00 N ATOM 414 CA ASP A 52 8.956 -4.211 -5.526 1.00 0.00 C ATOM 415 C ASP A 52 8.630 -2.756 -5.198 1.00 0.00 C ATOM 416 O ASP A 52 8.872 -2.293 -4.083 1.00 0.00 O ATOM 417 CB ASP A 52 10.207 -4.281 -6.406 1.00 0.00 C ATOM 418 CG ASP A 52 11.425 -3.645 -5.757 1.00 0.00 C ATOM 419 OD1 ASP A 52 11.310 -3.162 -4.612 1.00 0.00 O ATOM 420 OD2 ASP A 52 12.497 -3.633 -6.399 1.00 0.00 O ATOM 0 H ASP A 52 8.082 -5.335 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 52 9.143 -4.734 -4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.426 -5.324 -6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.006 -3.783 -7.355 1.00 0.00 H new ATOM 425 N GLY A 53 8.081 -2.040 -6.174 1.00 0.00 N ATOM 426 CA GLY A 53 7.733 -0.646 -5.968 1.00 0.00 C ATOM 427 C GLY A 53 6.813 -0.445 -4.780 1.00 0.00 C ATOM 428 O GLY A 53 6.867 0.583 -4.107 1.00 0.00 O ATOM 0 H GLY A 53 7.871 -2.401 -7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.644 -0.066 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.251 -0.259 -6.866 1.00 0.00 H new ATOM 432 N LEU A 54 5.958 -1.428 -4.529 1.00 0.00 N ATOM 433 CA LEU A 54 5.013 -1.360 -3.422 1.00 0.00 C ATOM 434 C LEU A 54 5.722 -1.456 -2.069 1.00 0.00 C ATOM 435 O LEU A 54 5.310 -0.818 -1.100 1.00 0.00 O ATOM 436 CB LEU A 54 3.974 -2.476 -3.551 1.00 0.00 C ATOM 437 CG LEU A 54 3.170 -2.468 -4.855 1.00 0.00 C ATOM 438 CD1 LEU A 54 2.243 -3.671 -4.916 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.374 -1.177 -4.990 1.00 0.00 C ATOM 0 H LEU A 54 5.900 -2.285 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 54 4.514 -0.392 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.482 -3.436 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.280 -2.403 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 54 3.871 -2.527 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.680 -3.649 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.832 -4.587 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.552 -3.641 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.811 -1.193 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.684 -1.085 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.057 -0.327 -4.993 1.00 0.00 H new ATOM 451 N LYS A 55 6.773 -2.273 -2.002 1.00 0.00 N ATOM 452 CA LYS A 55 7.519 -2.468 -0.760 1.00 0.00 C ATOM 453 C LYS A 55 8.003 -1.149 -0.161 1.00 0.00 C ATOM 454 O LYS A 55 7.774 -0.881 1.018 1.00 0.00 O ATOM 455 CB LYS A 55 8.715 -3.384 -1.007 1.00 0.00 C ATOM 456 CG LYS A 55 8.348 -4.683 -1.698 1.00 0.00 C ATOM 457 CD LYS A 55 9.515 -5.652 -1.723 1.00 0.00 C ATOM 458 CE LYS A 55 10.759 -5.018 -2.321 1.00 0.00 C ATOM 459 NZ LYS A 55 11.899 -5.974 -2.376 1.00 0.00 N ATOM 0 H LYS A 55 7.127 -2.810 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 55 6.837 -2.927 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.450 -2.854 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.192 -3.611 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.504 -5.143 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.026 -4.475 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.730 -5.989 -0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.243 -6.535 -2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.536 -4.660 -3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.043 -4.148 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.624 -5.690 -1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.561 -6.931 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.310 -5.970 -3.331 1.00 0.00 H new ATOM 473 N ASP A 56 8.678 -0.332 -0.965 1.00 0.00 N ATOM 474 CA ASP A 56 9.192 0.946 -0.483 1.00 0.00 C ATOM 475 C ASP A 56 8.080 1.769 0.161 1.00 0.00 C ATOM 476 O ASP A 56 8.316 2.513 1.114 1.00 0.00 O ATOM 477 CB ASP A 56 9.857 1.735 -1.617 1.00 0.00 C ATOM 478 CG ASP A 56 8.915 2.024 -2.769 1.00 0.00 C ATOM 479 OD1 ASP A 56 7.886 2.695 -2.544 1.00 0.00 O ATOM 480 OD2 ASP A 56 9.213 1.586 -3.900 1.00 0.00 O ATOM 0 H ASP A 56 8.880 -0.530 -1.945 1.00 0.00 H new ATOM 0 HA ASP A 56 9.948 0.738 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.239 2.677 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.715 1.174 -1.988 1.00 0.00 H new ATOM 485 N GLY A 57 6.867 1.618 -0.360 1.00 0.00 N ATOM 486 CA GLY A 57 5.729 2.340 0.175 1.00 0.00 C ATOM 487 C GLY A 57 5.854 3.840 0.011 1.00 0.00 C ATOM 488 O GLY A 57 6.638 4.487 0.707 1.00 0.00 O ATOM 0 H GLY A 57 6.652 1.005 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.822 1.999 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.619 2.103 1.233 1.00 0.00 H new ATOM 492 N VAL A 58 5.065 4.391 -0.905 1.00 0.00 N ATOM 493 CA VAL A 58 5.059 5.825 -1.175 1.00 0.00 C ATOM 494 C VAL A 58 3.730 6.227 -1.795 1.00 0.00 C ATOM 495 O VAL A 58 3.014 7.079 -1.271 1.00 0.00 O ATOM 496 CB VAL A 58 6.178 6.241 -2.155 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.157 7.747 -2.378 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.546 5.796 -1.661 1.00 0.00 C ATOM 0 H VAL A 58 4.413 3.858 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 58 5.221 6.325 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 58 5.990 5.742 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.952 8.023 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.194 8.040 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.311 8.258 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.309 6.105 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.749 6.252 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.561 4.711 -1.561 1.00 0.00 H new ATOM 508 N ILE A 59 3.414 5.596 -2.918 1.00 0.00 N ATOM 509 CA ILE A 59 2.180 5.863 -3.634 1.00 0.00 C ATOM 510 C ILE A 59 0.984 5.245 -2.924 1.00 0.00 C ATOM 511 O ILE A 59 -0.072 5.864 -2.829 1.00 0.00 O ATOM 512 CB ILE A 59 2.246 5.334 -5.083 1.00 0.00 C ATOM 513 CG1 ILE A 59 3.221 6.169 -5.909 1.00 0.00 C ATOM 514 CG2 ILE A 59 0.866 5.336 -5.722 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.677 5.983 -5.536 1.00 0.00 C ATOM 0 H ILE A 59 4.005 4.888 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 59 2.056 6.946 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 59 2.606 4.305 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.094 5.918 -6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.962 7.222 -5.799 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.937 4.959 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.197 4.697 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.473 6.353 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.299 6.613 -6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.824 6.263 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.957 4.939 -5.674 1.00 0.00 H new ATOM 527 N LEU A 60 1.153 4.021 -2.430 1.00 0.00 N ATOM 528 CA LEU A 60 0.074 3.336 -1.730 1.00 0.00 C ATOM 529 C LEU A 60 -0.407 4.172 -0.553 1.00 0.00 C ATOM 530 O LEU A 60 -1.608 4.365 -0.369 1.00 0.00 O ATOM 531 CB LEU A 60 0.527 1.955 -1.258 1.00 0.00 C ATOM 532 CG LEU A 60 0.903 0.984 -2.381 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.258 -0.379 -1.808 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.233 0.866 -3.389 1.00 0.00 C ATOM 0 H LEU A 60 2.020 3.488 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.756 3.203 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.386 2.076 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.271 1.510 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 60 1.778 1.376 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.523 -1.057 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.104 -0.279 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.402 -0.780 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.053 0.172 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.128 0.497 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.438 1.845 -3.822 1.00 0.00 H new ATOM 546 N CYS A 61 0.537 4.692 0.226 1.00 0.00 N ATOM 547 CA CYS A 61 0.197 5.536 1.361 1.00 0.00 C ATOM 548 C CYS A 61 -0.532 6.782 0.876 1.00 0.00 C ATOM 549 O CYS A 61 -1.574 7.156 1.410 1.00 0.00 O ATOM 550 CB CYS A 61 1.454 5.933 2.136 1.00 0.00 C ATOM 551 SG CYS A 61 1.364 7.585 2.862 1.00 0.00 S ATOM 0 H CYS A 61 1.537 4.544 0.091 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.455 4.974 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.627 5.206 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.313 5.885 1.467 1.00 0.00 H new ATOM 0 HG CYS A 61 0.121 7.955 2.945 1.00 0.00 H new ATOM 557 N GLU A 62 0.021 7.409 -0.152 1.00 0.00 N ATOM 558 CA GLU A 62 -0.571 8.602 -0.734 1.00 0.00 C ATOM 559 C GLU A 62 -1.968 8.303 -1.271 1.00 0.00 C ATOM 560 O GLU A 62 -2.851 9.158 -1.241 1.00 0.00 O ATOM 561 CB GLU A 62 0.324 9.133 -1.853 1.00 0.00 C ATOM 562 CG GLU A 62 1.651 9.683 -1.358 1.00 0.00 C ATOM 563 CD GLU A 62 2.500 10.256 -2.474 1.00 0.00 C ATOM 564 OE1 GLU A 62 2.843 9.500 -3.408 1.00 0.00 O ATOM 565 OE2 GLU A 62 2.823 11.462 -2.416 1.00 0.00 O ATOM 0 H GLU A 62 0.885 7.108 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.659 9.362 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.515 8.331 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.208 9.918 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.464 10.458 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.205 8.889 -0.857 1.00 0.00 H new ATOM 572 N LEU A 63 -2.151 7.083 -1.765 1.00 0.00 N ATOM 573 CA LEU A 63 -3.424 6.653 -2.320 1.00 0.00 C ATOM 574 C LEU A 63 -4.501 6.567 -1.240 1.00 0.00 C ATOM 575 O LEU A 63 -5.599 7.098 -1.411 1.00 0.00 O ATOM 576 CB LEU A 63 -3.234 5.306 -3.026 1.00 0.00 C ATOM 577 CG LEU A 63 -4.489 4.659 -3.624 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.335 4.000 -2.546 1.00 0.00 C ATOM 579 CD2 LEU A 63 -5.311 5.682 -4.395 1.00 0.00 C ATOM 0 H LEU