USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 69 THR OG1 : rot -72:sc= 1.22 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 10 MET CE :methyl -115:sc= -0.0662 (180deg=-0.527) USER MOD Single : A 14 HIS : no HE2:sc= -0.786 X(o=-0.79,f=-0.59) USER MOD Single : A 15 ASN : amide:sc= -0.398 K(o=-0.4,f=-1.2) USER MOD Single : A 19 SER OG : rot -121:sc= -0.392 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0233 USER MOD Single : A 25 SER OG : rot 174:sc= 1.22 USER MOD Single : A 26 THR OG1 : rot -25:sc= 1.22 USER MOD Single : A 28 THR OG1 : rot -59:sc= 0.246 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0755 USER MOD Single : A 38 GLN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 40 MET CE :methyl 160:sc= -0.269 (180deg=-0.515) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0614 X(o=-0.061,f=-0.31) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.459 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.165 USER MOD Single : A 64 MET CE :methyl -143:sc= -0.0616 (180deg=-1.29) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -7! C(o=-7!,f=-6.9!) USER MOD Single : A 80 GLN : amide:sc= -0.115 K(o=-0.12,f=-0.95) USER MOD Single : A 88 GLN : amide:sc= -0.612 X(o=-0.61,f=-1) USER MOD Single : A 90 GLN : amide:sc= -0.624 K(o=-0.62,f=-1.7) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 140:sc= 0.0199 USER MOD Single : A 104 ASN : amide:sc= -1.62 K(o=-1.6,f=-6.6!) USER MOD Single : A 107 THR OG1 : rot -169:sc= 1.45 USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.854 F(o=-2.3!,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 91 N PRO A 8 -11.700 -5.634 10.226 1.00 0.00 N ATOM 92 CA PRO A 8 -10.297 -5.848 10.631 1.00 0.00 C ATOM 93 C PRO A 8 -10.094 -7.290 11.131 1.00 0.00 C ATOM 94 O PRO A 8 -11.010 -7.889 11.670 1.00 0.00 O ATOM 95 CB PRO A 8 -10.091 -4.850 11.774 1.00 0.00 C ATOM 96 CG PRO A 8 -11.495 -4.537 12.341 1.00 0.00 C ATOM 97 CD PRO A 8 -12.508 -4.909 11.242 1.00 0.00 C ATOM 0 HA PRO A 8 -9.593 -5.704 9.811 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.446 -5.271 12.545 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.607 -3.942 11.414 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.682 -5.109 13.250 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.580 -3.483 12.605 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.308 -5.536 11.635 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.978 -4.022 10.817 1.00 0.00 H new ATOM 105 N GLY A 9 -8.899 -7.840 10.968 1.00 0.00 N ATOM 106 CA GLY A 9 -8.614 -9.233 11.442 1.00 0.00 C ATOM 107 C GLY A 9 -9.157 -10.288 10.457 1.00 0.00 C ATOM 108 O GLY A 9 -8.929 -11.471 10.648 1.00 0.00 O ATOM 0 H GLY A 9 -8.109 -7.373 10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.539 -9.365 11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.065 -9.384 12.423 1.00 0.00 H new ATOM 112 N MET A 10 -9.868 -9.879 9.415 1.00 0.00 N ATOM 113 CA MET A 10 -10.422 -10.864 8.427 1.00 0.00 C ATOM 114 C MET A 10 -10.292 -10.273 6.999 1.00 0.00 C ATOM 115 O MET A 10 -10.917 -9.265 6.725 1.00 0.00 O ATOM 116 CB MET A 10 -11.902 -11.098 8.738 1.00 0.00 C ATOM 117 CG MET A 10 -12.028 -11.828 10.076 1.00 0.00 C ATOM 118 SD MET A 10 -11.494 -13.546 9.877 1.00 0.00 S ATOM 119 CE MET A 10 -12.996 -14.157 9.073 1.00 0.00 C ATOM 0 H MET A 10 -10.084 -8.903 9.213 1.00 0.00 H new ATOM 0 HA MET A 10 -9.875 -11.805 8.490 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.432 -10.146 8.779 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.364 -11.686 7.945 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.419 -11.332 10.832 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.060 -11.795 10.425 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.485 -14.885 9.720 1.00 0.00 H new ATOM 0 HE2 MET A 10 -13.674 -13.324 8.888 1.00 0.00 H new ATOM 0 HE3 MET A 10 -12.735 -14.630 8.126 1.00 0.00 H new ATOM 129 N ALA A 11 -9.490 -10.868 6.096 1.00 0.00 N ATOM 130 CA ALA A 11 -9.306 -10.327 4.693 1.00 0.00 C ATOM 131 C ALA A 11 -8.202 -9.266 4.724 1.00 0.00 C ATOM 132 O ALA A 11 -7.202 -9.385 4.035 1.00 0.00 O ATOM 133 CB ALA A 11 -10.603 -9.720 4.131 1.00 0.00 C ATOM 0 H ALA A 11 -8.955 -11.715 6.288 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.031 -11.152 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.423 -9.345 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.379 -10.485 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.928 -8.899 4.771 1.00 0.00 H new ATOM 139 N ILE A 12 -8.372 -8.252 5.544 1.00 0.00 N ATOM 140 CA ILE A 12 -7.347 -7.181 5.685 1.00 0.00 C ATOM 141 C ILE A 12 -6.732 -7.331 7.093 1.00 0.00 C ATOM 142 O ILE A 12 -7.375 -6.947 8.057 1.00 0.00 O ATOM 143 CB ILE A 12 -8.020 -5.810 5.550 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.712 -5.717 4.189 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.966 -4.708 5.660 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.525 -4.422 4.112 1.00 0.00 C ATOM 0 H ILE A 12 -9.197 -8.126 6.130 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.579 -7.263 4.916 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.756 -5.687 6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.970 -5.740 3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.365 -6.577 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.446 -3.734 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.470 -4.774 6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.229 -4.829 4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.017 -4.358 3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.277 -4.417 4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.861 -3.567 4.239 1.00 0.00 H new ATOM 158 N PRO A 13 -5.544 -7.933 7.209 1.00 0.00 N ATOM 159 CA PRO A 13 -4.929 -8.170 8.526 1.00 0.00 C ATOM 160 C PRO A 13 -4.245 -6.914 9.051 1.00 0.00 C ATOM 161 O PRO A 13 -4.150 -5.912 8.362 1.00 0.00 O ATOM 162 CB PRO A 13 -3.923 -9.289 8.272 1.00 0.00 C ATOM 163 CG PRO A 13 -3.605 -9.262 6.758 1.00 0.00 C ATOM 164 CD PRO A 13 -4.700 -8.412 6.080 1.00 0.00 C ATOM 0 HA PRO A 13 -5.662 -8.438 9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.018 -9.138 8.861 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.336 -10.255 8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.619 -8.834 6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.593 -10.272 6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.270 -7.579 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.281 -9.003 5.372 1.00 0.00 H new ATOM 172 N HIS A 14 -3.790 -6.975 10.278 1.00 0.00 N ATOM 173 CA HIS A 14 -3.124 -5.819 10.917 1.00 0.00 C ATOM 174 C HIS A 14 -1.693 -5.673 10.359 1.00 0.00 C ATOM 175 O HIS A 14 -1.034 -6.664 10.092 1.00 0.00 O ATOM 176 CB HIS A 14 -3.078 -6.090 12.421 1.00 0.00 C ATOM 177 CG HIS A 14 -4.479 -6.306 12.935 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.171 -5.336 13.648 1.00 0.00 N ATOM 179 CD2 HIS A 14 -5.327 -7.377 12.840 1.00 0.00 C ATOM 180 CE1 HIS A 14 -6.384 -5.843 13.950 1.00 0.00 C ATOM 181 NE2 HIS A 14 -6.529 -7.086 13.480 1.00 0.00 N ATOM 0 H HIS A 14 -3.859 -7.802 10.870 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.666 -4.896 10.714 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.465 -6.968 12.625 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.614 -5.250 12.939 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.825 -4.409 13.898 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.098 -8.308 12.343 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.144 -5.311 14.503 1.00 0.00 H new ATOM 189 N ASN A 15 -1.217 -4.449 10.179 1.00 0.00 N ATOM 190 CA ASN A 15 0.164 -4.214 9.637 1.00 0.00 C ATOM 191 C ASN A 15 0.262 -4.772 8.191 1.00 0.00 C ATOM 192 O ASN A 15 1.041 -5.676 7.928 1.00 0.00 O ATOM 193 CB ASN A 15 1.191 -4.890 10.561 1.00 0.00 C ATOM 194 CG ASN A 15 1.692 -3.878 11.595 1.00 0.00 C ATOM 195 OD1 ASN A 15 1.098 -3.719 12.642 1.00 0.00 O ATOM 196 ND2 ASN A 15 2.768 -3.185 11.342 1.00 0.00 N ATOM 0 H ASN A 15 -1.738 -3.598 10.389 1.00 0.00 H new ATOM 0 HA ASN A 15 0.375 -3.145 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.737 -5.744 11.063 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.027 -5.272 9.975 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.111 -2.509 12.024 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.266 -3.320 10.462 1.00 0.00 H new ATOM 203 N PRO A 16 -0.542 -4.222 7.282 1.00 0.00 N ATOM 204 CA PRO A 16 -0.560 -4.661 5.866 1.00 0.00 C ATOM 205 C PRO A 16 0.550 -3.985 5.048 1.00 0.00 C ATOM 206 O PRO A 16 1.154 -3.017 5.475 1.00 0.00 O ATOM 207 CB PRO A 16 -1.920 -4.176 5.360 1.00 0.00 C ATOM 208 CG PRO A 16 -2.335 -3.000 6.276 1.00 0.00 C ATOM 209 CD PRO A 16 -1.515 -3.132 7.571 1.00 0.00 C ATOM 0 HA PRO A 16 -0.403 -5.736 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.855 -3.854 4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.657 -4.978 5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.139 -2.044 5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.403 -3.035 6.490 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.006 -2.200 7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.151 -3.381 8.421 1.00 0.00 H new ATOM 217 N LEU A 17 0.778 -4.488 3.851 1.00 0.00 N ATOM 218 CA LEU A 17 1.803 -3.905 2.918 1.00 0.00 C ATOM 219 C LEU A 17 3.147 -3.654 3.638 1.00 0.00 C ATOM 220 O LEU A 17 3.764 -2.607 3.480 1.00 0.00 O ATOM 221 CB LEU A 17 1.251 -2.591 2.338 1.00 0.00 C ATOM 222 CG LEU A 17 -0.144 -2.833 1.749 1.00 0.00 C ATOM 223 CD1 LEU A 17 -0.759 -1.497 1.324 1.00 0.00 C ATOM 224 CD2 LEU A 17 -0.033 -3.755 0.532 1.00 0.00 C ATOM 0 H LEU A 17 0.284 -5.297 3.475 1.00 0.00 H new ATOM 0 HA LEU A 17 1.996 -4.616 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.201 -1.831 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.922 -2.212 1.567 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.779 -3.301 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.751 -1.670 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.840 -0.842 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.125 -1.027 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.025 -3.927 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.603 -3.289 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.403 -4.707 0.835 1.00 0.00 H new ATOM 236 N ASP A 18 3.610 -4.617 4.408 1.00 0.00 N ATOM 237 CA ASP A 18 4.923 -4.457 5.126 1.00 0.00 C ATOM 238 C ASP A 18 6.073 -4.595 4.123 1.00 0.00 C ATOM 239 O ASP A 18 7.064 -3.866 4.178 1.00 0.00 O ATOM 240 CB ASP A 18 5.061 -5.531 6.210 1.00 0.00 C ATOM 241 CG ASP A 18 4.860 -6.914 5.588 1.00 0.00 C ATOM 242 OD1 ASP A 18 5.841 -7.491 5.144 1.00 0.00 O ATOM 243 OD2 ASP A 18 3.730 -7.373 5.565 1.00 0.00 O ATOM 0 H ASP A 18 3.136 -5.506 4.570 1.00 0.00 H new ATOM 0 HA ASP A 18 4.958 -3.472 5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.045 -5.469 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.326 -5.364 6.997 1.00 0.00 H new ATOM 248 N SER A 19 5.929 -5.519 3.203 1.00 0.00 N ATOM 249 CA SER A 19 6.975 -5.750 2.165 1.00 0.00 C ATOM 250 C SER A 19 7.059 -4.531 1.248 1.00 0.00 C ATOM 251 O SER A 19 8.088 -4.279 0.649 1.00 0.00 O ATOM 252 CB SER A 19 6.613 -6.985 1.341 1.00 0.00 C ATOM 253 OG SER A 19 7.804 -7.591 0.856 1.00 0.00 O ATOM 0 H SER A 19 5.116 -6.131 3.129 1.00 0.00 H new ATOM 0 HA SER A 19 7.939 -5.908 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.054 -7.693 1.952 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.969 -6.705 0.508 1.00 0.00 H new ATOM 0 HG SER A 19 7.780 -7.622 -0.123 1.00 0.00 H new ATOM 259 N CYS A 20 5.976 -3.790 1.133 1.00 0.00 N ATOM 260 CA CYS A 20 5.960 -2.582 0.256 1.00 0.00 C ATOM 261 C CYS A 20 6.725 -1.447 0.934 1.00 0.00 C ATOM 262 O CYS A 20 7.488 -0.737 0.293 1.00 0.00 O ATOM 263 CB CYS A 20 4.512 -2.172 0.004 1.00 0.00 C ATOM 264 SG CYS A 20 3.579 -3.612 -0.587 1.00 0.00 S ATOM 0 H CYS A 20 5.098 -3.978 1.616 1.00 0.00 H new ATOM 0 HA CYS A 20 6.441 -2.805 -0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.066 -1.786 0.921 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.471 -1.370 -0.733 1.00 0.00 H new ATOM 269 N ARG A 21 6.531 -1.282 2.228 1.00 0.00 N ATOM 270 CA ARG A 21 7.244 -0.203 2.972 1.00 0.00 C ATOM 271 C ARG A 21 8.768 -0.487 2.913 1.00 0.00 C ATOM 272 O ARG A 21 9.569 0.420 2.656 1.00 0.00 O ATOM 273 CB ARG A 21 6.690 -0.128 4.429 