USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=19 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= -0.218 F(o=-1.6,f=0.57) USER MOD Set 1.2: A 123 THR OG1 : rot 80:sc= 0.787 USER MOD Set 2.1: A 116 ASN : amide:sc= -2.34 K(o=-2.4,f=-14!) USER MOD Set 2.2: A 118 THR OG1 : rot 180:sc= -0.0472 USER MOD Set 3.1: A 74 LYS NZ :NH3+ 171:sc= -0.303 (180deg=-0.231) USER MOD Set 3.2: A 76 ASN :FLIP amide:sc= -0.475 F(o=-4!,f=-2.4) USER MOD Set 3.3: A 87 ASN :FLIP amide:sc= -1.66! C(o=-3.9!,f=-2.4!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot -90:sc= -1.96! USER MOD Single : A 49 ASN : amide:sc= -0.031 K(o=-0.031,f=-2.8!) USER MOD Single : A 51 MET CE :methyl -173:sc= -1.18 (180deg=-1.39) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot -130:sc= -5.29! USER MOD Single : A 65 ASN : amide:sc= -1.35 K(o=-1.3,f=-6.2!) USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 0.567 (180deg=0.563) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.53 F(o=-6.1!,f=-0.53) USER MOD Single : A 71 SER OG : rot 64:sc= -3.12! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.04 K(o=-1,f=-3.1!) USER MOD Single : A 81 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.68) USER MOD Single : A 83 HIS : no HE2:sc= -0.0142 K(o=-0.0014,f=-3.3!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0365 F(o=-0.62,f=-0.036) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0.0743 K(o=0.074,f=-2.4!) USER MOD Single : A 109 ASN : amide:sc= 0.0759 K(o=0.076,f=-4.4!) USER MOD Single : A 114 ASN : amide:sc= -2.47 X(o=-2.5,f=-2.8!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.52 K(o=-0.52,f=-1.6) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 74:sc= 0.3 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -5.58! C(o=-5.6!,f=-5.9!) USER MOD Single : A 132 LYS NZ :NH3+ 143:sc= -3.57! (180deg=-6.23!) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 33 -6.500 -2.353 -14.264 1.00 0.00 N ATOM 105 CA GLN A 33 -7.159 -1.296 -13.503 1.00 0.00 C ATOM 106 C GLN A 33 -6.352 -0.908 -12.268 1.00 0.00 C ATOM 107 O GLN A 33 -6.303 0.264 -11.896 1.00 0.00 O ATOM 108 CB GLN A 33 -8.566 -1.732 -13.091 1.00 0.00 C ATOM 109 CG GLN A 33 -9.481 -2.027 -14.267 1.00 0.00 C ATOM 110 CD GLN A 33 -10.894 -2.369 -13.836 1.00 0.00 C ATOM 111 OE1 GLN A 33 -11.113 -3.321 -13.087 1.00 0.00 O ATOM 112 NE2 GLN A 33 -11.861 -1.592 -14.308 1.00 0.00 N ATOM 0 HA GLN A 33 -7.229 -0.421 -14.149 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.493 -2.622 -12.466 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.015 -0.949 -12.480 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.507 -1.161 -14.929 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.070 -2.856 -14.843 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.634 -0.813 -14.926 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.832 -1.773 -14.052 1.00 0.00 H new ATOM 121 N LEU A 34 -5.729 -1.895 -11.632 1.00 0.00 N ATOM 122 CA LEU A 34 -4.934 -1.650 -10.432 1.00 0.00 C ATOM 123 C LEU A 34 -3.851 -0.604 -10.683 1.00 0.00 C ATOM 124 O LEU A 34 -3.658 0.307 -9.878 1.00 0.00 O ATOM 125 CB LEU A 34 -4.288 -2.950 -9.945 1.00 0.00 C ATOM 126 CG LEU A 34 -5.266 -4.056 -9.538 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.506 -5.298 -9.099 1.00 0.00 C ATOM 128 CD2 LEU A 34 -6.189 -3.577 -8.428 1.00 0.00 C ATOM 0 H LEU A 34 -5.759 -2.871 -11.926 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.608 -1.269 -9.665 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.641 -3.333 -10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.649 -2.721 -9.092 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.877 -4.310 -10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.214 -6.076 -8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.887 -5.656 -9.922 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.871 -5.054 -8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.875 -4.378 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.596 -3.294 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.758 -2.714 -8.775 1.00 0.00 H new ATOM 140 N ARG A 35 -3.140 -0.747 -11.797 1.00 0.00 N ATOM 141 CA ARG A 35 -2.067 0.181 -12.144 1.00 0.00 C ATOM 142 C ARG A 35 -2.601 1.592 -12.375 1.00 0.00 C ATOM 143 O ARG A 35 -2.102 2.554 -11.793 1.00 0.00 O ATOM 144 CB ARG A 35 -1.330 -0.308 -13.391 1.00 0.00 C ATOM 145 CG ARG A 35 -0.697 -1.680 -13.225 1.00 0.00 C ATOM 146 CD ARG A 35 0.022 -2.119 -14.490 1.00 0.00 C ATOM 147 NE ARG A 35 0.632 -3.438 -14.344 1.00 0.00 N ATOM 148 CZ ARG A 35 1.318 -4.044 -15.309 1.00 0.00 C ATOM 149 NH1 ARG A 35 1.480 -3.452 -16.484 1.00 0.00 N ATOM 150 NH2 ARG A 35 1.843 -5.243 -15.098 1.00 0.00 N ATOM 0 H ARG A 35 -3.286 -1.495 -12.475 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.373 0.216 -11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.029 -0.338 -14.227 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.554 0.412 -13.650 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.008 -1.658 -12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.467 -2.409 -12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.684 -2.136 -15.321 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.792 -1.389 -14.741 1.00 0.00 H new ATOM 0 HE ARG A 35 0.526 -3.921 -13.452 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.078 -2.529 -16.650 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.007 -3.919 -17.222 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.721 -5.701 -14.195 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.369 -5.707 -15.839 1.00 0.00 H new ATOM 164 N VAL A 36 -3.611 1.711 -13.229 1.00 0.00 N ATOM 165 CA VAL A 36 -4.204 3.008 -13.541 1.00 0.00 C ATOM 166 C VAL A 36 -4.773 3.678 -12.293 1.00 0.00 C ATOM 167 O VAL A 36 -4.676 4.894 -12.129 1.00 0.00 O ATOM 168 CB VAL A 36 -5.324 2.872 -14.594 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.952 4.226 -14.890 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.784 2.240 -15.867 1.00 0.00 C ATOM 0 H VAL A 36 -4.038 0.925 -13.719 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.404 3.629 -13.944 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.098 2.220 -14.189 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.739 4.107 -15.635 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.378 4.638 -13.975 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.190 4.905 -15.273 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.587 2.152 -16.598 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.989 2.865 -16.275 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.388 1.250 -15.642 1.00 0.00 H new ATOM 180 N TRP A 37 -5.376 2.876 -11.424 1.00 0.00 N ATOM 181 CA TRP A 37 -5.975 3.382 -10.192 1.00 0.00 C ATOM 182 C TRP A 37 -4.939 4.048 -9.283 1.00 0.00 C ATOM 183 O TRP A 37 -5.003 5.254 -9.040 1.00 0.00 O ATOM 184 CB TRP A 37 -6.691 2.232 -9.458 1.00 0.00 C ATOM 185 CG TRP A 37 -6.632 2.308 -7.958 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.804 3.414 -7.173 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.386 1.218 -7.061 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.649 3.082 -5.851 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.405 1.739 -5.755 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.146 -0.147 -7.238 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.193 0.943 -4.632 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -5.939 -0.936 -6.123 1.00 0.00 C ATOM 193 CH2 TRP A 37 -5.964 -0.389 -4.834 1.00 0.00 C ATOM 0 H TRP A 37 -5.464 1.868 -11.549 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.702 4.150 -10.457 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.736 2.218 -9.766 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.252 1.287 -9.777 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.029 4.404 -7.540 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.706 3.731 -5.066 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.123 -0.577 -8.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.209 1.363 -3.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.755 -1.993 -6.248 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.799 -1.033 -3.983 1.00 0.00 H new ATOM 204 N ILE A 38 -4.009 3.259 -8.761 1.00 0.00 N ATOM 205 CA ILE A 38 -2.989 3.775 -7.854 1.00 0.00 C ATOM 206 C ILE A 38 -2.105 4.824 -8.525 1.00 0.00 C ATOM 207 O ILE A 38 -1.908 5.912 -7.984 1.00 0.00 O ATOM 208 CB ILE A 38 -2.117 2.635 -7.301 1.00 0.00 C ATOM 209 CG1 ILE A 38 -2.972 1.664 -6.484 1.00 0.00 C ATOM 210 CG2 ILE A 38 -0.977 3.192 -6.459 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.220 0.435 -6.019 1.00 0.00 C ATOM 0 H ILE A 38 -3.939 2.259 -8.949 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.515 4.255 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.682 2.091 -8.139 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.369 2.187 -5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.826 1.351 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.372 2.370 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.356 3.845 -7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.386 3.760 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.890 -0.207 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.846 -0.112 -6.885 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.382 0.737 -5.391 1.00 0.00 H new ATOM 223 N GLU A 39 -1.579 4.500 -9.702 1.00 0.00 N ATOM 224 CA GLU A 39 -0.724 5.432 -10.431 1.00 0.00 C ATOM 225 C GLU A 39 -1.474 6.719 -10.757 1.00 0.00 C ATOM 226 O GLU A 39 -0.897 7.801 -10.756 1.00 0.00 O ATOM 227 CB GLU A 39 -0.195 4.796 -11.718 1.00 0.00 C ATOM 228 CG GLU A 39 0.882 3.748 -11.482 1.00 0.00 C ATOM 229 CD GLU A 39 1.350 3.091 -12.767 1.00 0.00 C ATOM 230 OE1 GLU A 39 0.830 3.453 -13.844 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.237 2.215 -12.696 1.00 0.00 O ATOM 0 H GLU A 39 -1.728 3.606 -10.169 1.00 0.00 H new ATOM 0 HA GLU A 39 0.122 5.675 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.025 4.337 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.206 5.579 -12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.733 4.213 -10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.498 2.984 -10.807 1.00 0.00 H new ATOM 238 N GLY A 40 -2.763 6.592 -11.040 1.00 0.00 N ATOM 239 CA GLY A 40 -3.569 7.754 -11.367 1.00 0.00 C ATOM 240 C GLY A 40 -3.674 8.741 -10.218 1.00 0.00 C ATOM 241 O GLY A 40 -3.616 9.954 -10.428 1.00 0.00 O ATOM 0 H GLY A 40 -3.266 5.705 -11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.139 8.257 -12.233 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.569 7.428 -11.652 1.00 0.00 H new ATOM 245 N ALA A 41 -3.844 8.225 -9.004 1.00 0.00 N ATOM 246 CA ALA A 41 -3.973 9.070 -7.820 1.00 0.00 C ATOM 247 C ALA A 41 -2.693 9.851 -7.528 1.00 0.00 C ATOM 248 O ALA A 41 -2.649 11.072 -7.681 1.00 0.00 O ATOM 249 CB ALA A 41 -4.354 8.223 -6.614 1.00 0.00 C ATOM 0 H ALA A 41 -3.896 7.224 -8.814 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.760 9.797 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.448 8.862 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.305 7.726 -6.804 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.582 7.474 -6.437 1.00 0.00 H new ATOM 255 N THR A 42 -1.659 9.138 -7.092 1.00 0.00 N ATOM 256 CA THR A 42 -0.379 9.759 -6.761 1.00 0.00 C ATOM 257 C THR A 42 0.352 10.253 -8.000 1.00 0.00 C ATOM 258 O THR A 42 0.984 11.309 -7.980 1.00 0.00 O ATOM 259 CB THR A 42 0.542 8.776 -6.012 1.00 0.00 C ATOM 260 OG1 THR A 42 0.756 7.606 -6.810 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.064 8.379 -4.675 1.00 0.00 C ATOM 0 H THR A 42 -1.682 8.127 -6.959 1.00 0.00 H new ATOM 0 HA THR A 42 -0.612 10.610 -6.121 1.00 0.00 H new ATOM 0 HB THR A 42 1.495 9.272 -5.828 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.067 6.940 -6.605 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.604 7.685 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.202 9.268 -4.060 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.028 7.899 -4.841 1.00 0.00 H new ATOM 269 N GLY A 43 0.292 9.468 -9.067 1.00 0.00 N ATOM 270 CA GLY A 43 0.990 9.828 -10.285 1.00 0.00 C ATOM 271 C GLY A 43 2.361 9.191 -10.313 1.00 0.00 C ATOM 272 O GLY A 43 2.971 9.034 -11.371 1.00 0.00 O ATOM 0 H GLY A 43 -0.226 8.591 -9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.414 9.504 -11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.084 