USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=18 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 : amide:sc= -0.0324 X(o=0.38,f=0.26) USER MOD Set 1.2: A 123 THR OG1 : rot 66:sc= 0.415 USER MOD Set 2.1: A 115 THR OG1 : rot 89:sc= -1.56! USER MOD Set 2.2: A 116 ASN : amide:sc= 0.959 K(o=-0.6,f=-1.9) USER MOD Set 3.1: A 80 GLN : amide:sc= 0.503 K(o=-2.6,f=-4.8!) USER MOD Set 3.2: A 83 HIS :FLIP no HD1:sc= -3.12! F(o=-3.2,f=-2.6!) USER MOD Set 4.1: A 61 CYS SG : rot -70:sc= -6.53! USER MOD Set 4.2: A 65 ASN : amide:sc= -1 K(o=-7.5,f=-16!) USER MOD Set 5.1: A 55 LYS NZ :NH3+ -106:sc= 0.254 (180deg=0) USER MOD Set 5.2: A 114 ASN :FLIP amide:sc= -1.56 F(o=-6!,f=-1.3) USER MOD Single : A 33 GLN : amide:sc= -0.994 K(o=-0.99,f=-3.3!) USER MOD Single : A 42 THR OG1 : rot -80:sc= -0.876 USER MOD Single : A 49 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.6) USER MOD Single : A 51 MET CE :methyl -170:sc= -2.31! (180deg=-2.92!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 71 SER OG : rot 62:sc= -2.24! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.386 F(o=-2.6!,f=-0.39) USER MOD Single : A 81 ASN : amide:sc= -0.597 X(o=-0.6,f=-1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.417 K(o=-0.42,f=-3!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.144 F(o=-0.98,f=-0.14) USER MOD Single : A 96 LYS NZ :NH3+ -134:sc= -4.13! (180deg=-7.21!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.044 (180deg=-0.275) USER MOD Single : A 103 HIS : no HD1:sc=-0.00085 X(o=-0.00085,f=-0.00085) USER MOD Single : A 109 ASN : amide:sc= -0.326 K(o=-0.33,f=-3.1!) USER MOD Single : A 117 HIS : no HD1:sc= 0.00226 K(o=0.0023,f=-2) USER MOD Single : A 118 THR OG1 : rot 180:sc=-0.00453 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 71:sc= 0.0465 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 33 -6.078 -2.761 -14.025 1.00 0.00 N ATOM 105 CA GLN A 33 -6.902 -1.789 -13.315 1.00 0.00 C ATOM 106 C GLN A 33 -6.203 -1.293 -12.052 1.00 0.00 C ATOM 107 O GLN A 33 -6.302 -0.119 -11.698 1.00 0.00 O ATOM 108 CB GLN A 33 -8.257 -2.402 -12.956 1.00 0.00 C ATOM 109 CG GLN A 33 -9.079 -2.821 -14.165 1.00 0.00 C ATOM 110 CD GLN A 33 -9.446 -1.653 -15.061 1.00 0.00 C ATOM 111 OE1 GLN A 33 -8.576 -0.979 -15.615 1.00 0.00 O ATOM 112 NE2 GLN A 33 -10.742 -1.405 -15.208 1.00 0.00 N ATOM 0 HA GLN A 33 -7.060 -0.937 -13.976 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.095 -3.272 -12.319 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.828 -1.681 -12.372 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.517 -3.554 -14.744 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.991 -3.313 -13.826 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.430 -1.988 -14.731 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.050 -0.632 -15.798 1.00 0.00 H new ATOM 121 N LEU A 34 -5.507 -2.198 -11.370 1.00 0.00 N ATOM 122 CA LEU A 34 -4.801 -1.859 -10.136 1.00 0.00 C ATOM 123 C LEU A 34 -3.741 -0.785 -10.368 1.00 0.00 C ATOM 124 O LEU A 34 -3.691 0.213 -9.649 1.00 0.00 O ATOM 125 CB LEU A 34 -4.145 -3.110 -9.546 1.00 0.00 C ATOM 126 CG LEU A 34 -5.110 -4.223 -9.133 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.340 -5.458 -8.691 1.00 0.00 C ATOM 128 CD2 LEU A 34 -6.032 -3.746 -8.021 1.00 0.00 C ATOM 0 H LEU A 34 -5.416 -3.174 -11.651 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.535 -1.462 -9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.445 -3.512 -10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.561 -2.816 -8.674 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.720 -4.486 -9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.042 -6.240 -8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.720 -5.814 -9.514 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.705 -5.206 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.711 -4.551 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.437 -3.455 -7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.609 -2.889 -8.369 1.00 0.00 H new ATOM 140 N ARG A 35 -2.885 -1.000 -11.364 1.00 0.00 N ATOM 141 CA ARG A 35 -1.818 -0.052 -11.672 1.00 0.00 C ATOM 142 C ARG A 35 -2.376 1.309 -12.084 1.00 0.00 C ATOM 143 O ARG A 35 -1.927 2.345 -11.596 1.00 0.00 O ATOM 144 CB ARG A 35 -0.914 -0.609 -12.776 1.00 0.00 C ATOM 145 CG ARG A 35 -1.657 -0.973 -14.051 1.00 0.00 C ATOM 146 CD ARG A 35 -0.719 -1.549 -15.100 1.00 0.00 C ATOM 147 NE ARG A 35 0.309 -0.593 -15.506 1.00 0.00 N ATOM 148 CZ ARG A 35 0.048 0.560 -16.118 1.00 0.00 C ATOM 149 NH1 ARG A 35 -1.203 0.895 -16.407 1.00 0.00 N ATOM 150 NH2 ARG A 35 1.039 1.375 -16.445 1.00 0.00 N ATOM 0 H ARG A 35 -2.909 -1.820 -11.970 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.230 0.090 -10.765 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.147 0.129 -13.011 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.400 -1.494 -12.400 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.438 -1.698 -13.823 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.151 -0.087 -14.451 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.243 -2.446 -14.705 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.296 -1.852 -15.974 1.00 0.00 H new ATOM 0 HE ARG A 35 1.283 -0.823 -15.309 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.969 0.268 -16.160 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.399 1.779 -16.876 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.002 1.119 -16.228 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.839 2.258 -16.914 1.00 0.00 H new ATOM 164 N VAL A 36 -3.355 1.302 -12.982 1.00 0.00 N ATOM 165 CA VAL A 36 -3.968 2.540 -13.455 1.00 0.00 C ATOM 166 C VAL A 36 -4.668 3.281 -12.318 1.00 0.00 C ATOM 167 O VAL A 36 -4.635 4.510 -12.249 1.00 0.00 O ATOM 168 CB VAL A 36 -4.984 2.270 -14.583 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.649 3.563 -15.031 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.306 1.579 -15.757 1.00 0.00 C ATOM 0 H VAL A 36 -3.742 0.454 -13.397 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.162 3.162 -13.845 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.758 1.608 -14.195 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.362 3.349 -15.827 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.172 4.014 -14.188 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.890 4.254 -15.399 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.038 1.396 -16.544 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.510 2.215 -16.143 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.884 0.630 -15.426 1.00 0.00 H new ATOM 180 N TRP A 37 -5.310 2.523 -11.436 1.00 0.00 N ATOM 181 CA TRP A 37 -6.032 3.097 -10.305 1.00 0.00 C ATOM 182 C TRP A 37 -5.100 3.856 -9.357 1.00 0.00 C ATOM 183 O TRP A 37 -5.225 5.070 -9.194 1.00 0.00 O ATOM 184 CB TRP A 37 -6.782 1.982 -9.553 1.00 0.00 C ATOM 185 CG TRP A 37 -6.831 2.157 -8.059 1.00 0.00 C ATOM 186 CD1 TRP A 37 -7.112 3.299 -7.365 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.587 1.144 -7.076 1.00 0.00 C ATOM 188 NE1 TRP A 37 -7.027 3.065 -6.016 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.720 1.747 -5.813 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.265 -0.215 -7.142 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.541 1.041 -4.626 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.090 -0.916 -5.965 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.230 -0.288 -4.721 1.00 0.00 C ATOM 0 H TRP A 37 -5.345 1.505 -11.483 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.750 3.820 -10.692 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.802 1.928 -9.933 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.307 1.027 -9.778 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.365 4.249 -7.813 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.169 3.760 -5.283 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.155 -0.708 -8.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.644 1.525 -3.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.841 -1.966 -6.005 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.090 -0.864 -3.819 1.00 0.00 H new ATOM 204 N ILE A 38 -4.195 3.132 -8.710 1.00 0.00 N ATOM 205 CA ILE A 38 -3.275 3.735 -7.751 1.00 0.00 C ATOM 206 C ILE A 38 -2.395 4.804 -8.393 1.00 0.00 C ATOM 207 O ILE A 38 -2.327 5.931 -7.902 1.00 0.00 O ATOM 208 CB ILE A 38 -2.393 2.661 -7.091 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.262 1.674 -6.308 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.353 3.303 -6.184 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.499 0.483 -5.771 1.00 0.00 C ATOM 0 H ILE A 38 -4.078 2.126 -8.831 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.886 4.218 -6.988 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.866 2.114 -7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.732 2.198 -5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.064 1.318 -6.954 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.740 2.526 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.719 3.968 -6.771 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.854 3.875 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.181 -0.171 -5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.052 -0.066 -6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.714 0.827 -5.098 1.00 0.00 H new ATOM 223 N GLU A 39 -1.730 4.458 -9.491 1.00 0.00 N ATOM 224 CA GLU A 39 -0.868 5.413 -10.182 1.00 0.00 C ATOM 225 C GLU A 39 -1.674 6.618 -10.654 1.00 0.00 C ATOM 226 O GLU A 39 -1.203 7.751 -10.598 1.00 0.00 O ATOM 227 CB GLU A 39 -0.165 4.755 -11.372 1.00 0.00 C ATOM 228 CG GLU A 39 0.921 3.770 -10.970 1.00 0.00 C ATOM 229 CD GLU A 39 1.586 3.114 -12.164 1.00 0.00 C ATOM 230 OE1 GLU A 39 0.876 2.452 -12.948 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.817 3.262 -12.313 1.00 0.00 O ATOM 0 H GLU A 39 -1.770 3.533 -9.919 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.109 5.751 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.907 4.237 -11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.274 5.531 -11.998 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.675 4.289 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.489 3.000 -10.331 1.00 0.00 H new ATOM 238 N GLY A 40 -2.892 6.364 -11.116 1.00 0.00 N ATOM 239 CA GLY A 40 -3.749 7.435 -11.589 1.00 0.00 C ATOM 240 C GLY A 40 -4.177 8.380 -10.481 1.00 0.00 C ATOM 241 O GLY A 40 -4.339 9.579 -10.708 1.00 0.00 O ATOM 0 H GLY A 40 -3.303 5.432 -11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.225 8.000 -12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.635 7.005 -12.056 1.00 0.00 H new ATOM 245 N ALA A 41 -4.375 7.835 -9.282 1.00 0.00 N ATOM 246 CA ALA A 41 -4.803 8.632 -8.136 1.00 0.00 C ATOM 247 C ALA A 41 -3.856 9.800 -7.875 1.00 0.00 C ATOM 248 O ALA A 41 -4.210 10.958 -8.091 1.00 0.00 O ATOM 249 CB ALA A 41 -4.903 7.754 -6.896 1.00 0.00 C ATOM 0 H ALA A 41 -4.245 6.844 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.785 9.045 -8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.223 8.358 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.629 6.960 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.929 7.315 -6.682 1.00 0.00 H new ATOM 255 N THR A 42 -2.656 9.486 -7.402 1.00 0.00 N ATOM 256 CA THR A 42 -1.658 10.509 -7.104 1.00 0.00 C ATOM 257 C THR A 42 -0.927 10.958 -8.364 1.00 0.00 C ATOM 258 O THR A 42 -0.631 12.142 -8.532 1.00 0.00 O ATOM 259 CB THR A 42 -0.628 10.003 -6.078 1.00 0.00 C ATOM 260 OG1 THR A 42 0.051 8.851 -6.592 1.00 0.00 O ATOM 261 CG2 THR A 42 -1.305 9.654 -4.760 1.00 0.00 C ATOM 0 H THR A 42 -2.349 8.531 -7.216 1.00 0.00 H new ATOM 0 HA THR A 42 -2.196 11.359 -6.683 1.00 0.00 H new ATOM 0 HB THR A 42 0.095 10.799 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.513 8.058 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.558 9.299 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.796 10.540 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.047 8.873 -4.928 1.00 0.00 H new ATOM 269 N GLY A 43 -0.630 10.004 -9.238 1.00 0.00 N ATOM 270 CA GLY A 43 0.075 10.313 -10.467 1.00 0.00 C ATOM 271 C GLY A 43 1.560 10.047 -10.347 1.00 0.00 C ATOM 272 O GLY A 43 2.381 10.854 -10.784 1.00 0.00 O ATOM 0 H GLY A 43 -0.866 9.019 -9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.336 9.716 -11.281 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.087 11.360 -10.725 