1.00 0.00 C ATOM 274 CG ARG A 21 7.741 0.407 5.418 1.00 0.00 C ATOM 275 CD ARG A 21 8.454 -0.769 6.093 1.00 0.00 C ATOM 276 NE ARG A 21 8.762 -0.418 7.508 1.00 0.00 N ATOM 277 CZ ARG A 21 8.535 -1.282 8.461 1.00 0.00 C ATOM 278 NH1 ARG A 21 7.387 -1.898 8.525 1.00 0.00 N ATOM 279 NH2 ARG A 21 9.455 -1.528 9.352 1.00 0.00 N ATOM 0 H ARG A 21 5.906 -1.854 2.796 1.00 0.00 H new ATOM 0 HA ARG A 21 7.074 0.774 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.811 0.516 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.366 -1.120 4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.464 1.032 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.262 1.035 6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.825 -1.659 6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.373 -1.006 5.558 1.00 0.00 H new ATOM 0 HE ARG A 21 9.151 0.498 7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.665 -1.705 7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.211 -2.572 9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.352 -1.046 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.277 -2.203 10.096 1.00 0.00 H new ATOM 293 N TRP A 22 9.175 -1.736 3.116 1.00 0.00 N ATOM 294 CA TRP A 22 10.639 -2.060 3.053 1.00 0.00 C ATOM 295 C TRP A 22 11.115 -2.056 1.606 1.00 0.00 C ATOM 296 O TRP A 22 12.281 -1.808 1.341 1.00 0.00 O ATOM 297 CB TRP A 22 10.970 -3.398 3.725 1.00 0.00 C ATOM 298 CG TRP A 22 11.058 -3.144 5.177 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.300 -3.694 6.129 1.00 0.00 C ATOM 300 CD2 TRP A 22 11.958 -2.239 5.828 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.686 -3.170 7.359 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.721 -2.256 7.212 1.00 0.00 C ATOM 303 CE3 TRP A 22 12.951 -1.414 5.322 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.467 -1.454 8.082 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.711 -0.604 6.179 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.468 -0.623 7.561 1.00 0.00 C ATOM 0 H TRP A 22 8.561 -2.525 3.318 1.00 0.00 H new ATOM 0 HA TRP A 22 11.168 -1.286 3.609 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.200 -4.138 3.509 1.00 0.00 H new ATOM 0 HB3 TRP A 22 11.911 -3.797 3.346 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.519 -4.423 5.971 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.264 -3.424 8.252 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.141 -1.395 4.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.274 -1.475 9.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.483 0.034 5.775 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.051 0.001 8.222 1.00 0.00 H new ATOM 317 N TYR A 23 10.221 -2.309 0.671 1.00 0.00 N ATOM 318 CA TYR A 23 10.613 -2.298 -0.768 1.00 0.00 C ATOM 319 C TYR A 23 10.908 -0.856 -1.169 1.00 0.00 C ATOM 320 O TYR A 23 11.731 -0.620 -2.033 1.00 0.00 O ATOM 321 CB TYR A 23 9.504 -2.892 -1.636 1.00 0.00 C ATOM 322 CG TYR A 23 9.974 -2.947 -3.070 1.00 0.00 C ATOM 323 CD1 TYR A 23 11.109 -3.695 -3.404 1.00 0.00 C ATOM 324 CD2 TYR A 23 9.283 -2.243 -4.062 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.552 -3.740 -4.730 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.726 -2.290 -5.389 1.00 0.00 C ATOM 327 CZ TYR A 23 10.860 -3.038 -5.723 1.00 0.00 C ATOM 328 OH TYR A 23 11.298 -3.082 -7.029 1.00 0.00 O ATOM 0 H TYR A 23 9.240 -2.522 0.850 1.00 0.00 H new ATOM 0 HA TYR A 23 11.501 -2.912 -0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.247 -3.892 -1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.601 -2.286 -1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.643 -4.237 -2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.409 -1.664 -3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.428 -4.317 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.192 -1.748 -6.156 1.00 0.00 H new ATOM 0 HH TYR A 23 10.705 -2.541 -7.591 1.00 0.00 H new ATOM 338 N VAL A 24 10.274 0.111 -0.521 1.00 0.00 N ATOM 339 CA VAL A 24 10.575 1.542 -0.841 1.00 0.00 C ATOM 340 C VAL A 24 11.916 1.873 -0.206 1.00 0.00 C ATOM 341 O VAL A 24 12.736 2.528 -0.811 1.00 0.00 O ATOM 342 CB VAL A 24 9.530 2.493 -0.259 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.871 3.935 -0.674 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.136 2.113 -0.770 1.00 0.00 C ATOM 0 H VAL A 24 9.572 -0.035 0.204 1.00 0.00 H new ATOM 0 HA VAL A 24 10.578 1.666 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 24 9.535 2.419 0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.128 4.618 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.858 4.199 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.869 4.011 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.396 2.795 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.116 2.180 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.902 1.093 -0.465 1.00 0.00 H new ATOM 354 N SER A 25 12.129 1.432 1.020 1.00 0.00 N ATOM 355 CA SER A 25 13.425 1.730 1.720 1.00 0.00 C ATOM 356 C SER A 25 14.617 1.240 0.873 1.00 0.00 C ATOM 357 O SER A 25 15.633 1.907 0.782 1.00 0.00 O ATOM 358 CB SER A 25 13.473 1.028 3.082 1.00 0.00 C ATOM 359 OG SER A 25 12.162 0.931 3.629 1.00 0.00 O ATOM 0 H SER A 25 11.463 0.881 1.562 1.00 0.00 H new ATOM 0 HA SER A 25 13.489 2.809 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.904 0.033 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.119 1.582 3.763 1.00 0.00 H new ATOM 0 HG SER A 25 12.189 0.399 4.451 1.00 0.00 H new ATOM 365 N THR A 26 14.495 0.064 0.285 1.00 0.00 N ATOM 366 CA THR A 26 15.610 -0.538 -0.535 1.00 0.00 C ATOM 367 C THR A 26 15.700 0.105 -1.933 1.00 0.00 C ATOM 368 O THR A 26 16.761 0.543 -2.343 1.00 0.00 O ATOM 369 CB THR A 26 15.351 -2.061 -0.645 1.00 0.00 C ATOM 370 OG1 THR A 26 15.573 -2.659 0.623 1.00 0.00 O ATOM 371 CG2 THR A 26 16.275 -2.726 -1.681 1.00 0.00 C ATOM 0 H THR A 26 13.656 -0.513 0.340 1.00 0.00 H new ATOM 0 HA THR A 26 16.565 -0.349 -0.045 1.00 0.00 H new ATOM 0 HB THR A 26 14.321 -2.206 -0.970 1.00 0.00 H new ATOM 0 HG1 THR A 26 16.190 -2.103 1.143 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.061 -3.794 -1.727 1.00 0.00 H new ATOM 0 HG22 THR A 26 16.105 -2.279 -2.660 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.315 -2.577 -1.390 1.00 0.00 H new ATOM 379 N ARG A 27 14.616 0.128 -2.663 1.00 0.00 N ATOM 380 CA ARG A 27 14.615 0.706 -4.046 1.00 0.00 C ATOM 381 C ARG A 27 15.011 2.189 -4.008 1.00 0.00 C ATOM 382 O ARG A 27 15.464 2.733 -5.004 1.00 0.00 O ATOM 383 CB ARG A 27 13.213 0.561 -4.651 1.00 0.00 C ATOM 384 CG ARG A 27 13.212 1.082 -6.093 1.00 0.00 C ATOM 385 CD ARG A 27 12.334 0.183 -6.967 1.00 0.00 C ATOM 386 NE ARG A 27 12.965 0.023 -8.309 1.00 0.00 N ATOM 387 CZ ARG A 27 12.644 0.830 -9.286 1.00 0.00 C ATOM 388 NH1 ARG A 27 12.458 2.101 -9.054 1.00 0.00 N ATOM 389 NH2 ARG A 27 12.510 0.365 -10.499 1.00 0.00 N ATOM 0 H ARG A 27 13.714 -0.235 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 27 15.340 0.169 -4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.905 -0.485 -4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.490 1.117 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.840 2.106 -6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.230 1.102 -6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.208 -0.791 -6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.340 0.618 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 27 13.649 -0.718 -8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.563 2.467 -8.108 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.208 2.728 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.656 -0.627 -10.684 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.260 0.994 -11.262 1.00 0.00 H new ATOM 403 N THR A 28 14.797 2.848 -2.890 1.00 0.00 N ATOM 404 CA THR A 28 15.102 4.312 -2.783 1.00 0.00 C ATOM 405 C THR A 28 16.483 4.575 -2.137 1.00 0.00 C ATOM 406 O THR A 28 17.361 5.127 -2.782 1.00 0.00 O ATOM 407 CB THR A 28 13.973 5.003 -1.978 1.00 0.00 C ATOM 408 OG1 THR A 28 14.018 4.605 -0.618 1.00 0.00 O ATOM 409 CG2 THR A 28 12.614 4.627 -2.571 1.00 0.00 C ATOM 0 H THR A 28 14.420 2.428 -2.040 1.00 0.00 H new ATOM 0 HA THR A 28 15.148 4.731 -3.788 1.00 0.00 H new ATOM 0 HB THR A 28 14.115 6.082 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.910 3.633 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.822 5.114 -2.003 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.568 4.952 -3.610 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.483 3.546 -2.523 1.00 0.00 H new ATOM 417 N CYS A 29 16.678 4.208 -0.881 1.00 0.00 N ATOM 418 CA CYS A 29 17.995 4.460 -0.191 1.00 0.00 C ATOM 419 C CYS A 29 18.863 3.199 -0.133 1.00 0.00 C ATOM 420 O CYS A 29 19.826 3.148 0.617 1.00 0.00 O ATOM 421 CB CYS A 29 17.733 4.974 1.228 1.00 0.00 C ATOM 422 SG CYS A 29 17.362 6.732 1.149 1.00 0.00 S ATOM 0 H CYS A 29 15.977 3.743 -0.304 1.00 0.00 H new ATOM 0 HA CYS A 29 18.540 5.207 -0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 29 16.901 4.433 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.605 4.800 1.859 1.00 0.00 H new ATOM 427 N GLY A 30 18.530 2.193 -0.901 1.00 0.00 N ATOM 428 CA GLY A 30 19.326 0.916 -0.889 1.00 0.00 C ATOM 429 C GLY A 30 19.375 0.336 0.538 1.00 0.00 C ATOM 430 O GLY A 30 20.248 -0.455 0.855 1.00 0.00 O ATOM 0 H GLY A 30 17.737 2.196 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.877 0.192 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.338 1.106 -1.248 1.00 0.00 H new ATOM 434 N VAL A 31 18.438 0.722 1.391 1.00 0.00 N ATOM 435 CA VAL A 31 18.403 0.203 2.802 1.00 0.00 C ATOM 436 C VAL A 31 17.232 -0.774 2.947 1.00 0.00 C ATOM 437 O VAL A 31 16.315 -0.763 2.144 1.00 0.00 O ATOM 438 CB VAL A 31 18.211 1.372 3.774 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.353 0.871 5.212 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.272 2.439 3.505 1.00 0.00 C ATOM 0 H VAL A 31 17.693 1.380 1.163 1.00 0.00 H new ATOM 0 HA VAL A 31 19.340 -0.306 3.028 1.00 0.00 H new ATOM 0 HB VAL A 31 17.218 1.799 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.216 1.703 5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.598 0.109 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.346 0.443 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.135 3.270 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.264 2.009 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.174 2.799 2.481 1.00 0.00 H new ATOM 450 N GLY A 32 17.262 -1.621 3.960 1.00 0.00 N ATOM 451 CA GLY A 32 16.155 -2.614 4.157 1.00 0.00 C ATOM 452 C GLY A 32 16.762 -4.024 4.370 1.00 0.00 C ATOM 453 O GLY A 32 17.977 -4.143 4.349 1.00 0.00 O ATOM 0 H GLY A 32 18.007 -1.664 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.548 -2.333 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.495 -2.617 3.289 1.00 0.00 H new ATOM 457 N PRO A 33 15.939 -5.074 4.555 1.00 0.00 N ATOM 458 CA PRO A 33 16.488 -6.443 4.738 1.00 0.00 C ATOM 459 C PRO A 33 17.175 -6.905 3.441 1.00 0.00 C ATOM 460 O PRO A 33 17.142 -6.199 2.444 1.00 0.00 O ATOM 461 CB PRO A 33 15.261 -7.292 5.112 1.00 0.00 C ATOM 462 CG PRO A 33 14.028 -6.516 4.618 1.00 0.00 C ATOM 463 CD PRO A 33 14.438 -5.034 4.586 1.00 0.00 C ATOM 0 HA PRO A 33 17.256 -6.516 5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.313 -8.276 4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.213 -7.452 6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.724 -6.857 3.628 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.179 -6.671 5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.034 -4.527 3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.071 -4.499 5.462 1.00 0.00 H new ATOM 471 N ARG A 34 17.833 -8.056 3.453 1.00 0.00 N ATOM 472 CA ARG A 34 18.559 -8.524 2.230 1.00 0.00 C ATOM 473 C ARG A 34 17.661 -9.432 1.379 1.00 0.00 C ATOM 474 O ARG A 34 17.732 -10.652 1.434 1.00 0.00 O ATOM 475 CB ARG A 34 19.841 -9.264 2.637 1.00 0.00 C ATOM 476 CG ARG A 34 19.524 -10.370 3.650 1.00 0.00 C ATOM 477 CD ARG A 34 20.509 -11.526 3.448 1.00 0.00 C ATOM 478 NE ARG A 34 19.949 -12.778 4.029 1.00 0.00 N ATOM 479 CZ ARG A 34 20.744 -13.772 4.320 1.00 0.00 C ATOM 480 NH1 ARG A 34 21.102 -14.618 3.391 1.00 0.00 N ATOM 481 NH2 ARG A 34 21.186 -13.918 5.540 1.00 0.00 N ATOM 0 H ARG A 34 17.893 -8.681 4.257 1.00 0.00 H new ATOM 0 HA ARG A 34 18.827 -7.656 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.314 -9.695 1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.553 -8.560 3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 34 19.600 -9.983 4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 34 18.500 -10.720 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 34 20.707 -11.665 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 34 21.462 -11.290 3.921 1.00 0.00 H new ATOM 0 HE ARG A 34 18.947 -12.859 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.760 -14.502 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.723 -15.394 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 34 20.910 -13.256 6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 34 21.807 -14.694 5.768 1.00 0.00 H new ATOM 495 N LEU A 35 16.827 -8.814 0.574 1.00 0.00 N ATOM 496 CA LEU A 35 15.905 -9.565 -0.331 1.00 0.00 C ATOM 497 C LEU A 35 15.950 -8.916 -1.719 1.00 0.00 C ATOM 498 O LEU A 35 15.992 -7.700 -1.833 1.00 0.00 O ATOM 499 CB LEU A 35 14.481 -9.509 0.228 1.00 0.00 C ATOM 500 CG LEU A 35 14.470 -10.098 1.641 1.00 0.00 C ATOM 501 CD1 LEU A 35 13.197 -9.671 2.373 1.00 0.00 C ATOM 502 CD2 LEU A 35 14.520 -11.624 1.552 1.00 0.00 C ATOM 0 H LEU A 35 16.748 -7.799 0.507 1.00 0.00 H new ATOM 0 HA LEU A 35 16.213 -10.608 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.126 -8.479 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.802 -10.067 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 35 15.337 -9.733 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.196 -10.094 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.161 -8.583 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.325 -10.031 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.512 -12.047 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.653 -11.985 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.431 -11.929 1.037 1.00 0.00 H new ATOM 514 N ALA A 36 15.962 -9.718 -2.766 1.00 0.00 N ATOM 515 CA ALA A 36 16.023 -9.168 -4.161 1.00 0.00 C ATOM 516 C ALA A 36 14.846 -8.208 -4.397 1.00 0.00 C ATOM 517 O ALA A 36 13.870 -8.233 -3.666 1.00 0.00 O ATOM 518 CB ALA A 36 15.970 -10.322 -5.166 1.00 0.00 C ATOM 0 H ALA A 36 15.932 -10.736 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 36 16.955 -8.619 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.014 -9.924 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.817 -10.988 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.041 -10.877 -5.034 1.00 0.00 H new ATOM 524 N THR A 37 14.948 -7.352 -5.399 1.00 0.00 N ATOM 525 CA THR A 37 13.857 -6.360 -5.691 1.00 0.00 C ATOM 526 C THR A 37 12.641 -7.043 -6.309 1.00 0.00 C ATOM 527 O THR A 37 11.552 -6.906 -5.802 1.00 0.00 O ATOM 528 CB THR A 37 14.364 -5.282 -6.661 1.00 0.00 C ATOM 529 OG1 THR A 37 15.351 -5.827 -7.530 1.00 0.00 O ATOM 530 CG2 THR A 37 14.962 -4.118 -5.870 1.00 0.00 C ATOM 0 H THR A 37 15.748 -7.301 -6.029 1.00 0.00 H new ATOM 0 HA THR A 37 13.566 -5.904 -4.745 1.00 0.00 H new ATOM 0 HB THR A 37 13.526 -4.923 -7.259 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.666 -5.132 -8.145 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.321 -3.355 -6.561 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.199 -3.689 -5.220 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.793 -4.479 -5.264 1.00 0.00 H new ATOM 538 N GLN A 38 12.812 -7.740 -7.408 1.00 0.00 N ATOM 539 CA GLN A 38 11.648 -8.413 -8.087 1.00 0.00 C ATOM 540 C GLN A 38 10.901 -9.319 -7.099 1.00 0.00 C ATOM 541 O GLN A 38 9.685 -9.436 -7.153 1.00 0.00 O ATOM 542 CB GLN A 38 12.170 -9.247 -9.261 1.00 0.00 C ATOM 543 CG GLN A 38 11.005 -9.681 -10.156 1.00 0.00 C ATOM 544 CD GLN A 38 11.549 -10.314 -11.444 1.00 0.00 C ATOM 545 OE1 GLN A 38 10.974 -10.153 -12.502 1.00 0.00 O ATOM 546 NE2 GLN A 38 12.640 -11.033 -11.400 1.00 0.00 N ATOM 0 H GLN A 38 13.712 -7.875 -7.869 1.00 0.00 H new ATOM 0 HA GLN A 38 10.956 -7.653 -8.449 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.887 -8.665 -9.840 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.699 -10.124 -8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.374 -10.395 -9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.380 -8.821 -10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.125 -11.170 -10.513 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.006 -11.457 -12.252 1.00 0.00 H new ATOM 555 N GLU A 39 11.625 -9.949 -6.203 1.00 0.00 N ATOM 556 CA GLU A 39 10.994 -10.856 -5.192 1.00 0.00 C ATOM 557 C GLU A 39 10.073 -10.051 -4.273 1.00 0.00 C ATOM 558 O GLU A 39 8.891 -10.336 -4.163 1.00 0.00 O ATOM 559 CB GLU A 39 12.088 -11.517 -4.352 1.00 0.00 C ATOM 560 CG GLU A 39 12.890 -12.485 -5.224 1.00 0.00 C ATOM 561 CD GLU A 39 12.084 -13.767 -5.435 1.00 0.00 C ATOM 562 OE1 GLU A 39 12.226 -14.673 -4.630 1.00 0.00 O ATOM 563 OE2 GLU A 39 11.337 -13.821 -6.398 1.00 0.00 O ATOM 0 H GLU A 39 12.639 -9.872 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 39 10.411 -11.618 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.748 -10.757 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.643 -12.051 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.117 -12.023 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.843 -12.716 -4.748 1.00 0.00 H new ATOM 570 N MET A 40 10.617 -9.049 -3.609 1.00 0.00 N ATOM 571 CA MET A 40 9.814 -8.194 -2.668 1.00 0.00 C ATOM 572 C MET A 40 8.585 -7.662 -3.392 1.00 0.00 C ATOM 573 O MET A 40 7.474 -7.710 -2.887 1.00 0.00 O ATOM 574 CB MET A 40 10.663 -7.008 -2.243 1.00 0.00 C ATOM 575 CG MET A 40 10.136 -6.458 -0.918 1.00 0.00 C ATOM 576 SD MET A 40 11.406 -5.428 -0.144 1.00 0.00 S ATOM 577 CE MET A 40 11.836 -6.560 1.201 1.00 0.00 C ATOM 0 H MET A 40 11.600 -8.785 -3.682 1.00 0.00 H new ATOM 0 HA MET A 40 9.513 -8.785 -1.803 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.704 -7.312 -2.135 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.635 -6.233 -3.009 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.232 -5.873 -1.089 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.864 -7.278 -0.254 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.821 -6.304 1.591 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.097 -6.476 1.998 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.850 -7.583 0.825 1.00 0.00 H new ATOM 587 N LYS A 41 8.802 -7.147 -4.574 1.00 0.00 N ATOM 588 CA LYS A 41 7.683 -6.585 -5.399 1.00 0.00 C ATOM 589 C LYS A 41 6.602 -7.658 -5.595 1.00 0.00 C ATOM 590 O LYS A 41 5.414 -7.363 -5.571 1.00 0.00 O ATOM 591 CB LYS A 41 8.223 -6.142 -6.762 1.00 0.00 C ATOM 592 CG LYS A 41 7.165 -5.303 -7.479 1.00 0.00 C ATOM 593 CD LYS A 41 7.543 -5.162 -8.954 1.00 0.00 C ATOM 594 CE LYS A 41 8.594 -4.061 -9.106 1.00 0.00 C ATOM 595 NZ LYS A 41 8.506 -3.477 -10.474 1.00 0.00 N ATOM 0 H LYS A 41 9.721 -7.090 -5.012 1.00 0.00 H new ATOM 0 HA LYS A 41 7.250 -5.726 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.137 -5.562 -6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.481 -7.013 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.187 -5.775 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.090 -4.319 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.933 -6.107 -9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.660 -4.921 -9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.435 -3.285 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.591 -4.469 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.220 -2.728 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.678 -4.220 -11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.558 -3.074 -10.619 1.00 0.00 H new ATOM 609 N ALA A 42 7.016 -8.900 -5.770 1.00 0.00 N ATOM 610 CA ALA A 42 6.037 -10.020 -5.952 1.00 0.00 C ATOM 611 C ALA A 42 5.251 -10.201 -4.654 1.00 0.00 C ATOM 612 O ALA A 42 4.071 -10.515 -4.674 1.00 0.00 O ATOM 613 CB ALA A 42 6.789 -11.314 -6.286 1.00 0.00 C ATOM 0 H ALA A 42 7.996 -9.181 -5.794 1.00 0.00 H new ATOM 0 HA ALA A 42 5.354 -9.787 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.074 -12.126 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.357 -11.178 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.471 -11.559 -5.472 1.00 0.00 H new ATOM 619 N ARG A 43 5.904 -9.994 -3.529 1.00 0.00 N ATOM 620 CA ARG A 43 5.222 -10.131 -2.203 1.00 0.00 C ATOM 621 C ARG A 43 4.117 -9.078 -2.097 1.00 0.00 C ATOM 622 O ARG A 43 3.022 -9.354 -1.619 1.00 0.00 O ATOM 623 CB ARG A 43 6.243 -9.915 -1.079 1.00 0.00 C ATOM 624 CG ARG A 43 6.766 -11.269 -0.593 1.00 0.00 C ATOM 625 CD ARG A 43 7.514 -11.965 -1.736 1.00 0.00 C ATOM 626 NE ARG A 43 8.550 -12.903 -1.195 1.00 0.00 N ATOM 627 CZ ARG A 43 8.245 -13.782 -0.272 1.00 0.00 C ATOM 628 NH1 ARG A 43 7.387 -14.730 -0.531 1.00 0.00 N ATOM 629 NH2 ARG A 43 8.801 -13.704 0.908 1.00 0.00 N ATOM 0 H ARG A 43 6.889 -9.734 -3.477 1.00 0.00 H new ATOM 0 HA ARG A 43 4.790 -11.128 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.070 -9.302 -1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.781 -9.375 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.430 -11.130 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.938 -11.891 -0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.808 -12.515 -2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.988 -11.220 -2.374 1.00 0.00 H new ATOM 0 HE ARG A 43 9.505 -12.857 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.953 -14.787 -1.452 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.150 -15.414 0.188 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.470 -12.961 1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.566 -14.386 1.629 1.00 0.00 H new ATOM 643 N CYS A 44 4.408 -7.875 -2.545 1.00 0.00 N ATOM 644 CA CYS A 44 3.401 -6.768 -2.488 1.00 0.00 C ATOM 645 C CYS A 44 2.221 -7.067 -3.415 1.00 0.00 C ATOM 646 O CYS A 44 1.088 -6.776 -3.076 1.00 0.00 O ATOM 647 CB CYS A 44 4.025 -5.457 -2.927 1.00 0.00 C ATOM 648 SG CYS A 44 4.940 -4.771 -1.542 1.00 0.00 S ATOM 0 H CYS A 44 5.307 -7.614 -2.950 1.00 0.00 H new ATOM 0 HA CYS A 44 3.056 -6.690 -1.457 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.688 -5.619 -3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.253 -4.760 -3.254 1.00 0.00 H new ATOM 653 N CYS A 45 2.481 -7.637 -4.585 1.00 0.00 N ATOM 654 CA CYS A 45 1.367 -7.946 -5.541 1.00 0.00 C ATOM 655 C CYS A 45 0.524 -9.086 -4.965 1.00 0.00 C ATOM 656 O CYS A 45 -0.663 -9.177 -5.235 1.00 0.00 O ATOM 657 CB CYS A 45 1.928 -8.365 -6.910 1.00 0.00 C ATOM 658 SG CYS A 45 2.760 -6.981 -7.758 1.00 0.00 S ATOM 0 H CYS A 45 3.413 -7.897 -4.909 1.00 0.00 H new ATOM 0 HA CYS A 45 0.755 -7.054 -5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.633 -9.186 -6.777 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.117 -8.739 -7.535 1.00 0.00 H new ATOM 663 N ARG A 46 1.133 -9.945 -4.172 1.00 0.00 N ATOM 664 CA ARG A 46 0.387 -11.085 -3.558 1.00 0.00 C ATOM 665 C ARG A 46 -0.490 -10.549 -2.434 1.00 0.00 C ATOM 666 O ARG A 46 -1.561 -11.071 -2.176 1.00 0.00 O ATOM 667 CB ARG A 46 1.375 -12.093 -2.982 1.00 0.00 C ATOM 668 CG ARG A 46 0.703 -13.467 -2.855 1.00 0.00 C ATOM 669 CD ARG A 46 1.522 -14.518 -3.608 1.00 0.00 C ATOM 670 NE ARG A 46 1.385 -14.298 -5.076 1.00 0.00 N ATOM 671 CZ ARG A 46 1.653 -15.266 -5.909 1.00 0.00 C ATOM 672 NH1 ARG A 46 2.751 -15.958 -5.773 1.00 0.00 N ATOM 673 NH2 ARG A 46 0.824 -15.543 -6.877 1.00 0.00 N ATOM 0 H ARG A 46 2.122 -9.900 -3.926 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.227 -11.572 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.252 -12.165 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.723 -11.757 -2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.617 -13.744 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.309 -13.425 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.570 -14.455 -3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.178 -15.519 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 46 1.082 -13.391 -5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.399 -15.742 -5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.961 -16.715 -6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.035 -15.003 -6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.034 -16.300 -7.528 1.00 0.00 H new ATOM 687 N GLN A 47 -0.036 -9.506 -1.768 1.00 0.00 N ATOM 688 CA GLN A 47 -0.839 -8.911 -0.650 1.00 0.00 C ATOM 689 C GLN A 47 -2.013 -8.123 -1.241 1.00 0.00 C ATOM 690 O GLN A 47 -3.099 -8.096 -0.680 