USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 794 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 110 MET CE :methyl 145:sc= -0.831 (180deg=-2.4!) USER MOD Set 1.2: A 113 ASN : amide:sc= -2.01 K(o=-2.8,f=-9.1!) USER MOD Set 2.1: A 67 CYS SG : rot -140:sc= -0.326 USER MOD Set 2.2: A 83 THR OG1 : rot 92:sc= 1.19 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 0.0676 (180deg=-0.372) USER MOD Single : A 27 ASN : amide:sc= -2.22 K(o=-2.2,f=-5.6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.969 USER MOD Single : A 40 TYR OH : rot -147:sc= 0.619 USER MOD Single : A 41 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.29) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00449 USER MOD Single : A 46 GLN : amide:sc= -0.055 K(o=-0.055,f=-1.4!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.241 F(o=-0.78,f=-0.24) USER MOD Single : A 57 ASN : amide:sc= -0.981 X(o=-0.98,f=-0.96) USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= -0.0602 (180deg=-0.413) USER MOD Single : A 65 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.28) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 95 CYS SG : rot 110:sc= -5.25! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -168:sc= -0.0102 (180deg=-0.152) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -63:sc= 1.1 USER MOD Single : A 115 THR OG1 : rot -15:sc= 0.709 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.606 6.459 9.026 1.00 0.00 N ATOM 67 CA LEU A 8 -1.061 5.161 8.541 1.00 0.00 C ATOM 68 C LEU A 8 -2.262 5.316 7.614 1.00 0.00 C ATOM 69 O LEU A 8 -3.126 6.165 7.837 1.00 0.00 O ATOM 70 CB LEU A 8 -1.425 4.254 9.718 1.00 0.00 C ATOM 71 CG LEU A 8 -1.239 2.753 9.491 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.125 2.022 10.820 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.389 2.192 8.668 1.00 0.00 C ATOM 0 HA LEU A 8 -0.247 4.706 7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.823 4.549 10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.467 4.435 9.982 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.313 2.601 8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.993 0.955 10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.267 2.405 11.373 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.033 2.181 11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.240 1.123 8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.328 2.356 9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.424 2.694 7.701 1.00 0.00 H new ATOM 85 N VAL A 9 -2.311 4.490 6.574 1.00 0.00 N ATOM 86 CA VAL A 9 -3.408 4.534 5.614 1.00 0.00 C ATOM 87 C VAL A 9 -4.472 3.494 5.949 1.00 0.00 C ATOM 88 O VAL A 9 -5.653 3.819 6.078 1.00 0.00 O ATOM 89 CB VAL A 9 -2.907 4.295 4.178 1.00 0.00 C ATOM 90 CG1 VAL A 9 -4.079 4.194 3.213 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.953 5.402 3.756 1.00 0.00 C ATOM 0 H VAL A 9 -1.604 3.782 6.375 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.845 5.531 5.677 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.365 3.350 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.705 4.025 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.721 3.363 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.652 5.121 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.609 5.217 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.469 6.362 3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.097 5.422 4.431 1.00 0.00 H new ATOM 101 N ARG A 10 -4.046 2.243 6.089 1.00 0.00 N ATOM 102 CA ARG A 10 -4.962 1.155 6.408 1.00 0.00 C ATOM 103 C ARG A 10 -4.196 -0.121 6.744 1.00 0.00 C ATOM 104 O ARG A 10 -3.057 -0.304 6.316 1.00 0.00 O ATOM 105 CB ARG A 10 -5.911 0.898 5.235 1.00 0.00 C ATOM 106 CG ARG A 10 -7.191 0.181 5.633 1.00 0.00 C ATOM 107 CD ARG A 10 -7.853 -0.482 4.435 1.00 0.00 C ATOM 108 NE ARG A 10 -8.788 -1.529 4.837 1.00 0.00 N ATOM 109 CZ ARG A 10 -9.779 -1.965 4.067 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.962 -1.447 2.860 1.00 0.00 N ATOM 111 NH2 ARG A 10 -10.589 -2.921 4.503 1.00 0.00 N ATOM 0 H ARG A 10 -3.072 1.958 5.986 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.545 1.449 7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.167 