A 63 -1.423 6.369 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.764 7.392 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.506 5.441 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.797 4.607 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.163 3.885 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.218 3.550 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.750 3.228 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.644 4.749 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.196 5.200 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.616 6.484 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.710 6.096 -5.205 1.00 0.00 H new ATOM 591 N ILE A 64 -4.189 5.904 -0.128 1.00 0.00 N ATOM 592 CA ILE A 64 -5.152 5.772 0.960 1.00 0.00 C ATOM 593 C ILE A 64 -5.470 7.135 1.561 1.00 0.00 C ATOM 594 O ILE A 64 -6.614 7.417 1.908 1.00 0.00 O ATOM 595 CB ILE A 64 -4.658 4.819 2.069 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.694 4.717 3.188 1.00 0.00 C ATOM 597 CG2 ILE A 64 -3.320 5.276 2.623 1.00 0.00 C ATOM 598 CD1 ILE A 64 -7.023 4.145 2.741 1.00 0.00 C ATOM 0 H ILE A 64 -3.289 5.456 0.041 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.056 5.341 0.530 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.522 3.831 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.292 4.095 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.859 5.709 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.995 4.587 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.581 5.293 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.423 6.277 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.705 4.104 3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.449 4.779 1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.873 3.140 2.348 1.00 0.00 H new ATOM 610 N ASN A 65 -4.454 7.989 1.667 1.00 0.00 N ATOM 611 CA ASN A 65 -4.644 9.329 2.209 1.00 0.00 C ATOM 612 C ASN A 65 -5.672 10.096 1.380 1.00 0.00 C ATOM 613 O ASN A 65 -6.322 11.016 1.874 1.00 0.00 O ATOM 614 CB ASN A 65 -3.318 10.093 2.255 1.00 0.00 C ATOM 615 CG ASN A 65 -2.382 9.568 3.330 1.00 0.00 C ATOM 616 OD1 ASN A 65 -1.165 9.204 2.941 1.00 0.00 O flip ATOM 617 ND2 ASN A 65 -2.748 9.500 4.504 1.00 0.00 N flip ATOM 0 H ASN A 65 -3.497 7.777 1.386 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.017 9.234 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.827 10.022 1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.517 11.149 2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.691 9.790 4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.108 9.154 5.219 1.00 0.00 H new ATOM 624 N LYS A 66 -5.819 9.698 0.118 1.00 0.00 N ATOM 625 CA LYS A 66 -6.770 10.326 -0.780 1.00 0.00 C ATOM 626 C LYS A 66 -8.192 9.930 -0.406 1.00 0.00 C ATOM 627 O LYS A 66 -9.071 10.780 -0.257 1.00 0.00 O ATOM 628 CB LYS A 66 -6.477 9.895 -2.216 1.00 0.00 C ATOM 629 CG LYS A 66 -5.132 10.356 -2.739 1.00 0.00 C ATOM 630 CD LYS A 66 -5.094 11.859 -2.916 1.00 0.00 C ATOM 631 CE LYS A 66 -3.767 12.303 -3.490 1.00 0.00 C ATOM 632 NZ LYS A 66 -2.638 12.035 -2.557 1.00 0.00 N ATOM 0 H LYS A 66 -5.285 8.938 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.674 11.409 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.524 8.808 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.260 10.283 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.347 10.050 -2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.925 9.870 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.903 12.172 -3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.260 12.346 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.589 11.786 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.807 13.369 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.771 12.474 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.857 12.435 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.496 11.008 -2.469 1.00 0.00 H new ATOM 646 N LEU A 67 -8.404 8.627 -0.254 1.00 0.00 N ATOM 647 CA LEU A 67 -9.710 8.094 0.105 1.00 0.00 C ATOM 648 C LEU A 67 -10.045 8.432 1.553 1.00 0.00 C ATOM 649 O LEU A 67 -11.043 9.096 1.836 1.00 0.00 O ATOM 650 CB LEU A 67 -9.716 6.576 -0.089 1.00 0.00 C ATOM 651 CG LEU A 67 -9.203 6.099 -1.450 1.00 0.00 C ATOM 652 CD1 LEU A 67 -9.167 4.579 -1.503 1.00 0.00 C ATOM 653 CD2 LEU A 67 -10.066 6.653 -2.574 1.00 0.00 C ATOM 0 H LEU A 67 -7.681 7.917 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.464 8.546 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.107 6.122 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.734 6.211 0.048 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.188 6.473 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.800 4.258 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.504 4.203 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.171 4.186 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.684 6.302 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.093 6.312 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.040 7.742 -2.550 1.00 0.00 H new ATOM 665 N GLN A 68 -9.194 7.972 2.463 1.00 0.00 N ATOM 666 CA GLN A 68 -9.376 8.221 3.884 1.00 0.00 C ATOM 667 C GLN A 68 -8.871 9.614 4.254 1.00 0.00 C ATOM 668 O GLN A 68 -7.823 10.051 3.779 1.00 0.00 O ATOM 669 CB GLN A 68 -8.654 7.147 4.705 1.00 0.00 C ATOM 670 CG GLN A 68 -8.800 7.323 6.210 1.00 0.00 C ATOM 671 CD GLN A 68 -8.229 6.163 7.008 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.755 5.130 6.317 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -8.221 6.192 8.239 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.366 7.421 2.237 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.441 8.175 4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.040 6.167 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.595 7.158 4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.300 8.244 6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.856 7.439 6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.594 7.003 8.732 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.841 5.405 8.765 1.00 0.00 H new ATOM 682 N PRO A 69 -9.629 10.332 5.100 1.00 0.00 N ATOM 683 CA PRO A 69 -9.292 11.685 5.540 1.00 0.00 C ATOM 684 C PRO A 69 -7.800 11.899 5.768 1.00 0.00 C ATOM 685 O PRO A 69 -7.250 12.933 5.390 1.00 0.00 O ATOM 686 CB PRO A 69 -10.060 11.796 6.851 1.00 0.00 C ATOM 687 CG PRO A 69 -11.285 10.982 6.635 1.00 0.00 C ATOM 688 CD PRO A 69 -10.899 9.876 5.688 1.00 0.00 C ATOM 0 HA PRO A 69 -9.549 12.436 4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.474 11.416 7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -10.307 12.833 7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.653 10.576 7.577 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.087 11.590 6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.778 8.928 6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -11.660 9.723 4.923 1.00 0.00 H new ATOM 696 N GLY A 70 -7.151 10.922 6.384 1.00 0.00 N ATOM 697 CA GLY A 70 -5.728 11.037 6.645 1.00 0.00 C ATOM 698 C GLY A 70 -5.167 9.838 7.383 1.00 0.00 C ATOM 699 O GLY A 70 -5.172 9.799 8.614 1.00 0.00 O ATOM 0 H GLY A 70 -7.580 10.055 6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.198 11.156 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.542 11.938 7.230 1.00 0.00 H new ATOM 703 N SER A 71 -4.682 8.858 6.628 1.00 0.00 N ATOM 704 CA SER A 71 -4.112 7.650 7.213 1.00 0.00 C ATOM 705 C SER A 71 -2.665 7.874 7.640 1.00 0.00 C ATOM 706 O SER A 71 -2.385 8.153 8.807 1.00 0.00 O ATOM 707 CB SER A 71 -4.181 6.500 6.207 1.00 0.00 C ATOM 708 OG SER A 71 -5.515 6.263 5.797 1.00 0.00 O ATOM 0 H SER A 71 -4.672 8.877 5.608 1.00 0.00 H new ATOM 0 HA SER A 71 -4.695 7.396 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.566 6.735 5.338 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.768 5.596 6.654 1.00 0.00 H new ATOM 0 HG SER A 71 -5.894 5.529 6.324 1.00 0.00 H new ATOM 714 N VAL A 72 -1.750 7.745 6.685 1.00 0.00 N ATOM 715 CA VAL A 72 -0.326 7.925 6.947 1.00 0.00 C ATOM 716 C VAL A 72 0.038 9.405 7.030 1.00 0.00 C ATOM 717 O VAL A 72 -0.444 10.217 6.242 1.00 0.00 O ATOM 718 CB VAL A 72 0.525 7.259 5.850 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.006 7.336 6.187 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.094 5.816 5.631 1.00 0.00 C ATOM 0 H VAL A 72 -1.971 7.515 5.716 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.114 7.451 7.906 1.00 0.00 H new ATOM 0 HB VAL A 72 0.363 7.806 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.584 6.858 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.305 8.380 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.191 6.824 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.710 5.367 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.216 5.255 6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.952 5.791 5.326 1.00 0.00 H new ATOM 730 N GLN A 73 0.893 9.748 7.990 1.00 0.00 N ATOM 731 CA GLN A 73 1.323 11.131 8.173 1.00 0.00 C ATOM 732 C GLN A 73 2.188 11.598 7.004 1.00 0.00 C ATOM 733 O GLN A 73 1.949 12.662 6.432 1.00 0.00 O ATOM 734 CB GLN A 73 2.096 11.276 9.485 1.00 0.00 C ATOM 735 CG GLN A 73 2.567 12.696 9.767 1.00 0.00 C ATOM 736 CD GLN A 73 1.419 13.676 9.918 1.00 0.00 C ATOM 737 OE1 GLN A 73 0.639 13.889 8.988 1.00 0.00 O ATOM 738 NE2 GLN A 73 1.310 14.281 11.094 1.00 0.00 N ATOM 0 H GLN A 73 1.301 9.088 8.652 1.00 0.00 H new ATOM 0 HA GLN A 73 0.432 11.758 8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.463 10.943 10.308 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.962 10.614 9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.166 12.701 10.678 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.217 13.026 