1.00 0.00 O ATOM 691 CB GLN A 47 0.046 -7.971 0.178 1.00 0.00 C ATOM 692 CG GLN A 47 1.236 -8.752 0.760 1.00 0.00 C ATOM 693 CD GLN A 47 1.219 -8.667 2.290 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.177 -8.785 2.906 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.336 -8.466 2.933 1.00 0.00 N ATOM 0 H GLN A 47 0.855 -9.044 -1.952 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.216 -9.706 -0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.406 -7.153 -0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.537 -7.524 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.187 -9.794 0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.172 -8.346 0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.211 -8.367 2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.335 -8.408 3.951 1.00 0.00 H new ATOM 704 N LEU A 48 -1.789 -7.489 -2.373 1.00 0.00 N ATOM 705 CA LEU A 48 -2.859 -6.687 -3.038 1.00 0.00 C ATOM 706 C LEU A 48 -3.861 -7.623 -3.720 1.00 0.00 C ATOM 707 O LEU A 48 -5.021 -7.276 -3.876 1.00 0.00 O ATOM 708 CB LEU A 48 -2.219 -5.764 -4.078 1.00 0.00 C ATOM 709 CG LEU A 48 -3.169 -4.601 -4.391 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.365 -3.304 -4.518 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.903 -4.874 -5.705 1.00 0.00 C ATOM 0 H LEU A 48 -0.896 -7.497 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.385 -6.090 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.270 -5.380 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.000 -6.322 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.895 -4.503 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.040 -2.478 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.845 -3.105 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.637 -3.405 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.577 -4.046 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.178 -4.975 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.478 -5.796 -5.616 1.00 0.00 H new ATOM 723 N GLU A 49 -3.425 -8.803 -4.116 1.00 0.00 N ATOM 724 CA GLU A 49 -4.351 -9.776 -4.780 1.00 0.00 C ATOM 725 C GLU A 49 -5.225 -10.429 -3.706 1.00 0.00 C ATOM 726 O GLU A 49 -6.440 -10.410 -3.805 1.00 0.00 O ATOM 727 CB GLU A 49 -3.543 -10.843 -5.528 1.00 0.00 C ATOM 728 CG GLU A 49 -3.531 -10.521 -7.026 1.00 0.00 C ATOM 729 CD GLU A 49 -4.639 -11.309 -7.727 1.00 0.00 C ATOM 730 OE1 GLU A 49 -4.561 -12.528 -7.732 1.00 0.00 O ATOM 731 OE2 GLU A 49 -5.548 -10.682 -8.247 1.00 0.00 O ATOM 0 H GLU A 49 -2.465 -9.131 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.982 -9.256 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.523 -10.877 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.979 -11.828 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.677 -9.452 -7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.562 -10.775 -7.456 1.00 0.00 H new ATOM 738 N ALA A 50 -4.615 -10.975 -2.659 1.00 0.00 N ATOM 739 CA ALA A 50 -5.407 -11.601 -1.539 1.00 0.00 C ATOM 740 C ALA A 50 -6.412 -10.556 -1.056 1.00 0.00 C ATOM 741 O ALA A 50 -7.591 -10.821 -0.922 1.00 0.00 O ATOM 742 CB ALA A 50 -4.469 -11.987 -0.392 1.00 0.00 C ATOM 0 H ALA A 50 -3.603 -11.011 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.917 -12.501 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.047 -12.439 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.729 -12.701 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.963 -11.096 -0.020 1.00 0.00 H new ATOM 748 N ILE A 51 -5.927 -9.348 -0.882 1.00 0.00 N ATOM 749 CA ILE A 51 -6.791 -8.196 -0.501 1.00 0.00 C ATOM 750 C ILE A 51 -7.703 -7.933 -1.717 1.00 0.00 C ATOM 751 O ILE A 51 -7.207 -7.484 -2.731 1.00 0.00 O ATOM 752 CB ILE A 51 -5.912 -6.969 -0.203 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.076 -7.234 1.068 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.782 -5.712 -0.017 1.00 0.00 C ATOM 755 CD1 ILE A 51 -5.962 -7.244 2.324 1.00 0.00 C ATOM 0 H ILE A 51 -4.941 -9.112 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.380 -8.401 0.393 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.243 -6.797 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.561 -8.190 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.308 -6.467 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.142 -4.855 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.351 -5.526 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.469 -5.865 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.345 -7.433 3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.456 -6.278 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.714 -8.028 2.233 1.00 0.00 H new ATOM 767 N PRO A 52 -8.982 -8.284 -1.635 1.00 0.00 N ATOM 768 CA PRO A 52 -9.898 -8.139 -2.787 1.00 0.00 C ATOM 769 C PRO A 52 -9.963 -6.686 -3.254 1.00 0.00 C ATOM 770 O PRO A 52 -9.754 -5.765 -2.484 1.00 0.00 O ATOM 771 CB PRO A 52 -11.239 -8.673 -2.268 1.00 0.00 C ATOM 772 CG PRO A 52 -11.151 -8.619 -0.730 1.00 0.00 C ATOM 773 CD PRO A 52 -9.655 -8.764 -0.400 1.00 0.00 C ATOM 0 HA PRO A 52 -9.574 -8.689 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.068 -8.067 -2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.413 -9.692 -2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.548 -7.679 -0.347 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.733 -9.420 -0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.375 -8.167 0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.392 -9.797 -0.174 1.00 0.00 H new ATOM 781 N ALA A 53 -10.225 -6.497 -4.534 1.00 0.00 N ATOM 782 CA ALA A 53 -10.291 -5.126 -5.155 1.00 0.00 C ATOM 783 C ALA A 53 -11.001 -4.121 -4.237 1.00 0.00 C ATOM 784 O ALA A 53 -10.697 -2.938 -4.264 1.00 0.00 O ATOM 785 CB ALA A 53 -11.036 -5.221 -6.484 1.00 0.00 C ATOM 0 H ALA A 53 -10.400 -7.258 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.273 -4.769 -5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.090 -4.234 -6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.506 -5.902 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.045 -5.595 -6.310 1.00 0.00 H new ATOM 791 N TYR A 54 -11.927 -4.587 -3.427 1.00 0.00 N ATOM 792 CA TYR A 54 -12.658 -3.676 -2.493 1.00 0.00 C ATOM 793 C TYR A 54 -11.725 -3.278 -1.341 1.00 0.00 C ATOM 794 O TYR A 54 -11.095 -4.123 -0.728 1.00 0.00 O ATOM 795 CB TYR A 54 -13.892 -4.405 -1.937 1.00 0.00 C ATOM 796 CG TYR A 54 -15.142 -3.619 -2.255 1.00 0.00 C ATOM 797 CD1 TYR A 54 -15.490 -2.512 -1.475 1.00 0.00 C ATOM 798 CD2 TYR A 54 -15.952 -4.000 -3.331 1.00 0.00 C ATOM 799 CE1 TYR A 54 -16.648 -1.784 -1.770 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.111 -3.272 -3.627 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.458 -2.164 -2.846 1.00 0.00 C ATOM 802 OH TYR A 54 -18.598 -1.445 -3.137 1.00 0.00 O ATOM 0 H TYR A 54 -12.207 -5.567 -3.375 1.00 0.00 H new ATOM 0 HA TYR A 54 -12.978 -2.779 -3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.960 -5.403 -2.369 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -13.796 -4.530 -0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -14.865 -2.219 -0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -15.683 -4.855 -3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -16.917 -0.929 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -17.736 -3.565 -4.457 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.045 -1.841 -3.914 1.00 0.00 H new ATOM 812 N CYS A 55 -11.650 -1.993 -1.044 1.00 0.00 N ATOM 813 CA CYS A 55 -10.778 -1.487 0.077 1.00 0.00 C ATOM 814 C CYS A 55 -9.286 -1.565 -0.295 1.00 0.00 C ATOM 815 O CYS A 55 -8.444 -1.308 0.550 1.00 0.00 O ATOM 816 CB CYS A 55 -11.011 -2.319 1.349 1.00 0.00 C ATOM 817 SG CYS A 55 -12.784 -2.588 1.591 1.00 0.00 S ATOM 0 H CYS A 55 -12.164 -1.264 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.047 -0.446 0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.497 -3.277 1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.591 -1.804 2.213 1.00 0.00 H new ATOM 0 HG CYS A 55 -12.973 -3.294 2.666 1.00 0.00 H new ATOM 822 N ARG A 56 -8.941 -1.920 -1.533 1.00 0.00 N ATOM 823 CA ARG A 56 -7.483 -2.011 -1.928 1.00 0.00 C ATOM 824 C ARG A 56 -6.736 -0.727 -1.497 1.00 0.00 C ATOM 825 O ARG A 56 -6.138 -0.705 -0.435 1.00 0.00 O ATOM 826 CB ARG A 56 -7.361 -2.233 -3.449 1.00 0.00 C ATOM 827 CG ARG A 56 -6.438 -3.426 -3.726 1.00 0.00 C ATOM 828 CD ARG A 56 -7.266 -4.722 -3.773 1.00 0.00 C ATOM 829 NE ARG A 56 -7.019 -5.493 -5.049 1.00 0.00 N ATOM 830 CZ ARG A 56 -6.928 -4.887 -6.215 1.00 0.00 C ATOM 831 NH1 ARG A 56 -7.494 -3.723 -6.404 1.00 0.00 N ATOM 832 NH2 ARG A 56 -6.266 -5.452 -7.189 1.00 0.00 N ATOM 0 H ARG A 56 -9.603 -2.147 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.026 -2.860 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.346 -2.415 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.965 -1.336 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.916 -3.282 -4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.677 -3.497 -2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.015 -5.346 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.326 -4.481 -3.692 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.920 -6.507 -5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.011 -3.278 -5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.419 -3.260 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.822 -6.359 -7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.193 -4.986 -8.094 1.00 0.00 H new ATOM 846 N CYS A 57 -6.759 0.326 -2.310 1.00 0.00 N ATOM 847 CA CYS A 57 -6.049 1.622 -1.961 1.00 0.00 C ATOM 848 C CYS A 57 -6.147 1.978 -0.455 1.00 0.00 C ATOM 849 O CYS A 57 -5.148 2.361 0.127 1.00 0.00 O ATOM 850 CB CYS A 57 -6.630 2.755 -2.815 1.00 0.00 C ATOM 851 SG CYS A 57 -6.387 2.348 -4.567 1.00 0.00 S ATOM 0 H CYS A 57 -7.244 0.341 -3.207 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.989 1.488 -2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.691 2.883 -2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.140 3.698 -2.575 1.00 0.00 H new ATOM 0 HG CYS A 57 -6.877 3.299 -5.305 1.00 0.00 H new ATOM 856 N GLU A 58 -7.319 1.869 0.179 1.00 0.00 N ATOM 857 CA GLU A 58 -7.468 2.202 1.645 1.00 0.00 C ATOM 858 C GLU A 58 -6.260 1.718 2.478 1.00 0.00 C ATOM 859 O GLU A 58 -5.709 2.482 3.245 1.00 0.00 O ATOM 860 CB GLU A 58 -8.735 1.533 2.173 1.00 0.00 C ATOM 861 CG GLU A 58 -9.123 2.164 3.510 1.00 0.00 C ATOM 862 CD GLU A 58 -10.510 1.674 3.921 1.00 0.00 C ATOM 863 OE1 GLU A 58 -11.472 2.077 3.288 1.00 0.00 O ATOM 864 OE2 GLU A 58 -10.589 0.902 4.863 1.00 0.00 O ATOM 0 H GLU A 58 -8.181 1.560 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.525 3.286 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.547 1.648 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.569 0.463 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.392 1.901 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.120 3.251 3.426 1.00 0.00 H new ATOM 871 N ALA A 59 -5.862 0.458 2.346 1.00 0.00 N ATOM 872 CA ALA A 59 -4.689 -0.093 3.136 1.00 0.00 C ATOM 873 C ALA A 59 -3.504 0.893 3.155 1.00 0.00 C ATOM 874 O ALA A 59 -2.920 1.165 4.203 1.00 0.00 O ATOM 875 CB ALA A 59 -4.235 -1.413 2.511 1.00 0.00 C ATOM 0 H ALA A 59 -6.303 -0.216 1.720 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.017 -0.249 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.392 -1.812 3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.058 -2.128 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.931 -1.241 1.478 1.00 0.00 H new ATOM 881 N VAL A 60 -3.155 1.429 2.006 1.00 0.00 N ATOM 882 CA VAL A 60 -2.025 2.413 1.908 1.00 0.00 C ATOM 883 C VAL A 60 -2.275 3.551 2.906 1.00 0.00 C ATOM 884 O VAL A 60 -1.382 3.969 3.628 1.00 0.00 O ATOM 885 CB VAL A 60 -1.969 2.984 0.487 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.763 3.918 0.355 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.837 1.841 -0.528 1.00 0.00 C ATOM 0 H VAL A 60 -3.613 1.223 1.118 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.080 1.919 2.135 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.886 3.540 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.725 4.323 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.856 4.736 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.152 3.361 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.798 2.253 