1.00 0.00 H new ATOM 276 N ARG A 44 1.905 8.909 -9.749 1.00 0.00 N ATOM 277 CA ARG A 44 3.301 8.535 -9.562 1.00 0.00 C ATOM 278 C ARG A 44 3.536 7.083 -9.956 1.00 0.00 C ATOM 279 O ARG A 44 2.781 6.196 -9.559 1.00 0.00 O ATOM 280 CB ARG A 44 3.712 8.699 -8.099 1.00 0.00 C ATOM 281 CG ARG A 44 3.161 9.940 -7.426 1.00 0.00 C ATOM 282 CD ARG A 44 3.682 11.212 -8.072 1.00 0.00 C ATOM 283 NE ARG A 44 3.177 12.411 -7.408 1.00 0.00 N ATOM 284 CZ ARG A 44 3.485 13.648 -7.785 1.00 0.00 C ATOM 285 NH1 ARG A 44 4.293 13.849 -8.817 1.00 0.00 N ATOM 286 NH2 ARG A 44 2.984 14.686 -7.129 1.00 0.00 N ATOM 0 H ARG A 44 1.235 8.231 -9.386 1.00 0.00 H new ATOM 0 HA ARG A 44 3.896 9.191 -10.197 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.382 7.822 -7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.800 8.723 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.072 9.927 -7.476 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.432 9.931 -6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.772 11.213 -8.042 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.392 11.230 -9.122 1.00 0.00 H new ATOM 0 HE ARG A 44 2.553 12.292 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.680 13.053 -9.324 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.527 14.799 -9.104 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.362 14.535 -6.335 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.221 15.635 -7.419 1.00 0.00 H new ATOM 300 N ARG A 45 4.603 6.840 -10.705 1.00 0.00 N ATOM 301 CA ARG A 45 4.944 5.484 -11.106 1.00 0.00 C ATOM 302 C ARG A 45 5.553 4.749 -9.918 1.00 0.00 C ATOM 303 O ARG A 45 6.530 5.215 -9.329 1.00 0.00 O ATOM 304 CB ARG A 45 5.930 5.505 -12.277 1.00 0.00 C ATOM 305 CG ARG A 45 5.418 6.258 -13.495 1.00 0.00 C ATOM 306 CD ARG A 45 4.194 5.587 -14.097 1.00 0.00 C ATOM 307 NE ARG A 45 4.486 4.234 -14.562 1.00 0.00 N ATOM 308 CZ ARG A 45 3.590 3.446 -15.149 1.00 0.00 C ATOM 309 NH1 ARG A 45 2.351 3.876 -15.343 1.00 0.00 N ATOM 310 NH2 ARG A 45 3.934 2.227 -15.542 1.00 0.00 N ATOM 0 H ARG A 45 5.242 7.559 -11.045 1.00 0.00 H new ATOM 0 HA ARG A 45 4.041 4.967 -11.430 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.864 5.960 -11.946 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.160 4.479 -12.565 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.170 7.281 -13.213 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.207 6.316 -14.245 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.398 5.551 -13.354 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.825 6.185 -14.930 1.00 0.00 H new ATOM 0 HE ARG A 45 5.431 3.873 -14.429 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.083 4.813 -15.042 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.665 3.270 -15.793 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.886 1.893 -15.394 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.246 1.623 -15.992 1.00 0.00 H new ATOM 324 N ILE A 46 4.970 3.613 -9.556 1.00 0.00 N ATOM 325 CA ILE A 46 5.461 2.838 -8.424 1.00 0.00 C ATOM 326 C ILE A 46 6.941 2.502 -8.587 1.00 0.00 C ATOM 327 O ILE A 46 7.756 2.816 -7.719 1.00 0.00 O ATOM 328 CB ILE A 46 4.656 1.534 -8.249 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.186 1.854 -7.960 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.249 0.683 -7.134 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.303 0.629 -7.862 1.00 0.00 C ATOM 0 H ILE A 46 4.160 3.209 -10.027 1.00 0.00 H new ATOM 0 HA ILE A 46 5.333 3.454 -7.534 1.00 0.00 H new ATOM 0 HB ILE A 46 4.711 0.965 -9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.122 2.412 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.804 2.504 -8.747 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.667 -0.232 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.281 0.430 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.224 1.241 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.277 0.935 -7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.336 0.081 -8.803 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.659 -0.013 -7.056 1.00 0.00 H new ATOM 343 N GLY A 47 7.287 1.872 -9.707 1.00 0.00 N ATOM 344 CA GLY A 47 8.672 1.519 -9.959 1.00 0.00 C ATOM 345 C GLY A 47 8.816 0.298 -10.845 1.00 0.00 C ATOM 346 O GLY A 47 8.019 0.084 -11.758 1.00 0.00 O ATOM 0 H GLY A 47 6.634 1.601 -10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.178 2.363 -10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.173 1.334 -9.009 1.00 0.00 H new ATOM 350 N ASP A 48 9.838 -0.507 -10.568 1.00 0.00 N ATOM 351 CA ASP A 48 10.094 -1.720 -11.338 1.00 0.00 C ATOM 352 C ASP A 48 9.083 -2.808 -10.990 1.00 0.00 C ATOM 353 O ASP A 48 8.707 -2.967 -9.828 1.00 0.00 O ATOM 354 CB ASP A 48 11.515 -2.226 -11.075 1.00 0.00 C ATOM 355 CG ASP A 48 12.574 -1.214 -11.467 1.00 0.00 C ATOM 356 OD1 ASP A 48 12.206 -0.121 -11.946 1.00 0.00 O ATOM 357 OD2 ASP A 48 13.774 -1.516 -11.295 1.00 0.00 O ATOM 0 H ASP A 48 10.504 -0.340 -9.814 1.00 0.00 H new ATOM 0 HA ASP A 48 9.991 -1.478 -12.396 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.621 -2.467 -10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.677 -3.150 -11.630 1.00 0.00 H new ATOM 362 N ASN A 49 8.646 -3.552 -12.002 1.00 0.00 N ATOM 363 CA ASN A 49 7.679 -4.625 -11.801 1.00 0.00 C ATOM 364 C ASN A 49 6.387 -4.081 -11.191 1.00 0.00 C ATOM 365 O ASN A 49 5.769 -3.172 -11.747 1.00 0.00 O ATOM 366 CB ASN A 49 8.277 -5.718 -10.911 1.00 0.00 C ATOM 367 CG ASN A 49 9.533 -6.325 -11.505 1.00 0.00 C ATOM 368 OD1 ASN A 49 10.522 -5.632 -11.739 1.00 0.00 O ATOM 369 ND2 ASN A 49 9.498 -7.630 -11.753 1.00 0.00 N ATOM 0 H ASN A 49 8.947 -3.431 -12.969 1.00 0.00 H new ATOM 0 HA ASN A 49 7.439 -5.060 -12.771 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.507 -5.299 -9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.536 -6.502 -10.756 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.313 -8.095 -12.153 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.656 -8.167 -11.543 1.00 0.00 H new ATOM 376 N PHE A 50 5.980 -4.636 -10.052 1.00 0.00 N ATOM 377 CA PHE A 50 4.762 -4.195 -9.383 1.00 0.00 C ATOM 378 C PHE A 50 4.768 -4.610 -7.915 1.00 0.00 C ATOM 379 O PHE A 50 4.542 -3.787 -7.029 1.00 0.00 O ATOM 380 CB PHE A 50 3.534 -4.777 -10.088 1.00 0.00 C ATOM 381 CG PHE A 50 2.227 -4.324 -9.503 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.961 -2.975 -9.323 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.260 -5.247 -9.140 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.758 -2.557 -8.789 1.00 0.00 C ATOM 385 CE2 PHE A 50 0.054 -4.835 -8.605 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.196 -3.489 -8.430 1.00 0.00 C ATOM 0 H PHE A 50 6.475 -5.390 -9.575 1.00 0.00 H new ATOM 0 HA PHE A 50 4.720 -3.107 -9.432 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.566 -4.499 -11.141 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.583 -5.865 -10.044 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.703 -2.243 -9.604 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.451 -6.301 -9.277 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.564 -1.503 -8.652 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.691 -5.565 -8.325 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.138 -3.165 -8.012 1.00 0.00 H new ATOM 396 N MET A 51 5.036 -5.888 -7.663 1.00 0.00 N ATOM 397 CA MET A 51 5.078 -6.403 -6.299 1.00 0.00 C ATOM 398 C MET A 51 6.263 -5.803 -5.555 1.00 0.00 C ATOM 399 O MET A 51 6.123 -5.281 -4.448 1.00 0.00 O ATOM 400 CB MET A 51 5.194 -7.927 -6.308 1.00 0.00 C ATOM 401 CG MET A 51 4.264 -8.594 -7.304 1.00 0.00 C ATOM 402 SD MET A 51 2.531 -8.181 -7.030 1.00 0.00 S ATOM 403 CE MET A 51 2.291 -8.837 -5.385 1.00 0.00 C ATOM 0 H MET A 51 5.227 -6.584 -8.384 1.00 0.00 H new ATOM 0 HA MET A 51 4.154 -6.123 -5.793 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.222 -8.205 -6.539 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.978 -8.307 -5.309 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.548 -8.297 -8.314 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.389 -9.675 -7.243 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.229 -8.822 -5.139 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.658 -9.863 -5.345 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.839 -8.227 -4.667 1.00 0.00 H new ATOM 413 N ASP A 52 7.430 -5.876 -6.185 1.00 0.00 N ATOM 414 CA ASP A 52 8.656 -5.337 -5.608 1.00 0.00 C ATOM 415 C ASP A 52 8.550 -3.823 -5.447 1.00 0.00 C ATOM 416 O ASP A 52 9.119 -3.242 -4.523 1.00 0.00 O ATOM 417 CB ASP A 52 9.856 -5.691 -6.491 1.00 0.00 C ATOM 418 CG ASP A 52 11.173 -5.211 -5.911 1.00 0.00 C ATOM 419 OD1 ASP A 52 11.345 -3.983 -5.758 1.00 0.00 O ATOM 420 OD2 ASP A 52 12.033 -6.065 -5.608 1.00 0.00 O ATOM 0 H ASP A 52 7.553 -6.306 -7.102 1.00 0.00 H new ATOM 0 HA ASP A 52 8.800 -5.781 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.896 -6.772 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.717 -5.251 -7.479 1.00 0.00 H new ATOM 425 N GLY A 53 7.820 -3.186 -6.357 1.00 0.00 N ATOM 426 CA GLY A 53 7.654 -1.746 -6.298 1.00 0.00 C ATOM 427 C GLY A 53 6.921 -1.296 -5.048 1.00 0.00 C ATOM 428 O GLY A 53 7.315 -0.324 -4.409 1.00 0.00 O ATOM 0 H GLY A 53 7.341 -3.641 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.633 -1.269 -6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.105 -1.410 -7.178 1.00 0.00 H new ATOM 432 N LEU A 54 5.849 -2.005 -4.706 1.00 0.00 N ATOM 433 CA LEU A 54 5.045 -1.681 -3.528 1.00 0.00 C ATOM 434 C LEU A 54 5.884 -1.708 -2.250 1.00 0.00 C ATOM 435 O LEU A 54 5.567 -1.029 -1.274 1.00 0.00 O ATOM 436 CB LEU A 54 3.885 -2.672 -3.396 1.00 0.00 C ATOM 437 CG LEU A 54 2.931 -2.728 -4.594 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.919 -3.848 -4.415 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.220 -1.397 -4.777 1.00 0.00 C ATOM 0 H LEU A 54 5.514 -2.813 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 54 4.657 -0.671 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.297 -3.668 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.310 -2.416 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 54 3.518 -2.930 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.249 -3.874 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.442 -4.801 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.339 -3.673 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.548 -1.458 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.646 -1.165 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.956 -0.612 -4.950 1.00 0.00 H new ATOM 451 N LYS A 55 6.937 -2.518 -2.261 1.00 0.00 N ATOM 452 CA LYS A 55 7.816 -2.672 -1.102 1.00 0.00 C ATOM 453 C LYS A 55 8.259 -1.328 -0.522 1.00 0.00 C ATOM 454 O LYS A 55 8.250 -1.141 0.694 1.00 0.00 O ATOM 455 CB LYS A 55 9.049 -3.488 -1.489 1.00 0.00 C ATOM 456 CG LYS A 55 8.719 -4.806 -2.169 1.00 0.00 C ATOM 457 CD LYS A 55 9.978 -5.523 -2.627 1.00 0.00 C ATOM 458 CE LYS A 55 10.755 -6.087 -1.455 1.00 0.00 C ATOM 459 NZ LYS A 55 12.055 -6.677 -1.880 1.00 0.00 N ATOM 0 H LYS A 55 7.206 -3.084 -3.066 1.00 0.00 H new ATOM 0 HA LYS A 55 7.244 -3.192 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.674 -2.892 -2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.637 -3.688 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.165 -5.444 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.070 -4.623 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.710 -6.330 -3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.610 -4.831 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.936 -5.297 -0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.157 -6.849 -0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.993 -7.715 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.273 -6.375 -2.