8.957 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.978 14.075 11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.559 14.952 11.255 1.00 0.00 H new ATOM 747 N LYS A 74 3.190 10.796 6.655 1.00 0.00 N ATOM 748 CA LYS A 74 4.095 11.126 5.555 1.00 0.00 C ATOM 749 C LYS A 74 5.057 9.974 5.282 1.00 0.00 C ATOM 750 O LYS A 74 5.642 9.409 6.206 1.00 0.00 O ATOM 751 CB LYS A 74 4.883 12.399 5.876 1.00 0.00 C ATOM 752 CG LYS A 74 5.847 12.819 4.775 1.00 0.00 C ATOM 753 CD LYS A 74 5.121 13.126 3.473 1.00 0.00 C ATOM 754 CE LYS A 74 4.161 14.296 3.627 1.00 0.00 C ATOM 755 NZ LYS A 74 4.865 15.544 4.032 1.00 0.00 N ATOM 0 H LYS A 74 3.397 9.911 7.118 1.00 0.00 H new ATOM 0 HA LYS A 74 3.494 11.297 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.181 13.212 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.444 12.245 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.404 13.699 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.574 12.025 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.850 13.353 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.570 12.244 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.639 14.463 2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.404 14.049 4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.227 16.357 3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.153 15.472 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.708 15.676 3.437 1.00 0.00 H new ATOM 769 N VAL A 75 5.214 9.627 4.007 1.00 0.00 N ATOM 770 CA VAL A 75 6.101 8.537 3.615 1.00 0.00 C ATOM 771 C VAL A 75 7.569 8.946 3.689 1.00 0.00 C ATOM 772 O VAL A 75 7.959 10.006 3.197 1.00 0.00 O ATOM 773 CB VAL A 75 5.792 8.039 2.191 1.00 0.00 C ATOM 774 CG1 VAL A 75 4.404 7.430 2.130 1.00 0.00 C ATOM 775 CG2 VAL A 75 5.932 9.164 1.180 1.00 0.00 C ATOM 0 H VAL A 75 4.739 10.085 3.229 1.00 0.00 H new ATOM 0 HA VAL A 75 5.922 7.729 4.324 1.00 0.00 H new ATOM 0 HB VAL A 75 6.517 7.267 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.203 7.084 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.346 6.588 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.665 8.180 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.709 8.786 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.236 9.965 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.952 9.549 1.202 1.00 0.00 H new ATOM 785 N ASN A 76 8.380 8.086 4.297 1.00 0.00 N ATOM 786 CA ASN A 76 9.810 8.339 4.429 1.00 0.00 C ATOM 787 C ASN A 76 10.551 7.827 3.197 1.00 0.00 C ATOM 788 O ASN A 76 10.255 6.742 2.696 1.00 0.00 O ATOM 789 CB ASN A 76 10.356 7.654 5.681 1.00 0.00 C ATOM 790 CG ASN A 76 9.590 8.035 6.932 1.00 0.00 C ATOM 791 OD1 ASN A 76 8.981 7.045 7.573 1.00 0.00 O flip ATOM 792 ND2 ASN A 76 9.545 9.203 7.316 1.00 0.00 N flip ATOM 0 H ASN A 76 8.070 7.205 4.707 1.00 0.00 H new ATOM 0 HA ASN A 76 9.965 9.414 4.517 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.313 6.573 5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.406 7.918 5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.029 9.931 6.791 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.024 9.443 8.159 1.00 0.00 H new ATOM 799 N ASP A 77 11.514 8.604 2.714 1.00 0.00 N ATOM 800 CA ASP A 77 12.287 8.208 1.543 1.00 0.00 C ATOM 801 C ASP A 77 12.988 6.873 1.792 1.00 0.00 C ATOM 802 O ASP A 77 13.787 6.749 2.721 1.00 0.00 O ATOM 803 CB ASP A 77 13.319 9.283 1.196 1.00 0.00 C ATOM 804 CG ASP A 77 12.679 10.621 0.873 1.00 0.00 C ATOM 805 OD1 ASP A 77 11.433 10.709 0.912 1.00 0.00 O ATOM 806 OD2 ASP A 77 13.423 11.579 0.579 1.00 0.00 O ATOM 0 H ASP A 77 11.777 9.506 3.112 1.00 0.00 H new ATOM 0 HA ASP A 77 11.602 8.094 0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.007 9.405 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.911 8.952 0.343 1.00 0.00 H new ATOM 811 N PRO A 78 12.697 5.852 0.966 1.00 0.00 N ATOM 812 CA PRO A 78 13.303 4.522 1.109 1.00 0.00 C ATOM 813 C PRO A 78 14.796 4.527 0.801 1.00 0.00 C ATOM 814 O PRO A 78 15.224 5.043 -0.231 1.00 0.00 O ATOM 815 CB PRO A 78 12.545 3.676 0.081 1.00 0.00 C ATOM 816 CG PRO A 78 12.062 4.654 -0.931 1.00 0.00 C ATOM 817 CD PRO A 78 11.754 5.908 -0.167 1.00 0.00 C ATOM 0 HA PRO A 78 13.227 4.147 2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.195 2.927 -0.371 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.715 3.142 0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.820 4.836 -1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.176 4.281 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.908 6.799 -0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.718 5.929 0.172 1.00 0.00 H new ATOM 825 N VAL A 79 15.585 3.944 1.704 1.00 0.00 N ATOM 826 CA VAL A 79 17.033 3.877 1.530 1.00 0.00 C ATOM 827 C VAL A 79 17.611 2.635 2.203 1.00 0.00 C ATOM 828 O VAL A 79 18.253 1.810 1.554 1.00 0.00 O ATOM 829 CB VAL A 79 17.736 5.124 2.111 1.00 0.00 C ATOM 830 CG1 VAL A 79 19.245 5.011 1.953 1.00 0.00 C ATOM 831 CG2 VAL A 79 17.224 6.397 1.453 1.00 0.00 C ATOM 0 H VAL A 79 15.244 3.512 2.563 1.00 0.00 H new ATOM 0 HA VAL A 79 17.214 3.832 0.456 1.00 0.00 H new ATOM 0 HB VAL A 79 17.503 5.176 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.722 5.899 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.601 4.127 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.495 4.926 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.736 7.259 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 79 17.417 6.356 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 79 16.152 6.490 1.625 1.00 0.00 H new ATOM 841 N GLN A 80 17.379 2.508 3.507 1.00 0.00 N ATOM 842 CA GLN A 80 17.881 1.365 4.263 1.00 0.00 C ATOM 843 C GLN A 80 16.907 0.191 4.199 1.00 0.00 C ATOM 844 O GLN A 80 17.139 -0.781 3.479 1.00 0.00 O ATOM 845 CB GLN A 80 18.126 1.760 5.720 1.00 0.00 C ATOM 846 CG GLN A 80 19.137 2.881 5.884 1.00 0.00 C ATOM 847 CD GLN A 80 19.363 3.255 7.336 1.00 0.00 C ATOM 848 OE1 GLN A 80 19.788 2.428 8.143 1.00 0.00 O ATOM 849 NE2 GLN A 80 19.080 4.507 7.677 1.00 0.00 N ATOM 0 H GLN A 80 16.848 3.181 4.060 1.00 0.00 H new ATOM 0 HA GLN A 80 18.823 1.053 3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 80 17.181 2.066 6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 80 18.472 0.886 6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 80 20.085 2.578 5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 80 18.793 3.758 5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 80 18.730 5.160 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 80 19.213 4.816 8.640 1.00 0.00 H new ATOM 858 N ASN A 81 15.815 0.294 4.955 1.00 0.00 N ATOM 859 CA ASN A 81 14.798 -0.754 4.992 1.00 0.00 C ATOM 860 C ASN A 81 13.665 -0.377 5.941 1.00 0.00 C ATOM 861 O ASN A 81 12.489 -0.518 5.607 1.00 0.00 O ATOM 862 CB ASN A 81 15.413 -2.088 5.424 1.00 0.00 C ATOM 863 CG ASN A 81 16.061 -2.011 6.792 1.00 0.00 C ATOM 864 OD1 ASN A 81 16.987 -1.228 7.011 1.00 0.00 O ATOM 865 ND2 ASN A 81 15.579 -2.827 7.723 1.00 0.00 N ATOM 0 H ASN A 81 15.612 1.096 5.552 1.00 0.00 H new ATOM 0 HA ASN A 81 14.392 -0.861 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.639 -2.855 5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.157 -2.396 4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 81 15.977 -2.821 8.662 1.00 0.00 H new ATOM 0 HD22 ASN A 81 14.811 -3.460 7.499 1.00 0.00 H new ATOM 872 N TRP A 82 14.030 0.101 7.129 1.00 0.00 N ATOM 873 CA TRP A 82 13.047 0.497 8.132 1.00 0.00 C ATOM 874 C TRP A 82 12.072 1.533 7.578 1.00 0.00 C ATOM 875 O TRP A 82 10.888 1.520 7.911 1.00 0.00 O ATOM 876 CB TRP A 82 13.734 1.034 9.396 1.00 0.00 C ATOM 877 CG TRP A 82 14.684 2.179 9.165 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.297 2.532 7.994 1.00 0.00 C ATOM 879 CD2 TRP A 82 15.124 3.125 10.145 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.094 3.633 8.192 1.00 0.00 N ATOM 881 CE2 TRP A 82 16.003 4.017 9.503 1.00 0.00 C ATOM 882 CE3 TRP A 82 14.858 3.304 11.505 1.00 0.00 C ATOM 883 CZ2 TRP A 82 16.618 5.071 10.176 1.00 0.00 C ATOM 884 CZ3 TRP A 82 15.468 4.350 12.172 1.00 0.00 C ATOM 885 CH2 TRP A 82 16.339 5.222 11.507 1.00 0.00 C ATOM 0 H TRP A 82 15.000 0.223 7.419 1.00 0.00 H new ATOM 0 HA TRP A 82 12.479 -0.394 8.399 1.00 0.00 H new ATOM 0 HB2 TRP A 82 12.966 1.355 10.100 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.280 0.218 9.869 1.00 0.00 H new ATOM 0 HD1 TRP A 82 15.172 2.020 7.051 1.00 0.00 H new ATOM 0 HE1 TRP A 82 16.661 4.090 7.478 1.00 0.00 H new ATOM 0 HE3 TRP A 82 14.187 2.637 12.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 17.291 5.744 9.