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.923 1.281 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.696 1.176 -0.441 1.00 0.00 H new ATOM 897 N ARG A 61 -3.497 4.040 2.936 1.00 0.00 N ATOM 898 CA ARG A 61 -3.873 5.145 3.877 1.00 0.00 C ATOM 899 C ARG A 61 -3.683 4.682 5.326 1.00 0.00 C ATOM 900 O ARG A 61 -3.356 5.471 6.182 1.00 0.00 O ATOM 901 CB ARG A 61 -5.334 5.541 3.658 1.00 0.00 C ATOM 902 CG ARG A 61 -5.403 6.777 2.752 1.00 0.00 C ATOM 903 CD ARG A 61 -5.816 6.367 1.335 1.00 0.00 C ATOM 904 NE ARG A 61 -6.970 7.199 0.904 1.00 0.00 N ATOM 905 CZ ARG A 61 -7.930 6.665 0.205 1.00 0.00 C ATOM 906 NH1 ARG A 61 -7.646 5.939 -0.841 1.00 0.00 N ATOM 907 NH2 ARG A 61 -9.173 6.853 0.553 1.00 0.00 N ATOM 0 H ARG A 61 -4.258 3.714 2.340 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.233 6.006 3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.881 4.714 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.811 5.752 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.119 7.494 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.433 7.274 2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.981 6.498 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.085 5.311 1.313 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.010 8.187 1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.673 5.791 -1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.397 5.520 -1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.393 7.418 1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.925 6.435 0.005 1.00 0.00 H new ATOM 921 N ILE A 62 -3.882 3.413 5.600 1.00 0.00 N ATOM 922 CA ILE A 62 -3.689 2.889 6.994 1.00 0.00 C ATOM 923 C ILE A 62 -2.194 2.908 7.314 1.00 0.00 C ATOM 924 O ILE A 62 -1.816 3.009 8.468 1.00 0.00 O ATOM 925 CB ILE A 62 -4.264 1.448 7.091 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.791 1.516 7.294 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.628 0.663 8.257 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.514 1.093 6.015 1.00 0.00 C ATOM 0 H ILE A 62 -4.171 2.714 4.916 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.217 3.512 7.717 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.030 0.928 6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.085 0.866 8.118 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.084 2.530 7.568 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.053 -0.340 8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.551 0.595 8.105 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.830 1.179 9.196 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.591 1.145 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.233 1.760 5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.234 0.071 5.760 1.00 0.00 H new ATOM 940 N LEU A 63 -1.354 2.787 6.314 1.00 0.00 N ATOM 941 CA LEU A 63 0.116 2.785 6.576 1.00 0.00 C ATOM 942 C LEU A 63 0.608 4.214 6.816 1.00 0.00 C ATOM 943 O LEU A 63 1.452 4.435 7.668 1.00 0.00 O ATOM 944 CB LEU A 63 0.851 2.160 5.377 1.00 0.00 C ATOM 945 CG LEU A 63 2.246 1.643 5.776 1.00 0.00 C ATOM 946 CD1 LEU A 63 3.134 2.795 6.254 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.112 0.604 6.894 1.00 0.00 C ATOM 0 H LEU A 63 -1.622 2.690 5.335 1.00 0.00 H new ATOM 0 HA LEU A 63 0.323 2.194 7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.259 1.338 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.950 2.901 4.583 1.00 0.00 H new ATOM 0 HG LEU A 63 2.708 1.185 4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.115 2.408 6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.245 3.525 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.675 3.273 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.101 0.241 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.635 1.062 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.504 -0.231 6.544 1.00 0.00 H new ATOM 959 N MET A 64 0.102 5.173 6.074 1.00 0.00 N ATOM 960 CA MET A 64 0.551 6.593 6.255 1.00 0.00 C ATOM 961 C MET A 64 -0.124 7.214 7.485 1.00 0.00 C ATOM 962 O MET A 64 0.542 7.728 8.369 1.00 0.00 O ATOM 963 CB MET A 64 0.193 7.411 5.005 1.00 0.00 C ATOM 964 CG MET A 64 0.795 8.815 5.121 1.00 0.00 C ATOM 965 SD MET A 64 0.055 9.901 3.876 1.00 0.00 S ATOM 966 CE MET A 64 -1.094 10.758 4.979 1.00 0.00 C ATOM 0 H MET A 64 -0.603 5.033 5.350 1.00 0.00 H new ATOM 0 HA MET A 64 1.631 6.603 6.402 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.572 6.914 4.112 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.890 7.476 4.898 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.618 9.216 6.119 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.875 8.771 4.983 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.029 10.950 4.453 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.291 10.137 5.853 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.656 11.704 5.297 1.00 0.00 H new ATOM 976 N ASP A 65 -1.439 7.175 7.530 1.00 0.00 N ATOM 977 CA ASP A 65 -2.199 7.767 8.682 1.00 0.00 C ATOM 978 C ASP A 65 -2.226 6.809 9.879 1.00 0.00 C ATOM 979 O ASP A 65 -2.423 7.246 11.002 1.00 0.00 O ATOM 980 CB ASP A 65 -3.638 8.190 8.279 1.00 0.00 C ATOM 981 CG ASP A 65 -3.582 9.551 7.585 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.432 10.545 8.281 1.00 0.00 O ATOM 983 OD2 ASP A 65 -3.699 9.576 6.370 1.00 0.00 O ATOM 0 H ASP A 65 -2.024 6.753 6.809 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.668 8.671 8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.076 7.446 7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.276 8.244 9.161 1.00 0.00 H new ATOM 988 N GLY A 66 -2.058 5.512 9.654 1.00 0.00 N ATOM 989 CA GLY A 66 -2.108 4.537 10.790 1.00 0.00 C ATOM 990 C GLY A 66 -3.562 4.108 11.023 1.00 0.00 C ATOM 991 O GLY A 66 -4.486 4.872 10.793 1.00 0.00 O ATOM 0 H GLY A 66 -1.890 5.099 8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.491 3.667 10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.701 4.992 11.693 1.00 0.00 H new ATOM 995 N VAL A 67 -3.757 2.887 11.468 1.00 0.00 N ATOM 996 CA VAL A 67 -5.137 2.348 11.722 1.00 0.00 C ATOM 997 C VAL A 67 -5.290 2.001 13.208 1.00 0.00 C ATOM 998 O VAL A 67 -4.309 1.836 13.915 1.00 0.00 O ATOM 999 CB VAL A 67 -5.362 1.101 10.863 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.271 0.073 11.164 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.743 0.493 11.154 1.00 0.00 C ATOM 0 H VAL A 67 -3.005 2.228 11.670 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.879 3.102 11.458 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.320 1.382 9.811 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.430 -0.816 10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.295 0.501 10.935 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.309 -0.200 12.219 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.888 -0.393 10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.804 0.215 12.206 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.518 1.225 10.927 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.519 1.916 13.681 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.769 1.610 15.124 1.00 0.00 C ATOM 1013 C VAL A 68 -7.480 0.256 15.268 1.00 0.00 C ATOM 1014 O VAL A 68 -8.092 -0.254 14.346 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.611 2.736 15.757 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.004 2.376 17.199 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.777 4.016 15.780 1.00 0.00 C ATOM 0 H VAL A 68 -7.361 2.047 13.120 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.814 1.550 15.646 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.518 2.873 15.169 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.598 3.184 17.627 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.590 1.457 17.198 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.104 2.232 17.796 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.360 4.822 16.225 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.875 3.852 16.369 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.500 4.288 14.761 1.00 0.00 H new ATOM 1027 N THR A 69 -7.342 -0.321 16.436 1.00 0.00 N ATOM 1028 CA THR A 69 -7.919 -1.660 16.756 1.00 0.00 C ATOM 1029 C THR A 69 -8.944 -1.520 17.877 1.00 0.00 C ATOM 1030 O THR A 69 -8.975 -0.531 18.585 1.00 0.00 O ATOM 1031 CB THR A 69 -6.802 -2.610 17.208 1.00 0.00 C ATOM 1032 OG1 THR A 69 -6.006 -1.991 18.215 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.924 -2.967 16.011 1.00 0.00 C ATOM 0 H THR A 69 -6.831 0.102 17.211 1.00 0.00 H new ATOM 0 HA THR A 69 -8.402 -2.064 15.866 1.00 0.00 H new ATOM 0 HB THR A 69 -7.250 -3.515 17.619 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.460 -1.284 17.812 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.130 -3.642 16.331 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.530 -3.455 15.248 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.484 -2.059 15.599 1.00 0.00 H new ATOM 1041 N SER A 70 -9.799 -2.502 17.996 1.00 0.00 N ATOM 1042 CA SER A 70 -10.880 -2.497 19.031 1.00 0.00 C ATOM 1043 C SER A 70 -10.269 -2.512 20.428 1.00 0.00 C ATOM 1044 O SER A 70 -10.797 -1.917 21.353 1.00 0.00 O ATOM 1045 CB SER A 70 -11.751 -3.739 18.838 1.00 0.00 C ATOM 1046 OG SER A 70 -12.953 -3.595 19.586 1.00 0.00 O ATOM 0 H SER A 70 -9.794 -3.331 17.402 1.00 0.00 H new ATOM 0 HA SER A 70 -11.484 -1.596 18.924 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.981 -3.874 17.781 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.212 -4.629 19.163 1.00 0.00 H new ATOM 0 HG SER A 70 -13.513 -4.390 19.462 1.00 0.00 H new ATOM 1052 N SER A 71 -9.161 -3.186 20.567 1.00 0.00 N ATOM 1053 CA SER A 71 -8.462 -3.271 21.889 1.00 0.00 C ATOM 1054 C SER A 71 -7.989 -1.877 22.319 1.00 0.00 C ATOM 1055 O SER A 71 -7.680 -1.660 23.480 1.00 0.00 O ATOM 1056 CB SER A 71 -7.252 -4.197 21.768 1.00 0.00 C ATOM 1057 OG SER A 71 -6.573 -3.925 20.549 1.00 0.00 O ATOM 0 H SER A 71 -8.700 -3.691 19.810 1.00 0.00 H new ATOM 0 HA SER A 71 -9.154 -3.664 22.634 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.580 -4.048 22.613 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.572 -5.239 21.795 1.00 0.00 H new ATOM 0 HG SER A 71 -5.795 -4.516 20.469 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.919 -0.941 21.390 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.456 0.443 21.722 1.00 0.00 C ATOM 1065 C GLY A 72 -5.987 0.618 21.298 1.00 0.00 C ATOM 1066 O GLY A 72 -5.368 1.615 21.635 1.00 0.00 O ATOM 0 H GLY A 72 -8.166 -1.084 20.411 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.081 1.177 21.213 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.559 0.624 22.792 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.423 -0.341 20.570 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.989 -0.227 20.134 1.00 0.00 C ATOM 1072 C GLN A 73 -3.921 0.310 18.699 1.00 0.00 C ATOM 1073 O GLN A 73 -4.866 0.190 17.952 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.325 -1.603 20.204 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.322 -2.088 21.654 1.00 0.00 C ATOM 1076 CD GLN A 73 -2.137 -1.469 22.399 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -1.052 -2.012 22.394 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -2.303 -0.346 23.044 1.00 0.00 N ATOM 0 H GLN A 73 -5.899 -1.190 20.265 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.465 0.463 20.795 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.861 -2.311 19.572 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.305 -1.547 19.825 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.256 -1.812 22.143 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.256 -3.176 21.684 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.215 0.110 23.048 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.520 0.075 23.544 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.808 0.905 18.315 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.669 1.458 16.935 1.00 0.00 C ATOM 1089 C HIS A 74 -1.568 0.693 16.211 1.00 0.00 C ATOM 1090 O HIS A 74 -0.678 0.141 16.839 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.250 2.920 17.013 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.428 3.800 17.337 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.583 5.055 16.768 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.503 3.634 18.175 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.713 