1.850 4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.392 0.306 4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.968 -0.571 6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.882 0.892 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.381 0.271 3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.087 -0.909 3.788 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.674 -1.949 5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.341 -0.712 2.521 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.724 -1.783 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.451 -3.322 5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.349 -3.255 3.911 1.00 0.00 H new ATOM 125 N GLY A 11 -4.829 -1.000 7.515 1.00 0.00 N ATOM 126 CA GLY A 11 -4.191 -2.246 7.897 1.00 0.00 C ATOM 127 C GLY A 11 -5.160 -3.412 7.915 1.00 0.00 C ATOM 128 O GLY A 11 -6.324 -3.266 7.542 1.00 0.00 O ATOM 0 H GLY A 11 -5.772 -0.871 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.379 -2.463 7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.744 -2.134 8.885 1.00 0.00 H new ATOM 132 N GLY A 12 -4.679 -4.573 8.348 1.00 0.00 N ATOM 133 CA GLY A 12 -5.524 -5.752 8.403 1.00 0.00 C ATOM 134 C GLY A 12 -4.746 -7.034 8.184 1.00 0.00 C ATOM 135 O GLY A 12 -3.753 -7.048 7.456 1.00 0.00 O ATOM 0 H GLY A 12 -3.719 -4.718 8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.021 -5.794 9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.305 -5.671 7.647 1.00 0.00 H new ATOM 139 N TRP A 13 -5.195 -8.112 8.816 1.00 0.00 N ATOM 140 CA TRP A 13 -4.532 -9.405 8.687 1.00 0.00 C ATOM 141 C TRP A 13 -4.719 -9.975 7.285 1.00 0.00 C ATOM 142 O TRP A 13 -5.834 -10.018 6.765 1.00 0.00 O ATOM 143 CB TRP A 13 -5.077 -10.386 9.726 1.00 0.00 C ATOM 144 CG TRP A 13 -4.621 -10.086 11.122 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.249 -9.290 12.037 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.437 -10.578 11.761 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.527 -9.256 13.206 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.412 -10.039 13.062 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.398 -11.422 11.362 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.387 -10.317 13.963 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.382 -11.697 12.257 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.382 -11.147 13.545 1.00 0.00 C ATOM 0 H TRP A 13 -6.015 -8.117 9.423 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.466 -9.258 8.860 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.166 -10.368 9.696 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.767 -11.396 9.459 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.177 -8.764 11.867 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.780 -8.733 14.044 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.389 -11.852 10.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.385 -9.893 14.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.573 -12.348 11.958 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.574 -11.382 14.221 1.00 0.00 H new ATOM 163 N LEU A 14 -3.621 -10.411 6.678 1.00 0.00 N ATOM 164 CA LEU A 14 -3.664 -10.980 5.335 1.00 0.00 C ATOM 165 C LEU A 14 -2.839 -12.260 5.259 1.00 0.00 C ATOM 166 O LEU A 14 -1.777 -12.363 5.873 1.00 0.00 O ATOM 167 CB LEU A 14 -3.146 -9.965 4.314 1.00 0.00 C ATOM 168 CG LEU A 14 -4.009 -8.720 4.108 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.263 -7.684 3.282 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.327 -9.088 3.442 1.00 0.00 C ATOM 0 H LEU A 14 -2.690 -10.382 7.094 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.701 -11.224 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.150 -9.646 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.036 -10.469 3.354 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.227 -8.287 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.893 -6.805 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.347 -7.397 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.013 -8.106 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.928 -8.189 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.130 -9.546 