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 15.270 4.497 13.223 1.00 0.00 H new ATOM 0 HH2 TRP A 82 16.800 6.030 12.056 1.00 0.00 H new ATOM 896 N HIS A 83 12.572 2.425 6.728 1.00 0.00 N ATOM 897 CA HIS A 83 11.735 3.459 6.127 1.00 0.00 C ATOM 898 C HIS A 83 10.589 2.833 5.339 1.00 0.00 C ATOM 899 O HIS A 83 9.447 3.281 5.422 1.00 0.00 O ATOM 900 CB HIS A 83 12.573 4.356 5.213 1.00 0.00 C ATOM 901 CG HIS A 83 13.562 5.212 5.943 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.519 5.969 5.301 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.732 5.441 7.268 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.235 6.625 6.197 1.00 0.00 C ATOM 905 NE2 HIS A 83 14.777 6.322 7.397 1.00 0.00 N ATOM 0 H HIS A 83 13.550 2.453 6.440 1.00 0.00 H new ATOM 0 HA HIS A 83 11.314 4.067 6.928 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.107 3.731 4.497 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.905 4.998 4.639 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.653 6.015 4.291 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.153 5.011 8.072 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.055 7.295 5.984 1.00 0.00 H new ATOM 914 N LYS A 84 10.907 1.792 4.575 1.00 0.00 N ATOM 915 CA LYS A 84 9.906 1.097 3.772 1.00 0.00 C ATOM 916 C LYS A 84 8.872 0.420 4.665 1.00 0.00 C ATOM 917 O LYS A 84 7.669 0.615 4.499 1.00 0.00 O ATOM 918 CB LYS A 84 10.575 0.047 2.883 1.00 0.00 C ATOM 919 CG LYS A 84 11.660 0.607 1.978 1.00 0.00 C ATOM 920 CD LYS A 84 12.276 -0.484 1.115 1.00 0.00 C ATOM 921 CE LYS A 84 13.366 0.070 0.211 1.00 0.00 C ATOM 922 NZ LYS A 84 13.975 -0.990 -0.638 1.00 0.00 N ATOM 0 H LYS A 84 11.850 1.411 4.495 1.00 0.00 H new ATOM 0 HA LYS A 84 9.404 1.835 3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.008 -0.728 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.814 -0.432 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.239 1.384 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.435 1.076 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.692 -1.263 1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.500 -0.951 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.948 0.850 -0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.140 0.537 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.713 -0.572 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.396 -1.722 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.241 -1.418 -1.238 1.00 0.00 H new ATOM 936 N LEU A 85 9.357 -0.377 5.610 1.00 0.00 N ATOM 937 CA LEU A 85 8.497 -1.097 6.536 1.00 0.00 C ATOM 938 C LEU A 85 7.596 -0.146 7.315 1.00 0.00 C ATOM 939 O LEU A 85 6.481 -0.504 7.692 1.00 0.00 O ATOM 940 CB LEU A 85 9.354 -1.915 7.503 1.00 0.00 C ATOM 941 CG LEU A 85 10.254 -2.963 6.846 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.120 -3.651 7.892 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.420 -3.984 6.087 1.00 0.00 C ATOM 0 H LEU A 85 10.353 -0.541 5.754 1.00 0.00 H new ATOM 0 HA LEU A 85 7.857 -1.764 5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.979 -1.231 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.696 -2.417 8.212 1.00 0.00 H new ATOM 0 HG LEU A 85 10.908 -2.459 6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.754 -4.394 7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.745 -2.910 8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.482 -4.142 8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.078 -4.721 5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.741 -4.485 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.843 -3.479 5.313 1.00 0.00 H new ATOM 955 N GLU A 86 8.088 1.063 7.561 1.00 0.00 N ATOM 956 CA GLU A 86 7.328 2.059 8.305 1.00 0.00 C ATOM 957 C GLU A 86 6.089 2.491 7.529 1.00 0.00 C ATOM 958 O GLU A 86 4.975 2.438 8.050 1.00 0.00 O ATOM 959 CB GLU A 86 8.205 3.272 8.622 1.00 0.00 C ATOM 960 CG GLU A 86 7.491 4.351 9.415 1.00 0.00 C ATOM 961 CD GLU A 86 8.422 5.456 9.874 1.00 0.00 C ATOM 962 OE1 GLU A 86 9.636 5.364 9.596 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.938 6.411 10.517 1.00 0.00 O ATOM 0 H GLU A 86 9.009 1.376 7.256 1.00 0.00 H new ATOM 0 HA GLU A 86 7.003 1.606 9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.079 2.941 9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.568 3.700 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.698 4.781 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.013 3.900 10.285 1.00 0.00 H new ATOM 970 N ASN A 87 6.285 2.912 6.283 1.00 0.00 N ATOM 971 CA ASN A 87 5.179 3.344 5.448 1.00 0.00 C ATOM 972 C ASN A 87 4.195 2.204 5.228 1.00 0.00 C ATOM 973 O ASN A 87 2.982 2.416 5.199 1.00 0.00 O ATOM 974 CB ASN A 87 5.697 3.863 4.109 1.00 0.00 C ATOM 975 CG ASN A 87 6.712 4.977 4.280 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.472 5.941 5.003 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.847 4.855 3.602 1.00 0.00 N ATOM 0 H ASN A 87 7.199 2.962 5.834 1.00 0.00 H new ATOM 0 HA ASN A 87 4.658 4.154 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.151 3.042 3.554 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.859 4.225 3.513 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.562 5.579 3.670 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.004 4.037 3.013 1.00 0.00 H new ATOM 984 N ILE A 88 4.720 0.989 5.083 1.00 0.00 N ATOM 985 CA ILE A 88 3.873 -0.178 4.877 1.00 0.00 C ATOM 986 C ILE A 88 2.977 -0.409 6.088 1.00 0.00 C ATOM 987 O ILE A 88 1.767 -0.580 5.956 1.00 0.00 O ATOM 988 CB ILE A 88 4.698 -1.456 4.623 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.616 -1.279 3.413 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.769 -2.643 4.414 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.490 -2.485 3.137 1.00 0.00 C ATOM 0 H ILE A 88 5.720 0.790 5.104 1.00 0.00 H new ATOM 0 HA ILE A 88 3.268 0.027 3.994 1.00 0.00 H new ATOM 0 HB ILE A 88 5.322 -1.644 5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.008 -1.072 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.252 -0.408 3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.361 -3.541 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.154 -2.785 5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.126 -2.455 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.115 -2.290 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.124 -2.680 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.861 -3.354 2.945 1.00 0.00 H new ATOM 1003 N GLY A 89 3.587 -0.411 7.270 1.00 0.00 N ATOM 1004 CA GLY A 89 2.836 -0.621 8.493 1.00 0.00 C ATOM 1005 C GLY A 89 1.712 0.380 8.659 1.00 0.00 C ATOM 1006 O GLY A 89 0.587 0.009 8.985 1.00 0.00 O ATOM 0 H GLY A 89 4.589 -0.271 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.424 -1.630 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.510 -0.551 9.347 1.00 0.00 H new ATOM 1010 N ASN A 90 2.016 1.652 8.428 1.00 0.00 N ATOM 1011 CA ASN A 90 1.018 2.708 8.551 1.00 0.00 C ATOM 1012 C ASN A 90 -0.151 2.466 7.600 1.00 0.00 C ATOM 1013 O ASN A 90 -1.306 2.702 7.951 1.00 0.00 O ATOM 1014 CB ASN A 90 1.649 4.074 8.269 1.00 0.00 C ATOM 1015 CG ASN A 90 2.750 4.418 9.252 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.932 4.720 8.732 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 2.536 4.424 10.464 1.00 0.00 N flip ATOM 0 H ASN A 90 2.944 1.977 8.155 1.00 0.00 H new ATOM 0 HA ASN A 90 0.639 2.697 9.573 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.054 4.082 7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.877 4.843 8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.610 4.185 10.820 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.284 4.668 11.113 1.00 0.00 H new ATOM 1024 N PHE A 91 0.159 1.998 6.395 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.861 1.728 5.386 1.00 0.00 C ATOM 1026 C PHE A 91 -1.811 0.614 5.829 1.00 0.00 C ATOM 1027 O PHE A 91 -3.025 0.811 5.891 1.00 0.00 O ATOM 1028 CB PHE A 91 -0.195 1.348 4.060 1.00 0.00 C ATOM 1029 CG PHE A 91 -1.162 1.000 2.964 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -2.208 1.852 2.643 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -1.024 -0.181 2.254 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -3.096 1.532 1.633 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.910 -0.507 1.243 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.947 0.351 0.934 1.00 0.00 C ATOM 0 H PHE A 91 1.112 1.797 6.092 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.449 2.636 5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.429 2.178 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.467 0.499 4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.330 2.776 3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.215 -0.856 2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.905 2.205 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.791 -1.431 0.696 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.641 0.098 0.146 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.253 -0.556 6.123 1.00 0.00 N ATOM 1045 CA LEU A 92 -2.042 -1.705 6.542 1.00 0.00 C ATOM 1046 C LEU A 92 -2.814 -1.438 7.830 1.00 0.00 C ATOM 1047 O LEU A 92 -4.007 -1.719 7.909 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.132 -2.918 6.719 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.661 -3.568 5.418 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.142 -2.592 4.578 1.00 0.00 C ATOM 1051 CD2 LEU A 92 0.156 -4.812 5.715 1.00 0.00 C ATOM 0 H LEU A 92 -0.249 -0.732 6.078 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.776 -1.902 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.257 -2.616 7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.660 -3.666 7.311 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.542 -3.857 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.464 -3.082 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.477 -1.729 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.017 -2.263 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.484 -5.264 4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.027 -4.541 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.455 -5.526 6.267 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.137 -0.906 8.839 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.783 -0.619 10.117 1.00 0.00 C ATOM 1065 C ARG A 93 -3.924 0.370 9.942 1.00 0.00 C ATOM 1066 O ARG A 93 -4.982 0.236 10.560 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.767 -0.073 11.120 1.00 0.00 C ATOM 1068 CG ARG A 93 -0.644 -1.046 11.427 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.187 -2.402 11.826 1.00 0.00 C ATOM 1070 NE ARG A 93 -0.125 -3.382 12.032 1.00 0.00 N ATOM 1071 CZ ARG A 93 -0.345 -4.646 12.385 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -1.585 -5.081 12.569 1.00 0.00 N ATOM 1073 NH2 ARG A 93 0.675 -5.476 12.553 1.00 0.00 N ATOM 0 H ARG A 93 -1.147 -0.665 8.800 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.193 -1.553 