10.912 -10.351 1.00 0.00 H new ATOM 276 N ARG A 44 2.833 8.819 -9.127 1.00 0.00 N ATOM 277 CA ARG A 44 4.132 8.183 -8.969 1.00 0.00 C ATOM 278 C ARG A 44 4.121 6.790 -9.581 1.00 0.00 C ATOM 279 O ARG A 44 3.260 5.970 -9.262 1.00 0.00 O ATOM 280 CB ARG A 44 4.499 8.076 -7.482 1.00 0.00 C ATOM 281 CG ARG A 44 4.716 9.408 -6.780 1.00 0.00 C ATOM 282 CD ARG A 44 3.513 10.316 -6.910 1.00 0.00 C ATOM 283 NE ARG A 44 3.751 11.640 -6.339 1.00 0.00 N ATOM 284 CZ ARG A 44 4.001 11.856 -5.049 1.00 0.00 C ATOM 285 NH1 ARG A 44 4.030 10.842 -4.194 1.00 0.00 N ATOM 286 NH2 ARG A 44 4.217 13.090 -4.613 1.00 0.00 N ATOM 0 H ARG A 44 2.326 8.950 -8.252 1.00 0.00 H new ATOM 0 HA ARG A 44 4.872 8.797 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.707 7.534 -6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.407 7.480 -7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.926 9.232 -5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.591 9.902 -7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.251 10.419 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.659 9.857 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 44 3.724 12.445 -6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.860 9.892 -4.524 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.222 11.013 -3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.192 13.873 -5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.408 13.256 -3.625 1.00 0.00 H new ATOM 300 N ARG A 45 5.086 6.516 -10.449 1.00 0.00 N ATOM 301 CA ARG A 45 5.182 5.210 -11.082 1.00 0.00 C ATOM 302 C ARG A 45 5.798 4.206 -10.116 1.00 0.00 C ATOM 303 O ARG A 45 6.841 4.470 -9.517 1.00 0.00 O ATOM 304 CB ARG A 45 6.021 5.296 -12.359 1.00 0.00 C ATOM 305 CG ARG A 45 5.449 6.243 -13.403 1.00 0.00 C ATOM 306 CD ARG A 45 4.075 5.795 -13.875 1.00 0.00 C ATOM 307 NE ARG A 45 3.514 6.700 -14.876 1.00 0.00 N ATOM 308 CZ ARG A 45 4.056 6.909 -16.073 1.00 0.00 C ATOM 309 NH1 ARG A 45 5.163 6.269 -16.428 1.00 0.00 N ATOM 310 NH2 ARG A 45 3.487 7.757 -16.920 1.00 0.00 N ATOM 0 H ARG A 45 5.810 7.178 -10.729 1.00 0.00 H new ATOM 0 HA ARG A 45 4.179 4.876 -11.348 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.029 5.621 -12.100 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.109 4.300 -12.794 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.381 7.247 -12.985 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.127 6.298 -14.255 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.146 4.791 -14.294 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.400 5.737 -13.021 1.00 0.00 H new ATOM 0 HE ARG A 45 2.656 7.201 -14.643 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.602 5.613 -15.782 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.574 6.433 -17.347 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.634 8.249 -16.654 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.903 7.917 -17.838 1.00 0.00 H new ATOM 324 N ILE A 46 5.150 3.056 -9.964 1.00 0.00 N ATOM 325 CA ILE A 46 5.641 2.020 -9.064 1.00 0.00 C ATOM 326 C ILE A 46 7.081 1.647 -9.406 1.00 0.00 C ATOM 327 O ILE A 46 7.917 1.476 -8.517 1.00 0.00 O ATOM 328 CB ILE A 46 4.756 0.758 -9.123 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.320 1.102 -8.716 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.324 -0.331 -8.224 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.366 -0.069 -8.798 1.00 0.00 C ATOM 0 H ILE A 46 4.286 2.819 -10.451 1.00 0.00 H new ATOM 0 HA ILE A 46 5.603 2.424 -8.052 1.00 0.00 H new ATOM 0 HB ILE A 46 4.745 0.384 -10.147 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.323 1.485 -7.696 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.953 1.904 -9.357 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.688 -1.215 -8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.330 -0.588 -8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.361 0.029 -7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.369 0.252 -8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.332 -0.440 -9.823 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.708 -0.864 -8.136 1.00 0.00 H new ATOM 343 N GLY A 47 7.366 1.537 -10.700 1.00 0.00 N ATOM 344 CA GLY A 47 8.708 1.203 -11.145 1.00 0.00 C ATOM 345 C GLY A 47 9.104 -0.228 -10.836 1.00 0.00 C ATOM 346 O GLY A 47 8.779 -0.759 -9.774 1.00 0.00 O ATOM 0 H GLY A 47 6.689 1.674 -11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.778 1.368 -12.220 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.419 1.880 -10.671 1.00 0.00 H new ATOM 350 N ASP A 48 9.818 -0.848 -11.774 1.00 0.00 N ATOM 351 CA ASP A 48 10.283 -2.224 -11.620 1.00 0.00 C ATOM 352 C ASP A 48 9.113 -3.192 -11.450 1.00 0.00 C ATOM 353 O ASP A 48 8.051 -3.009 -12.047 1.00 0.00 O ATOM 354 CB ASP A 48 11.235 -2.329 -10.424 1.00 0.00 C ATOM 355 CG ASP A 48 12.466 -1.456 -10.582 1.00 0.00 C ATOM 356 OD1 ASP A 48 12.582 -0.774 -11.622 1.00 0.00 O ATOM 357 OD2 ASP A 48 13.314 -1.456 -9.666 1.00 0.00 O ATOM 0 H ASP A 48 10.089 -0.414 -12.656 1.00 0.00 H new ATOM 0 HA ASP A 48 10.818 -2.501 -12.528 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.705 -2.043 -9.516 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.543 -3.367 -10.299 1.00 0.00 H new ATOM 362 N ASN A 49 9.318 -4.228 -10.639 1.00 0.00 N ATOM 363 CA ASN A 49 8.288 -5.231 -10.395 1.00 0.00 C ATOM 364 C ASN A 49 7.051 -4.608 -9.756 1.00 0.00 C ATOM 365 O ASN A 49 7.154 -3.720 -8.911 1.00 0.00 O ATOM 366 CB ASN A 49 8.833 -6.344 -9.500 1.00 0.00 C ATOM 367 CG ASN A 49 10.022 -7.053 -10.116 1.00 0.00 C ATOM 368 OD1 ASN A 49 11.050 -6.437 -10.398 1.00 0.00 O ATOM 369 ND2 ASN A 49 9.889 -8.358 -10.330 1.00 0.00 N ATOM 0 H ASN A 49 10.192 -4.393 -10.139 1.00 0.00 H new ATOM 0 HA ASN A 49 7.999 -5.654 -11.357 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.124 -5.923 -8.538 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.043 -7.069 -9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.657 -8.888 -10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.019 -8.830 -10.081 1.00 0.00 H new ATOM 376 N PHE A 50 5.882 -5.084 -10.171 1.00 0.00 N ATOM 377 CA PHE A 50 4.617 -4.583 -9.647 1.00 0.00 C ATOM 378 C PHE A 50 4.477 -4.894 -8.159 1.00 0.00 C ATOM 379 O PHE A 50 4.117 -4.026 -7.364 1.00 0.00 O ATOM 380 CB PHE A 50 3.452 -5.203 -10.423 1.00 0.00 C ATOM 381 CG PHE A 50 2.097 -4.724 -9.983 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.819 -3.368 -9.898 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.100 -5.629 -9.659 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.571 -2.927 -9.499 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.149 -5.194 -9.260 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.413 -3.840 -9.179 1.00 0.00 C ATOM 0 H PHE A 50 5.785 -5.819 -10.871 1.00 0.00 H new ATOM 0 HA PHE A 50 4.600 -3.500 -9.770 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.577 -4.982 -11.483 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.495 -6.287 -10.316 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.586 -2.649 -10.146 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.302 -6.688 -9.719 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.366 -1.868 -9.438 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.918 -5.911 -9.012 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.388 -3.497 -8.866 1.00 0.00 H new ATOM 396 N MET A 51 4.756 -6.141 -7.792 1.00 0.00 N ATOM 397 CA MET A 51 4.655 -6.577 -6.400 1.00 0.00 C ATOM 398 C MET A 51 5.762 -5.962 -5.552 1.00 0.00 C ATOM 399 O MET A 51 5.502 -5.371 -4.504 1.00 0.00 O ATOM 400 CB MET A 51 4.744 -8.101 -6.323 1.00 0.00 C ATOM 401 CG MET A 51 3.932 -8.808 -7.394 1.00 0.00 C ATOM 402 SD MET A 51 2.179 -8.399 -7.328 1.00 0.00 S ATOM 403 CE MET A 51 1.756 -9.012 -5.701 1.00 0.00 C ATOM 0 H MET A 51 5.055 -6.870 -8.440 1.00 0.00 H new ATOM 0 HA MET A 51 3.693 -6.244 -6.011 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.788 -8.401 -6.412 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.400 -8.428 -5.342 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.325 -8.543 -8.375 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.053 -9.886 -7.283 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.678 -8.947 -5.557 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.072 -10.051 -5.610 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.260 -8.412 -4.944 1.00 0.00 H new ATOM 413 N ASP A 52 6.998 -6.118 -6.012 1.00 0.00 N ATOM 414 CA ASP A 52 8.158 -5.596 -5.305 1.00 0.00 C ATOM 415 C ASP A 52 8.070 -4.083 -5.123 1.00 0.00 C ATOM 416 O ASP A 52 8.419 -3.555 -4.071 1.00 0.00 O ATOM 417 CB ASP A 52 9.430 -5.957 -6.068 1.00 0.00 C ATOM 418 CG ASP A 52 9.609 -7.454 -6.225 1.00 0.00 C ATOM 419 OD1 ASP A 52 8.730 -8.097 -6.837 1.00 0.00 O ATOM 420 OD2 ASP A 52 10.629 -7.984 -5.736 1.00 0.00 O ATOM 0 H ASP A 52 7.222 -6.606 -6.879 1.00 0.00 H new ATOM 0 HA ASP A 52 8.183 -6.049 -4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.402 -5.493 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.293 -5.544 -5.545 1.00 0.00 H new ATOM 425 N GLY A 53 7.611 -3.390 -6.154 1.00 0.00 N ATOM 426 CA GLY A 53 7.498 -1.946 -6.078 1.00 0.00 C ATOM 427 C GLY A 53 6.630 -1.487 -4.920 1.00 0.00 C ATOM 428 O GLY A 53 6.944 -0.505 -4.253 1.00 0.00 O ATOM 0 H GLY A 53 7.315 -3.799 -7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.493 -1.513 -5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.081 -1.569 -7.012 1.00 0.00 H new ATOM 432 N LEU A 54 5.533 -2.198 -4.689 1.00 0.00 N ATOM 433 CA LEU A 54 4.605 -1.862 -3.612 1.00 0.00 C ATOM 434 C LEU A 54 5.303 -1.788 -2.254 1.00 0.00 C ATOM 435 O LEU A 54 4.850 -1.074 -1.359 1.00 0.00 O ATOM 436 CB LEU A 54 3.469 -2.886 -3.556 1.00 0.00 C ATOM 437 CG LEU A 54 2.602 -2.968 -4.817 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.554 -4.059 -4.672 1.00 0.00 C ATOM 439 CD2 LEU A 54 1.940 -1.628 -5.101 1.00 0.00 C ATOM 0 H LEU A 54 5.262 -3.015 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 54 4.199 -0.874 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.897 -3.870 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.827 -2.647 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 54 3.246 -3.217 -5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.947 -4.103 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.047 -5.019 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.915 -3.838 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.329 -1.707 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.309 -1.348 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.707 -0.868 -5.249 1.00 0.00 H new ATOM 451 N LYS A 55 6.390 -2.541 -2.095 1.00 0.00 N ATOM 452 CA LYS A 55 7.128 -2.568 -0.833 1.00 0.00 C ATOM 453 C LYS A 55 7.425 -1.165 -0.303 1.00 0.00 C ATOM 454 O LYS A 55 7.356 -0.932 0.904 1.00 0.00 O ATOM 455 CB LYS A 55 8.430 -3.347 -1.002 1.00 0.00 C ATOM 456 CG LYS A 55 8.214 -4.774 -1.477 1.00 0.00 C ATOM 457 CD LYS A 55 9.523 -5.537 -1.583 1.00 0.00 C ATOM 458 CE LYS A 55 10.503 -4.857 -2.528 1.00 0.00 C ATOM 459 NZ LYS A 55 11.780 -5.615 -2.644 1.00 0.00 N ATOM 0 H LYS A 55 6.779 -3.140 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 55 6.494 -3.066 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.068 -2.826 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.962 -3.364 -0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.547 -5.290 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.720 -4.763 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.973 -5.624 -0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.325 -6.550 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.048 -4.759 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.711 -3.848 -2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.420 -5.119 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.227 -5.687 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.585 -6.569 -3.009 1.00 0.00 H new ATOM 473 N ASP A 56 7.765 -0.233 -1.193 1.00 0.00 N ATOM 474 CA ASP A 56 8.073 1.132 -0.768 1.00 0.00 C ATOM 475 C ASP A 56 6.925 1.709 0.055 1.00 0.00 C ATOM 476 O ASP A 56 7.148 2.412 1.041 1.00 0.00 O ATOM 477 CB ASP A 56 8.382 2.035 -1.972 1.00 0.00 C ATOM 478 CG ASP A 56 7.189 2.257 -2.885 1.00 0.00 C ATOM 479 OD1 ASP A 56 6.162 2.786 -2.410 1.00 0.00 O ATOM 480 OD2 ASP A 56 7.290 1.921 -4.082 1.00 0.00 O ATOM 0 H ASP A 56 7.834 -0.394 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 