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.808 -6.354 -1.240 1.00 0.00 H new ATOM 473 N ASP A 56 8.668 -0.402 -1.387 1.00 0.00 N ATOM 474 CA ASP A 56 9.135 0.905 -0.930 1.00 0.00 C ATOM 475 C ASP A 56 8.070 1.635 -0.116 1.00 0.00 C ATOM 476 O ASP A 56 8.391 2.359 0.826 1.00 0.00 O ATOM 477 CB ASP A 56 9.592 1.772 -2.109 1.00 0.00 C ATOM 478 CG ASP A 56 8.493 2.045 -3.121 1.00 0.00 C ATOM 479 OD1 ASP A 56 7.349 1.604 -2.896 1.00 0.00 O ATOM 480 OD2 ASP A 56 8.781 2.708 -4.140 1.00 0.00 O ATOM 0 H ASP A 56 8.686 -0.530 -2.399 1.00 0.00 H new ATOM 0 HA ASP A 56 9.990 0.727 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.968 2.721 -1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.424 1.279 -2.612 1.00 0.00 H new ATOM 485 N GLY A 57 6.806 1.449 -0.485 1.00 0.00 N ATOM 486 CA GLY A 57 5.727 2.108 0.225 1.00 0.00 C ATOM 487 C GLY A 57 5.866 3.617 0.200 1.00 0.00 C ATOM 488 O GLY A 57 6.518 4.201 1.066 1.00 0.00 O ATOM 0 H GLY A 57 6.511 0.856 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.774 1.825 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.710 1.763 1.259 1.00 0.00 H new ATOM 492 N VAL A 58 5.252 4.250 -0.796 1.00 0.00 N ATOM 493 CA VAL A 58 5.308 5.700 -0.938 1.00 0.00 C ATOM 494 C VAL A 58 4.045 6.218 -1.609 1.00 0.00 C ATOM 495 O VAL A 58 3.338 7.060 -1.058 1.00 0.00 O ATOM 496 CB VAL A 58 6.518 6.149 -1.785 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.592 7.668 -1.841 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.815 5.571 -1.239 1.00 0.00 C ATOM 0 H VAL A 58 4.708 3.778 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 58 5.404 6.109 0.068 1.00 0.00 H new ATOM 0 HB VAL A 58 6.382 5.768 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.450 7.969 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.680 8.060 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.699 8.065 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.650 5.904 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.962 5.912 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.764 4.482 -1.256 1.00 0.00 H new ATOM 508 N ILE A 59 3.766 5.704 -2.804 1.00 0.00 N ATOM 509 CA ILE A 59 2.585 6.117 -3.545 1.00 0.00 C ATOM 510 C ILE A 59 1.325 5.605 -2.864 1.00 0.00 C ATOM 511 O ILE A 59 0.340 6.331 -2.740 1.00 0.00 O ATOM 512 CB ILE A 59 2.612 5.624 -5.007 1.00 0.00 C ATOM 513 CG1 ILE A 59 3.938 5.986 -5.690 1.00 0.00 C ATOM 514 CG2 ILE A 59 1.439 6.202 -5.785 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.510 7.326 -5.286 1.00 0.00 C ATOM 0 H ILE A 59 4.340 5.005 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 59 2.584 7.207 -3.556 1.00 0.00 H new ATOM 0 HB ILE A 59 2.524 4.538 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.670 5.211 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.789 5.980 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.473 5.844 -6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.504 5.886 -5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.498 7.290 -5.777 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.446 7.497 -5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.801 8.115 -5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.696 7.333 -4.212 1.00 0.00 H new ATOM 527 N LEU A 60 1.368 4.354 -2.407 1.00 0.00 N ATOM 528 CA LEU A 60 0.228 3.760 -1.718 1.00 0.00 C ATOM 529 C LEU A 60 -0.140 4.618 -0.520 1.00 0.00 C ATOM 530 O LEU A 60 -1.308 4.943 -0.309 1.00 0.00 O ATOM 531 CB LEU A 60 0.549 2.334 -1.270 1.00 0.00 C ATOM 532 CG LEU A 60 0.879 1.360 -2.403 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.140 -0.031 -1.846 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.249 1.329 -3.424 1.00 0.00 C ATOM 0 H LEU A 60 2.175 3.737 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.617 3.716 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.393 2.367 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.302 1.944 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 60 1.783 1.704 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.373 -0.713 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.981 0.006 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.253 -0.385 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.002 0.631 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.171 1.008 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.388 2.326 -3.843 1.00 0.00 H new ATOM 546 N CYS A 61 0.876 5.009 0.242 1.00 0.00 N ATOM 547 CA CYS A 61 0.681 5.865 1.397 1.00 0.00 C ATOM 548 C CYS A 61 -0.018 7.149 0.969 1.00 0.00 C ATOM 549 O CYS A 61 -0.950 7.615 1.621 1.00 0.00 O ATOM 550 CB CYS A 61 2.031 6.179 2.044 1.00 0.00 C ATOM 551 SG CYS A 61 2.051 7.705 3.011 1.00 0.00 S ATOM 0 H CYS A 61 1.846 4.743 0.076 1.00 0.00 H new ATOM 0 HA CYS A 61 0.057 5.352 2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.313 5.348 2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.789 6.247 1.263 1.00 0.00 H new ATOM 0 HG CYS A 61 1.967 8.727 2.211 1.00 0.00 H new ATOM 557 N GLU A 62 0.437 7.701 -0.149 1.00 0.00 N ATOM 558 CA GLU A 62 -0.130 8.913 -0.703 1.00 0.00 C ATOM 559 C GLU A 62 -1.585 8.700 -1.116 1.00 0.00 C ATOM 560 O GLU A 62 -2.417 9.598 -0.990 1.00 0.00 O ATOM 561 CB GLU A 62 0.705 9.337 -1.904 1.00 0.00 C ATOM 562 CG GLU A 62 2.107 9.777 -1.529 1.00 0.00 C ATOM 563 CD GLU A 62 2.121 11.059 -0.721 1.00 0.00 C ATOM 564 OE1 GLU A 62 1.639 12.090 -1.236 1.00 0.00 O ATOM 565 OE2 GLU A 62 2.612 11.033 0.426 1.00 0.00 O ATOM 0 H GLU A 62 1.210 7.317 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.116 9.696 0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.767 8.506 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.200 10.154 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.591 8.986 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.694 9.918 -2.436 1.00 0.00 H new ATOM 572 N LEU A 63 -1.878 7.503 -1.616 1.00 0.00 N ATOM 573 CA LEU A 63 -3.221 7.155 -2.062 1.00 0.00 C ATOM 574 C LEU A 63 -4.199 7.056 -0.894 1.00 0.00 C ATOM 575 O LEU A 63 -5.279 7.645 -0.932 1.00 0.00 O ATOM 576 CB LEU A 63 -3.182 5.829 -2.824 1.00 0.00 C ATOM 577 CG LEU A 63 -4.545 5.214 -3.125 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.392 6.160 -3.962 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.383 3.876 -3.828 1.00 0.00 C ATOM 0 H LEU A 63 -1.196 6.752 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.573 7.950 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.655 5.984 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.598 5.113 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.059 5.046 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.359 5.700 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.540 7.093 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.884 6.366 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.366 3.452 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.846 4.020 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.821 3.195 -3.189 1.00 0.00 H new ATOM 591 N ILE A 64 -3.825 6.299 0.133 1.00 0.00 N ATOM 592 CA ILE A 64 -4.688 6.121 1.296 1.00 0.00 C ATOM 593 C ILE A 64 -4.988 7.453 1.973 1.00 0.00 C ATOM 594 O ILE A 64 -6.098 7.673 2.448 1.00 0.00 O ATOM 595 CB ILE A 64 -4.079 5.141 2.319 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.034 4.928 3.492 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.730 5.642 2.811 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.359 4.313 3.094 1.00 0.00 C ATOM 0 H ILE A 64 -2.936 5.802 0.184 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.622 5.695 0.929 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.925 4.183 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.552 4.286 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.219 5.886 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.320 4.934 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.047 5.737 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.855 6.614 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.984 4.192 3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.863 4.965 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.185 3.339 2.636 1.00 0.00 H new ATOM 610 N ASN A 65 -4.004 8.347 2.007 1.00 0.00 N ATOM 611 CA ASN A 65 -4.199 9.658 2.620 1.00 0.00 C ATOM 612 C ASN A 65 -5.343 10.402 1.941 1.00 0.00 C ATOM 613 O ASN A 65 -6.039 11.200 2.569 1.00 0.00 O ATOM 614 CB ASN A 65 -2.917 10.492 2.554 1.00 0.00 C ATOM 615 CG ASN A 65 -1.871 10.030 3.549 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.130 9.968 4.751 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.680 9.714 3.057 1.00 0.00 N ATOM 0 H ASN A 65 -3.073 8.191 1.622 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.453 9.502 3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.504 10.438 1.547 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.158 11.538 2.744 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.064 9.405 3.682 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.509 9.780 2.054 1.00 0.00 H new ATOM 624 N LYS A 66 -5.536 10.131 0.653 1.00 0.00 N ATOM 625 CA LYS A 66 -6.590 10.760 -0.115 1.00 0.00 C ATOM 626 C LYS A 66 -7.955 10.271 0.351 1.00 0.00 C ATOM 627 O LYS A 66 -8.847 11.065 0.653 1.00 0.00 O ATOM 628 CB LYS A 66 -6.403 10.437 -1.595 1.00 0.00 C ATOM 629 CG LYS A 66 -5.063 10.870 -2.161 1.00 0.00 C ATOM 630 CD LYS A 66 -4.855 12.367 -2.017 1.00 0.00 C ATOM 631 CE LYS A 66 -3.559 12.805 -2.670 1.00 0.00 C ATOM 632 NZ LYS A 66 -3.334 14.270 -2.537 1.00 0.00 N ATOM 0 H LYS A 66 -4.967 9.473 0.121 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.539 11.839 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.515 9.362 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.198 10.919 -2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.261 10.339 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.005 10.593 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.692 12.898 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.842 12.635 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.726 12.268 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.576 12.535 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.437 14.527 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.116 14.784 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.292 14.525 -1.530 1.00 0.00 H new ATOM 646 N LEU A 67 -8.104 8.954 0.403 1.00 0.00 N ATOM 647 CA LEU A 67 -9.353 8.333 0.827 1.00 0.00 C ATOM 648 C LEU A 67 -9.596 8.566 2.314 1.00 0.00 C ATOM 649 O LEU A 67 -10.635 9.092 2.711 1.00 0.00 O ATOM 650 CB LEU A 67 -9.304 6.832 0.537 1.00 0.00 C ATOM 651 CG LEU A 67 -8.925 6.465 -0.899 1.00 0.00 C ATOM 652 CD1 LEU A 67 -8.778 4.957 -1.042 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.960 6.997 -1.880 1.00 0.00 C ATOM 0 H LEU A 67 -7.370 8.291 0.155 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.173 8.786 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.588 6.369 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.280 6.401 0.761 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.966 6.928 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.508 4.714 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.998 4.602 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.722 4.474 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.672 6.725 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.934 6.565 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.016 8.082 -1.797 1.00 0.00 H new ATOM 665 N GLN A 68 -8.625 8.166 3.129 1.00 0.00 N ATOM 666 CA GLN A 68 -8.721 8.324 4.573 1.00 0.00 C ATOM 667 C GLN A 68 -7.815 9.456 5.059 1.00 0.00 C ATOM 668 O GLN A 68 -6.662 9.567 4.642 1.00 0.00 O ATOM 669 CB GLN A 68 -8.345 7.019 5.276 1.00 0.00 C ATOM 670 CG GLN A 68 -8.567 7.054 6.780 1.00 0.00 C ATOM 671 CD GLN A 68 -8.089 5.795 7.483 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.552 4.848 6.721 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -8.202 5.677 8.704 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.760 7.729 2.811 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.753 8.577 4.818 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.930 6.204 4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.297 6.797 5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.047 7.916 7.198 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.629 7.194 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.620 6.428 9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.877 4.828 9.167 1.00 0.00 H new ATOM 682 N PRO A 69 -8.333 10.314 5.953 1.00 0.00 N ATOM 683 CA PRO A 69 -7.582 11.442 6.506 1.00 0.00 C ATOM 684 C PRO A 69 -6.499 11.010 7.491 1.00 0.00 C ATOM 685 O PRO A 69 -6.736 10.172 8.362 1.00 0.00 O ATOM 686 CB PRO A 69 -8.656 12.255 7.225 1.00 0.00 C ATOM 687 CG PRO A 69 -9.701 11.271 7.586 1.00 0.00 C ATOM 688 CD PRO A 69 -9.697 10.244 6.494 1.00 0.00 C ATOM 0 HA PRO A 69 -7.049 11.990 5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.253 