10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.341 0.851 10.729 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.282 0.181 12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.002 -1.152 10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.025 -0.649 12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.770 -2.303 12.741 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.866 -2.762 11.053 1.00 0.00 H new ATOM 0 HE ARG A 93 0.840 -3.081 11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.373 -4.446 12.440 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.751 -6.050 12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.630 -5.146 12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.505 -6.445 12.824 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.698 1.364 9.099 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.699 2.391 8.835 1.00 0.00 C ATOM 1089 C ALA A 94 -5.951 1.805 8.194 1.00 0.00 C ATOM 1090 O ALA A 94 -7.067 2.115 8.605 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.117 3.482 7.949 1.00 0.00 C ATOM 0 H ALA A 94 -2.827 1.484 8.582 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.987 2.824 9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.876 4.241 7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.263 3.939 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.795 3.049 7.002 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.763 0.966 7.178 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.886 0.349 6.477 1.00 0.00 C ATOM 1099 C ILE A 95 -7.551 -0.736 7.322 1.00 0.00 C ATOM 1100 O ILE A 95 -8.775 -0.873 7.315 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.455 -0.243 5.119 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.404 -1.335 5.319 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.923 0.857 4.211 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.939 -1.978 4.031 1.00 0.00 C ATOM 0 H ILE A 95 -4.845 0.698 6.822 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.611 1.143 6.296 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.326 -0.693 4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.543 -0.908 5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.814 -2.106 5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.622 0.427 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.703 1.600 4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.063 1.333 4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.194 -2.742 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.789 -2.436 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.498 -1.220 3.384 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.743 -1.499 8.059 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.262 -2.558 8.916 1.00 0.00 C ATOM 1118 C LYS A 96 -8.294 -1.991 9.883 1.00 0.00 C ATOM 1119 O LYS A 96 -9.337 -2.598 10.127 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.120 -3.225 9.693 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.286 -4.193 8.862 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.165 -4.833 9.673 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.703 -5.774 10.738 1.00 0.00 C ATOM 1124 NZ LYS A 96 -5.428 -5.051 11.819 1.00 0.00 N ATOM 0 H LYS A 96 -5.728 -1.401 8.078 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.741 -3.310 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.466 -2.450 10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.539 -3.761 10.545 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.932 -4.973 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.859 -3.663 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.501 -5.382 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.568 -4.053 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.374 -6.497 10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.877 -6.338 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.319 -5.567 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.035 -4.094 11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.437 -4.987 11.577 1.00 0.00 H new ATOM 1138 N HIS A 97 -7.996 -0.812 10.414 1.00 0.00 N ATOM 1139 CA HIS A 97 -8.890 -0.133 11.342 1.00 0.00 C ATOM 1140 C HIS A 97 -9.931 0.669 10.574 1.00 0.00 C ATOM 1141 O HIS A 97 -11.078 0.797 11.002 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.094 0.794 12.261 1.00 0.00 C ATOM 1143 CG HIS A 97 -8.927 1.460 13.312 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -9.641 0.761 14.262 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.157 2.771 13.561 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.275 1.612 15.048 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -9.997 2.838 14.645 1.00 0.00 N ATOM 0 H HIS A 97 -7.135 -0.303 10.215 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.396 -0.883 11.950 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.304 0.220 12.746 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.607 1.559 11.657 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.755 3.608 13.010 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.913 1.350 15.879 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.349 3.696 15.070 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.509 1.210 9.435 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.385 2.011 8.586 1.00 0.00 C ATOM 1158 C TYR A 98 -11.695 1.283 8.309 1.00 0.00 C ATOM 1159 O TYR A 98 -12.772 1.877 8.382 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.686 2.343 7.264 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.545 3.128 6.296 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.130 4.332 6.669 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.768 2.662 5.006 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.913 5.048 5.784 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.550 3.373 4.116 1.00 0.00 C ATOM 1166 CZ TYR A 98 -12.120 4.565 4.510 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.899 5.275 3.625 1.00 0.00 O ATOM 0 H TYR A 98 -8.559 1.107 9.077 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.610 2.937 9.115 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.781 2.913 7.476 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.373 1.414 6.786 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.970 4.714 7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.323 1.729 4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.361 5.982 6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.714 2.997 3.117 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.942 4.797 2.771 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.601 -0.003 7.988 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.796 -0.778 7.707 1.00 0.00 C ATOM 1179 C GLY A 99 -12.496 -2.159 7.160 1.00 0.00 C ATOM 1180 O GLY A 99 -13.128 -3.137 7.558 1.00 0.00 O ATOM 0 H GLY A 99 -10.725 -0.520 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.381 -0.876 8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.413 -0.236 6.990 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.539 -2.242 6.238 1.00 0.00 N ATOM 1185 CA VAL A 100 -11.175 -3.520 5.634 1.00 0.00 C ATOM 1186 C VAL A 100 -10.820 -4.549 6.701 1.00 0.00 C ATOM 1187 O VAL A 100 -9.973 -4.303 7.559 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.988 -3.374 4.662 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.659 -4.715 4.017 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -10.294 -2.328 3.600 1.00 0.00 C ATOM 0 H VAL A 100 -11.005 -1.444 5.895 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.047 -3.861 5.075 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.117 -3.043 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.819 -4.594 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.396 -5.436 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.527 -5.076 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.445 -2.238 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.177 -2.629 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.479 -1.367 4.079 1.00 0.00 H new ATOM 1200 N LYS A 101 -11.476 -5.702 6.636 1.00 0.00 N ATOM 1201 CA LYS A 101 -11.233 -6.774 7.593 1.00 0.00 C ATOM 1202 C LYS A 101 -9.835 -7.358 7.408 1.00 0.00 C ATOM 1203 O LYS A 101 -9.392 -7.577 6.280 1.00 0.00 O ATOM 1204 CB LYS A 101 -12.284 -7.874 7.437 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.709 -7.391 7.662 1.00 0.00 C ATOM 1206 CD LYS A 101 -14.712 -8.519 7.493 1.00 0.00 C ATOM 1207 CE LYS A 101 -16.137 -8.035 7.713 1.00 0.00 C ATOM 1208 NZ LYS A 101 -16.518 -6.969 6.747 1.00 0.00 N ATOM 0 H LYS A 101 -12.180 -5.918 5.930 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.304 -6.356 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.207 -8.299 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.066 -8.676 8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.798 -6.971 8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.938 -6.590 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -14.621 -8.942 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.485 -9.318 8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -16.825 -8.875 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.238 -7.656 8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -17.549 -6.834 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -16.047 -6.079 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -16.225 -7.248 5.789 1.00 0.00 H new ATOM 1222 N PRO A 102 -9.121 -7.622 8.517 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.769 -8.184 8.467 1.00 0.00 C ATOM 1224 C PRO A 102 -7.704 -9.452 7.622 1.00 0.00 C ATOM 1225 O PRO A 102 -6.646 -9.804 7.098 1.00 0.00 O ATOM 1226 CB PRO A 102 -7.454 -8.496 9.931 1.00 0.00 C ATOM 1227 CG PRO A 102 -8.327 -7.577 10.713 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.574 -7.392 9.901 1.00 0.00 C ATOM 0 HA PRO A 102 -7.059 -7.497 8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.665 -9.539 10.167 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.401 -8.326 10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.558 -7.999 11.691 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.830 -6.622 10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.351 -8.099 10.192 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.990 -6.392 10.026 1.00 0.00 H new ATOM 1236 N HIS A 103 -8.840 -10.131 7.493 1.00 0.00 N ATOM 1237 CA HIS A 103 -8.919 -11.359 6.707 1.00 0.00 C ATOM 1238 C HIS A 103 -8.916 -11.051 5.210 1.00 0.00 C ATOM 1239 O HIS A 103 -9.646 -11.670 4.435 1.00 0.00 O ATOM 1240 CB HIS A 103 -10.178 -12.144 7.076 1.00 0.00 C ATOM 1241 CG HIS A 103 -10.232 -12.548 8.516 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -10.219 -11.640 9.554 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -10.301 -13.773 9.092 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -10.275 -12.287 10.704 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -10.327 -13.582 10.452 1.00 0.00 N ATOM 0 H HIS A 103 -9.721 -9.851 7.924 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.042 -11.964 6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.054 -11.539 6.844 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.234 -13.038 6.454 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.330 -14.722 8.578 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.278 -11.834 11.684 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.378 -14.321 11.153 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.090 -10.089 4.812 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.981 -9.686 3.419 1.00 0.00 C ATOM 1256 C ASP A 104 -6.656 -8.971 3.195 1.00 0.00 C ATOM 1257 O ASP A 104 -5.971 -9.191 2.196 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.131 -8.751 3.051 1.00 0.00 C ATOM 1259 CG ASP A 104 -9.249 -8.533 1.556 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -8.277 -8.036 0.949 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -10.314 -8.859 0.990 1.00 0.00 O ATOM 0 H ASP A 104 -7.481 -9.570 5.445 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.028 -10.575 2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -10.066 -9.165 3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.985 -7.790 3.544 1.00 0.00 H new ATOM 1266 N ILE A 105 -6.312 -8.111 4.144 1.00 0.00 N ATOM 1267 CA ILE A 105 -5.080 -7.341 4.088 1.00 0.00 C ATOM 1268 C ILE A 105 -3.870 -8.212 4.414 1.00 0.00 C ATOM 1269 O ILE A 105 -3.892 -8.984 5.373 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.135 -6.169 5.082 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.404 -5.348 4.850 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -3.895 -5.299 4.945 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.692 -4.355 5.951 1.00 0.00 C ATOM 0 H ILE A 105 -6.879 -7.929 4.972 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.978 -6.959 3.072 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.159 -6.565 6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.313 -4.813 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.252 -6.026 4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.949 -4.474 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.007 -5.897 5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.839 -4.902 3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.606 -3.809 5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.816 -4.885 6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.862 -3.654 6.035 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.813 -8.075 3.620 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.595 -8.845 3.841 1.00 0.00 C ATOM 1287 C PHE A 106 -0.835 -8.303 5.052 1.00 0.00 C ATOM 1288 O PHE A 106 -1.443 -7.807 6.000 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.721 -8.820 2.577 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.418 -7.438 2.053 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.360 -6.550 2.779 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -0.917 -7.031 0.827 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.634 -5.286 2.292 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.646 -5.769 0.334 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.130 -4.895 1.068 1.00 0.00 C ATOM 0 H PHE A 106 -2.775 -7.441 2.822 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.860 -9.881 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.219 -9.328 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.221 -9.390 1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.757 -6.850 3.738 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.526 -7.709 0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.242 -4.605 2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.041 -5.467 -0.625 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.342 -3.908 0.686 1.00 0.00 H new ATOM 1305 N GLU A 107 0.492 -8.388 5.017 1.00 0.00 N ATOM 1306 CA GLU A 107 1.314 -7.892 6.110 1.00 0.00 C ATOM 1307 C GLU A 107 2.596 -7.278 5.581 1.00 0.00 C ATOM 1308 O GLU A 107 3.092 -7.666 4.523 1.00 0.00 O ATOM 1309 CB GLU A 107 1.646 -9.006 7.099 1.00 0.00 C ATOM 1310 CG GLU A 107 0.430 -9.578 7.786 1.00 0.00 C ATOM 1311 CD GLU A 107 0.779 -10.627 8.823 1.00 0.00 C ATOM 1312 OE1 GLU A 107 1.504 -10.293 9.784 1.00 0.00 O ATOM 1313 OE2 GLU A 107 0.328 -11.782 8.675 1.00 0.00 O ATOM 0 H GLU A 107 1.018 -8.795 4.244 1.00 0.00 H new ATOM 0 HA GLU A 107 0.741 -7.125 6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.167 -9.806 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.332 -8.620 7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.124 -8.771 8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.230 -10.018 7.039 1.00 0.00 H new ATOM 1320 N ALA A 108 3.126 -6.318 6.325 1.00 0.00 N ATOM 1321 CA ALA A 108 4.354 -5.643 5.941 1.00 0.00 C ATOM 1322 C ALA A 108 5.441 -6.650 5.589 1.00 0.00 C ATOM 1323 O ALA A 108 6.387 -6.328 4.870 1.00 0.00 O ATOM 1324 CB ALA A 108 4.818 -4.722 7.059 1.00 0.00 C ATOM 0 H ALA A 108 2.722 -5.989 7.202 1.00 0.00 H new ATOM 0 HA ALA A 108 4.154 -5.042 5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.739 -4.222 6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.049 -3.976 7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.999 -5.307 7.961 1.00 0.00 H new ATOM 1330 N ASN A 109 5.301 -7.873 6.096 1.00 0.00 N ATOM 1331 CA ASN A 109 6.272 -8.920 5.830 1.00 0.00 C ATOM 1332 C ASN A 109 6.010 -9.585 4.483 1.00 0.00 C ATOM 1333 O ASN A 109 6.940 -9.907 3.750 1.00 0.00 O ATOM 1334 CB ASN A 109 6.225 -9.966 6.939 1.00 0.00 C ATOM 1335 CG ASN A 109 6.589 -9.408 8.301 1.00 0.00 C ATOM 1336 OD1 ASN A 109 6.857 -8.110 8.366 1.00 0.00 O flip ATOM 1337 ND2 ASN A 109 6.628 -10.140 9.290 1.00 0.00 N flip ATOM 0 H ASN A 109 4.524 -8.158 6.692 1.00 0.00 H new ATOM 0 HA ASN A 109 7.262 -8.464 5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.223 -10.394 6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.908 -10.779 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 109 6.415 -11.133 9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.873 -9.753 10.201 1.00 0.00 H new ATOM 1344 N ASP A 110 4.737 -9.800 4.171 1.00 0.00 N ATOM 1345 CA ASP A 110 4.354 -10.440 2.917 1.00 0.00 C ATOM 1346 C ASP A 110 4.899 -9.680 1.710 1.00 0.00 C ATOM 1347 O ASP A 110 5.490 -10.272 0.807 1.00 0.00 O ATOM 1348 CB ASP A 110 2.830 -10.540 2.821 1.00 0.00 C ATOM 1349 CG ASP A 110 2.231 -11.383 3.930 1.00 0.00 C ATOM 1350 OD1 ASP A 110 3.000 -11.892 4.772 1.00 0.00 O ATOM 1351 OD2 ASP A 110 0.992 -11.535 3.956 1.00 0.00 O ATOM 0 H ASP A 110 3.952 -9.541 4.769 1.00 0.00 H new ATOM 0 HA ASP A 110 4.786 -11.441 2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.401 -9.539 2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.558 -10.968 1.856 1.00 0.00 H new ATOM 1356 N LEU A 111 4.687 -8.369 1.696 1.00 0.00 N ATOM 1357 CA LEU A 111 5.147 -7.528 0.595 1.00 0.00 C ATOM 1358 C LEU A 111 6.666 -7.364 0.608 1.00 0.00 C ATOM 1359 O LEU A 111 7.322 -7.501 -0.424 1.00 0.00 O ATOM 1360 CB LEU A 111 4.476 -6.155 0.669 1.00 0.00 C ATOM 1361 CG LEU A 111 4.886 -5.167 -0.428 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.535 -5.717 -1.803 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.217 -3.819 -0.205 1.00 0.00 C ATOM 0 H LEU A 111 4.199 -7.864 2.436 1.00 0.00 H new ATOM 0 HA LEU A 111 4.871 -8.021 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.396 -6.294 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.701 -5.710 1.638 1.00 0.00 H new ATOM 0 HG LEU A 111 5.966 -5.029 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.834 -5.001 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.059 -6.659 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.460 -5.885 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.519 -3.128 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.134 -3.942 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.518 -3.419 0.763 1.00 0.00 H new ATOM 1375 N PHE A 112 7.215 -7.054 1.778 1.00 0.00 N ATOM 1376 CA PHE A 112 8.655 -6.852 1.922 1.00 0.00 C ATOM 1377 C PHE A 112 9.442 -8.113 1.560 1.00 0.00 C ATOM 1378 O PHE A 112 10.457 -8.039 0.868 1.00 0.00 O ATOM 1379 CB PHE A 112 8.989 -6.425 3.353 1.00 0.00 C ATOM 1380 CG PHE A 112 10.446 -6.119 3.569 1.00 0.00 C ATOM 1381 CD1 PHE A 112 11.098 -5.178 2.786 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.162 -6.772 4.561 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.436 -4.897 2.988 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.499 -6.494 4.766 1.00 0.00 C