56 8.965 1.094 -0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.737 3.000 -1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.194 1.592 -2.549 1.00 0.00 H new ATOM 485 N GLY A 57 5.698 1.394 -0.351 1.00 0.00 N ATOM 486 CA GLY A 57 4.527 1.872 0.362 1.00 0.00 C ATOM 487 C GLY A 57 4.209 3.331 0.085 1.00 0.00 C ATOM 488 O GLY A 57 3.057 3.673 -0.150 1.00 0.00 O ATOM 0 H GLY A 57 5.494 0.814 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.668 1.261 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.682 1.738 1.433 1.00 0.00 H new ATOM 492 N VAL A 58 5.232 4.182 0.132 1.00 0.00 N ATOM 493 CA VAL A 58 5.082 5.620 -0.097 1.00 0.00 C ATOM 494 C VAL A 58 3.900 5.957 -0.999 1.00 0.00 C ATOM 495 O VAL A 58 3.037 6.745 -0.621 1.00 0.00 O ATOM 496 CB VAL A 58 6.354 6.212 -0.727 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.204 7.711 -0.938 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.566 5.908 0.140 1.00 0.00 C ATOM 0 H VAL A 58 6.190 3.895 0.330 1.00 0.00 H new ATOM 0 HA VAL A 58 4.903 6.058 0.885 1.00 0.00 H new ATOM 0 HB VAL A 58 6.503 5.748 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.115 8.109 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.361 7.902 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.028 8.198 0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.458 6.334 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.424 6.344 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.685 4.829 0.233 1.00 0.00 H new ATOM 508 N ILE A 59 3.866 5.372 -2.193 1.00 0.00 N ATOM 509 CA ILE A 59 2.780 5.644 -3.127 1.00 0.00 C ATOM 510 C ILE A 59 1.433 5.250 -2.532 1.00 0.00 C ATOM 511 O ILE A 59 0.492 6.043 -2.535 1.00 0.00 O ATOM 512 CB ILE A 59 2.976 4.916 -4.473 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.253 5.408 -5.162 1.00 0.00 C ATOM 514 CG2 ILE A 59 1.762 5.123 -5.369 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.414 4.917 -6.586 1.00 0.00 C ATOM 0 H ILE A 59 4.568 4.715 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 59 2.794 6.718 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 59 3.080 3.848 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.257 6.498 -5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.115 5.086 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.915 4.604 -6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.874 4.726 -4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.626 6.188 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.342 5.309 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.444 3.827 -6.594 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.572 5.261 -7.187 1.00 0.00 H new ATOM 527 N LEU A 60 1.348 4.030 -2.012 1.00 0.00 N ATOM 528 CA LEU A 60 0.114 3.551 -1.402 1.00 0.00 C ATOM 529 C LEU A 60 -0.258 4.432 -0.217 1.00 0.00 C ATOM 530 O LEU A 60 -1.414 4.822 -0.059 1.00 0.00 O ATOM 531 CB LEU A 60 0.260 2.095 -0.967 1.00 0.00 C ATOM 532 CG LEU A 60 0.503 1.105 -2.109 1.00 0.00 C ATOM 533 CD1 LEU A 60 0.599 -0.315 -1.573 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.603 1.215 -3.151 1.00 0.00 C ATOM 0 H LEU A 60 2.115 3.358 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.686 3.604 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.087 2.023 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.643 1.798 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 60 1.451 1.353 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.772 -1.005 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.426 -0.382 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.331 -0.578 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.416 0.505 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.564 0.992 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.622 2.227 -3.556 1.00 0.00 H new ATOM 546 N CYS A 61 0.739 4.763 0.597 1.00 0.00 N ATOM 547 CA CYS A 61 0.537 5.625 1.748 1.00 0.00 C ATOM 548 C CYS A 61 -0.040 6.956 1.287 1.00 0.00 C ATOM 549 O CYS A 61 -0.942 7.511 1.911 1.00 0.00 O ATOM 550 CB CYS A 61 1.865 5.832 2.486 1.00 0.00 C ATOM 551 SG CYS A 61 2.398 4.399 3.446 1.00 0.00 S ATOM 0 H CYS A 61 1.700 4.443 0.476 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.166 5.158 2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.639 6.079 1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.769 6.689 3.153 1.00 0.00 H new ATOM 0 HG CYS A 61 2.705 4.775 4.652 1.00 0.00 H new ATOM 557 N GLU A 62 0.480 7.443 0.168 1.00 0.00 N ATOM 558 CA GLU A 62 0.030 8.684 -0.426 1.00 0.00 C ATOM 559 C GLU A 62 -1.396 8.546 -0.956 1.00 0.00 C ATOM 560 O GLU A 62 -2.181 9.493 -0.915 1.00 0.00 O ATOM 561 CB GLU A 62 0.983 9.053 -1.556 1.00 0.00 C ATOM 562 CG GLU A 62 2.337 9.530 -1.066 1.00 0.00 C ATOM 563 CD GLU A 62 2.280 10.901 -0.416 1.00 0.00 C ATOM 564 OE1 GLU A 62 1.176 11.480 -0.342 1.00 0.00 O ATOM 565 OE2 GLU A 62 3.342 11.396 0.016 1.00 0.00 O ATOM 0 H GLU A 62 1.228 6.983 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 62 0.027 9.470 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.123 8.186 -2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.529 9.835 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.733 8.810 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.032 9.560 -1.905 1.00 0.00 H new ATOM 572 N LEU A 63 -1.714 7.355 -1.459 1.00 0.00 N ATOM 573 CA LEU A 63 -3.032 7.071 -2.010 1.00 0.00 C ATOM 574 C LEU A 63 -4.108 7.034 -0.927 1.00 0.00 C ATOM 575 O LEU A 63 -5.171 7.634 -1.079 1.00 0.00 O ATOM 576 CB LEU A 63 -2.999 5.737 -2.758 1.00 0.00 C ATOM 577 CG LEU A 63 -4.362 5.184 -3.161 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.106 6.171 -4.048 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.208 3.843 -3.862 1.00 0.00 C ATOM 0 H LEU A 63 -1.068 6.566 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.287 7.877 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.394 5.858 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.497 5.000 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.950 5.033 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.075 5.755 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.253 7.106 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.524 6.360 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.191 3.464 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.599 3.968 -4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.724 3.135 -3.190 1.00 0.00 H new ATOM 591 N ILE A 64 -3.839 6.315 0.159 1.00 0.00 N ATOM 592 CA ILE A 64 -4.803 6.198 1.248 1.00 0.00 C ATOM 593 C ILE A 64 -5.119 7.556 1.861 1.00 0.00 C ATOM 594 O ILE A 64 -6.269 7.841 2.182 1.00 0.00 O ATOM 595 CB ILE A 64 -4.316 5.230 2.345 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.353 5.119 3.460 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.973 5.675 2.902 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.674 4.536 3.004 1.00 0.00 C ATOM 0 H ILE A 64 -2.967 5.807 0.308 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.715 5.790 0.812 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.186 4.245 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.949 4.499 4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.528 6.109 3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.650 4.977 3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.235 5.696 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.070 6.672 3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.361 4.487 3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.101 5.168 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.512 3.533 2.610 1.00 0.00 H new ATOM 610 N ASN A 65 -4.104 8.403 2.013 1.00 0.00 N ATOM 611 CA ASN A 65 -4.310 9.733 2.578 1.00 0.00 C ATOM 612 C ASN A 65 -5.424 10.462 1.836 1.00 0.00 C ATOM 613 O ASN A 65 -6.091 11.334 2.395 1.00 0.00 O ATOM 614 CB ASN A 65 -3.021 10.557 2.531 1.00 0.00 C ATOM 615 CG ASN A 65 -2.013 10.117 3.573 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.309 10.101 4.767 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.813 9.767 3.130 1.00 0.00 N ATOM 0 H ASN A 65 -3.139 8.195 1.755 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.601 9.611 3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.575 10.472 1.540 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.261 11.609 2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.093 9.470 3.789 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.610 9.795 2.131 1.00 0.00 H new ATOM 624 N LYS A 66 -5.625 10.091 0.576 1.00 0.00 N ATOM 625 CA LYS A 66 -6.656 10.688 -0.247 1.00 0.00 C ATOM 626 C LYS A 66 -8.035 10.272 0.245 1.00 0.00 C ATOM 627 O LYS A 66 -8.903 11.111 0.488 1.00 0.00 O ATOM 628 CB LYS A 66 -6.464 10.242 -1.694 1.00 0.00 C ATOM 629 CG LYS A 66 -5.116 10.607 -2.279 1.00 0.00 C ATOM 630 CD LYS A 66 -4.962 12.107 -2.418 1.00 0.00 C ATOM 631 CE LYS A 66 -3.638 12.458 -3.062 1.00 0.00 C ATOM 632 NZ LYS A 66 -2.482 12.081 -2.203 1.00 0.00 N ATOM 0 H LYS A 66 -5.078 9.371 0.104 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.580 11.774 -0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.592 9.161 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.247 10.688 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.323 10.216 -1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.002 10.136 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.780 12.506 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.029 12.576 -1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.556 11.950 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.606 13.529 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.597 12.369 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.563 12.559 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.478 11.051 -2.059 1.00 0.00 H new ATOM 646 N LEU A 67 -8.223 8.965 0.388 1.00 0.00 N ATOM 647 CA LEU A 67 -9.490 8.415 0.852 1.00 0.00 C ATOM 648 C LEU A 67 -9.629 8.578 2.361 1.00 0.00 C ATOM 649 O LEU A 67 -10.568 9.211 2.845 1.00 0.00 O ATOM 650 CB LEU A 67 -9.581 6.935 0.479 1.00 0.00 C ATOM 651 CG LEU A 67 -9.340 6.625 -1.001 1.00 0.00 C ATOM 652 CD1 LEU A 67 -9.382 5.124 -1.243 1.00 0.00 C ATOM 653 CD2 LEU A 67 -10.364 7.337 -1.872 1.00 0.00 C ATOM 0 H LEU A 67 -7.510 8.264 0.188 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.301 8.961 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.855 6.381 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.569 6.566 0.756 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.349 6.990 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.209 4.921 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.608 4.638 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.359 4.736 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.175 7.104 -2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.366 7.005 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.285 8.413 -1.720 1.00 0.00 H new ATOM 665 N GLN A 68 -8.686 8.001 3.099 1.00 0.00 N ATOM 666 CA GLN A 68 -8.695 8.079 4.553 1.00 0.00 C ATOM 667 C GLN A 68 -7.911 9.296 5.043 1.00 0.00 C ATOM 668 O GLN A 68 -6.785 9.541 4.609 1.00 0.00 O ATOM 669 CB GLN A 68 -8.114 6.798 5.155 1.00 0.00 C ATOM 670 CG GLN A 68 -8.035 6.819 6.674 1.00 0.00 C ATOM 671 CD GLN A 68 -7.492 5.527 7.260 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.169 4.565 6.400 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -7.363 5.395 8.476 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.904 7.473 2.711 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.729 8.188 4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.725 5.951 4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.115 6.637 4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.401 7.648 6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.029 7.006 7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.622 6.157 9.102 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.997 4.523 8.858 1.00 0.00 H new ATOM 682 N PRO A 69 -8.505 10.076 5.961 1.00 0.00 N ATOM 683 CA PRO A 69 -7.875 11.272 6.523 1.00 0.00 C ATOM 684 C PRO A 69 -6.736 10.946 7.485 1.00 0.00 C ATOM 685 O PRO A 69 -6.873 10.084 8.354 1.00 0.00 O ATOM 686 CB PRO A 69 -9.018 11.948 7.270 1.00 0.00 C ATOM 687 CG PRO A 69 -9.938 10.847 7.634 1.00 0.00 C ATOM 688 CD PRO A 69 -9.843 9.847 6.522 1.00 0.00 C ATOM 0 HA PRO A 69 -7.419 11.889 5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.657 