12.746 8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.056 13.038 6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.489 10.814 8.552 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.677 11.750 7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.924 9.250 6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.442 10.468 5.731 1.00 0.00 H new ATOM 696 N GLY A 70 -5.311 11.596 7.352 1.00 0.00 N ATOM 697 CA GLY A 70 -4.206 11.268 8.240 1.00 0.00 C ATOM 698 C GLY A 70 -3.897 9.785 8.273 1.00 0.00 C ATOM 699 O GLY A 70 -3.726 9.203 9.345 1.00 0.00 O ATOM 0 H GLY A 70 -5.094 12.293 6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.317 11.812 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.444 11.607 9.248 1.00 0.00 H new ATOM 703 N SER A 71 -3.829 9.171 7.098 1.00 0.00 N ATOM 704 CA SER A 71 -3.543 7.744 6.993 1.00 0.00 C ATOM 705 C SER A 71 -2.096 7.435 7.368 1.00 0.00 C ATOM 706 O SER A 71 -1.828 6.491 8.113 1.00 0.00 O ATOM 707 CB SER A 71 -3.829 7.256 5.575 1.00 0.00 C ATOM 708 OG SER A 71 -5.186 7.468 5.228 1.00 0.00 O ATOM 0 H SER A 71 -3.968 9.639 6.203 1.00 0.00 H new ATOM 0 HA SER A 71 -4.192 7.220 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.184 7.780 4.870 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.592 6.195 5.497 1.00 0.00 H new ATOM 0 HG SER A 71 -5.381 8.428 5.242 1.00 0.00 H new ATOM 714 N VAL A 72 -1.166 8.228 6.845 1.00 0.00 N ATOM 715 CA VAL A 72 0.254 8.031 7.122 1.00 0.00 C ATOM 716 C VAL A 72 0.966 9.364 7.326 1.00 0.00 C ATOM 717 O VAL A 72 1.895 9.464 8.129 1.00 0.00 O ATOM 718 CB VAL A 72 0.957 7.271 5.978 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.413 7.006 6.330 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.234 5.971 5.655 1.00 0.00 C ATOM 0 H VAL A 72 -1.370 9.013 6.227 1.00 0.00 H new ATOM 0 HA VAL A 72 0.311 7.439 8.036 1.00 0.00 H new ATOM 0 HB VAL A 72 0.926 7.898 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.893 6.469 5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.926 7.954 6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.464 6.405 7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.753 5.458 4.845 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.220 5.333 6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.789 6.190 5.349 1.00 0.00 H new ATOM 730 N GLN A 73 0.526 10.382 6.587 1.00 0.00 N ATOM 731 CA GLN A 73 1.119 11.714 6.672 1.00 0.00 C ATOM 732 C GLN A 73 2.527 11.727 6.072 1.00 0.00 C ATOM 733 O GLN A 73 2.720 11.319 4.926 1.00 0.00 O ATOM 734 CB GLN A 73 1.147 12.201 8.124 1.00 0.00 C ATOM 735 CG GLN A 73 -0.231 12.294 8.761 1.00 0.00 C ATOM 736 CD GLN A 73 -0.179 12.788 10.193 1.00 0.00 C ATOM 737 OE1 GLN A 73 0.444 12.167 11.054 1.00 0.00 O ATOM 738 NE2 GLN A 73 -0.837 13.911 10.456 1.00 0.00 N ATOM 0 H GLN A 73 -0.242 10.308 5.920 1.00 0.00 H new ATOM 0 HA GLN A 73 0.498 12.397 6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.766 11.525 8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.622 13.181 8.161 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.855 12.965 8.171 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.706 11.313 8.736 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.340 14.393 9.712 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.839 14.291 11.402 1.00 0.00 H new ATOM 747 N LYS A 74 3.505 12.204 6.842 1.00 0.00 N ATOM 748 CA LYS A 74 4.887 12.272 6.371 1.00 0.00 C ATOM 749 C LYS A 74 5.361 10.920 5.847 1.00 0.00 C ATOM 750 O LYS A 74 5.167 9.888 6.491 1.00 0.00 O ATOM 751 CB LYS A 74 5.807 12.747 7.498 1.00 0.00 C ATOM 752 CG LYS A 74 5.786 11.846 8.723 1.00 0.00 C ATOM 753 CD LYS A 74 6.710 12.361 9.818 1.00 0.00 C ATOM 754 CE LYS A 74 6.270 13.725 10.326 1.00 0.00 C ATOM 755 NZ LYS A 74 7.170 14.234 11.398 1.00 0.00 N ATOM 0 H LYS A 74 3.366 12.548 7.792 1.00 0.00 H new ATOM 0 HA LYS A 74 4.926 12.987 5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.828 12.809 7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.515 13.755 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.768 11.779 9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.086 10.838 8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.725 11.652 10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.728 12.426 9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.255 14.433 9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.251 13.659 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.837 15.166 11.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.165 13.571 12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.137 14.321 11.027 1.00 0.00 H new ATOM 769 N VAL A 75 5.979 10.934 4.669 1.00 0.00 N ATOM 770 CA VAL A 75 6.479 9.711 4.052 1.00 0.00 C ATOM 771 C VAL A 75 8.001 9.632 4.132 1.00 0.00 C ATOM 772 O VAL A 75 8.701 10.568 3.745 1.00 0.00 O ATOM 773 CB VAL A 75 6.056 9.619 2.573 1.00 0.00 C ATOM 774 CG1 VAL A 75 6.504 8.297 1.967 1.00 0.00 C ATOM 775 CG2 VAL A 75 4.553 9.797 2.436 1.00 0.00 C ATOM 0 H VAL A 75 6.145 11.780 4.123 1.00 0.00 H new ATOM 0 HA VAL A 75 6.044 8.879 4.606 1.00 0.00 H new ATOM 0 HB VAL A 75 6.545 10.424 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.195 8.252 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.589 8.218 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.049 7.472 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.273 9.729 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.041 9.016 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.265 10.773 2.826 1.00 0.00 H new ATOM 785 N ASN A 76 8.506 8.507 4.628 1.00 0.00 N ATOM 786 CA ASN A 76 9.944 8.304 4.747 1.00 0.00 C ATOM 787 C ASN A 76 10.537 7.845 3.419 1.00 0.00 C ATOM 788 O ASN A 76 10.019 6.926 2.784 1.00 0.00 O ATOM 789 CB ASN A 76 10.249 7.274 5.835 1.00 0.00 C ATOM 790 CG ASN A 76 9.739 7.699 7.198 1.00 0.00 C ATOM 791 OD1 ASN A 76 8.876 6.879 7.785 1.00 0.00 O flip ATOM 792 ND2 ASN A 76 10.117 8.748 7.717 1.00 0.00 N flip ATOM 0 H ASN A 76 7.941 7.723 4.954 1.00 0.00 H new ATOM 0 HA ASN A 76 10.398 9.256 5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.798 6.320 5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.326 7.114 5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.782 9.348 7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.766 9.018 8.636 1.00 0.00 H new ATOM 799 N ASP A 77 11.629 8.483 3.007 1.00 0.00 N ATOM 800 CA ASP A 77 12.290 8.126 1.757 1.00 0.00 C ATOM 801 C ASP A 77 12.826 6.698 1.824 1.00 0.00 C ATOM 802 O ASP A 77 13.434 6.308 2.819 1.00 0.00 O ATOM 803 CB ASP A 77 13.433 9.101 1.462 1.00 0.00 C ATOM 804 CG ASP A 77 12.953 10.533 1.319 1.00 0.00 C ATOM 805 OD1 ASP A 77 11.732 10.767 1.442 1.00 0.00 O ATOM 806 OD2 ASP A 77 13.799 11.420 1.081 1.00 0.00 O ATOM 0 H ASP A 77 12.073 9.246 3.518 1.00 0.00 H new ATOM 0 HA ASP A 77 11.558 8.187 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.169 9.046 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.938 8.797 0.545 1.00 0.00 H new ATOM 811 N PRO A 78 12.601 5.894 0.768 1.00 0.00 N ATOM 812 CA PRO A 78 13.063 4.502 0.724 1.00 0.00 C ATOM 813 C PRO A 78 14.571 4.384 0.502 1.00 0.00 C ATOM 814 O PRO A 78 15.027 3.549 -0.279 1.00 0.00 O ATOM 815 CB PRO A 78 12.298 3.917 -0.463 1.00 0.00 C ATOM 816 CG PRO A 78 12.045 5.080 -1.359 1.00 0.00 C ATOM 817 CD PRO A 78 11.874 6.274 -0.459 1.00 0.00 C ATOM 0 HA PRO A 78 12.882 3.985 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.880 3.147 -0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.365 3.453 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.876 5.228 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.153 4.918 -1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.290 7.176 -0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.822 6.475 -0.255 1.00 0.00 H new ATOM 825 N VAL A 79 15.340 5.219 1.194 1.00 0.00 N ATOM 826 CA VAL A 79 16.793 5.201 1.072 1.00 0.00 C ATOM 827 C VAL A 79 17.372 3.907 1.636 1.00 0.00 C ATOM 828 O VAL A 79 18.013 3.137 0.920 1.00 0.00 O ATOM 829 CB VAL A 79 17.432 6.396 1.806 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.947 6.360 1.676 1.00 0.00 C ATOM 831 CG2 VAL A 79 16.874 7.708 1.277 1.00 0.00 C ATOM 0 H VAL A 79 14.981 5.917 1.845 1.00 0.00 H new ATOM 0 HA VAL A 79 17.024 5.270 0.009 1.00 0.00 H new ATOM 0 HB VAL A 79 17.182 6.322 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.378 7.212 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.328 5.436 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.223 6.406 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.337 8.540 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 79 17.089 7.792 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.795 7.734 1.432 1.00 0.00 H new ATOM 841 N GLN A 80 17.138 3.676 2.923 1.00 0.00 N ATOM 842 CA GLN A 80 17.632 2.476 3.588 1.00 0.00 C ATOM 843 C GLN A 80 16.661 1.310 3.399 1.00 0.00 C ATOM 844 O GLN A 80 16.491 0.813 2.286 1.00 0.00 O ATOM 845 CB GLN A 80 17.874 2.749 5.074 1.00 0.00 C ATOM 846 CG GLN A 80 18.909 3.833 5.325 1.00 0.00 C ATOM 847 CD GLN A 80 19.224 4.016 6.797 1.00 0.00 C ATOM 848 OE1 GLN A 80 18.342 4.314 7.601 1.00 0.00 O ATOM 849 NE2 GLN A 80 20.491 3.841 7.155 1.00 0.00 N ATOM 0 H GLN A 80 16.609 4.305 3.527 1.00 0.00 H new ATOM 0 HA GLN A 80 18.582 2.198 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.933 3.040 5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 80 18.198 1.828 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 80 19.826 3.584 4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 80 18.547 4.776 4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 80 21.190 3.594 6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 80 20.765 3.953 8.131 1.00 0.00 H new ATOM 858 N ASN A 81 16.028 0.871 4.487 1.00 0.00 N ATOM 859 CA ASN A 81 15.086 -0.241 4.419 1.00 0.00 C ATOM 860 C ASN A 81 13.970 -0.094 5.450 1.00 0.00 C ATOM 861 O ASN A 81 12.805 -0.359 5.154 1.00 0.00 O ATOM 862 CB ASN A 81 15.815 -1.569 4.636 1.00 0.00 C ATOM 863 CG ASN A 81 16.871 -1.832 3.580 1.00 0.00 C ATOM 864 OD1 ASN A 81 16.568 -1.917 2.390 1.00 0.00 O ATOM 865 ND2 ASN A 81 18.120 -1.962 4.012 1.00 0.00 N ATOM 0 H ASN A 81 16.151 1.267 5.419 1.00 0.00 H new ATOM 0 HA ASN A 81 14.637 -0.230 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.283 -1.566 5.620 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.090 -2.383 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.873 -2.140 3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.326 -1.884 5.008 1.00 0.00 H new ATOM 872 N TRP A 82 14.328 0.320 6.663 1.00 0.00 N ATOM 873 CA TRP A 82 13.344 0.484 7.729 1.00 0.00 C ATOM 874 C TRP A 82 12.285 1.514 7.345 1.00 0.00 C ATOM 875 O TRP A 82 11.133 1.412 7.765 1.00 0.00 O ATOM 876 CB TRP A 82 14.026 0.871 9.050 1.00 0.00 C ATOM 877 CG TRP A 82 14.579 2.264 9.083 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.884 2.632 8.924 1.00 0.00 C ATOM 879 CD2 TRP A 82 13.849 3.475 9.331 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.008 3.996 9.037 1.00 0.00 N ATOM 881 CE2 TRP A 82 14.773 4.535 9.288 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.503 3.764 9.575 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.395 5.861 9.482 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.130 5.082 9.769 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.073 6.115 9.720 1.00 0.00 C ATOM 0 H TRP A 82 15.286 0.547 6.931 1.00 0.00 H new ATOM 0 HA TRP A 82 12.845 -0.474 7.872 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.306 0.761 9.861 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.836 0.168 9.245 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.700 1.950 8.737 1.00 0.00 H new ATOM 0 HE1 TRP A 82 16.878 4.522 8.948 1.00 0.00 H new ATOM 0 HE3 TRP A 82 11.768 2.973 9.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.120 6.660 9.