5.590 17.268 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -5.312 4.767 18.130 1.00 0.00 N ATOM 0 H HIS A 74 -1.988 1.028 18.909 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.619 1.366 16.409 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.480 3.042 17.775 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.811 3.228 16.064 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.692 2.758 18.778 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.089 6.567 17.003 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.177 4.932 18.645 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.626 0.664 14.898 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.589 -0.061 14.100 1.00 0.00 C ATOM 1106 C GLU A 75 -0.265 0.725 12.833 1.00 0.00 C ATOM 1107 O GLU A 75 -0.758 1.824 12.631 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.087 -1.456 13.713 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.258 -2.336 14.957 1.00 0.00 C ATOM 1110 CD GLU A 75 -2.487 -3.232 14.785 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -3.537 -2.706 14.453 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -2.356 -4.429 14.988 1.00 0.00 O ATOM 0 H GLU A 75 -2.354 1.116 14.344 1.00 0.00 H new ATOM 0 HA GLU A 75 0.308 -0.160 14.712 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.038 -1.375 13.186 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.380 -1.922 13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.368 -2.947 15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.371 -1.712 15.844 1.00 0.00 H new ATOM 1119 N GLY A 76 0.576 0.164 11.989 1.00 0.00 N ATOM 1120 CA GLY A 76 0.978 0.851 10.723 1.00 0.00 C ATOM 1121 C GLY A 76 1.636 2.186 11.074 1.00 0.00 C ATOM 1122 O GLY A 76 2.333 2.293 12.070 1.00 0.00 O ATOM 0 H GLY A 76 1.003 -0.751 12.130 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.670 0.226 10.158 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.106 1.015 10.089 1.00 0.00 H new ATOM 1126 N ARG A 77 1.406 3.196 10.267 1.00 0.00 N ATOM 1127 CA ARG A 77 1.994 4.551 10.534 1.00 0.00 C ATOM 1128 C ARG A 77 3.528 4.448 10.670 1.00 0.00 C ATOM 1129 O ARG A 77 4.154 5.306 11.274 1.00 0.00 O ATOM 1130 CB ARG A 77 1.391 5.102 11.838 1.00 0.00 C ATOM 1131 CG ARG A 77 0.603 6.385 11.549 1.00 0.00 C ATOM 1132 CD ARG A 77 1.486 7.604 11.831 1.00 0.00 C ATOM 1133 NE ARG A 77 0.825 8.830 11.300 1.00 0.00 N ATOM 1134 CZ ARG A 77 0.860 9.941 11.985 1.00 0.00 C ATOM 1135 NH1 ARG A 77 2.001 10.405 12.419 1.00 0.00 N ATOM 1136 NH2 ARG A 77 -0.244 10.590 12.235 1.00 0.00 N ATOM 0 H ARG A 77 0.831 3.140 9.427 1.00 0.00 H new ATOM 0 HA ARG A 77 1.764 5.220 9.705 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.736 4.357 12.289 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.184 5.306 12.557 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.273 6.395 10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.293 6.421 12.169 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.654 7.704 12.903 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.463 7.474 11.366 1.00 0.00 H new ATOM 0 HE ARG A 77 0.345 8.801 10.401 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.865 9.899 12.223 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.028 11.273 12.954 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.136 10.230 11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.215 11.458 12.770 1.00 0.00 H new ATOM 1150 N LEU A 78 4.129 3.404 10.122 1.00 0.00 N ATOM 1151 CA LEU A 78 5.612 3.227 10.220 1.00 0.00 C ATOM 1152 C LEU A 78 6.331 4.073 9.162 1.00 0.00 C ATOM 1153 O LEU A 78 7.527 4.283 9.262 1.00 0.00 O ATOM 1154 CB LEU A 78 5.965 1.751 10.023 1.00 0.00 C ATOM 1155 CG LEU A 78 5.530 0.958 11.256 1.00 0.00 C ATOM 1156 CD1 LEU A 78 5.503 -0.534 10.917 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.516 1.211 12.406 1.00 0.00 C ATOM 0 H LEU A 78 3.645 2.667 9.609 1.00 0.00 H new ATOM 0 HA LEU A 78 5.937 3.556 11.207 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.470 1.362 9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.038 1.640 9.865 1.00 0.00 H new ATOM 0 HG LEU A 78 4.534 1.278 11.562 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.193 -1.101 11.795 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.798 -0.710 10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.498 -0.855 10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.204 0.645 13.284 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.515 0.894 12.106 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.530 2.274 12.646 1.00 0.00 H new ATOM 1169 N LEU A 79 5.616 4.562 8.158 1.00 0.00 N ATOM 1170 CA LEU A 79 6.255 5.405 7.096 1.00 0.00 C ATOM 1171 C LEU A 79 6.928 6.616 7.755 1.00 0.00 C ATOM 1172 O LEU A 79 6.304 7.645 7.978 1.00 0.00 O ATOM 1173 CB LEU A 79 5.181 5.871 6.106 1.00 0.00 C ATOM 1174 CG LEU A 79 5.843 6.321 4.802 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.939 5.961 3.620 1.00 0.00 C ATOM 1176 CD2 LEU A 79 6.064 7.837 4.835 1.00 0.00 C ATOM 0 H LEU A 79 4.615 4.408 8.036 1.00 0.00 H new ATOM 0 HA LEU A 79 7.006 4.826 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.479 5.061 5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.608 6.692 6.536 1.00 0.00 H new ATOM 0 HG LEU A 79 6.804 5.818 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.410 6.281 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.785 4.882 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.978 6.463 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.536 8.156 3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.105 8.342 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.709 8.092 5.676 1.00 0.00 H new ATOM 1188 N GLN A 80 8.194 6.480 8.083 1.00 0.00 N ATOM 1189 CA GLN A 80 8.944 7.588 8.747 1.00 0.00 C ATOM 1190 C GLN A 80 10.239 7.862 7.990 1.00 0.00 C ATOM 1191 O GLN A 80 10.537 7.224 6.993 1.00 0.00 O ATOM 1192 CB GLN A 80 9.273 7.191 10.187 1.00 0.00 C ATOM 1193 CG GLN A 80 7.974 6.990 10.973 1.00 0.00 C ATOM 1194 CD GLN A 80 7.304 8.344 11.230 1.00 0.00 C ATOM 1195 OE1 GLN A 80 7.965 9.326 11.507 1.00 0.00 O ATOM 1196 NE2 GLN A 80 6.004 8.436 11.154 1.00 0.00 N ATOM 0 H GLN A 80 8.742 5.636 7.915 1.00 0.00 H new ATOM 0 HA GLN A 80 8.328 8.488 8.746 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.862 6.274 10.197 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.880 7.964 10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.299 6.340 10.416 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.185 6.493 11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.447 7.614 10.922 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.545 9.330 11.327 1.00 0.00 H new ATOM 1205 N ASP A 81 10.993 8.819 8.467 1.00 0.00 N ATOM 1206 CA ASP A 81 12.277 9.196 7.812 1.00 0.00 C ATOM 1207 C ASP A 81 13.364 8.162 8.117 1.00 0.00 C ATOM 1208 O ASP A 81 13.923 8.131 9.200 1.00 0.00 O ATOM 1209 CB ASP A 81 12.734 10.565 8.324 1.00 0.00 C ATOM 1210 CG ASP A 81 11.645 11.608 8.059 1.00 0.00 C ATOM 1211 OD1 ASP A 81 10.540 11.417 8.539 1.00 0.00 O ATOM 1212 OD2 ASP A 81 11.938 12.581 7.384 1.00 0.00 O ATOM 0 H ASP A 81 10.766 9.364 9.299 1.00 0.00 H new ATOM 0 HA ASP A 81 12.115 9.234 6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.947 10.512 9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.660 10.858 7.829 1.00 0.00 H new ATOM 1217 N LEU A 82 13.689 7.357 7.133 1.00 0.00 N ATOM 1218 CA LEU A 82 14.776 6.340 7.271 1.00 0.00 C ATOM 1219 C LEU A 82 16.116 7.075 7.045 1.00 0.00 C ATOM 1220 O LEU A 82 16.100 8.228 6.636 1.00 0.00 O ATOM 1221 CB LEU A 82 14.555 5.243 6.213 1.00 0.00 C ATOM 1222 CG LEU A 82 13.502 4.245 6.720 1.00 0.00 C ATOM 1223 CD1 LEU A 82 13.014 3.372 5.562 1.00 0.00 C ATOM 1224 CD2 LEU A 82 14.122 3.346 7.794 1.00 0.00 C ATOM 0 H LEU A 82 13.235 7.364 6.220 1.00 0.00 H new ATOM 0 HA LEU A 82 14.779 5.869 8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.226 5.689 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.493 4.726 6.009 1.00 0.00 H new ATOM 0 HG LEU A 82 12.662 4.798 7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.268 2.667 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.570 4.003 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.856 2.823 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.374 2.639 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.964 2.799 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.470 3.959 8.625 1.00 0.00 H new ATOM 1236 N PRO A 83 17.245 6.431 7.321 1.00 0.00 N ATOM 1237 CA PRO A 83 18.556 7.087 7.147 1.00 0.00 C ATOM 1238 C PRO A 83 18.843 7.366 5.672 1.00 0.00 C ATOM 1239 O PRO A 83 19.273 6.501 4.928 1.00 0.00 O ATOM 1240 CB PRO A 83 19.553 6.110 7.776 1.00 0.00 C ATOM 1241 CG PRO A 83 18.852 4.735 7.803 1.00 0.00 C ATOM 1242 CD PRO A 83 17.339 5.025 7.800 1.00 0.00 C ATOM 0 HA PRO A 83 18.609 8.067 7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.474 6.066 7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.826 6.427 8.782 1.00 0.00 H new ATOM 0 HG2 PRO A 83 19.135 4.136 6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.138 4.169 8.690 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.803 4.342 7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.909 4.912 8.795 1.00 0.00 H new ATOM 1250 N GLY A 84 18.608 8.600 5.270 1.00 0.00 N ATOM 1251 CA GLY A 84 18.852 9.034 3.861 1.00 0.00 C ATOM 1252 C GLY A 84 17.520 9.131 3.086 1.00 0.00 C ATOM 1253 O GLY A 84 17.490 9.710 2.011 1.00 0.00 O ATOM 0 H GLY A 84 18.249 9.336 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.355 10.001 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.517 8.326 3.366 1.00 0.00 H new ATOM 1257 N CYS A 85 16.418 8.577 3.605 1.00 0.00 N ATOM 1258 CA CYS A 85 15.105 8.650 2.875 1.00 0.00 C ATOM 1259 C CYS A 85 14.026 9.303 3.772 1.00 0.00 C ATOM 1260 O CYS A 85 13.384 8.606 4.529 1.00 0.00 O ATOM 1261 CB CYS A 85 14.635 7.251 2.438 1.00 0.00 C ATOM 1262 SG CYS A 85 15.374 6.795 0.843 1.00 0.00 S ATOM 0 H CYS A 85 16.386 8.084 4.497 1.00 0.00 H new ATOM 0 HA CYS A 85 15.253 9.261 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.910 6.517 3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.548 7.235 2.359 1.00 0.00 H new ATOM 1267 N PRO A 86 13.848 10.620 3.685 1.00 0.00 N ATOM 1268 CA PRO A 86 12.849 11.326 4.523 1.00 0.00 C ATOM 1269 C PRO A 86 11.428 11.017 4.059 1.00 0.00 C ATOM 1270 O PRO A 86 11.225 10.520 2.965 1.00 0.00 O ATOM 1271 CB PRO A 86 13.162 12.810 4.311 1.00 0.00 C ATOM 1272 CG PRO A 86 13.953 12.908 2.990 1.00 0.00 C ATOM 1273 CD PRO A 86 14.577 11.520 2.749 1.00 0.00 C ATOM 0 HA PRO A 86 12.904 11.024 5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.244 13.396 4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.745 13.206 5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.297 13.187 2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.725 13.674 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.452 11.202 1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.647 11.524 2.954 1.00 0.00 H new ATOM 1281 N ARG A 87 10.439 11.348 4.882 1.00 0.00 N ATOM 1282 CA ARG A 87 9.004 11.130 4.516 1.00 0.00 C ATOM 1283 C ARG A 87 8.750 11.637 3.095 1.00 0.00 C ATOM 1284 O ARG A 87 7.862 11.168 2.409 1.00 0.00 O ATOM 1285 CB ARG A 87 8.120 11.955 5.448 1.00 0.00 C ATOM 1286 CG ARG A 87 8.327 11.526 6.902 1.00 0.00 C ATOM 1287 CD ARG A 87 6.981 11.167 7.541 1.00 0.00 C ATOM 1288 NE ARG A 87 6.020 12.291 7.343 1.00 0.00 N ATOM 1289 CZ ARG A 87 4.908 12.328 8.024 1.00 0.00 C ATOM 1290 NH1 ARG A 87 4.160 11.262 8.108 1.00 0.00 N ATOM 1291 NH2 ARG A 87 4.544 13.429 8.624 1.00 0.00 N ATOM 0 H ARG A 87 10.580 11.765 5.802 1.00 0.00 H new ATOM 0 HA ARG A 87 8.781 10.066 4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.354 13.014 5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.073 11.830 5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.999 10.669 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.802 12.331 7.463 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.586 10.254 7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.113 10.970 8.605 1.00 0.00 H new ATOM 0 HE ARG A 87 6.233 13.031 6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.445 10.401 7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.290 11.290 8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.129 14.262 