12.470 8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.516 12.689 6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.654 10.400 8.587 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.959 11.212 7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.954 8.827 6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.622 10.003 5.776 1.00 0.00 H new ATOM 696 N GLY A 70 -5.616 11.649 7.330 1.00 0.00 N ATOM 697 CA GLY A 70 -4.468 11.433 8.196 1.00 0.00 C ATOM 698 C GLY A 70 -4.062 9.975 8.283 1.00 0.00 C ATOM 699 O GLY A 70 -3.745 9.475 9.363 1.00 0.00 O ATOM 0 H GLY A 70 -5.483 12.367 6.618 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.626 12.018 7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.699 11.801 9.196 1.00 0.00 H new ATOM 703 N SER A 71 -4.074 9.292 7.144 1.00 0.00 N ATOM 704 CA SER A 71 -3.708 7.880 7.093 1.00 0.00 C ATOM 705 C SER A 71 -2.253 7.672 7.503 1.00 0.00 C ATOM 706 O SER A 71 -1.943 6.775 8.288 1.00 0.00 O ATOM 707 CB SER A 71 -3.933 7.331 5.687 1.00 0.00 C ATOM 708 OG SER A 71 -5.267 7.544 5.268 1.00 0.00 O ATOM 0 H SER A 71 -4.333 9.693 6.243 1.00 0.00 H new ATOM 0 HA SER A 71 -4.342 7.342 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.248 7.813 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.708 6.265 5.669 1.00 0.00 H new ATOM 0 HG SER A 71 -5.440 8.506 5.203 1.00 0.00 H new ATOM 714 N VAL A 72 -1.364 8.501 6.964 1.00 0.00 N ATOM 715 CA VAL A 72 0.059 8.404 7.272 1.00 0.00 C ATOM 716 C VAL A 72 0.663 9.784 7.503 1.00 0.00 C ATOM 717 O VAL A 72 0.413 10.719 6.741 1.00 0.00 O ATOM 718 CB VAL A 72 0.836 7.703 6.137 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.311 7.588 6.489 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.244 6.333 5.839 1.00 0.00 C ATOM 0 H VAL A 72 -1.604 9.248 6.312 1.00 0.00 H new ATOM 0 HA VAL A 72 0.146 7.811 8.182 1.00 0.00 H new ATOM 0 HB VAL A 72 0.745 8.312 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.841 7.091 5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.728 8.584 6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.422 7.006 7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.809 5.859 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.295 5.712 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.796 6.445 5.534 1.00 0.00 H new ATOM 730 N GLN A 73 1.465 9.904 8.558 1.00 0.00 N ATOM 731 CA GLN A 73 2.113 11.168 8.892 1.00 0.00 C ATOM 732 C GLN A 73 3.165 11.527 7.842 1.00 0.00 C ATOM 733 O GLN A 73 2.921 11.397 6.643 1.00 0.00 O ATOM 734 CB GLN A 73 2.748 11.082 10.281 1.00 0.00 C ATOM 735 CG GLN A 73 1.751 10.776 11.387 1.00 0.00 C ATOM 736 CD GLN A 73 2.402 10.694 12.753 1.00 0.00 C ATOM 737 OE1 GLN A 73 3.012 11.655 13.223 1.00 0.00 O ATOM 738 NE2 GLN A 73 2.278 9.542 13.400 1.00 0.00 N ATOM 0 H GLN A 73 1.682 9.139 9.197 1.00 0.00 H new ATOM 0 HA GLN A 73 1.359 11.955 8.901 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.517 10.310 10.273 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.246 12.026 10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.982 11.548 11.401 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.251 9.832 11.170 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.764 8.771 12.974 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.697 9.428 14.323 1.00 0.00 H new ATOM 747 N LYS A 74 4.335 11.977 8.292 1.00 0.00 N ATOM 748 CA LYS A 74 5.408 12.344 7.374 1.00 0.00 C ATOM 749 C LYS A 74 5.825 11.142 6.534 1.00 0.00 C ATOM 750 O LYS A 74 6.181 10.091 7.068 1.00 0.00 O ATOM 751 CB LYS A 74 6.612 12.885 8.150 1.00 0.00 C ATOM 752 CG LYS A 74 7.773 13.302 7.261 1.00 0.00 C ATOM 753 CD LYS A 74 8.941 13.836 8.077 1.00 0.00 C ATOM 754 CE LYS A 74 9.509 12.776 9.008 1.00 0.00 C ATOM 755 NZ LYS A 74 10.004 11.587 8.261 1.00 0.00 N ATOM 0 H LYS A 74 4.562 12.095 9.279 1.00 0.00 H new ATOM 0 HA LYS A 74 5.039 13.125 6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.295 13.742 8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.956 12.122 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.103 12.449 6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.439 14.067 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.724 14.187 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.613 14.696 8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.325 13.204 9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.741 12.466 9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.518 10.958 8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.198 11.075 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.642 11.896 7.500 1.00 0.00 H new ATOM 769 N VAL A 75 5.773 11.302 5.216 1.00 0.00 N ATOM 770 CA VAL A 75 6.139 10.229 4.301 1.00 0.00 C ATOM 771 C VAL A 75 7.653 10.049 4.232 1.00 0.00 C ATOM 772 O VAL A 75 8.393 11.008 4.015 1.00 0.00 O ATOM 773 CB VAL A 75 5.596 10.495 2.885 1.00 0.00 C ATOM 774 CG1 VAL A 75 5.959 9.352 1.949 1.00 0.00 C ATOM 775 CG2 VAL A 75 4.091 10.708 2.922 1.00 0.00 C ATOM 0 H VAL A 75 5.481 12.165 4.758 1.00 0.00 H new ATOM 0 HA VAL A 75 5.691 9.315 4.690 1.00 0.00 H new ATOM 0 HB VAL A 75 6.059 11.405 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.567 9.558 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.043 9.254 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.528 8.424 2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.725 10.895 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.607 9.818 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.860 11.564 3.556 1.00 0.00 H new ATOM 785 N ASN A 76 8.103 8.811 4.413 1.00 0.00 N ATOM 786 CA ASN A 76 9.527 8.500 4.367 1.00 0.00 C ATOM 787 C ASN A 76 9.943 8.049 2.970 1.00 0.00 C ATOM 788 O ASN A 76 9.302 7.182 2.374 1.00 0.00 O ATOM 789 CB ASN A 76 9.866 7.408 5.382 1.00 0.00 C ATOM 790 CG ASN A 76 9.470 7.785 6.794 1.00 0.00 C ATOM 791 OD1 ASN A 76 8.591 6.989 7.394 1.00 0.00 O flip ATOM 792 ND2 ASN A 76 9.947 8.778 7.342 1.00 0.00 N flip ATOM 0 H ASN A 76 7.502 8.007 4.593 1.00 0.00 H new ATOM 0 HA ASN A 76 10.076 9.407 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.359 6.485 5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.937 7.207 5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.619 9.362 6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.670 9.017 8.294 1.00 0.00 H new ATOM 799 N ASP A 77 11.023 8.630 2.459 1.00 0.00 N ATOM 800 CA ASP A 77 11.526 8.274 1.137 1.00 0.00 C ATOM 801 C ASP A 77 12.080 6.850 1.143 1.00 0.00 C ATOM 802 O ASP A 77 12.751 6.447 2.092 1.00 0.00 O ATOM 803 CB ASP A 77 12.613 9.257 0.699 1.00 0.00 C ATOM 804 CG ASP A 77 12.106 10.684 0.625 1.00 0.00 C ATOM 805 OD1 ASP A 77 11.167 10.941 -0.158 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.648 11.545 1.348 1.00 0.00 O ATOM 0 H ASP A 77 11.566 9.348 2.939 1.00 0.00 H new ATOM 0 HA ASP A 77 10.699 8.325 0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.448 9.207 1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.996 8.959 -0.277 1.00 0.00 H new ATOM 811 N PRO A 78 11.803 6.064 0.089 1.00 0.00 N ATOM 812 CA PRO A 78 12.279 4.680 -0.008 1.00 0.00 C ATOM 813 C PRO A 78 13.770 4.589 -0.333 1.00 0.00 C ATOM 814 O PRO A 78 14.197 3.705 -1.077 1.00 0.00 O ATOM 815 CB PRO A 78 11.444 4.105 -1.152 1.00 0.00 C ATOM 816 CG PRO A 78 11.132 5.278 -2.015 1.00 0.00 C ATOM 817 CD PRO A 78 11.001 6.457 -1.088 1.00 0.00 C ATOM 0 HA PRO A 78 12.169 4.145 0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.997 3.344 -1.702 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.534 3.633 -0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.922 5.444 -2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.210 5.117 -2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.381 7.371 -1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.961 6.643 -0.820 1.00 0.00 H new ATOM 825 N VAL A 79 14.556 5.502 0.230 1.00 0.00 N ATOM 826 CA VAL A 79 15.998 5.517 0.001 1.00 0.00 C ATOM 827 C VAL A 79 16.699 4.465 0.855 1.00 0.00 C ATOM 828 O VAL A 79 17.420 3.611 0.339 1.00 0.00 O ATOM 829 CB VAL A 79 16.601 6.900 0.317 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.089 6.921 0.001 1.00 0.00 C ATOM 831 CG2 VAL A 79 15.869 7.991 -0.447 1.00 0.00 C ATOM 0 H VAL A 79 14.219 6.241 0.848 1.00 0.00 H new ATOM 0 HA VAL A 79 16.155 5.291 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 79 16.478 7.093 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.496 7.906 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.599 6.168 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.239 6.704 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.310 8.959 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.955 7.805 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.817 7.992 -0.162 1.00 0.00 H new ATOM 841 N GLN A 80 16.481 4.537 2.165 1.00 0.00 N ATOM 842 CA GLN A 80 17.088 3.594 3.098 1.00 0.00 C ATOM 843 C GLN A 80 16.433 2.217 2.989 1.00 0.00 C ATOM 844 O GLN A 80 16.350 1.650 1.898 1.00 0.00 O ATOM 845 CB GLN A 80 16.984 4.130 4.529 1.00 0.00 C ATOM 846 CG GLN A 80 17.722 5.442 4.744 1.00 0.00 C ATOM 847 CD GLN A 80 19.219 5.318 4.528 1.00 0.00 C ATOM 848 OE1 GLN A 80 19.677 4.991 3.433 1.00 0.00 O ATOM 849 NE2 GLN A 80 19.990 5.578 5.578 1.00 0.00 N ATOM 0 H GLN A 80 15.887 5.240 2.605 1.00 0.00 H new ATOM 0 HA GLN A 80 18.141 3.484 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 80 15.933 4.269 4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.380 3.383 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 80 17.323 6.194 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.534 5.797 5.757 1.00 0.00 H new ATOM 0 HE21 GLN A 80 19.568 5.846 6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 80 21.004 5.510 5.495 1.00 0.00 H new ATOM 858 N ASN A 81 15.972 1.679 4.117 1.00 0.00 N ATOM 859 CA ASN A 81 15.332 0.367 4.126 1.00 0.00 C ATOM 860 C ASN A 81 14.205 0.310 5.152 1.00 0.00 C ATOM 861 O ASN A 81 13.099 -0.134 4.844 1.00 0.00 O ATOM 862 CB ASN A 81 16.360 -0.724 4.430 1.00 0.00 C ATOM 863 CG ASN A 81 17.494 -0.751 3.424 1.00 0.00 C ATOM 864 OD1 ASN A 81 17.274 -0.945 2.229 1.00 0.00 O ATOM 865 ND2 ASN A 81 18.717 -0.557 3.904 1.00 0.00 N ATOM 0 H ASN A 81 16.030 2.129 5.031 1.00 0.00 H new ATOM 0 HA ASN A 81 14.907 0.198 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.768 -0.566 5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.863 -1.694 4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 81 19.519 -0.565 3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.854 -0.400 4.902 1.00 0.00 H new ATOM 872 N TRP A 82 14.489 0.755 6.373 1.00 0.00 N ATOM 873 CA TRP A 82 13.488 0.742 7.433 1.00 0.00 C ATOM 874 C TRP A 82 12.378 1.753 7.154 1.00 0.00 C ATOM 875 O TRP A 82 11.289 1.659 7.718 1.00 0.00 O ATOM 876 CB TRP A 82 14.134 0.986 8.803 1.00 0.00 C ATOM 877 CG TRP A 82 14.816 2.313 8.949 1.00 0.00 C ATOM 878 CD1 TRP A 82 16.144 2.575 8.768 1.00 0.00 C ATOM 879 CD2 TRP A 82 14.215 3.549 9.354 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.401 3.902 9.016 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.235 4.520 9.379 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.913 3.931 9.691 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.991 5.847 9.730 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.673 5.247 10.039 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.708 6.192 10.056 1.00 0.00 C ATOM 0 H TRP A 82 15.397 1.126 6.651 1.00 0.00 H new ATOM 0 HA TRP A 82 13.034 -0.249 7.453 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.366 0.902 9.572 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.862 0.197 8.992 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.884 1.846 8.473 1.00 0.00 H new ATOM 0 HE1 TRP A 82 17.313 4.353 8.942 1.00 0.00 H new ATOM 0 HE3 TRP A 82 12.109 3.210 9.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.787 6.577 9.