ATOM 1385 CZ PHE A 112 13.137 -5.555 3.978 1.00 0.00 C ATOM 0 H PHE A 112 6.685 -6.937 2.642 1.00 0.00 H new ATOM 0 HA PHE A 112 8.947 -6.063 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.400 -5.543 3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.688 -7.217 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.554 -4.659 2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.668 -7.506 5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.933 -4.163 2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.046 -7.010 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.183 -5.336 4.137 1.00 0.00 H new ATOM 1395 N GLU A 113 8.973 -9.266 2.031 1.00 0.00 N ATOM 1396 CA GLU A 113 9.640 -10.531 1.751 1.00 0.00 C ATOM 1397 C GLU A 113 9.348 -10.988 0.330 1.00 0.00 C ATOM 1398 O GLU A 113 10.036 -11.855 -0.209 1.00 0.00 O ATOM 1399 CB GLU A 113 9.199 -11.606 2.748 1.00 0.00 C ATOM 1400 CG GLU A 113 9.571 -11.293 4.183 1.00 0.00 C ATOM 1401 CD GLU A 113 9.121 -12.368 5.151 1.00 0.00 C ATOM 1402 OE1 GLU A 113 7.901 -12.623 5.231 1.00 0.00 O ATOM 1403 OE2 GLU A 113 9.988 -12.957 5.830 1.00 0.00 O ATOM 0 H GLU A 113 8.135 -9.349 2.607 1.00 0.00 H new ATOM 0 HA GLU A 113 10.714 -10.377 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.118 -11.730 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.648 -12.558 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.652 -11.173 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.125 -10.341 4.470 1.00 0.00 H new ATOM 1410 N ASN A 114 8.313 -10.402 -0.265 1.00 0.00 N ATOM 1411 CA ASN A 114 7.911 -10.745 -1.622 1.00 0.00 C ATOM 1412 C ASN A 114 7.432 -12.189 -1.686 1.00 0.00 C ATOM 1413 O ASN A 114 7.617 -12.874 -2.693 1.00 0.00 O ATOM 1414 CB ASN A 114 9.074 -10.536 -2.593 1.00 0.00 C ATOM 1415 CG ASN A 114 9.546 -9.098 -2.635 1.00 0.00 C ATOM 1416 OD1 ASN A 114 10.009 -8.557 -1.632 1.00 0.00 O ATOM 1417 ND2 ASN A 114 9.431 -8.470 -3.800 1.00 0.00 N ATOM 0 H ASN A 114 7.737 -9.685 0.175 1.00 0.00 H new ATOM 0 HA ASN A 114 7.090 -10.090 -1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.905 -11.179 -2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.767 -10.843 -3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.733 -7.500 -3.888 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.041 -8.958 -4.606 1.00 0.00 H new ATOM 1424 N THR A 115 6.818 -12.647 -0.601 1.00 0.00 N ATOM 1425 CA THR A 115 6.314 -14.015 -0.533 1.00 0.00 C ATOM 1426 C THR A 115 4.852 -14.104 -0.971 1.00 0.00 C ATOM 1427 O THR A 115 4.479 -14.996 -1.734 1.00 0.00 O ATOM 1428 CB THR A 115 6.466 -14.609 0.883 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.868 -15.910 0.935 1.00 0.00 O ATOM 1430 CG2 THR A 115 5.827 -13.712 1.934 1.00 0.00 C ATOM 0 H THR A 115 6.657 -12.094 0.241 1.00 0.00 H new ATOM 0 HA THR A 115 6.920 -14.600 -1.225 1.00 0.00 H new ATOM 0 HB THR A 115 7.531 -14.684 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.970 -16.281 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 115 5.952 -14.160 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.306 -12.733 1.917 1.00 0.00 H new ATOM 0 HG23 THR A 115 4.764 -13.600 1.719 1.00 0.00 H new ATOM 1438 N ASN A 116 4.026 -13.181 -0.483 1.00 0.00 N ATOM 1439 CA ASN A 116 2.604 -13.166 -0.823 1.00 0.00 C ATOM 1440 C ASN A 116 2.313 -12.238 -2.001 1.00 0.00 C ATOM 1441 O ASN A 116 1.506 -11.315 -1.883 1.00 0.00 O ATOM 1442 CB ASN A 116 1.768 -12.746 0.389 1.00 0.00 C ATOM 1443 CG ASN A 116 1.816 -13.765 1.511 1.00 0.00 C ATOM 1444 OD1 ASN A 116 2.879 -14.066 2.049 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.655 -14.303 1.868 1.00 0.00 N ATOM 0 H ASN A 116 4.316 -12.434 0.148 1.00 0.00 H new ATOM 0 HA ASN A 116 2.330 -14.179 -1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.128 -11.786 0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.733 -12.600 0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.622 -14.995 2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -0.204 -14.024 1.394 1.00 0.00 H new ATOM 1452 N HIS A 117 2.963 -12.484 -3.136 1.00 0.00 N ATOM 1453 CA HIS A 117 2.754 -11.663 -4.328 1.00 0.00 C ATOM 1454 C HIS A 117 1.274 -11.585 -4.693 1.00 0.00 C ATOM 1455 O HIS A 117 0.742 -10.502 -4.934 1.00 0.00 O ATOM 1456 CB HIS A 117 3.544 -12.223 -5.515 1.00 0.00 C ATOM 1457 CG HIS A 117 5.022 -12.006 -5.424 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.911 -12.504 -6.354 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.768 -11.326 -4.523 1.00 0.00 C ATOM 1460 CE1 HIS A 117 7.137 -12.140 -6.027 1.00 0.00 C ATOM 1461 NE2 HIS A 117 7.079 -11.423 -4.920 1.00 0.00 N ATOM 0 H HIS A 117 3.636 -13.241 -3.256 1.00 0.00 H new ATOM 0 HA HIS A 117 3.111 -10.659 -4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.349 -13.292 -5.595 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.176 -11.763 -6.432 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.660 -13.066 -7.167 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.400 -10.803 -3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 117 8.036 -12.387 -6.573 1.00 0.00 H new ATOM 1470 N THR A 118 0.618 -12.740 -4.734 1.00 0.00 N ATOM 1471 CA THR A 118 -0.799 -12.803 -5.073 1.00 0.00 C ATOM 1472 C THR A 118 -1.645 -12.046 -4.055 1.00 0.00 C ATOM 1473 O THR A 118 -2.555 -11.300 -4.419 1.00 0.00 O ATOM 1474 CB THR A 118 -1.292 -14.261 -5.153 1.00 0.00 C ATOM 1475 OG1 THR A 118 -0.529 -14.983 -6.127 1.00 0.00 O ATOM 1476 CG2 THR A 118 -2.768 -14.316 -5.518 1.00 0.00 C ATOM 0 H THR A 118 1.045 -13.645 -4.537 1.00 0.00 H new ATOM 0 HA THR A 118 -0.911 -12.334 -6.051 1.00 0.00 H new ATOM 0 HB THR A 118 -1.159 -14.719 -4.173 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.847 -15.909 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.092 -15.356 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.350 -13.791 -4.761 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.921 -13.841 -6.487 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.341 -12.246 -2.776 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.072 -11.589 -1.701 1.00 0.00 C ATOM 1486 C GLN A 119 -1.954 -10.070 -1.803 1.00 0.00 C ATOM 1487 O GLN A 119 -2.899 -9.344 -1.499 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.547 -12.065 -0.347 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.330 -11.523 0.835 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.782 -11.960 0.820 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.690 -10.995 0.726 1.00 0.00 O flip ATOM 1492 NE2 GLN A 119 -4.083 -13.151 0.886 1.00 0.00 N flip ATOM 0 H GLN A 119 -0.591 -12.860 -2.460 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.125 -11.854 -1.794 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.573 -13.154 -0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.503 -11.768 -0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.863 -11.859 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.282 -10.434 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -3.352 -13.859 0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.064 -13.431 0.869 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.784 -9.599 -2.227 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.536 -8.166 -2.366 1.00 0.00 C ATOM 1503 C VAL A 120 -1.598 -7.496 -3.233 1.00 0.00 C ATOM 1504 O VAL A 120 -2.154 -6.463 -2.859 1.00 0.00 O ATOM 1505 CB VAL A 120 0.860 -7.901 -2.967 1.00 0.00 C ATOM 1506 CG1 VAL A 120 1.037 -6.430 -3.316 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.950 -8.362 -2.011 1.00 0.00 C ATOM 0 H VAL A 120 0.008 -10.189 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.581 -7.737 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 120 0.944 -8.476 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 120 2.030 -6.273 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.282 -6.136 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.926 -5.826 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.927 -8.167 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.862 -7.819 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.843 -9.431 -1.825 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.879 -8.089 -4.388 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.878 -7.546 -5.302 1.00 0.00 C ATOM 1519 C GLN A 121 -4.282 -7.657 -4.713 1.00 0.00 C ATOM 1520 O GLN A 121 -5.090 -6.735 -4.832 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.818 -8.269 -6.648 1.00 0.00 C ATOM 1522 CG GLN A 121 -1.514 -8.048 -7.397 1.00 0.00 C ATOM 1523 CD GLN A 121 -1.447 -8.827 -8.695 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -1.293 -8.116 -9.805 1.00 0.00 O flip ATOM 1525 NE2 GLN A 121 -1.531 -10.056 -8.700 1.00 0.00 N flip ATOM 0 H GLN A 121 -1.430 -8.945 -4.714 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.653 -6.490 -5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -2.957 -9.338 -6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -3.647 -7.931 -7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -1.397 -6.985 -7.609 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -0.679 -8.339 -6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -1.649 -10.563 -7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -1.483 -10.567 -9.581 1.00 0.00 H new ATOM 1534 N SER A 122 -4.565 -8.792 -4.083 1.00 0.00 N ATOM 1535 CA SER A 122 -5.873 -9.033 -3.479 1.00 0.00 C ATOM 1536 C SER A 122 -6.217 -7.955 -2.454 1.00 0.00 C ATOM 1537 O SER A 122 -7.340 -7.451 -2.424 1.00 0.00 O ATOM 1538 CB SER A 122 -5.902 -10.409 -2.813 1.00 0.00 C ATOM 1539 OG SER A 122 -5.652 -11.437 -3.755 1.00 0.00 O ATOM 0 H SER A 122 -3.905 -9.562 -3.976 1.00 0.00 H new ATOM 0 HA SER A 122 -6.619 -9.000 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.155 -10.448 