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.094 5.318 9.961 1.00 0.00 H new ATOM 0 HH2 TRP A 82 12.750 7.134 9.873 1.00 0.00 H new ATOM 896 N HIS A 83 12.679 2.505 6.544 1.00 0.00 N ATOM 897 CA HIS A 83 11.749 3.544 6.108 1.00 0.00 C ATOM 898 C HIS A 83 10.503 2.920 5.488 1.00 0.00 C ATOM 899 O HIS A 83 9.378 3.315 5.794 1.00 0.00 O ATOM 900 CB HIS A 83 12.409 4.473 5.085 1.00 0.00 C ATOM 901 CG HIS A 83 13.667 5.127 5.566 1.00 0.00 C ATOM 902 ND1 HIS A 83 13.941 6.425 5.838 1.00 0.00 N flip ATOM 903 CD2 HIS A 83 14.836 4.434 5.799 1.00 0.00 C flip ATOM 904 CE1 HIS A 83 15.256 6.491 6.224 1.00 0.00 C flip ATOM 905 NE2 HIS A 83 15.774 5.277 6.193 1.00 0.00 N flip ATOM 0 H HIS A 83 13.629 2.609 6.187 1.00 0.00 H new ATOM 0 HA HIS A 83 11.466 4.125 6.986 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.632 3.901 4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.696 5.248 4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.965 3.369 5.678 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.782 7.391 6.507 1.00 0.00 H new ATOM 0 HE2 HIS A 83 16.735 5.032 6.432 1.00 0.00 H new ATOM 914 N LYS A 84 10.719 1.941 4.614 1.00 0.00 N ATOM 915 CA LYS A 84 9.623 1.252 3.944 1.00 0.00 C ATOM 916 C LYS A 84 8.680 0.614 4.958 1.00 0.00 C ATOM 917 O LYS A 84 7.462 0.695 4.823 1.00 0.00 O ATOM 918 CB LYS A 84 10.175 0.179 3.003 1.00 0.00 C ATOM 919 CG LYS A 84 11.078 0.731 1.912 1.00 0.00 C ATOM 920 CD LYS A 84 11.680 -0.384 1.072 1.00 0.00 C ATOM 921 CE LYS A 84 12.519 0.171 -0.068 1.00 0.00 C ATOM 922 NZ LYS A 84 13.146 -0.912 -0.875 1.00 0.00 N ATOM 0 H LYS A 84 11.647 1.607 4.353 1.00 0.00 H new ATOM 0 HA LYS A 84 9.062 1.986 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.732 -0.553 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.342 -0.350 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.508 1.404 1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.876 1.321 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.298 -1.023 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.883 -1.008 0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.893 0.788 -0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.297 0.819 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.709 -0.492 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.764 -1.486 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.404 -1.516 -1.282 1.00 0.00 H new ATOM 936 N LEU A 85 9.258 -0.022 5.972 1.00 0.00 N ATOM 937 CA LEU A 85 8.484 -0.681 7.014 1.00 0.00 C ATOM 938 C LEU A 85 7.490 0.278 7.662 1.00 0.00 C ATOM 939 O LEU A 85 6.413 -0.130 8.098 1.00 0.00 O ATOM 940 CB LEU A 85 9.427 -1.249 8.074 1.00 0.00 C ATOM 941 CG LEU A 85 10.415 -2.303 7.567 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.336 -2.752 8.690 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.672 -3.494 6.979 1.00 0.00 C ATOM 0 H LEU A 85 10.268 -0.094 6.093 1.00 0.00 H new ATOM 0 HA LEU A 85 7.917 -1.491 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.991 -0.427 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.829 -1.688 8.872 1.00 0.00 H new ATOM 0 HG LEU A 85 11.022 -1.855 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.032 -3.501 8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.895 -1.895 9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.743 -3.182 9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.391 -4.232 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.040 -3.943 7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.053 -3.161 6.146 1.00 0.00 H new ATOM 955 N GLU A 86 7.861 1.552 7.732 1.00 0.00 N ATOM 956 CA GLU A 86 7.004 2.566 8.337 1.00 0.00 C ATOM 957 C GLU A 86 5.790 2.856 7.463 1.00 0.00 C ATOM 958 O GLU A 86 4.652 2.793 7.927 1.00 0.00 O ATOM 959 CB GLU A 86 7.789 3.850 8.575 1.00 0.00 C ATOM 960 CG GLU A 86 7.011 4.891 9.358 1.00 0.00 C ATOM 961 CD GLU A 86 6.596 4.409 10.737 1.00 0.00 C ATOM 962 OE1 GLU A 86 5.816 3.438 10.820 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.053 5.006 11.735 1.00 0.00 O ATOM 0 H GLU A 86 8.749 1.907 7.378 1.00 0.00 H new ATOM 0 HA GLU A 86 6.653 2.178 9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.707 3.612 9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.082 4.272 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.619 5.790 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.121 5.172 8.794 1.00 0.00 H new ATOM 970 N ASN A 87 6.038 3.175 6.196 1.00 0.00 N ATOM 971 CA ASN A 87 4.971 3.476 5.260 1.00 0.00 C ATOM 972 C ASN A 87 4.052 2.274 5.076 1.00 0.00 C ATOM 973 O ASN A 87 2.832 2.419 5.004 1.00 0.00 O ATOM 974 CB ASN A 87 5.563 3.897 3.918 1.00 0.00 C ATOM 975 CG ASN A 87 6.464 5.110 4.038 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.029 6.182 4.461 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.727 4.949 3.663 1.00 0.00 N ATOM 0 H ASN A 87 6.975 3.231 5.797 1.00 0.00 H new ATOM 0 HA ASN A 87 4.378 4.296 5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.131 3.067 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.755 4.116 3.220 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.379 5.731 3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.045 4.043 3.318 1.00 0.00 H new ATOM 984 N ILE A 88 4.646 1.087 4.999 1.00 0.00 N ATOM 985 CA ILE A 88 3.877 -0.140 4.822 1.00 0.00 C ATOM 986 C ILE A 88 3.038 -0.442 6.057 1.00 0.00 C ATOM 987 O ILE A 88 1.868 -0.814 5.950 1.00 0.00 O ATOM 988 CB ILE A 88 4.791 -1.348 4.533 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.644 -1.089 3.288 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.958 -2.609 4.357 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.585 -2.227 2.950 1.00 0.00 C ATOM 0 H ILE A 88 5.655 0.949 5.056 1.00 0.00 H new ATOM 0 HA ILE A 88 3.223 0.022 3.965 1.00 0.00 H new ATOM 0 HB ILE A 88 5.459 -1.490 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.986 -0.908 2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.226 -0.180 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.616 -3.454 4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.392 -2.801 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.269 -2.476 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.157 -1.973 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.268 -2.394 3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.008 -3.134 2.766 1.00 0.00 H new ATOM 1003 N GLY A 89 3.645 -0.288 7.230 1.00 0.00 N ATOM 1004 CA GLY A 89 2.945 -0.555 8.473 1.00 0.00 C ATOM 1005 C GLY A 89 1.731 0.331 8.666 1.00 0.00 C ATOM 1006 O GLY A 89 0.648 -0.155 8.982 1.00 0.00 O ATOM 0 H GLY A 89 4.612 0.018 7.341 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.633 -1.599 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.630 -0.412 9.308 1.00 0.00 H new ATOM 1010 N ASN A 90 1.912 1.635 8.483 1.00 0.00 N ATOM 1011 CA ASN A 90 0.820 2.591 8.647 1.00 0.00 C ATOM 1012 C ASN A 90 -0.254 2.398 7.579 1.00 0.00 C ATOM 1013 O ASN A 90 -1.446 2.484 7.867 1.00 0.00 O ATOM 1014 CB ASN A 90 1.352 4.024 8.595 1.00 0.00 C ATOM 1015 CG ASN A 90 2.330 4.322 9.711 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.523 4.767 9.346 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 2.012 4.162 10.890 1.00 0.00 N flip ATOM 0 H ASN A 90 2.804 2.055 8.221 1.00 0.00 H new ATOM 0 HA ASN A 90 0.368 2.411 9.622 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.840 4.192 7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.516 4.721 8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.081 3.817 11.125 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.679 4.375 11.632 1.00 0.00 H new ATOM 1024 N PHE A 91 0.176 2.147 6.346 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.754 1.952 5.236 1.00 0.00 C ATOM 1026 C PHE A 91 -1.692 0.776 5.498 1.00 0.00 C ATOM 1027 O PHE A 91 -2.912 0.916 5.424 1.00 0.00 O ATOM 1028 CB PHE A 91 0.021 1.722 3.935 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.854 1.428 2.748 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.954 2.222 2.462 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.574 0.354 1.917 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.758 1.950 1.370 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.373 0.078 0.824 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.465 0.877 0.550 1.00 0.00 C ATOM 0 H PHE A 91 1.160 2.074 6.089 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.359 2.854 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.622 2.606 3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.713 0.892 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.186 3.063 3.099 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.279 -0.274 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.613 2.575 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.144 -0.762 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.090 0.664 -0.305 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.114 -0.380 5.799 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.894 -1.584 6.066 1.00 0.00 C ATOM 1046 C LEU A 92 -2.680 -1.462 7.365 1.00 0.00 C ATOM 1047 O LEU A 92 -3.831 -1.882 7.441 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.977 -2.802 6.111 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.334 -3.154 4.773 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.800 -4.147 4.969 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.375 -3.713 3.819 1.00 0.00 C ATOM 0 H LEU A 92 -0.104 -0.510 5.865 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.612 -1.708 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.190 -2.622 6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.549 -3.660 6.463 1.00 0.00 H new ATOM 0 HG LEU A 92 0.081 -2.245 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.246 -4.386 4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.557 -3.711 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.411 -5.058 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.902 -3.960 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.817 -4.612 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.154 -2.969 3.654 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.054 -0.884 8.381 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.705 -0.706 9.674 1.00 0.00 C ATOM 1065 C ARG A 93 -3.935 0.183 9.530 1.00 0.00 C ATOM 1066 O ARG A 93 -4.973 -0.066 10.143 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.731 -0.089 10.679 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.337 0.144 12.053 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.346 0.800 12.993 1.00 0.00 C ATOM 1070 NE ARG A 93 -1.917 1.032 14.317 1.00 0.00 N ATOM 1071 CZ ARG A 93 -1.250 1.595 15.319 1.00 0.00 C ATOM 1072 NH1 ARG A 93 0.007 1.982 15.151 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -1.841 1.772 16.494 1.00 0.00 N ATOM 0 H ARG A 93 -1.098 -0.531 8.336 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.018 -1.684 10.040 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.864 -0.742 10.780 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.370 0.861 10.285 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.222 0.773 11.959 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.664 -0.807 12.473 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.462 0.169 13.085 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.018 1.749 12.569 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.882 0.746 14.482 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.466 1.848 14.250 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.515 2.414 15.923 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.808 1.476 16.628 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.328 2.204 17.263 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.799 1.226 8.719 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.885 2.169 8.489 1.00 0.00 C ATOM 1089 C ALA A 94 -6.020 1.545 7.681 1.00 0.00 C ATOM 1090 O ALA A 94 -7.187 1.723 8.013 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.361 3.411 7.785 1.00 0.00 C ATOM 0 H ALA A 94 -2.943 1.440 8.208 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.289 2.448 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.182 4.108 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.601 3.887 8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.924 3.129 6.827 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.673 0.828 6.611 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.680 0.200 5.755 1.00 0.00 C ATOM 1099 C ILE A 95 -7.355 -0.984 6.447 1.00 0.00 C ATOM 1100 O ILE A 95 -8.557 -1.200 6.290 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.081 -0.272 4.411 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.106 -1.438 4.620 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.388 0.887 3.708 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.567 -2.017 3.328 1.00 0.00 C ATOM 0 H ILE A 95 -4.709 0.668 6.318 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.428 