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.671 5.552 10.302 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.488 7.213 10.332 1.00 0.00 H new ATOM 896 N HIS A 83 12.654 2.708 6.266 1.00 0.00 N ATOM 897 CA HIS A 83 11.664 3.719 5.901 1.00 0.00 C ATOM 898 C HIS A 83 10.400 3.055 5.363 1.00 0.00 C ATOM 899 O HIS A 83 9.287 3.414 5.747 1.00 0.00 O ATOM 900 CB HIS A 83 12.233 4.677 4.851 1.00 0.00 C ATOM 901 CG HIS A 83 13.309 5.581 5.371 1.00 0.00 C ATOM 902 ND1 HIS A 83 13.970 6.498 4.582 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.830 5.714 6.612 1.00 0.00 C ATOM 904 CE1 HIS A 83 14.850 7.155 5.314 1.00 0.00 C ATOM 905 NE2 HIS A 83 14.785 6.698 6.550 1.00 0.00 N ATOM 0 H HIS A 83 13.550 2.802 5.789 1.00 0.00 H new ATOM 0 HA HIS A 83 11.413 4.288 6.796 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.632 4.094 4.021 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.422 5.286 4.452 1.00 0.00 H new ATOM 0 HD1 HIS A 83 13.805 6.646 3.586 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.547 5.151 7.489 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.510 7.934 4.962 1.00 0.00 H new ATOM 914 N LYS A 84 10.585 2.080 4.476 1.00 0.00 N ATOM 915 CA LYS A 84 9.466 1.357 3.886 1.00 0.00 C ATOM 916 C LYS A 84 8.655 0.643 4.962 1.00 0.00 C ATOM 917 O LYS A 84 7.427 0.628 4.919 1.00 0.00 O ATOM 918 CB LYS A 84 9.971 0.340 2.861 1.00 0.00 C ATOM 919 CG LYS A 84 10.701 0.967 1.686 1.00 0.00 C ATOM 920 CD LYS A 84 11.197 -0.091 0.713 1.00 0.00 C ATOM 921 CE LYS A 84 11.843 0.537 -0.512 1.00 0.00 C ATOM 922 NZ LYS A 84 12.351 -0.491 -1.460 1.00 0.00 N ATOM 0 H LYS A 84 11.502 1.774 4.151 1.00 0.00 H new ATOM 0 HA LYS A 84 8.823 2.081 3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.639 -0.363 3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.125 -0.235 2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.035 1.657 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.545 1.553 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.917 -0.738 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.363 -0.721 0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.117 1.172 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.665 1.180 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.784 -0.022 -2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.062 -1.081 -0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.562 -1.089 -1.779 1.00 0.00 H new ATOM 936 N LEU A 85 9.357 0.050 5.921 1.00 0.00 N ATOM 937 CA LEU A 85 8.720 -0.674 7.012 1.00 0.00 C ATOM 938 C LEU A 85 7.689 0.196 7.729 1.00 0.00 C ATOM 939 O LEU A 85 6.649 -0.295 8.167 1.00 0.00 O ATOM 940 CB LEU A 85 9.781 -1.148 8.003 1.00 0.00 C ATOM 941 CG LEU A 85 10.846 -2.077 7.416 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.899 -2.412 8.462 1.00 0.00 C ATOM 943 CD2 LEU A 85 10.207 -3.349 6.877 1.00 0.00 C ATOM 0 H LEU A 85 10.376 0.058 5.964 1.00 0.00 H new ATOM 0 HA LEU A 85 8.200 -1.535 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.276 -0.275 8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.284 -1.663 8.825 1.00 0.00 H new ATOM 0 HG LEU A 85 11.334 -1.560 6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.648 -3.073 8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.379 -1.494 8.802 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.425 -2.909 9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.980 -3.997 6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.692 -3.868 7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.491 -3.094 6.096 1.00 0.00 H new ATOM 955 N GLU A 86 7.988 1.485 7.846 1.00 0.00 N ATOM 956 CA GLU A 86 7.089 2.420 8.511 1.00 0.00 C ATOM 957 C GLU A 86 5.881 2.724 7.635 1.00 0.00 C ATOM 958 O GLU A 86 4.742 2.698 8.101 1.00 0.00 O ATOM 959 CB GLU A 86 7.828 3.712 8.866 1.00 0.00 C ATOM 960 CG GLU A 86 6.966 4.724 9.599 1.00 0.00 C ATOM 961 CD GLU A 86 7.753 5.931 10.074 1.00 0.00 C ATOM 962 OE1 GLU A 86 8.983 5.960 9.863 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.138 6.845 10.663 1.00 0.00 O ATOM 0 H GLU A 86 8.846 1.906 7.489 1.00 0.00 H new ATOM 0 HA GLU A 86 6.736 1.956 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.692 3.468 9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.208 4.166 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.163 5.055 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.496 4.242 10.456 1.00 0.00 H new ATOM 970 N ASN A 87 6.136 3.002 6.360 1.00 0.00 N ATOM 971 CA ASN A 87 5.074 3.300 5.418 1.00 0.00 C ATOM 972 C ASN A 87 4.101 2.129 5.328 1.00 0.00 C ATOM 973 O ASN A 87 2.885 2.315 5.301 1.00 0.00 O ATOM 974 CB ASN A 87 5.668 3.587 4.037 1.00 0.00 C ATOM 975 CG ASN A 87 6.643 4.752 4.034 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.763 5.441 5.161 1.00 0.00 O flip ATOM 977 ND2 ASN A 87 7.278 5.035 3.019 1.00 0.00 N flip ATOM 0 H ASN A 87 7.074 3.026 5.959 1.00 0.00 H new ATOM 0 HA ASN A 87 4.534 4.180 5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.178 2.694 3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.859 3.797 3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.158 4.481 2.171 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.924 5.824 3.025 1.00 0.00 H new ATOM 984 N ILE A 88 4.651 0.921 5.283 1.00 0.00 N ATOM 985 CA ILE A 88 3.839 -0.287 5.193 1.00 0.00 C ATOM 986 C ILE A 88 3.036 -0.513 6.470 1.00 0.00 C ATOM 987 O ILE A 88 1.858 -0.863 6.419 1.00 0.00 O ATOM 988 CB ILE A 88 4.707 -1.530 4.920 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.519 -1.341 3.636 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.833 -2.772 4.822 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.433 -2.506 3.317 1.00 0.00 C ATOM 0 H ILE A 88 5.657 0.752 5.307 1.00 0.00 H new ATOM 0 HA ILE A 88 3.153 -0.141 4.359 1.00 0.00 H new ATOM 0 HB ILE A 88 5.401 -1.661 5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.834 -1.189 2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.118 -0.435 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.459 -3.643 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.294 -2.913 5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.119 -2.651 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.976 -2.301 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.143 -2.645 4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.839 -3.412 3.195 1.00 0.00 H new ATOM 1003 N GLY A 89 3.684 -0.320 7.615 1.00 0.00 N ATOM 1004 CA GLY A 89 3.016 -0.517 8.889 1.00 0.00 C ATOM 1005 C GLY A 89 1.806 0.381 9.063 1.00 0.00 C ATOM 1006 O GLY A 89 0.731 -0.083 9.443 1.00 0.00 O ATOM 0 H GLY A 89 4.660 -0.031 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.705 -1.558 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.722 -0.328 9.697 1.00 0.00 H new ATOM 1010 N ASN A 90 1.981 1.670 8.787 1.00 0.00 N ATOM 1011 CA ASN A 90 0.894 2.634 8.919 1.00 0.00 C ATOM 1012 C ASN A 90 -0.182 2.407 7.862 1.00 0.00 C ATOM 1013 O ASN A 90 -1.374 2.499 8.152 1.00 0.00 O ATOM 1014 CB ASN A 90 1.433 4.062 8.809 1.00 0.00 C ATOM 1015 CG ASN A 90 2.450 4.384 9.883 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.637 4.802 9.463 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 2.170 4.267 11.076 1.00 0.00 N flip ATOM 0 H ASN A 90 2.864 2.071 8.471 1.00 0.00 H new ATOM 0 HA ASN A 90 0.444 2.492 9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.889 4.200 7.829 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.603 4.766 8.876 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.244 3.942 11.353 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.864 4.495 11.788 1.00 0.00 H new ATOM 1024 N PHE A 91 0.243 2.118 6.636 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.692 1.888 5.539 1.00 0.00 C ATOM 1026 C PHE A 91 -1.623 0.718 5.843 1.00 0.00 C ATOM 1027 O PHE A 91 -2.843 0.848 5.759 1.00 0.00 O ATOM 1028 CB PHE A 91 0.067 1.618 4.237 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.831 1.356 3.060 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.841 2.247 2.729 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.666 0.219 2.286 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.669 2.005 1.650 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.491 -0.027 1.205 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.494 0.867 0.887 1.00 0.00 C ATOM 0 H PHE A 91 1.226 2.038 6.377 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.295 2.789 5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.704 2.474 4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.724 0.760 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.982 3.139 3.321 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.117 -0.484 2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.453 2.706 1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.351 -0.917 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.141 0.677 0.043 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.041 -0.423 6.196 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.820 -1.615 6.510 1.00 0.00 C ATOM 1046 C LEU A 92 -2.675 -1.394 7.749 1.00 0.00 C ATOM 1047 O LEU A 92 -3.848 -1.757 7.775 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.897 -2.814 6.713 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.128 -3.241 5.465 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.874 -4.333 5.802 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.089 -3.709 4.386 1.00 0.00 C ATOM 0 H LEU A 92 -0.031 -0.547 6.272 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.483 -1.819 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.182 -2.577 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.491 -3.658 7.065 1.00 0.00 H new ATOM 0 HG LEU A 92 0.422 -2.380 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.412 -4.624 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.582 -3.961 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.348 -5.198 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.526 -4.010 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.666 -4.557 4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.766 -2.896 4.125 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.085 -0.792 8.771 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.799 -0.514 10.010 1.00 0.00 C ATOM 1065 C ARG A 93 -4.005 0.377 9.739 1.00 0.00 C ATOM 1066 O ARG A 93 -5.071 0.200 10.329 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.865 0.162 11.014 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.538 0.520 12.329 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.589 1.255 13.255 1.00 0.00 C ATOM 1070 NE ARG A 93 -2.225 1.612 14.520 1.00 0.00 N ATOM 1071 CZ ARG A 93 -1.606 2.267 15.498 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -0.341 2.640 15.354 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -2.253 2.552 16.620 1.00 0.00 N ATOM 0 H ARG A 93 -1.112 -0.486 8.767 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.148 -1.457 10.429 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.022 -0.500 11.215 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.458 1.068 10.565 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.412 1.141 12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.894 -0.388 12.816 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.718 0.630 13.451 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.229 2.158 12.763 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.199 1.344 14.662 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.159 2.425 14.492 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.131 3.142 16.106 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.226 2.269 16.733 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.777 3.054 17.369 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.820 1.339 8.843 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.879 2.273 8.485 1.00 0.00 C ATOM 1089 C ALA A 94 -5.981 1.601 7.672 1.00 0.00 C ATOM 1090 O ALA A 94 -7.161 1.823 7.926 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.300 3.450 7.714 1.00 0.00 C ATOM 0 H ALA A 94 -2.941 1.493 8.349 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.328 2.632 9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.100 4.142 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.564 3.964 8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.820 3.088 6.805 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.594 0.795 6.684 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.564 0.113 5.829 1.00 0.00 C ATOM 1099 C ILE A 95 -7.304 -0.994 6.579 1.00 0.00 C ATOM 1100 O ILE A 95 -8.506 -1.187 6.389 1.00 0.00 O ATOM 1101 CB ILE A 95 -5.902 -0.483 4.565 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -4.931 -1.609 4.934 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.185 0.609 3.785 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.310 -2.292 3.733 1.00 0.00 C ATOM 0 H ILE A 95 -4.619 0.599 6.457 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.282 