8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.674 13.456 9.156 1.00 0.00 H new ATOM 1305 N GLN A 88 9.521 12.624 2.685 1.00 0.00 N ATOM 1306 CA GLN A 88 9.347 13.233 1.322 1.00 0.00 C ATOM 1307 C GLN A 88 9.511 12.180 0.208 1.00 0.00 C ATOM 1308 O GLN A 88 8.657 12.060 -0.664 1.00 0.00 O ATOM 1309 CB GLN A 88 10.384 14.342 1.127 1.00 0.00 C ATOM 1310 CG GLN A 88 9.856 15.359 0.114 1.00 0.00 C ATOM 1311 CD GLN A 88 10.154 14.873 -1.305 1.00 0.00 C ATOM 1312 OE1 GLN A 88 11.270 14.504 -1.612 1.00 0.00 O ATOM 1313 NE2 GLN A 88 9.195 14.856 -2.191 1.00 0.00 N ATOM 0 H GLN A 88 10.269 13.036 3.242 1.00 0.00 H new ATOM 0 HA GLN A 88 8.338 13.641 1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.591 14.833 2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.325 13.918 0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.782 15.494 0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 88 10.322 16.330 0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.258 15.166 -1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.383 14.533 -3.140 1.00 0.00 H new ATOM 1322 N VAL A 89 10.600 11.434 0.221 1.00 0.00 N ATOM 1323 CA VAL A 89 10.849 10.409 -0.833 1.00 0.00 C ATOM 1324 C VAL A 89 9.780 9.325 -0.754 1.00 0.00 C ATOM 1325 O VAL A 89 9.261 8.877 -1.770 1.00 0.00 O ATOM 1326 CB VAL A 89 12.235 9.818 -0.591 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.555 8.759 -1.647 1.00 0.00 C ATOM 1328 CG2 VAL A 89 13.253 10.939 -0.673 1.00 0.00 C ATOM 0 H VAL A 89 11.330 11.500 0.930 1.00 0.00 H new ATOM 0 HA VAL A 89 10.806 10.854 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 89 12.265 9.346 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.547 8.347 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.815 7.960 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.531 9.214 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.252 10.537 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.210 11.398 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.030 11.689 0.085 1.00 0.00 H new ATOM 1338 N GLN A 90 9.444 8.924 0.445 1.00 0.00 N ATOM 1339 CA GLN A 90 8.396 7.878 0.637 1.00 0.00 C ATOM 1340 C GLN A 90 7.059 8.413 0.115 1.00 0.00 C ATOM 1341 O GLN A 90 6.194 7.648 -0.269 1.00 0.00 O ATOM 1342 CB GLN A 90 8.278 7.526 2.129 1.00 0.00 C ATOM 1343 CG GLN A 90 8.207 6.000 2.306 1.00 0.00 C ATOM 1344 CD GLN A 90 9.221 5.546 3.360 1.00 0.00 C ATOM 1345 OE1 GLN A 90 8.889 4.794 4.255 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.452 5.973 3.293 1.00 0.00 N ATOM 0 H GLN A 90 9.855 9.281 1.308 1.00 0.00 H new ATOM 0 HA GLN A 90 8.668 6.977 0.087 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.134 7.924 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.387 7.991 2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.201 5.707 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.412 5.506 1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.733 6.604 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.134 5.676 3.991 1.00 0.00 H new ATOM 1355 N ARG A 91 6.893 9.724 0.107 1.00 0.00 N ATOM 1356 CA ARG A 91 5.621 10.339 -0.389 1.00 0.00 C ATOM 1357 C ARG A 91 5.616 10.363 -1.926 1.00 0.00 C ATOM 1358 O ARG A 91 4.572 10.228 -2.541 1.00 0.00 O ATOM 1359 CB ARG A 91 5.480 11.769 0.162 1.00 0.00 C ATOM 1360 CG ARG A 91 4.137 11.920 0.882 1.00 0.00 C ATOM 1361 CD ARG A 91 4.266 11.398 2.315 1.00 0.00 C ATOM 1362 NE ARG A 91 2.913 11.289 2.928 1.00 0.00 N ATOM 1363 CZ ARG A 91 2.577 12.078 3.914 1.00 0.00 C ATOM 1364 NH1 ARG A 91 3.276 12.079 5.015 1.00 0.00 N ATOM 1365 NH2 ARG A 91 1.542 12.865 3.796 1.00 0.00 N ATOM 0 H ARG A 91 7.593 10.393 0.427 1.00 0.00 H new ATOM 0 HA ARG A 91 4.778 9.742 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.298 11.985 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.549 12.490 -0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.832 12.967 0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.363 11.367 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.757 10.425 2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.890 12.070 2.903 1.00 0.00 H new ATOM 0 HE ARG A 91 2.249 10.599 2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.085 11.464 5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.014 12.695 5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.996 12.864 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.279 13.481 4.565 1.00 0.00 H new ATOM 1379 N ALA A 92 6.775 10.534 -2.545 1.00 0.00 N ATOM 1380 CA ALA A 92 6.850 10.567 -4.042 1.00 0.00 C ATOM 1381 C ALA A 92 6.562 9.168 -4.595 1.00 0.00 C ATOM 1382 O ALA A 92 5.780 9.008 -5.516 1.00 0.00 O ATOM 1383 CB ALA A 92 8.249 11.013 -4.475 1.00 0.00 C ATOM 0 H ALA A 92 7.670 10.652 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 92 6.112 11.270 -4.429 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.303 11.037 -5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.452 12.008 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.990 10.312 -4.090 1.00 0.00 H new ATOM 1389 N PHE A 93 7.204 8.167 -4.033 1.00 0.00 N ATOM 1390 CA PHE A 93 7.002 6.750 -4.488 1.00 0.00 C ATOM 1391 C PHE A 93 5.685 6.183 -3.919 1.00 0.00 C ATOM 1392 O PHE A 93 5.127 5.246 -4.465 1.00 0.00 O ATOM 1393 CB PHE A 93 8.184 5.900 -3.996 1.00 0.00 C ATOM 1394 CG PHE A 93 7.945 4.436 -4.310 1.00 0.00 C ATOM 1395 CD1 PHE A 93 7.217 3.640 -3.414 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.436 3.886 -5.494 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.985 2.292 -3.707 1.00 0.00 C ATOM 1398 CE2 PHE A 93 8.204 2.538 -5.789 1.00 0.00 C ATOM 1399 CZ PHE A 93 7.479 1.741 -4.896 1.00 0.00 C ATOM 0 H PHE A 93 7.869 8.274 -3.267 1.00 0.00 H new ATOM 0 HA PHE A 93 6.947 6.725 -5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.105 6.236 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.314 6.032 -2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.836 4.067 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.996 4.501 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.426 1.677 -3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.584 2.113 -6.706 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.300 0.701 -5.124 1.00 0.00 H new ATOM 1409 N ALA A 94 5.229 6.715 -2.804 1.00 0.00 N ATOM 1410 CA ALA A 94 3.987 6.208 -2.125 1.00 0.00 C ATOM 1411 C ALA A 94 2.848 5.906 -3.122 1.00 0.00 C ATOM 1412 O ALA A 94 2.303 4.816 -3.081 1.00 0.00 O ATOM 1413 CB ALA A 94 3.512 7.247 -1.106 1.00 0.00 C ATOM 0 H ALA A 94 5.677 7.497 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 94 4.241 5.270 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.611 6.885 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.293 7.413 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.293 8.184 -1.617 1.00 0.00 H new ATOM 1419 N PRO A 95 2.504 6.858 -3.982 1.00 0.00 N ATOM 1420 CA PRO A 95 1.421 6.660 -4.966 1.00 0.00 C ATOM 1421 C PRO A 95 1.862 5.675 -6.049 1.00 0.00 C ATOM 1422 O PRO A 95 2.818 4.939 -5.861 1.00 0.00 O ATOM 1423 CB PRO A 95 1.147 8.063 -5.514 1.00 0.00 C ATOM 1424 CG PRO A 95 2.414 8.898 -5.230 1.00 0.00 C ATOM 1425 CD PRO A 95 3.155 8.190 -4.077 1.00 0.00 C ATOM 0 HA PRO A 95 0.518 6.225 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.937 8.028 -6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.275 8.505 -5.032 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.045 8.960 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.152 9.919 -4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.221 8.097 -4.287 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.061 8.746 -3.144 1.00 0.00 H new ATOM 1433 N LYS A 96 1.155 5.630 -7.161 1.00 0.00 N ATOM 1434 CA LYS A 96 1.502 4.661 -8.252 1.00 0.00 C ATOM 1435 C LYS A 96 1.394 3.227 -7.696 1.00 0.00 C ATOM 1436 O LYS A 96 2.037 2.310 -8.182 1.00 0.00 O ATOM 1437 CB LYS A 96 2.933 4.927 -8.739 1.00 0.00 C ATOM 1438 CG LYS A 96 2.888 5.769 -10.018 1.00 0.00 C ATOM 1439 CD LYS A 96 2.528 7.224 -9.673 1.00 0.00 C ATOM 1440 CE LYS A 96 3.698 8.146 -10.024 1.00 0.00 C ATOM 1441 NZ LYS A 96 3.678 8.437 -11.486 1.00 0.00 N ATOM 0 H LYS A 96 0.351 6.226 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 96 0.816 4.781 -9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.500 5.448 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.445 3.984 -8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.854 5.734 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.153 5.357 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.637 7.528 -10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.293 7.308 -8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.627 9.074 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.642 7.675 -9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.473 9.064 -11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.765 7.548 -12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.782 8.903 -11.735 1.00 0.00 H new ATOM 1455 N LEU A 97 0.591 3.049 -6.661 1.00 0.00 N ATOM 1456 CA LEU A 97 0.420 1.702 -6.013 1.00 0.00 C ATOM 1457 C LEU A 97 -0.419 0.758 -6.892 1.00 0.00 C ATOM 1458 O LEU A 97 0.098 -0.229 -7.399 1.00 0.00 O ATOM 1459 CB LEU A 97 -0.276 1.890 -4.666 1.00 0.00 C ATOM 1460 CG LEU A 97 0.723 2.460 -3.658 1.00 0.00 C ATOM 1461 CD1 LEU A 97 -0.008 3.379 -2.676 1.00 0.00 C ATOM 1462 CD2 LEU A 97 1.383 1.309 -2.895 1.00 0.00 C ATOM 0 H LEU A 97 0.040 3.794 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 97 1.404 1.253 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.126 2.563 -4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.667 0.937 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 97 1.487 3.033 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.705 3.785 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.477 4.197 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.773 2.811 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.096 1.711 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.619 0.737 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.904 0.658 -3.597 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.705 1.032 -7.070 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.570 0.139 -7.909 1.00 0.00 C ATOM 1476 C VAL A 98 -2.476 0.516 -9.395 1.00 0.00 C ATOM 1477 O VAL A 98 -3.366 0.202 -10.176 1.00 0.00 O ATOM 1478 CB VAL A 98 -4.019 0.253 -7.443 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -4.078 -0.022 -5.952 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.570 1.661 -7.725 1.00 0.00 C ATOM 0 H VAL A 98 -2.184 1.837 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.221 -0.887 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.626 -0.472 -7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.109 0.057 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.705 -1.026 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.463 0.706 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.604 1.722 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.970 2.400 -7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.527 1.861 -8.796 1.00 0.00 H new ATOM 1490 N THR A 99 -1.417 1.174 -9.786 1.00 0.00 N ATOM 1491 CA THR A 99 -1.247 1.556 -11.217 1.00 0.00 C ATOM 1492 C THR A 99 -0.308 0.547 -11.879 1.00 0.00 C ATOM 1493 O THR A 99 0.249 -0.303 -11.206 1.00 0.00 O ATOM 1494 CB THR A 99 -0.657 2.971 -11.317 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.696 2.966 -10.877 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.464 3.919 -10.441 1.00 0.00 C ATOM 0 H THR A 99 -0.658 1.465 -9.170 1.00 0.00 H new ATOM 0 HA THR A 99 -2.213 1.551 -11.722 1.00 0.00 H new ATOM 0 HB THR A 99 -0.697 3.301 -12.355 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.232 3.544 -11.460 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.046 4.923 -10.511 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.500 3.933 -10.778 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.424 3.581 -9.406 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.127 0.622 -13.184 1.00 0.00 N ATOM 1505 CA GLU A 100 0.784 -0.342 -13.873 1.00 0.00 C ATOM 1506 C GLU A 100 2.235 -0.268 -13.311 1.00 0.00 C ATOM 1507 O GLU A 100 3.074 -1.045 -13.741 1.00 0.00 O ATOM 1508 CB GLU A 100 0.800 -0.013 -15.373 1.00 0.00 C ATOM 1509 CG GLU A 100 0.488 -1.268 -16.191 1.00 0.00 C ATOM 1510 CD GLU A 100 0.904 -1.044 -17.645 1.00 0.00 