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.873 -10.569 -2.344 1.00 0.00 H new ATOM 0 HG SER A 122 -4.699 -11.446 -3.984 1.00 0.00 H new ATOM 1545 N THR A 123 -5.247 -7.608 -1.614 1.00 0.00 N ATOM 1546 CA THR A 123 -5.450 -6.594 -0.585 1.00 0.00 C ATOM 1547 C THR A 123 -5.839 -5.253 -1.201 1.00 0.00 C ATOM 1548 O THR A 123 -6.778 -4.602 -0.744 1.00 0.00 O ATOM 1549 CB THR A 123 -4.187 -6.404 0.274 1.00 0.00 C ATOM 1550 OG1 THR A 123 -3.854 -7.633 0.930 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.392 -5.310 1.312 1.00 0.00 C ATOM 0 H THR A 123 -4.312 -8.015 -1.626 1.00 0.00 H new ATOM 0 HA THR A 123 -6.262 -6.948 0.050 1.00 0.00 H new ATOM 0 HB THR A 123 -3.370 -6.107 -0.384 1.00 0.00 H new ATOM 0 HG1 THR A 123 -2.881 -7.697 1.030 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.485 -5.197 1.905 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.617 -4.369 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.221 -5.580 1.966 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.114 -4.849 -2.238 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.388 -3.588 -2.915 1.00 0.00 C ATOM 1561 C LEU A 124 -6.823 -3.552 -3.430 1.00 0.00 C ATOM 1562 O LEU A 124 -7.509 -2.538 -3.311 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.407 -3.380 -4.072 1.00 0.00 C ATOM 1564 CG LEU A 124 -2.945 -3.180 -3.658 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.052 -3.086 -4.885 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -2.800 -1.934 -2.797 1.00 0.00 C ATOM 0 H LEU A 124 -4.333 -5.376 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.260 -2.780 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.465 -4.242 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.727 -2.512 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.633 -4.043 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.018 -2.944 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.133 -4.005 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.365 -2.241 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.755 -1.808 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.130 -1.062 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.410 -2.039 -1.900 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.272 -4.667 -3.997 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.628 -4.765 -4.526 1.00 0.00 C ATOM 1580 C ILE A 125 -9.659 -4.452 -3.445 1.00 0.00 C ATOM 1581 O ILE A 125 -10.637 -3.747 -3.694 1.00 0.00 O ATOM 1582 CB ILE A 125 -8.907 -6.169 -5.100 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -7.912 -6.493 -6.218 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.338 -6.256 -5.613 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.080 -7.881 -6.799 1.00 0.00 C ATOM 0 H ILE A 125 -6.716 -5.516 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 125 -8.712 -4.032 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.782 -6.904 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.024 -5.759 -7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.898 -6.391 -5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.520 -7.253 -6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.031 -6.063 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.489 -5.515 -6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.341 -8.038 -7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -7.938 -8.624 -6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.082 -7.982 -7.217 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.432 -4.981 -2.246 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.338 -4.756 -1.126 1.00 0.00 C ATOM 1599 C ALA A 126 -10.466 -3.270 -0.813 1.00 0.00 C ATOM 1600 O ALA A 126 -11.561 -2.771 -0.555 1.00 0.00 O ATOM 1601 CB ALA A 126 -9.860 -5.518 0.102 1.00 0.00 C ATOM 0 H ALA A 126 -8.628 -5.569 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.323 -5.127 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.546 -5.341 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -9.829 -6.584 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.863 -5.175 0.377 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.336 -2.567 -0.837 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.318 -1.135 -0.556 1.00 0.00 C ATOM 1609 C LEU A 127 -10.190 -0.372 -1.549 1.00 0.00 C ATOM 1610 O LEU A 127 -10.945 0.523 -1.165 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.884 -0.601 -0.603 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.740 0.900 -0.334 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.319 1.259 1.026 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.279 1.320 -0.422 1.00 0.00 C ATOM 0 H LEU A 127 -8.421 -2.966 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.722 -0.983 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.286 -1.144 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.463 -0.820 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.300 1.441 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.207 2.329 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.376 0.996 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -7.789 0.709 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.196 2.389 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.697 0.771 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.897 1.101 -1.419 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.079 -0.728 -2.825 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.856 -0.075 -3.871 1.00 0.00 C ATOM 1628 C ALA A 128 -12.351 -0.212 -3.608 1.00 0.00 C ATOM 1629 O ALA A 128 -13.102 0.759 -3.712 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.504 -0.657 -5.232 1.00 0.00 C ATOM 0 H ALA A 128 -9.458 -1.465 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.607 0.986 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.092 -0.160 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.443 -0.504 -5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -10.725 -1.724 -5.239 1.00 0.00 H new ATOM 1636 N SER A 129 -12.776 -1.423 -3.262 1.00 0.00 N ATOM 1637 CA SER A 129 -14.182 -1.691 -2.979 1.00 0.00 C ATOM 1638 C SER A 129 -14.677 -0.825 -1.825 1.00 0.00 C ATOM 1639 O SER A 129 -15.814 -0.356 -1.831 1.00 0.00 O ATOM 1640 CB SER A 129 -14.384 -3.170 -2.646 1.00 0.00 C ATOM 1641 OG SER A 129 -13.983 -3.996 -3.725 1.00 0.00 O ATOM 0 H SER A 129 -12.166 -2.235 -3.171 1.00 0.00 H new ATOM 0 HA SER A 129 -14.761 -1.445 -3.869 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.811 -3.427 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 129 -15.433 -3.354 -2.414 1.00 0.00 H new ATOM 0 HG SER A 129 -13.007 -3.974 -3.809 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.813 -0.621 -0.836 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.151 0.180 0.324 1.00 0.00 C ATOM 1649 C GLN A 130 -14.411 1.630 -0.068 1.00 0.00 C ATOM 1650 O GLN A 130 -15.391 2.234 0.363 1.00 0.00 O ATOM 1651 CB GLN A 130 -13.013 0.113 1.333 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.321 0.809 2.636 1.00 0.00 C ATOM 1653 CD GLN A 130 -14.206 -0.026 3.542 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -15.293 -0.451 3.150 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -13.743 -0.264 4.764 1.00 0.00 N ATOM 0 H GLN A 130 -12.868 -1.005 -0.820 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.063 -0.219 0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.779 -0.932 1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.122 0.560 0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.389 1.037 3.153 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -13.811 1.760 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -12.836 0.108 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -14.294 -0.819 5.419 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.519 2.185 -0.881 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.637 3.570 -1.326 1.00 0.00 C ATOM 1666 C ALA A 131 -14.919 3.813 -2.119 1.00 0.00 C ATOM 1667 O ALA A 131 -15.576 4.839 -1.945 1.00 0.00 O ATOM 1668 CB ALA A 131 -12.422 3.957 -2.155 1.00 0.00 C ATOM 0 H ALA A 131 -12.703 1.695 -1.247 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.684 4.197 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.520 4.992 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.521 3.851 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.354 3.306 -3.026 1.00 0.00 H new ATOM 1674 N LYS A 132 -15.263 2.876 -3.000 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.464 3.007 -3.824 1.00 0.00 C ATOM 1676 C LYS A 132 -17.735 2.705 -3.028 1.00 0.00 C ATOM 1677 O LYS A 132 -18.632 2.014 -3.514 1.00 0.00 O ATOM 1678 CB LYS A 132 -16.378 2.085 -5.044 1.00 0.00 C ATOM 1679 CG LYS A 132 -16.194 0.617 -4.693 1.00 0.00 C ATOM 1680 CD LYS A 132 -16.205 -0.264 -5.934 1.00 0.00 C ATOM 1681 CE LYS A 132 -15.078 0.092 -6.891 1.00 0.00 C ATOM 1682 NZ LYS A 132 -13.739 -0.085 -6.264 1.00 0.00 N ATOM 0 H LYS A 132 -14.730 2.021 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 132 -16.518 4.043 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -17.286 2.196 -5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -15.547 2.406 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -15.252 0.485 -4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -16.988 0.302 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -16.114 -1.309 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -17.162 -0.160 -6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -15.147 -0.533 -7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -15.192 1.126 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -12.998 0.103 -6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -13.637 0.579 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -13.645 -1.060 -5.915 1.00 0.00 H new