0.874 5.524 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.684 -0.908 3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.137 -1.202 5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.460 -2.352 5.531 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.723 0.178 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.902 1.373 3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.416 1.059 4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.634 -3.078 4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.095 -2.729 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.753 -1.561 3.147 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.583 -1.717 7.429 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.166 -2.801 8.207 1.00 0.00 C ATOM 1118 C LYS A 96 -8.303 -2.285 9.084 1.00 0.00 C ATOM 1119 O LYS A 96 -9.335 -2.940 9.232 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.090 -3.470 9.068 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.122 -4.338 8.279 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.087 -5.002 9.179 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.740 -5.890 10.226 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.734 -6.528 11.120 1.00 0.00 N ATOM 0 H LYS A 96 -5.588 -1.570 7.596 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.575 -3.540 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.526 -2.698 9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.575 -4.082 9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.679 -5.105 7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.615 -3.728 7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.405 -5.597 8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.489 -4.236 9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.432 -5.297 10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.327 -6.663 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.220 -7.125 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.088 -7.114 10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.190 -5.791 11.612 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.104 -1.103 9.654 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.105 -0.481 10.511 1.00 0.00 C ATOM 1140 C HIS A 97 -10.098 0.323 9.683 1.00 0.00 C ATOM 1141 O HIS A 97 -11.279 0.415 10.017 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.429 0.431 11.534 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.378 1.033 12.525 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.160 0.278 13.373 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.669 2.327 12.799 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.891 1.081 14.127 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.611 2.328 13.798 1.00 0.00 N ATOM 0 H HIS A 97 -7.253 -0.553 9.537 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.645 -1.270 11.034 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.671 -0.139 12.071 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.911 1.232 11.007 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.240 3.196 12.321 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.597 0.770 14.883 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.027 3.159 14.218 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.597 0.913 8.602 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.419 1.730 7.713 1.00 0.00 C ATOM 1158 C TYR A 98 -11.672 0.978 7.276 1.00 0.00 C ATOM 1159 O TYR A 98 -12.770 1.534 7.273 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.613 2.149 6.481 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.346 3.098 5.559 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -10.880 4.290 6.035 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.503 2.801 4.211 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.549 5.158 5.193 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.170 3.665 3.363 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.691 4.841 3.859 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.356 5.704 3.017 1.00 0.00 O ATOM 0 H TYR A 98 -8.620 0.840 8.319 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.725 2.619 8.264 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.687 2.621 6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.335 1.256 5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.770 4.542 7.080 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.097 1.880 3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -11.959 6.080 5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.282 3.420 2.317 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.367 5.333 2.110 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.501 -0.288 6.909 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.632 -1.087 6.474 1.00 0.00 C ATOM 1179 C GLY A 99 -12.224 -2.442 5.938 1.00 0.00 C ATOM 1180 O GLY A 99 -12.852 -3.454 6.251 1.00 0.00 O ATOM 0 H GLY A 99 -10.604 -0.773 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.317 -1.224 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.177 -0.545 5.701 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.178 -2.462 5.119 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.696 -3.704 4.531 1.00 0.00 C ATOM 1186 C VAL A 100 -10.337 -4.717 5.614 1.00 0.00 C ATOM 1187 O VAL A 100 -9.577 -4.413 6.535 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.467 -3.462 3.633 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.119 -4.726 2.863 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.725 -2.308 2.675 1.00 0.00 C ATOM 0 H VAL A 100 -10.649 -1.633 4.848 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.505 -4.103 3.919 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.621 -3.198 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.249 -4.540 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.894 -5.529 3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.964 -5.016 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.847 -2.152 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.583 -2.543 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.931 -1.402 3.244 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.894 -5.917 5.499 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.643 -6.978 6.470 1.00 0.00 C ATOM 1202 C LYS A 101 -9.182 -7.422 6.436 1.00 0.00 C ATOM 1203 O LYS A 101 -8.587 -7.544 5.365 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.555 -8.175 6.196 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.037 -7.841 6.276 1.00 0.00 C ATOM 1206 CD LYS A 101 -13.903 -9.062 6.003 1.00 0.00 C ATOM 1207 CE LYS A 101 -13.689 -9.599 4.596 1.00 0.00 C ATOM 1208 NZ LYS A 101 -14.534 -10.795 4.324 1.00 0.00 N ATOM 0 H LYS A 101 -11.524 -6.181 4.742 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.859 -6.581 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.333 -8.571 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.330 -8.965 6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.268 -7.444 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.273 -7.058 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.673 -9.842 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.953 -8.801 6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.920 -8.819 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.639 -9.858 4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.359 -11.131 3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.296 -11.549 5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.537 -10.542 4.427 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.582 -7.674 7.615 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.184 -8.109 7.716 1.00 0.00 C ATOM 1224 C PRO A 102 -6.912 -9.354 6.878 1.00 0.00 C ATOM 1225 O PRO A 102 -5.879 -9.456 6.215 1.00 0.00 O ATOM 1226 CB PRO A 102 -7.007 -8.419 9.204 1.00 0.00 C ATOM 1227 CG PRO A 102 -8.064 -7.624 9.890 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.219 -7.554 8.940 1.00 0.00 C ATOM 0 HA PRO A 102 -6.494 -7.352 7.345 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.123 -9.485 9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.013 -8.137 9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.359 -8.096 10.827 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.702 -6.626 10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.933 -8.358 9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.765 -6.616 9.040 1.00 0.00 H new ATOM 1236 N HIS A 103 -7.848 -10.297 6.912 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.720 -11.538 6.155 1.00 0.00 C ATOM 1238 C HIS A 103 -7.561 -11.247 4.667 1.00 0.00 C ATOM 1239 O HIS A 103 -7.007 -12.056 3.920 1.00 0.00 O ATOM 1240 CB HIS A 103 -8.940 -12.431 6.386 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.138 -12.816 7.819 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -9.335 -11.895 8.826 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -9.171 -14.032 8.413 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -9.478 -12.528 9.977 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -9.384 -13.825 9.753 1.00 0.00 N ATOM 0 H HIS A 103 -8.707 -10.225 7.458 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.829 -12.060 6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.831 -11.913 6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -8.837 -13.335 5.786 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.052 -14.987 7.924 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.644 -12.063 10.938 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.458 -14.555 10.461 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.042 -10.082 4.246 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.951 -9.668 2.856 1.00 0.00 C ATOM 1256 C ASP A 104 -6.936 -8.547 2.725 1.00 0.00 C ATOM 1257 O ASP A 104 -7.114 -7.611 1.943 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.318 -9.205 2.350 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.349 -10.317 2.356 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -9.999 -11.451 2.748 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.507 -10.054 1.967 1.00 0.00 O ATOM 0 H ASP A 104 -8.502 -9.405 4.855 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.628 -10.516 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.672 -8.383 2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.214 -8.816 1.337 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.875 -8.648 3.515 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.823 -7.647 3.523 1.00 0.00 C ATOM 1268 C ILE A 105 -3.463 -8.279 3.788 1.00 0.00 C ATOM 1269 O ILE A 105 -3.296 -9.046 4.736 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.095 -6.580 4.601 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.356 -5.786 4.263 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -3.902 -5.655 4.747 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.711 -4.736 5.295 1.00 0.00 C ATOM 0 H ILE A 105 -5.722 -9.421 4.163 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.814 -7.180 2.538 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.254 -7.085 5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.221 -5.301 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.192 -6.477 4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.112 -4.908 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.025 -6.235 5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.710 -5.157 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.617 -4.214 4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.879 -5.216 6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.893 -4.021 5.383 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.490 -7.943 2.948 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.141 -8.469 3.095 1.00 0.00 C ATOM 1287 C PHE A 106 -0.452 -7.847 4.300 1.00 0.00 C ATOM 1288 O PHE A 106 -0.663 -6.677 4.612 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.323 -8.214 1.828 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.195 -6.759 1.465 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.767 -5.963 2.066 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.030 -6.192 0.517 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.892 -4.629 1.729 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.910 -4.859 0.175 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.053 -4.076 0.782 1.00 0.00 C ATOM 0 H PHE A 106 -2.612 -7.309 2.159 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.211 -9.545 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.674 -8.634 1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.785 -8.746 0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.427 -6.390 2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.784 -6.799 0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.645 -4.019 2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.568 -4.429 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.149 -3.034 0.516 1.00 0.00 H new ATOM 1305 N GLU A 107 0.369 -8.637 4.974 1.00 0.00 N ATOM 1306 CA GLU A 107 1.088 -8.154 6.147 1.00 0.00 C ATOM 1307 C GLU A 107 2.354 -7.419 5.744 1.00 0.00 C ATOM 1308 O GLU A 107 2.848 -7.574 4.627 1.00 0.00 O ATOM 1309 CB GLU A 107 1.438 -9.303 7.088 1.00 0.00 C ATOM 1310 CG GLU A 107 0.227 -10.034 7.613 1.00 0.00 C ATOM 1311 CD GLU A 107 0.582 -11.139 8.590 1.00 0.00 C ATOM 1312 OE1 GLU A 107 1.786 -11.333 8.857 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -0.346 -11.810 9.088 1.00 0.00 O ATOM 0 H GLU A 107 0.555 -9.610 4.732 1.00 0.00 H new ATOM 0 HA GLU A 107 0.430 -7.461 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.081 -10.010 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.011 -8.913 7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.437 -9.322 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.325 -10.460 6.775 1.00 0.00 H new ATOM 1320 N ALA A 108 2.874 -6.623 6.667 1.00 0.00 N ATOM 1321 CA ALA A 108 4.086 -5.862 6.423 1.00 0.00 C ATOM 1322 C ALA A 108 5.204 -6.763 5.913 1.00 0.00 C ATOM 1323 O ALA A 108 6.108 -6.306 5.215 1.00 0.00 O ATOM 1324 CB ALA A 108 4.519 -5.138 7.688 1.00 0.00 C ATOM 0 H ALA A 108 2.472 -6.489 7.595 1.00 0.00 H new ATOM 0 HA ALA A 108 3.873 -5.121 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.429 -4.572 7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.730 -4.457 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.709 -5.866 8.477 1.00 0.00 H new ATOM 1330 N ASN A 109 5.140 -8.048 6.262 1.00 0.00 N ATOM 1331 CA ASN A 109 6.152 -9.001 5.830 1.00 0.00 C ATOM 1332 C ASN A 109 5.799 -9.612 4.479 1.00 0.00 C ATOM 1333 O ASN A 109 6.675 -9.858 3.653 1.00 0.00 O ATOM 1334 CB ASN A 109 6.333 -10.099 6.875 1.00 0.00 C ATOM 1335 CG ASN A 109 5.020 -10.723 7.303 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.163 -10.057 7.883 1.00 0.00 O ATOM 1337 ND2 ASN A 109 4.855 -12.010 7.021 1.00 0.00 N ATOM 0 H ASN A 109 4.400 -8.448 6.840 1.00 0.00 H new ATOM 0 HA ASN A 109 7.092 -8.460 5.720 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.984 -10.874 6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.835 -9.684 7.749 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.992 -12.484 7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.592 -12.525 6.538 1.00 0.00 H new ATOM 1344 N ASP A 110 4.513 -9.861 4.262 1.00 0.00 N ATOM 1345 CA ASP A 110 4.055 -10.446 3.008 1.00 0.00 C ATOM 1346 C ASP A 110 4.564 -9.640 1.817 1.00 0.00 C ATOM 1347 O ASP A 110 4.994 -10.205 0.810 1.00 0.00 O ATOM 1348 CB ASP A 110 2.526 -10.516 2.977 1.00 0.00 C ATOM 1349 CG ASP A 110 1.961 -11.372 4.093 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.757 -11.902 4.898 1.00 0.00 O ATOM 1351 OD2 ASP A 110 0.722 -11.516 4.163 1.00 0.00 O ATOM 0 H ASP A 110 3.772 -9.668 4.935 1.00 0.00 H new ATOM 0 HA ASP A 110 4.456 -11.457 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.118 -9.508 3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.203 -10.918 2.016 1.00 0.00 H new ATOM 1356 N LEU A 111 4.510 -8.318 1.938 1.00 0.00 N ATOM 1357 CA LEU A 111 4.963 -7.432 0.871 1.00 0.00 C ATOM 1358 C LEU A 111 6.469 -7.178 0.949 1.00 0.00 C ATOM 1359 O LEU A 111 7.176 -7.296 -0.050 1.00 0.00 O ATOM 1360 CB LEU A 111 4.206 -6.103 0.935 1.00 0.00 C ATOM 1361 CG LEU A 111 4.623 -5.066 -0.112 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.398 -5.603 -1.517 1.00 0.00 C ATOM 1363 CD2 LEU A 111 3.860 -3.767 0.092 1.00 0.00 C ATOM 0 H LEU A 111 4.157 -7.836 2.765 1.00 0.00 H new ATOM 0 HA LEU A 111 4.756 -7.924 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.141 -6.304 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.344 -5.671 1.926 1.00 0.00 H new ATOM 0 HG LEU A 111 5.687 -4.863 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.700 -4.852 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.990 -6.507 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.342 -5.836 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.169 -3.042 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.790 -3.955 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.073 -3.372 1.085 1.00 0.00 H new ATOM 1375 N PHE A 112 6.951 -6.815 2.137 1.00 0.00 N ATOM 1376 CA PHE A 112 8.372 -6.528 2.330 1.00 0.00 C ATOM 1377 C PHE A 112 9.237 -7.752 2.039 1.00 0.00 C ATOM 1378 O PHE A 112 10.107 -7.712 1.169 1.00 0.00 O ATOM 1379 CB PHE A 112 8.631 -6.042 3.756 1.00 0.00 C ATOM 1380 CG PHE A 112 10.055 -5.625 4.002 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.660 -4.664 3.206 1.00 0.00 C ATOM 1382 CD2 PHE A 112 10.790 -6.201 5.027 1.00 0.00 C ATOM 1383 CE1 PHE A 112 11.970 -4.284 3.430 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.100 -5.824 5.255 1.00 0.00 C ATOM 1385 CZ PHE A 112 12.691 -4.865 4.456 1.00 0.00 C ATOM 0 H PHE A 112 6.381 -6.713 2.977 1.00 0.00 H new ATOM 0 HA PHE A 112 8.644 -5.743 1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.973 -5.200 3.969 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.368 -6.836 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.101 -4.207 2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.334 -6.953 5.654 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.430 -3.534 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.661 -6.279 6.058 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.715 -4.570 4.633 1.00 0.00 H new ATOM 1395 N GLU A 113 8.995 -8.840 2.768 1.00 0.00 N ATOM 1396 CA GLU A 113 9.760 -10.067 2.575 1.00 0.00 C ATOM 1397 C GLU A 113 9.395 -10.729 1.252 1.00 0.00 C ATOM 1398 O GLU A 113 9.901 -11.802 0.927 1.00 0.00 O ATOM 1399 CB GLU A 113 9.513 -11.035 3.731 1.00 0.00 C ATOM 1400 CG GLU A 113 10.007 -10.516 5.070 1.00 0.00 C ATOM 1401 CD GLU A 113 11.498 -10.242 5.074 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.277 -11.189 4.835 1.00 0.00 O ATOM 1403 OE2 GLU A 113 11.888 -9.080 5.317 1.00 0.00 O ATOM 0 H GLU A 113 8.280 -8.896 3.493 1.00 0.00 H new ATOM 0 HA GLU A 113 10.818 -9.808 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.445 -11.240 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.006 -11.982 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.472 -9.600 5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.773 -11.244 5.847 1.00 0.00 H new ATOM 1410 N ASN A 114 8.505 -10.077 0.504 1.00 0.00 N ATOM 1411 CA ASN A 114 8.044 -10.582 -0.786 1.00 0.00 C ATOM 1412 C ASN A 114 7.730 -12.072 -0.714 1.00 0.00 C ATOM 1413 O ASN A 114 7.824 -12.785 -1.713 1.00 0.00 O ATOM 1414 CB ASN A 114 9.083 -10.306 -1.882 1.00 0.00 C ATOM 1415 CG ASN A 114 10.401 -11.018 -1.646 1.00 0.00 C ATOM 1416 OD1 ASN A 114 10.461 -12.247 -1.611 1.00 0.00 O ATOM 1417 ND2 ASN A 114 11.469 -10.245 -1.480 1.00 0.00 N ATOM 0 H ASN A 114 8.086 -9.188 0.775 1.00 0.00 H new ATOM 0 HA ASN A 114 7.125 -10.054 -1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 114 8.677 -10.616 -2.845 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.263 -9.233 -1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 114 12.383 -10.667 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.375 -9.230 -1.517 1.00 0.00 H new ATOM 1424 N THR A 115 7.350 -12.534 0.474 1.00 0.00 N ATOM 1425 CA THR A 115 7.014 -13.939 0.668 1.00 0.00 C ATOM 1426 C THR A 115 5.649 -14.258 0.070 1.00 0.00 C ATOM 1427 O THR A 115 5.488 -15.254 -0.637 1.00 0.00 O ATOM 1428 CB THR A 115 7.031 -14.329 2.160 1.00 0.00 C ATOM 1429 OG1 THR A 115 6.638 -15.698 2.313 1.00 0.00 O ATOM 1430 CG2 THR A 115 6.104 -13.439 2.972 1.00 0.00 C ATOM 0 H THR A 115 7.268 -11.959 1.312 1.00 0.00 H new ATOM 0 HA THR A 115 7.776 -14.524 0.153 1.00 0.00 H new ATOM 0 HB THR A 115 8.047 -14.196 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 115 6.653 -15.938 3.263 1.00 0.00 H new ATOM 0 HG21 THR A 115 6.138 -13.738 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.424 -12.401 2.881 1.00 0.00 H new ATOM 0 HG23 THR A 115 5.085 -13.539 2.599 1.00 0.00 H new ATOM 1438 N ASN A 116 4.669 -13.403 0.349 1.00 0.00 N ATOM 1439 CA ASN A 116 3.320 -13.591 -0.172 1.00 0.00 C ATOM 1440 C ASN A 116 3.089 -12.702 -1.392 1.00 0.00 C ATOM 1441 O ASN A 116 3.461 -11.528 -1.393 1.00 0.00 O ATOM 1442 CB ASN A 116 2.280 -13.282 0.906 1.00 0.00 C ATOM 1443 CG ASN A 116 0.877 -13.624 0.454 1.00 0.00 C ATOM 1444 OD1 ASN A 116 0.415 -13.139 -0.577 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.192 -14.462 1.223 1.00 0.00 N ATOM 0 H ASN A 116 4.784 -12.574 0.932 1.00 0.00 H new ATOM 0 HA ASN A 116 3.213 -14.633 -0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.517 -13.843 1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 116 2.330 -12.224 1.165 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -0.759 -14.728 0.967 1.00 0.00 H new ATOM 0 HD22 ASN A 116 0.617 -14.840 2.070 1.00 0.00 H new ATOM 1452 N HIS A 117 2.480 -13.267 -2.431 1.00 0.00 N ATOM 1453 CA HIS A 117 2.210 -12.519 -3.658 1.00 0.00 C ATOM 1454 C HIS A 117 0.711 -12.421 -3.934 1.00 0.00 C ATOM 1455 O HIS A 117 0.205 -11.352 -4.277 1.00 0.00 O ATOM 1456 CB HIS A 117 2.912 -13.178 -4.849 1.00 0.00 C ATOM 1457 CG HIS A 117 4.409 -13.181 -4.751 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.222 -13.756 -5.705 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.241 -12.673 -3.810 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.486 -13.602 -5.356 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.525 -12.949 -4.211 1.00 0.00 N ATOM 0 H HIS A 117 2.165 -14.237 -2.449 1.00 0.00 H new ATOM 0 HA HIS A 117 2.599 -11.510 -3.521 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.562 -14.206 -4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.619 -12.660 -5.762 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.949 -12.149 -2.912 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.342 -13.951 -5.914 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.372 -12.691 -3.705 1.00 0.00 H new ATOM 1470 N THR A 118 0.010 -13.542 -3.796 1.00 0.00 N ATOM 1471 CA THR A 118 -1.428 -13.582 -4.044 1.00 0.00 C ATOM 1472 C THR A 118 -2.187 -12.611 -3.144 1.00 0.00 C ATOM 1473 O THR A 118 -3.031 -11.849 -3.615 1.00 0.00 O ATOM 1474 CB THR A 118 -1.993 -14.999 -3.840 1.00 0.00 C ATOM 1475 OG1 THR A 118 -1.716 -15.452 -2.510 1.00 0.00 O ATOM 1476 CG2 THR A 118 -1.394 -15.967 -4.848 1.00 0.00 C ATOM 0 H THR A 118 0.414 -14.435 -3.514 1.00 0.00 H new ATOM 0 HA THR A 118 -1.568 -13.283 -5.083 1.00 0.00 H new ATOM 0 HB THR A 118 -3.072 -14.963 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.081 -16.354 -2.389 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.807 -16.963 -4.686 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.633 -15.635 -5.858 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.312 -15.998 -4.723 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.886 -12.646 -1.851 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.545 -11.772 -0.887 1.00 0.00 C ATOM 1486 C GLN A 119 -2.356 -10.305 -1.259 1.00 0.00 C ATOM 1487 O GLN A 119 -3.291 -9.510 -1.170 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.998 -12.029 0.518 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.661 -11.190 1.593 1.00 0.00 C ATOM 1490 CD GLN A 119 -4.145 -11.475 1.726 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.966 -10.459 1.496 1.00 0.00 O flip ATOM 1492 NE2 GLN A 119 -4.547 -12.598 2.030 1.00 0.00 N flip ATOM 0 H GLN A 119 -1.189 -13.271 -1.445 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.612 -11.994 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -2.127 -13.084 0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.926 -11.830 0.523 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.172 -11.379 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.517 -10.134 1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -3.879 -13.351 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.548 -12.776 2.114 1.00 0.00 H new ATOM 1501 N VAL