0.968 5.557 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.896 -0.628 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.271 -1.097 5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.610 -2.226 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.970 0.542 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.110 1.681 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.587 1.270 4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.885 -2.837 3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.394 -2.389 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.034 -1.242 2.777 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.574 -1.749 7.201 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.091 -2.916 7.909 1.00 0.00 C ATOM 1118 C LYS A 96 -8.155 -2.501 8.920 1.00 0.00 C ATOM 1119 O LYS A 96 -9.162 -3.186 9.097 1.00 0.00 O ATOM 1120 CB LYS A 96 -5.945 -3.658 8.605 1.00 0.00 C ATOM 1121 CG LYS A 96 -6.324 -5.039 9.119 1.00 0.00 C ATOM 1122 CD LYS A 96 -5.132 -5.777 9.718 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.616 -5.095 10.975 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.966 -3.787 10.683 1.00 0.00 N ATOM 0 H LYS A 96 -5.577 -1.582 7.339 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.554 -3.588 7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.113 -3.757 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.590 -3.055 9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.106 -4.943 9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.740 -5.628 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.420 -6.802 9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.331 -5.832 8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.444 -4.940 11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.901 -5.750 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.066 -3.723 11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.784 -3.710 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.593 -3.013 10.983 1.00 0.00 H new ATOM 1138 N HIS A 97 -7.923 -1.368 9.571 1.00 0.00 N ATOM 1139 CA HIS A 97 -8.855 -0.838 10.559 1.00 0.00 C ATOM 1140 C HIS A 97 -9.931 -0.004 9.875 1.00 0.00 C ATOM 1141 O HIS A 97 -11.085 0.023 10.306 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.110 0.015 11.584 1.00 0.00 C ATOM 1143 CG HIS A 97 -8.981 0.521 12.692 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -9.669 -0.312 13.549 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.272 1.784 13.084 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.347 0.416 14.418 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.123 1.691 14.158 1.00 0.00 N ATOM 0 H HIS A 97 -7.091 -0.795 9.431 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.329 -1.675 11.072 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.298 -0.573 12.012 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.655 0.864 11.075 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.904 2.695 12.636 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.977 0.033 15.207 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.518 2.479 14.671 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.530 0.680 8.810 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.436 1.534 8.045 1.00 0.00 C ATOM 1158 C TYR A 98 -11.718 0.795 7.685 1.00 0.00 C ATOM 1159 O TYR A 98 -12.816 1.336 7.819 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.748 2.023 6.768 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.642 2.844 5.866 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.184 4.050 6.296 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.940 2.413 4.581 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.999 4.799 5.469 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.753 3.156 3.748 1.00 0.00 C ATOM 1166 CZ TYR A 98 -12.280 4.348 4.196 1.00 0.00 C ATOM 1167 OH TYR A 98 -13.090 5.092 3.369 1.00 0.00 O ATOM 0 H TYR A 98 -8.575 0.660 8.453 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.696 2.389 8.669 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.878 2.620 7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.381 1.161 6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.965 4.407 7.291 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.529 1.480 4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.414 5.733 5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.975 2.805 2.751 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.187 4.635 2.508 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.575 -0.442 7.221 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.739 -1.223 6.846 1.00 0.00 C ATOM 1179 C GLY A 99 -12.380 -2.560 6.229 1.00 0.00 C ATOM 1180 O GLY A 99 -12.994 -3.579 6.547 1.00 0.00 O ATOM 0 H GLY A 99 -10.680 -0.915 7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.357 -1.390 7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.340 -0.652 6.139 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.390 -2.558 5.339 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.965 -3.784 4.675 1.00 0.00 C ATOM 1186 C VAL A 100 -10.583 -4.848 5.698 1.00 0.00 C ATOM 1187 O VAL A 100 -9.788 -4.597 6.604 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.771 -3.534 3.731 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.459 -4.789 2.928 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -10.062 -2.366 2.802 1.00 0.00 C ATOM 0 H VAL A 100 -10.871 -1.725 5.063 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.809 -4.136 4.082 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.899 -3.284 4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.614 -4.597 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.210 -5.603 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.330 -5.066 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.209 -2.204 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.946 -2.588 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.240 -1.467 3.392 1.00 0.00 H new ATOM 1200 N LYS A 101 -11.162 -6.036 5.551 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.892 -7.140 6.465 1.00 0.00 C ATOM 1202 C LYS A 101 -9.422 -7.550 6.414 1.00 0.00 C ATOM 1203 O LYS A 101 -8.838 -7.660 5.336 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.779 -8.339 6.126 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.267 -8.038 6.209 1.00 0.00 C ATOM 1206 CD LYS A 101 -14.104 -9.258 5.864 1.00 0.00 C ATOM 1207 CE LYS A 101 -15.591 -8.956 5.942 1.00 0.00 C ATOM 1208 NZ LYS A 101 -15.998 -8.515 7.305 1.00 0.00 N ATOM 0 H LYS A 101 -11.822 -6.259 4.806 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.119 -6.801 7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.542 -8.683 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.544 -9.158 6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.515 -7.699 7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.513 -7.223 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.854 -9.600 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.861 -10.072 6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -15.842 -8.180 5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.157 -9.845 5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -17.035 -8.531 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.590 -9.157 8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -15.654 -7.548 7.474 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.804 -7.786 7.586 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.394 -8.190 7.673 1.00 0.00 C ATOM 1224 C PRO A 102 -7.103 -9.437 6.846 1.00 0.00 C ATOM 1225 O PRO A 102 -6.065 -9.532 6.190 1.00 0.00 O ATOM 1226 CB PRO A 102 -7.197 -8.476 9.165 1.00 0.00 C ATOM 1227 CG PRO A 102 -8.244 -7.661 9.841 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.427 -7.679 8.919 1.00 0.00 C ATOM 0 HA PRO A 102 -6.723 -7.425 7.283 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.316 -9.537 9.385 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.198 -8.192 9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.499 -8.080 10.814 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.897 -6.642 10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.087 -8.521 9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -10.027 -6.774 9.013 1.00 0.00 H new ATOM 1236 N HIS A 103 -8.031 -10.389 6.878 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.885 -11.631 6.128 1.00 0.00 C ATOM 1238 C HIS A 103 -7.714 -11.343 4.638 1.00 0.00 C ATOM 1239 O HIS A 103 -7.140 -12.143 3.901 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.102 -12.531 6.351 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.016 -13.847 5.643 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -8.011 -14.764 5.876 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -9.816 -14.402 4.702 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -8.197 -15.824 5.110 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -9.285 -15.630 4.388 1.00 0.00 N ATOM 0 H HIS A 103 -8.894 -10.323 7.417 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.994 -12.145 6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.219 -12.711 7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.997 -12.006 6.016 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.706 -13.962 4.277 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.566 -16.700 5.080 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.669 -16.285 3.707 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.210 -10.187 4.209 1.00 0.00 N ATOM 1255 CA ASP A 104 -8.110 -9.773 2.820 1.00 0.00 C ATOM 1256 C ASP A 104 -7.094 -8.652 2.693 1.00 0.00 C ATOM 1257 O ASP A 104 -7.265 -7.723 1.902 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.474 -9.306 2.308 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.496 -10.425 2.277 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.782 -10.998 3.349 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.011 -10.729 1.180 1.00 0.00 O ATOM 0 H ASP A 104 -8.689 -9.517 4.812 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.784 -10.622 2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.841 -8.501 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.361 -8.894 1.305 1.00 0.00 H new ATOM 1266 N ILE A 105 -6.045 -8.744 3.498 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.998 -7.737 3.511 1.00 0.00 C ATOM 1268 C ILE A 105 -3.642 -8.353 3.833 1.00 0.00 C ATOM 1269 O ILE A 105 -3.500 -9.093 4.808 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.301 -6.651 4.559 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.594 -5.915 4.213 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -4.144 -5.676 4.664 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.982 -4.864 5.229 1.00 0.00 C ATOM 0 H ILE A 105 -5.898 -9.511 4.154 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.967 -7.295 2.515 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.432 -7.135 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.483 -5.442 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.403 -6.640 4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.376 -4.915 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.242 -6.212 4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.981 -5.199 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.909 -4.382 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.125 -5.334 6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.191 -4.117 5.300 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.645 -8.032 3.016 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.298 -8.542 3.227 1.00 0.00 C ATOM 1287 C PHE A 106 -0.626 -7.802 4.370 1.00 0.00 C ATOM 1288 O PHE A 106 -0.826 -6.602 4.547 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.463 -8.412 1.953 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.266 -6.993 1.494 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.781 -6.229 1.988 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.128 -6.421 0.574 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.963 -4.924 1.570 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.951 -5.117 0.152 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.097 -4.368 0.651 1.00 0.00 C ATOM 0 H PHE A 106 -2.745 -7.423 2.204 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.371 -9.598 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.513 -8.867 2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.945 -8.978 1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.462 -6.659 2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.950 -7.001 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.782 -4.340 1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.631 -4.684 -0.567 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.238 -3.349 0.322 1.00 0.00 H new ATOM 1305 N GLU A 107 0.174 -8.520 5.139 1.00 0.00 N ATOM 1306 CA GLU A 107 0.881 -7.917 6.263 1.00 0.00 C ATOM 1307 C GLU A 107 2.151 -7.237 5.791 1.00 0.00 C ATOM 1308 O GLU A 107 2.729 -7.620 4.773 1.00 0.00 O ATOM 1309 CB GLU A 107 1.217 -8.961 7.326 1.00 0.00 C ATOM 1310 CG GLU A 107 -0.002 -9.612 7.932 1.00 0.00 C ATOM 1311 CD GLU A 107 0.344 -10.603 9.026 1.00 0.00 C ATOM 1312 OE1 GLU A 107 0.962 -10.190 10.029 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -0.004 -11.794 8.880 1.00 0.00 O ATOM 0 H GLU A 107 0.352 -9.516 5.010 1.00 0.00 H new ATOM 0 HA GLU A 107 0.222 -7.171 6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.848 -9.731 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.799 -8.489 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.655 -8.841 8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.562 -10.123 7.149 1.00 0.00 H new ATOM 1320 N ALA A 108 2.588 -6.233 6.539 1.00 0.00 N ATOM 1321 CA ALA A 108 3.800 -5.508 6.201 1.00 0.00 C ATOM 1322 C ALA A 108 4.946 -6.480 5.957 1.00 0.00 C ATOM 1323 O ALA A 108 5.896 -6.169 5.239 1.00 0.00 O ATOM 1324 CB ALA A 108 4.157 -4.527 7.308 1.00 0.00 C ATOM 0 H ALA A 108 2.120 -5.904 7.383 1.00 0.00 H new ATOM 0 HA ALA A 108 3.625 -4.944 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.068 -3.991 7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.342 -3.815 7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.317 -5.071 8.239 1.00 0.00 H new ATOM 1330 N ASN A 109 4.847 -7.663 6.561 1.00 0.00 N ATOM 1331 CA ASN A 109 5.866 -8.684 6.415 1.00 0.00 C ATOM 1332 C ASN A 109 5.725 -9.415 5.083 1.00 0.00 C ATOM 1333 O ASN A 109 6.718 -9.751 4.442 1.00 0.00 O ATOM 1334 CB ASN A 109 5.757 -9.677 7.566 1.00 0.00 C ATOM 1335 CG ASN A 109 5.786 -9.000 8.919 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.935 -8.168 9.230 1.00 0.00 O ATOM 1337 ND2 ASN A 109 6.769 -9.356 9.730 1.00 0.00 N ATOM 0 H ASN A 109 4.065 -7.933 7.158 1.00 0.00 H new ATOM 0 HA ASN A 109 6.844 -8.203 6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 109 4.831 -10.244 7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.577 -10.392 7.503 1.00 0.00 H new ATOM 0 HD21 ASN A 109 6.843 -8.936 10.656 1.00 0.00 H new ATOM 0 HD22 ASN A 109 7.452 -10.051 9.429 1.00 0.00 H new ATOM 1344 N ASP A 110 4.484 -9.669 4.682 1.00 0.00 N ATOM 1345 CA ASP A 110 4.212 -10.372 3.432 1.00 0.00 C ATOM 1346 C ASP A 110 4.789 -9.622 2.236 1.00 0.00 C ATOM 1347 O ASP A 110 5.450 -10.213 1.382 1.00 0.00 O ATOM 1348 CB ASP A 110 2.704 -10.561 3.249 1.00 0.00 C ATOM 1349 CG ASP A 110 2.079 -11.375 4.366 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.819 -11.797 5.281 1.00 0.00 O ATOM 1351 OD2 ASP A 110 0.850 -11.592 4.327 1.00 0.00 O ATOM 0 H ASP A 110 3.650 -9.399 5.204 1.00 0.00 H new ATOM 0 HA ASP A 110 4.695 -11.348 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.222 -9.584 3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.516 -11.055 2.296 1.00 0.00 H new ATOM 1356 N LEU A 111 4.530 -8.319 2.175 1.00 0.00 N ATOM 1357 CA LEU A 111 5.020 -7.492 1.077 1.00 0.00 C ATOM 1358 C LEU A 111 6.527 -7.266 1.175 1.00 0.00 C ATOM 1359 O LEU A 111 7.249 -7.397 0.187 1.00 0.00 O ATOM 1360 CB LEU A 111 4.289 -6.147 1.063 1.00 0.00 C ATOM 1361 CG LEU A 111 4.752 -5.162 -0.015 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.559 -5.754 -1.404 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.001 -3.845 0.110 1.00 0.00 C ATOM 0 H LEU A 111 3.984 -7.813 2.873 1.00 0.00 H new ATOM 0 HA LEU A 111 4.820 -8.022 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.223 -6.333 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.410 -5.676 2.039 1.00 0.00 H new ATOM 0 HG LEU A 111 5.815 -4.971 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.894 -5.038 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.141 -6.672 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.504 -5.977 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.342 -3.157 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.932 -4.023 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.190 -3.410 1.092 1.00 0.00 H new ATOM 1375 N PHE A 112 6.994 -6.915 2.369 1.00 0.00 N ATOM 1376 CA PHE A 112 8.415 -6.657 2.592 1.00 0.00 C ATOM 1377 C PHE A 112 9.259 -7.903 2.332 1.00 0.00 C ATOM 1378 O PHE A 112 10.204 -7.869 1.543 1.00 0.00 O ATOM 1379 CB PHE A 112 8.646 -6.168 4.025 1.00 0.00 C ATOM 1380 CG PHE A 112 10.074 -5.793 4.311 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.737 -4.868 3.518 1.00 0.00 C ATOM 1382 CD2 PHE A 112 10.751 -6.362 5.377 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.048 -4.521 3.783 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.062 -6.019 5.647 1.00 0.00 C ATOM 1385 CZ PHE A 112 12.712 -5.097 4.849 1.00 0.00 C ATOM 0 H PHE A 112 6.410 -6.802 3.198 1.00 0.00 H new ATOM 0 HA PHE A 112 8.724 -5.884 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.008 -5.304 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.338 -6.949 4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.223 -4.414 2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.248 -7.083 6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.553 -3.800 3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.578 -6.471 6.481 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.737 -4.827 5.058 1.00 0.00 H new ATOM 1395 N GLU A 113 8.915 -9.000 2.998 1.00 0.00 N ATOM 1396 CA GLU A 113 9.641 -10.255 2.841 1.00 0.00 C ATOM 1397 C GLU A 113 9.286 -10.924 1.521 1.00 0.00 C ATOM 1398 O GLU A 113 9.955 -11.865 1.091 1.00 0.00 O ATOM 1399 CB GLU A 113 9.338 -11.197 4.005 1.00 0.00 C ATOM 1400 CG GLU A 113 9.784 -10.658 5.354 1.00 0.00 C ATOM 1401 CD GLU A 113 11.284 -10.443 5.439 1.00 0.00 C ATOM 1402 OE1 GLU A 113 11.811 -9.611 4.671 1.00 0.00 O ATOM 1403 OE2 GLU A 113 11.931 -11.106 6.276 1.00 0.00 O ATOM 0 H GLU A 113 8.135 -9.045 3.654 1.00 0.00 H new ATOM 0 HA GLU A 113 10.708 -10.031 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.266 -11.390 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.828 -12.154 3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.275 -9.714 5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.477 -11.352 6.136 1.00 0.00 H new ATOM 1410 N ASN A 114 8.222 -10.436 0.892 1.00 0.00 N ATOM 1411 CA ASN A 114 7.756 -10.982 -0.375 1.00 0.00 C ATOM 1412 C ASN A 114 7.276 -12.417 -0.196 1.00 0.00 C ATOM 1413 O ASN A 114 7.376 -13.236 -1.109 1.00 0.00 O ATOM 1414 CB ASN A 114 8.871 -10.934 -1.422 1.00 0.00 C ATOM 1415 CG ASN A 114 9.388 -9.529 -1.657 1.00 0.00 C ATOM 1416 OD1 ASN A 114 10.680 -9.332 -1.426 1.00 0.00 O flip ATOM 1417 ND2 ASN A 114 8.638 -8.635 -2.043 1.00 0.00 N flip ATOM 0 H ASN A 114 7.664 -9.658 1.243 1.00 0.00 H new ATOM 0 HA ASN A 114 6.921 -10.372 -0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.695 -11.571 -1.100 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.500 -11.343 -2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.651 -8.833 -2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.003 -7.695 -2.199 1.00 0.00 H new ATOM 1424 N THR A 115 6.748 -12.713 0.988 1.00 0.00 N ATOM 1425 CA THR A 115 6.248 -14.050 1.283 1.00 0.00 C ATOM 1426 C THR A 115 4.957 -14.325 0.520 1.00 0.00 C ATOM 1427 O THR A 115 4.823 -15.352 -0.145 1.00 0.00 O ATOM 1428 CB THR A 115 5.993 -14.243 2.790 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.009 -13.308 3.245 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.278 -14.060 3.583 1.00 0.00 C ATOM 0 H THR A 115 6.656 -12.047 1.755 1.00 0.00 H new ATOM 0 HA THR A 115 7.018 -14.754 0.966 1.00 0.00 H new ATOM 0 HB THR A 115 5.628 -15.258 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.115 -13.694 3.135 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.074 -14.201 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.015 -14.793 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.667 -13.055 3.419 1.00 0.00 H new ATOM 1438 N ASN A 116 4.012 -13.395 0.616 1.00 0.00 N ATOM 1439 CA ASN A 116 2.733 -13.531 -0.070 1.00 0.00 C ATOM 1440 C ASN A 116 2.662 -12.607 -1.282 1.00 0.00 C ATOM 1441 O ASN A 116 2.758 -11.386 -1.150 1.00 0.00 O ATOM 1442 CB ASN A 116 1.580 -13.220 0.891 1.00 0.00 C ATOM 1443 CG ASN A 116 1.516 -14.192 2.052 1.00 0.00 C ATOM 1444 OD1 ASN A 116 2.464 -14.312 2.829 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.395 -14.891 2.176 1.00 0.00 N ATOM 0 H ASN A 116 4.108 -12.539 1.162 1.00 0.00 H new ATOM 0 HA ASN A 116 2.643 -14.561 -0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.695 -12.206 1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.637 -13.249 0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.293 -15.560 2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -0.365 -14.759 1.509 1.00 0.00 H new ATOM 1452 N HIS A 117 2.485 -13.195 -2.463 1.00 0.00 N ATOM 1453 CA HIS A 117 2.391 -12.420 -3.695 1.00 0.00 C ATOM 1454 C HIS A 117 0.934 -12.235 -4.103 1.00 0.00 C ATOM 1455 O HIS A 117 0.497 -11.124 -4.405 1.00 0.00 O ATOM 1456 CB HIS A 117 3.166 -13.105 -4.824 1.00 0.00 C ATOM 1457 CG HIS A 117 4.633 -13.249 -4.556 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.501 -13.857 -5.438 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.387 -12.856 -3.500 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.724 -13.833 -4.939 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.682 -13.231 -3.765 1.00 0.00 N ATOM 0 H HIS A 117 2.404 -14.204 -2.591 1.00 0.00 H new ATOM 0 HA HIS A 117 2.831 -11.440 -3.512 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.740 -14.093 -4.996 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.029 -12.535 -5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.036 -12.344 -2.616 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.607 -14.237 -5.411 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.482 -13.070 -3.153 1.00 0.00 H new ATOM 1470 N THR A 118 0.186 -13.335 -4.107 1.00 0.00 N ATOM 1471 CA THR A 118 -1.225 -13.303 -4.472 1.00 0.00 C ATOM 1472 C THR A 118 -2.021 -12.439 -3.502 1.00 0.00 C ATOM 1473 O THR A 118 -2.887 -11.666 -3.910 1.00 0.00 O ATOM 1474 CB THR A 118 -1.831 -14.718 -4.496 1.00 0.00 C ATOM 1475 OG1 THR A 118 -1.685 -15.336 -3.211 1.00 0.00 O ATOM 1476 CG2 THR A 118 -1.160 -15.577 -5.557 1.00 0.00 C ATOM 0 H THR A 118 0.536 -14.261 -3.861 1.00 0.00 H new ATOM 0 HA THR A 118 -1.284 -12.874 -5.472 1.00 0.00 H new ATOM 0 HB THR A 118 -2.890 -14.631 -4.739 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.075 -16.235 -3.234 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.605 -16.572 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.299 -15.120 -6.537 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.095 -15.656 -5.341 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.718 -12.580 -2.216 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.400 -11.818 -1.179 1.00 0.00 C ATOM 1486 C GLN A 119 -2.277 -10.317 -1.431 1.00 0.00 C ATOM 1487 O GLN A 119 -3.240 -9.570 -1.263 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.820 -12.167 0.192 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.506 -11.457 1.346 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.982 -11.794 1.446 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.354 -12.955 1.615 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.830 -10.778 1.339 1.00 0.00 N ATOM 0 H GLN A 119 -1.002 -13.217 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.457 -12.082 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.894 -13.244 0.344 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.759 -11.916 0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.012 -11.727 2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.391 -10.380 1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.477 -9.831 1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.835 -10.944 1.396 1.00 0.00 H new ATOM 1501 N VAL A 120 -1.086 -9.884 -1.832 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.836 -8.473 -2.106 1.00 0.00 C ATOM 1503 C VAL A 120 -1.740 -7.954 -3.221 1.00 0.00 C ATOM 1504 O VAL A 120 -2.335 -6.883 -3.102 1.00 0.00 O ATOM 1505 CB VAL A 120 0.639 -8.227 -2.486 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.847 -6.798 -2.964 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.554 -8.541 -1.311 1.00 0.00 C ATOM 0 H VAL A 120 -0.278 -10.490 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.060 -7.929 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 120 0.893 -8.897 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.895 -6.651 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.225 -6.613 -3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.570 -6.105 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.590 -8.361 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.295 -7.901 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.433 -9.586 -1.025 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.839 -8.718 -4.304 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.659 -8.345 -5.436 1.00 0.00 C ATOM 1519 C GLN A 121 -4.136 -8.280 -5.054 1.00 0.00 C ATOM 1520 O GLN A 121 -4.841 -7.339 -5.418 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.448 -9.354 -6.559 1.00 0.00 C ATOM 1522 CG GLN A 121 -3.260 -9.047 -7.790 1.00 0.00 C ATOM 1523 CD GLN A 121 -3.039 -10.047 -8.908 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -1.922 -10.212 -9.397 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -4.108 -10.722 -9.317 1.00 0.00 N ATOM 0 H GLN A 121 -1.353 -9.608 -4.415 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.362 -7.351 -5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.391 -9.377 -6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.708 -10.349 -6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.318 -9.032 -7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -3.006 -8.049 -8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.015 -10.553 -8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.021 -11.410 -10.065 1.00 0.00 H new ATOM 1534 N SER A 122 -4.597 -9.291 -4.325 1.00 0.00 N ATOM 1535 CA SER A 122 -5.991 -9.360 -3.898 1.00 0.00 C ATOM 1536 C SER A 122 -6.352 -8.192 -2.984 1.00 0.00 C ATOM 1537 O SER A 122 -7.440 -7.625 -3.087 1.00 0.00 O ATOM 1538 CB SER A 122 -6.259 -10.683 -3.179 1.00 0.00 C ATOM 1539 OG SER A 122 -7.608 -10.771 -2.755 1.00 0.00 O ATOM 0 H SER A 122 -4.024 -10.076 -4.016 1.00 0.00 H new ATOM 0 HA SER A 122 -6.615 -9.300 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.029 -11.515 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.598 -10.772 -2.317 1.00 0.00 H new ATOM 0 HG SER A 122 -7.753 -11.627 -2.300 1.00 0.00 H new ATOM 1545 N THR A 123 -5.436 -7.843 -2.085 1.00 0.00 N ATOM 1546 CA THR A 123 -5.661 -6.749 -1.145 1.00 0.00 C ATOM 1547 C THR A 123 -6.028 -5.457 -1.870 1.00 0.00 C ATOM 1548 O THR A 123 -6.949 -4.750 -1.465 1.00 0.00 O ATOM 1549 CB THR A 123 -4.421 -6.498 -0.267 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.088 -7.686 0.459 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.668 -5.356 0.709 1.00 0.00 C ATOM 0 H THR A 123 -4.530 -8.302 -1.988 1.00 0.00 H new ATOM 0 HA THR A 123 -6.494 -7.050 -0.509 1.00 0.00 H new ATOM 0 HB THR A 123 -3.592 -6.224 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.810 -8.386 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.778 -5.198 1.318 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.894 -4.445 0.154 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.510 -5.605 1.355 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.302 -5.155 -2.942 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.557 -3.946 -3.718 1.00 0.00 C ATOM 1561 C LEU A 124 -6.986 -3.933 -4.254 1.00 0.00 C ATOM 1562 O LEU A 124 -7.673 -2.915 -4.187 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.563 -3.833 -4.878 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.099 -3.655 -4.469 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.210 -3.579 -5.700 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -2.929 -2.410 -3.610 1.00 0.00 C ATOM 0 H LEU A 124 -4.535 -5.729 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.428 -3.090 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.645 -4.729 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.854 -2.989 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.799 -4.521 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.172 -3.452 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.308 -4.499 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.512 -2.731 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.881 -2.302 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.247 -1.533 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.537 -2.503 -2.710 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.426 -5.071 -4.782 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.774 -5.189 -5.327 1.00 0.00 C ATOM 1580 C ILE A 125 -9.822 -4.872 -4.265 1.00 0.00 C ATOM 1581 O ILE A 125 -10.785 -4.149 -4.525 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.033 -6.602 -5.886 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.007 -6.939 -6.972 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.449 -6.705 -6.434 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.154 -8.336 -7.537 1.00 0.00 C ATOM 0 H ILE A 125 -6.869 -5.924 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 125 -8.853 -4.467 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.927 -7.323 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.100 -6.217 -7.783 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.004 -6.827 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.616 -7.709 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.164 -6.503 -5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.583 -5.977 -7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.394 -8.502 -8.300 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.031 -9.067 -6.738 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.143 -8.447 -7.981 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.629 -5.418 -3.069 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.556 -5.196 -1.965 1.00 0.00 C ATOM 1599 C ALA A 126 -10.597 -3.724 -1.566 1.00 0.00 C ATOM 1600 O ALA A 126 -11.666 -3.170 -1.310 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.169 -6.056 -0.772 1.00 0.00 C ATOM 0 H ALA A 126 -8.837 -6.019 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.553 -5.482 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.869 -5.881 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.199 -7.108 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.161 -5.797 -0.448 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.425 -3.097 -1.513 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.323 -1.690 -1.140 1.00 0.00 C ATOM 1609 C LEU A 127 -10.142 -0.824 -2.094 1.00 0.00 C ATOM 1610 O LEU A 127 -10.891 0.053 -1.664 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.852 -1.251 -1.146 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.548 0.096 -0.472 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.155 1.254 -1.252 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -8.050 0.099 0.965 1.00 0.00 C ATOM 0 H LEU A 127 -8.532 -3.542 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.723 -1.564 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.261 -2.023 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.512 -1.202 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.466 0.229 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -7.922 2.193 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -7.741 1.270 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -9.237 1.129 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -7.826 1.061 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -9.127 -0.066 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.556 -0.696 1.524 1.00 0.00 H new ATOM 1626 N ALA A 128 -9.994 -1.077 -3.391 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.718 -0.323 -4.407 1.00 0.00 C ATOM 1628 C ALA A 128 -12.223 -0.392 -4.167 1.00 0.00 C ATOM 1629 O ALA A 128 -12.924 0.615 -4.261 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.377 -0.844 -5.795 1.00 0.00 C ATOM 0 H ALA A 128 -9.378 -1.800 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.412 0.721 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -10.925 -0.271 -6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.306 -0.739 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -10.655 -1.895 -5.867 1.00 0.00 H new ATOM 1636 N SER A 129 -12.709 -1.589 -3.854 1.00 0.00 N ATOM 1637 CA SER A 129 -14.129 -1.795 -3.595 1.00 0.00 C ATOM 1638 C SER A 129 -14.587 -0.963 -2.401 1.00 0.00 C ATOM 1639 O SER A 129 -15.711 -0.461 -2.376 1.00 0.00 O ATOM 1640 CB SER A 129 -14.412 -3.276 -3.338 1.00 0.00 C ATOM 1641 OG SER A 129 -14.045 -4.068 -4.456 1.00 0.00 O ATOM 0 H SER A 129 -12.140 -2.431 -3.774 1.00 0.00 H new ATOM 0 HA SER A 129 -14.686 -1.474 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.861 -3.607 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 129 -15.471 -3.415 -3.122 1.00 0.00 H new ATOM 0 HG SER A 129 -13.068 -4.104 -4.525 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.709 -0.824 -1.413 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.013 -0.059 -0.217 1.00 0.00 C ATOM 1649 C GLN A 130 -14.199 1.420 -0.541 1.00 0.00 C ATOM 1650 O GLN A 130 -15.211 2.018 -0.182 1.00 0.00 O ATOM 1651 CB GLN A 130 -12.894 -0.242 0.801 1.00 0.00 C ATOM 1652 CG GLN A 130 -12.983 0.696 1.985 1.00 0.00 C ATOM 1653 CD GLN A 130 -14.200 0.457 2.848 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.490 -0.675 3.236 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -14.906 1.530 3.175 1.00 0.00 N ATOM 0 H GLN A 130 -12.776 -1.236 -1.421 1.00 0.00 H new ATOM 0 HA GLN A 130 -14.950 -0.427 0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.910 -1.270 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -11.936 -0.093 0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.086 0.586 2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -12.998 1.724 1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -14.628 2.448 2.830 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -15.728 1.437 3.772 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.219 2.008 -1.219 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.286 3.419 -1.583 1.00 0.00 C ATOM 1666 C ALA A 131 -14.192 3.643 -2.791 1.00 0.00 C ATOM 1667 O ALA A 131 -13.922 4.506 -3.628 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.890 3.957 -1.860 1.00 0.00 C ATOM 0 H ALA A 131 -12.371 1.531 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.716 3.962 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.953 5.011 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.274 3.848 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.441 3.398 -2.681 1.00 0.00 H new ATOM 1674 N LYS A 132 -15.268 2.865 -2.880 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.205 2.978 -3.975 1.00 0.00 C ATOM 1676 C LYS A 132 -17.125 4.182 -3.792 1.00 0.00 C ATOM 1677 O LYS A 132 -16.991 5.187 -4.491 1.00 0.00 O ATOM 1678 CB LYS A 132 -17.027 1.697 -4.066 1.00 0.00 C ATOM 1679 CG LYS A 132 -18.054 1.734 -5.169 1.00 0.00 C ATOM 1680 CD LYS A 132 -18.828 0.427 -5.269 1.00 0.00 C ATOM 1681 CE LYS A 132 -19.620 0.143 -4.002 1.00 0.00 C ATOM 1682 NZ LYS A 132 -20.379 -1.134 -4.096 1.00 0.00 N ATOM 0 H LYS A 132 -15.507 2.146 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 132 -15.647 3.124 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -16.357 0.853 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -17.530 1.526 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -18.749 2.555 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -17.559 1.936 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -19.507 0.471 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -18.135 -0.393 -5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -18.940 0.099 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -20.312 0.964 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -20.905 -1.291 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -21.046 -1.084 -4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -19.717 -1.921 -4.249 1.00 0.00 H new