C ATOM 1511 OE1 GLU A 100 0.509 -0.034 -18.206 1.00 0.00 O ATOM 1512 OE2 GLU A 100 1.610 -1.886 -18.175 1.00 0.00 O ATOM 0 H GLU A 100 -0.572 1.308 -13.793 1.00 0.00 H new ATOM 0 HA GLU A 100 0.414 -1.352 -13.700 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.067 0.764 -15.591 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.776 0.382 -15.656 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.018 -2.126 -15.778 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.577 -1.495 -16.137 1.00 0.00 H new ATOM 1519 N VAL A 101 2.562 0.647 -12.382 1.00 0.00 N ATOM 1520 CA VAL A 101 3.966 0.727 -11.859 1.00 0.00 C ATOM 1521 C VAL A 101 4.147 -0.141 -10.600 1.00 0.00 C ATOM 1522 O VAL A 101 5.236 -0.182 -10.047 1.00 0.00 O ATOM 1523 CB VAL A 101 4.298 2.185 -11.516 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.788 2.307 -11.193 1.00 0.00 C ATOM 1525 CG2 VAL A 101 3.964 3.085 -12.710 1.00 0.00 C ATOM 0 H VAL A 101 1.913 1.324 -11.981 1.00 0.00 H new ATOM 0 HA VAL A 101 4.638 0.355 -12.632 1.00 0.00 H new ATOM 0 HB VAL A 101 3.709 2.494 -10.652 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.024 3.343 -10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.029 1.670 -10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.374 1.995 -12.057 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.201 4.120 -12.463 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.551 2.775 -13.575 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.902 3.002 -12.943 1.00 0.00 H new ATOM 1535 N GLU A 102 3.108 -0.822 -10.134 1.00 0.00 N ATOM 1536 CA GLU A 102 3.255 -1.671 -8.901 1.00 0.00 C ATOM 1537 C GLU A 102 2.471 -2.994 -9.036 1.00 0.00 C ATOM 1538 O GLU A 102 3.026 -3.985 -9.482 1.00 0.00 O ATOM 1539 CB GLU A 102 2.771 -0.876 -7.677 1.00 0.00 C ATOM 1540 CG GLU A 102 3.975 -0.400 -6.858 1.00 0.00 C ATOM 1541 CD GLU A 102 4.474 -1.543 -5.970 1.00 0.00 C ATOM 1542 OE1 GLU A 102 4.896 -2.549 -6.516 1.00 0.00 O ATOM 1543 OE2 GLU A 102 4.426 -1.390 -4.760 1.00 0.00 O ATOM 0 H GLU A 102 2.178 -0.823 -10.553 1.00 0.00 H new ATOM 0 HA GLU A 102 4.307 -1.927 -8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.178 -0.020 -7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.123 -1.499 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.772 -0.068 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.695 0.456 -6.244 1.00 0.00 H new ATOM 1550 N CYS A 103 1.202 -3.029 -8.640 1.00 0.00 N ATOM 1551 CA CYS A 103 0.401 -4.304 -8.730 1.00 0.00 C ATOM 1552 C CYS A 103 -1.076 -3.966 -9.077 1.00 0.00 C ATOM 1553 O CYS A 103 -1.997 -4.514 -8.488 1.00 0.00 O ATOM 1554 CB CYS A 103 0.457 -5.032 -7.370 1.00 0.00 C ATOM 1555 SG CYS A 103 2.176 -5.270 -6.845 1.00 0.00 S ATOM 0 H CYS A 103 0.694 -2.230 -8.261 1.00 0.00 H new ATOM 0 HA CYS A 103 0.816 -4.945 -9.508 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.082 -4.454 -6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.043 -5.998 -7.447 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.304 -3.035 -10.004 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.703 -2.604 -10.384 1.00 0.00 C ATOM 1562 C ASN A 104 -3.729 -3.753 -10.372 1.00 0.00 C ATOM 1563 O ASN A 104 -4.673 -3.707 -9.599 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.693 -1.931 -11.769 1.00 0.00 C ATOM 1565 CG ASN A 104 -1.906 -2.766 -12.785 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -0.771 -3.130 -12.550 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -2.466 -3.081 -13.922 1.00 0.00 N ATOM 0 H ASN A 104 -0.565 -2.553 -10.516 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.020 -1.895 -9.619 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.717 -1.798 -12.119 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.251 -0.938 -11.690 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.951 -3.631 -14.609 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.419 -2.777 -14.123 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.565 -4.767 -11.204 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.552 -5.914 -11.231 1.00 0.00 C ATOM 1576 C LEU A 105 -6.019 -5.396 -11.243 1.00 0.00 C ATOM 1577 O LEU A 105 -6.922 -6.072 -10.770 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.331 -6.781 -9.982 1.00 0.00 C ATOM 1579 CG LEU A 105 -3.078 -7.651 -10.160 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.264 -7.650 -8.863 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -3.494 -9.087 -10.497 1.00 0.00 C ATOM 0 H LEU A 105 -2.792 -4.851 -11.865 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.390 -6.495 -12.139 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.220 -6.146 -9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.202 -7.414 -9.810 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.472 -7.247 -10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.375 -8.268 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.965 -6.630 -8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.871 -8.052 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.604 -9.704 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.102 -9.489 -9.687 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.072 -9.091 -11.421 1.00 0.00 H new ATOM 1593 N ALA A 106 -6.259 -4.204 -11.776 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.649 -3.623 -11.819 1.00 0.00 C ATOM 1595 C ALA A 106 -8.080 -3.242 -10.397 1.00 0.00 C ATOM 1596 O ALA A 106 -7.644 -3.848 -9.432 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.635 -4.641 -12.413 1.00 0.00 C ATOM 0 H ALA A 106 -5.540 -3.608 -12.186 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.649 -2.735 -12.451 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.635 -4.207 -12.438 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.326 -4.898 -13.426 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.645 -5.540 -11.797 1.00 0.00 H new ATOM 1603 N THR A 107 -8.922 -2.233 -10.271 1.00 0.00 N ATOM 1604 CA THR A 107 -9.385 -1.779 -8.913 1.00 0.00 C ATOM 1605 C THR A 107 -10.922 -1.839 -8.866 1.00 0.00 C ATOM 1606 O THR A 107 -11.543 -2.462 -9.711 1.00 0.00 O ATOM 1607 CB THR A 107 -8.893 -0.326 -8.644 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.757 0.622 -9.266 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.491 -0.128 -9.219 1.00 0.00 C ATOM 0 H THR A 107 -9.308 -1.704 -11.053 1.00 0.00 H new ATOM 0 HA THR A 107 -8.972 -2.431 -8.143 1.00 0.00 H new ATOM 0 HB THR A 107 -8.888 -0.174 -7.565 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.345 1.511 -9.234 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.159 0.892 -9.024 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.802 -0.830 -8.749 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.511 -0.304 -10.294 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.528 -1.181 -7.895 1.00 0.00 N ATOM 1618 CA ILE A 108 -13.023 -1.163 -7.788 1.00 0.00 C ATOM 1619 C ILE A 108 -13.588 -0.406 -8.999 1.00 0.00 C ATOM 1620 O ILE A 108 -14.675 -0.688 -9.472 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.431 -0.457 -6.483 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.958 -0.436 -6.360 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -12.903 0.982 -6.478 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.472 -1.861 -6.155 1.00 0.00 C ATOM 0 H ILE A 108 -11.043 -0.653 -7.169 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.417 -2.179 -7.775 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.004 -1.001 -5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.257 0.194 -5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.400 -0.004 -7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.196 1.474 -5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.816 0.971 -6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.321 1.526 -7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.558 -1.847 -6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.185 -2.477 -7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.040 -2.276 -5.244 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.836 0.560 -9.487 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.259 1.387 -10.661 1.00 0.00 C ATOM 1638 C HIS A 109 -13.117 0.617 -11.991 1.00 0.00 C ATOM 1639 O HIS A 109 -13.335 1.187 -13.048 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.372 2.624 -10.695 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.607 3.447 -9.460 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -12.043 3.406 -8.210 1.00 0.00 N flip ATOM 1643 CD2 HIS A 109 -13.531 4.478 -9.427 1.00 0.00 C flip ATOM 1644 CE1 HIS A 109 -12.606 4.394 -7.410 1.00 0.00 C flip ATOM 1645 NE2 HIS A 109 -13.495 5.011 -8.193 1.00 0.00 N flip ATOM 0 H HIS A 109 -11.924 0.812 -9.107 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.311 1.650 -10.551 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.324 2.331 -10.755 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.589 3.215 -11.585 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -14.164 4.796 -10.242 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -12.375 4.615 -6.378 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -14.077 5.793 -7.891 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.768 -0.662 -11.955 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.625 -1.462 -13.214 1.00 0.00 C ATOM 1655 C GLY A 110 -11.592 -0.809 -14.132 1.00 0.00 C ATOM 1656 O GLY A 110 -11.704 -0.880 -15.345 1.00 0.00 O ATOM 0 H GLY A 110 -12.577 -1.180 -11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.319 -2.481 -12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.586 -1.529 -13.724 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.591 -0.176 -13.556 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.534 0.495 -14.376 1.00 0.00 C ATOM 1662 C GLY A 111 -8.307 0.811 -13.502 1.00 0.00 C ATOM 1663 O GLY A 111 -8.365 0.650 -12.296 1.00 0.00 O ATOM 0 H GLY A 111 -10.464 -0.097 -12.547 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.243 -0.149 -15.206 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.928 1.414 -14.809 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.226 1.258 -14.133 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.976 1.610 -13.423 1.00 0.00 C ATOM 1669 C PRO A 112 -6.117 2.961 -12.704 1.00 0.00 C ATOM 1670 O PRO A 112 -5.651 3.987 -13.184 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.928 1.675 -14.546 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.701 1.908 -15.861 1.00 0.00 C ATOM 1673 CD PRO A 112 -7.147 1.453 -15.607 1.00 0.00 C ATOM 0 HA PRO A 112 -5.709 0.894 -12.646 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.218 2.482 -14.366 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.354 0.750 -14.593 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.670 2.959 -16.147 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.255 1.342 -16.678 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.863 2.201 -15.947 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.372 0.530 -16.142 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.749 2.960 -11.543 1.00 0.00 N ATOM 1682 CA PHE A 113 -6.921 4.228 -10.756 1.00 0.00 C ATOM 1683 C PHE A 113 -7.810 4.001 -9.523 1.00 0.00 C ATOM 1684 O PHE A 113 -8.446 2.971 -9.378 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.538 5.346 -11.632 1.00 0.00 C ATOM 1686 CG PHE A 113 -8.770 4.897 -12.431 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -9.410 3.662 -12.206 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -9.277 5.760 -13.416 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -10.538 3.305 -12.959 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -10.404 5.399 -14.167 1.00 0.00 C ATOM 1691 CZ PHE A 113 -11.034 4.171 -13.938 1.00 0.00 C ATOM 0 H PHE A 113 -7.153 2.130 -11.109 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.930 4.538 -10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.816 6.184 -10.993 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.780 5.712 -12.325 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -9.031 2.989 -11.452 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.795 6.709 -13.596 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -11.025 2.358 -12.782 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.786 6.069 -14.923 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.902 3.892 -14.517 1.00 0.00 H new