A 120 -1.142 -9.950 -1.674 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.838 -8.575 -2.056 1.00 0.00 C ATOM 1503 C VAL A 120 -1.733 -8.111 -3.202 1.00 0.00 C ATOM 1504 O VAL A 120 -2.294 -7.017 -3.159 1.00 0.00 O ATOM 1505 CB VAL A 120 0.639 -8.417 -2.474 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.912 -7.000 -2.957 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.565 -8.779 -1.321 1.00 0.00 C ATOM 0 H VAL A 120 -0.355 -10.594 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.026 -7.956 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 120 0.836 -9.102 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.959 -6.910 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.277 -6.780 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.695 -6.294 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.602 -8.661 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.366 -8.122 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.391 -9.814 -1.026 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.858 -8.949 -4.226 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.671 -8.639 -5.381 1.00 0.00 C ATOM 1519 C GLN A 121 -4.146 -8.512 -5.005 1.00 0.00 C ATOM 1520 O GLN A 121 -4.828 -7.580 -5.433 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.487 -9.734 -6.426 1.00 0.00 C ATOM 1522 CG GLN A 121 -3.259 -9.475 -7.694 1.00 0.00 C ATOM 1523 CD GLN A 121 -3.083 -10.570 -8.727 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -3.411 -11.730 -8.480 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -2.559 -10.207 -9.891 1.00 0.00 N ATOM 0 H GLN A 121 -1.397 -9.858 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.352 -7.679 -5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.427 -9.826 -6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.803 -10.688 -6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.318 -9.375 -7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -2.938 -8.525 -8.121 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -2.301 -9.233 -10.053 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -2.414 -10.902 -10.624 1.00 0.00 H new ATOM 1534 N SER A 122 -4.631 -9.459 -4.209 1.00 0.00 N ATOM 1535 CA SER A 122 -6.026 -9.465 -3.779 1.00 0.00 C ATOM 1536 C SER A 122 -6.361 -8.223 -2.958 1.00 0.00 C ATOM 1537 O SER A 122 -7.450 -7.664 -3.082 1.00 0.00 O ATOM 1538 CB SER A 122 -6.321 -10.723 -2.961 1.00 0.00 C ATOM 1539 OG SER A 122 -6.082 -11.894 -3.721 1.00 0.00 O ATOM 0 H SER A 122 -4.077 -10.235 -3.847 1.00 0.00 H new ATOM 0 HA SER A 122 -6.650 -9.460 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.698 -10.733 -2.067 1.00 0.00 H new ATOM 0 HB3 SER A 122 -7.358 -10.708 -2.627 1.00 0.00 H new ATOM 0 HG SER A 122 -5.116 -12.035 -3.810 1.00 0.00 H new ATOM 1545 N THR A 123 -5.422 -7.803 -2.115 1.00 0.00 N ATOM 1546 CA THR A 123 -5.622 -6.634 -1.266 1.00 0.00 C ATOM 1547 C THR A 123 -6.034 -5.414 -2.084 1.00 0.00 C ATOM 1548 O THR A 123 -6.967 -4.700 -1.718 1.00 0.00 O ATOM 1549 CB THR A 123 -4.348 -6.295 -0.467 1.00 0.00 C ATOM 1550 OG1 THR A 123 -3.977 -7.406 0.357 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.564 -5.066 0.403 1.00 0.00 C ATOM 0 H THR A 123 -4.515 -8.255 -2.002 1.00 0.00 H new ATOM 0 HA THR A 123 -6.424 -6.886 -0.572 1.00 0.00 H new ATOM 0 HB THR A 123 -3.548 -6.083 -1.176 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.509 -8.074 -0.186 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.651 -4.847 0.957 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.819 -4.214 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.377 -5.255 1.104 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.333 -5.179 -3.189 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.629 -4.042 -4.054 1.00 0.00 C ATOM 1561 C LEU A 124 -7.104 -4.016 -4.442 1.00 0.00 C ATOM 1562 O LEU A 124 -7.740 -2.961 -4.436 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.760 -4.087 -5.313 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.253 -3.972 -5.070 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.495 -4.053 -6.387 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -2.925 -2.676 -4.344 1.00 0.00 C ATOM 0 H LEU A 124 -4.557 -5.760 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.403 -3.132 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.957 -5.022 -5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.067 -3.279 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.941 -4.805 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.425 -3.970 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.704 -5.008 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.812 -3.240 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.849 -2.613 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.251 -1.829 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.440 -2.657 -3.383 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.644 -5.183 -4.776 1.00 0.00 N ATOM 1579 CA ILE A 125 -9.045 -5.296 -5.165 1.00 0.00 C ATOM 1580 C ILE A 125 -9.967 -4.900 -4.013 1.00 0.00 C ATOM 1581 O ILE A 125 -10.989 -4.246 -4.221 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.389 -6.728 -5.619 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.452 -7.166 -6.747 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.842 -6.804 -6.069 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.691 -8.584 -7.221 1.00 0.00 C ATOM 0 H ILE A 125 -7.132 -6.065 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.199 -4.614 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.254 -7.406 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.570 -6.486 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.421 -7.075 -6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -11.072 -7.821 -6.387 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.494 -6.527 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -11.001 -6.119 -6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.990 -8.823 -8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.544 -9.275 -6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.711 -8.676 -7.593 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.599 -5.307 -2.801 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.393 -5.001 -1.615 1.00 0.00 C ATOM 1599 C ALA A 126 -10.537 -3.496 -1.415 1.00 0.00 C ATOM 1600 O ALA A 126 -11.639 -2.992 -1.195 1.00 0.00 O ATOM 1601 CB ALA A 126 -9.768 -5.642 -0.386 1.00 0.00 C ATOM 0 H ALA A 126 -8.756 -5.850 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.391 -5.414 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.369 -5.407 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -9.728 -6.723 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.758 -5.256 -0.248 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.418 -2.781 -1.499 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.419 -1.334 -1.335 1.00 0.00 C ATOM 1609 C LEU A 127 -10.318 -0.672 -2.370 1.00 0.00 C ATOM 1610 O LEU A 127 -11.052 0.265 -2.061 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.995 -0.788 -1.458 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.109 -0.960 -0.221 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -7.642 -0.128 0.936 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.999 -2.425 0.176 1.00 0.00 C ATOM 0 H LEU A 127 -8.498 -3.183 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.807 -1.104 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.509 -1.279 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -8.052 0.274 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.109 -0.606 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -7.000 -0.262 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -7.653 0.924 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.655 -0.449 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.364 -2.516 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -7.991 -2.816 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.563 -2.993 -0.646 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.251 -1.171 -3.597 1.00 0.00 N ATOM 1627 CA ALA A 128 -11.056 -0.638 -4.689 1.00 0.00 C ATOM 1628 C ALA A 128 -12.539 -0.677 -4.338 1.00 0.00 C ATOM 1629 O ALA A 128 -13.279 0.265 -4.623 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.793 -1.416 -5.969 1.00 0.00 C ATOM 0 H ALA A 128 -9.645 -1.947 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.771 0.402 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.401 -1.006 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.739 -1.336 -6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.050 -2.464 -5.817 1.00 0.00 H new ATOM 1636 N SER A 129 -12.963 -1.771 -3.716 1.00 0.00 N ATOM 1637 CA SER A 129 -14.356 -1.934 -3.320 1.00 0.00 C ATOM 1638 C SER A 129 -14.768 -0.848 -2.332 1.00 0.00 C ATOM 1639 O SER A 129 -15.873 -0.311 -2.410 1.00 0.00 O ATOM 1640 CB SER A 129 -14.574 -3.315 -2.699 1.00 0.00 C ATOM 1641 OG SER A 129 -15.924 -3.492 -2.306 1.00 0.00 O ATOM 0 H SER A 129 -12.361 -2.559 -3.475 1.00 0.00 H new ATOM 0 HA SER A 129 -14.976 -1.844 -4.212 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.297 -4.087 -3.417 1.00 0.00 H new ATOM 0 HB3 SER A 129 -13.922 -3.435 -1.834 1.00 0.00 H new ATOM 0 HG SER A 129 -16.036 -4.383 -1.914 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.871 -0.528 -1.404 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.131 0.491 -0.403 1.00 0.00 C ATOM 1649 C GLN A 130 -14.202 1.878 -1.029 1.00 0.00 C ATOM 1650 O GLN A 130 -15.172 2.610 -0.840 1.00 0.00 O ATOM 1651 CB GLN A 130 -13.037 0.459 0.652 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.324 -0.476 1.821 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.484 -1.927 1.407 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.317 -2.261 0.566 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -12.691 -2.800 2.016 1.00 0.00 N ATOM 0 H GLN A 130 -12.953 -0.966 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.096 0.279 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.102 0.157 0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.889 1.468 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.513 -0.400 2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -14.233 -0.147 2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -12.014 -2.478 2.708 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -12.759 -3.793 1.792 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.160 2.227 -1.771 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.078 3.521 -2.430 1.00 0.00 C ATOM 1666 C ALA A 131 -14.264 3.751 -3.361 1.00 0.00 C ATOM 1667 O ALA A 131 -14.773 4.868 -3.469 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.769 3.622 -3.194 1.00 0.00 C ATOM 0 H ALA A 131 -12.353 1.625 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.110 4.298 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.709 4.592 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -10.934 3.515 -2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.723 2.831 -3.943 1.00 0.00 H new ATOM 1674 N LYS A 132 -14.700 2.690 -4.030 1.00 0.00 N ATOM 1675 CA LYS A 132 -15.815 2.761 -4.947 1.00 0.00 C ATOM 1676 C LYS A 132 -17.077 3.262 -4.251 1.00 0.00 C ATOM 1677 O LYS A 132 -17.746 4.173 -4.739 1.00 0.00 O ATOM 1678 CB LYS A 132 -16.057 1.378 -5.545 1.00 0.00 C ATOM 1679 CG LYS A 132 -17.298 1.310 -6.398 1.00 0.00 C ATOM 1680 CD LYS A 132 -17.490 -0.061 -7.033 1.00 0.00 C ATOM 1681 CE LYS A 132 -16.427 -0.363 -8.082 1.00 0.00 C ATOM 1682 NZ LYS A 132 -15.068 -0.501 -7.489 1.00 0.00 N ATOM 0 H LYS A 132 -14.287 1.761 -3.947 1.00 0.00 H new ATOM 0 HA LYS A 132 -15.572 3.471 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -15.194 1.093 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -16.138 0.649 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -18.169 1.550 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -17.239 2.066 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -17.460 -0.826 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -18.477 -0.112 -7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -16.687 -1.283 -8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -16.417 0.434 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -14.546 -1.249 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -14.556 0.399 -7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -15.152 -0.750 -6.483 1.00 0.00 H new