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.869 -9.793 4.072 1.00 0.00 H new ATOM 182 N TRP A 15 -3.334 -13.232 4.502 1.00 0.00 N ATOM 183 CA TRP A 15 -2.642 -14.506 4.344 1.00 0.00 C ATOM 184 C TRP A 15 -1.509 -14.388 3.331 1.00 0.00 C ATOM 185 O TRP A 15 -1.745 -14.147 2.147 1.00 0.00 O ATOM 186 CB TRP A 15 -3.624 -15.593 3.905 1.00 0.00 C ATOM 187 CG TRP A 15 -4.556 -16.028 4.996 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.877 -15.706 5.121 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.236 -16.862 6.114 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.397 -16.290 6.251 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.411 -17.005 6.877 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.071 -17.504 6.545 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.453 -17.762 8.045 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.114 -18.254 7.704 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.298 -18.379 8.443 1.00 0.00 C ATOM 0 H TRP A 15 -4.212 -13.163 3.988 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.215 -14.781 5.308 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.209 -15.225 3.062 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.063 -16.458 3.550 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.431 -15.084 4.433 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.362 -16.205 6.572 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.154 -17.415 5.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.364 -17.859 8.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.219 -18.753 8.047 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.299 -18.974 9.344 1.00 0.00 H new ATOM 206 N ARG A 16 -0.278 -14.560 3.803 1.00 0.00 N ATOM 207 CA ARG A 16 0.892 -14.471 2.937 1.00 0.00 C ATOM 208 C ARG A 16 1.504 -15.849 2.707 1.00 0.00 C ATOM 209 O ARG A 16 1.719 -16.608 3.652 1.00 0.00 O ATOM 210 CB ARG A 16 1.935 -13.533 3.547 1.00 0.00 C ATOM 211 CG ARG A 16 3.262 -13.534 2.807 1.00 0.00 C ATOM 212 CD ARG A 16 4.232 -12.525 3.402 1.00 0.00 C ATOM 213 NE ARG A 16 5.189 -12.037 2.413 1.00 0.00 N ATOM 214 CZ ARG A 16 6.127 -12.799 1.859 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.233 -14.076 2.197 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.961 -12.282 0.966 1.00 0.00 N ATOM 0 H ARG A 16 -0.065 -14.762 4.780 1.00 0.00 H new ATOM 0 HA ARG A 16 0.571 -14.070 1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.536 -12.519 3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.107 -13.820 4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.702 -14.531 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.094 -13.302 1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.674 -11.684 3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.770 -12.985 4.231 1.00 0.00 H new ATOM 0 HE ARG A 16 5.135 -11.058 2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.594 -14.477 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.954 -14.658 1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.883 -11.299 0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.680 -12.867 0.541 1.00 0.00 H new ATOM 230 N GLN A 17 1.781 -16.166 1.446 1.00 0.00 N ATOM 231 CA GLN A 17 2.367 -17.453 1.093 1.00 0.00 C ATOM 232 C GLN A 17 3.890 -17.392 1.151 1.00 0.00 C ATOM 233 O GLN A 17 4.494 -16.376 0.806 1.00 0.00 O ATOM 234 CB GLN A 17 1.914 -17.878 -0.304 1.00 0.00 C ATOM 235 CG GLN A 17 2.001 -19.376 -0.543 1.00 0.00 C ATOM 236 CD GLN A 17 1.546 -19.773 -1.934 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.173 -19.412 -2.931 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.451 -20.520 -2.009 1.00 0.00 N ATOM 0 H GLN A 17 1.609 -15.549 0.652 1.00 0.00 H new ATOM 0 HA GLN A 17 2.024 -18.191 1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.885 -17.553 -0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.524 -17.364 -1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.030 -19.705 -0.394 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.390 -19.894 0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.037 -20.796 -1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.098 -20.818 -2.919 1.00 0.00 H new ATOM 331 N ARG A 23 3.648 -22.150 1.813 1.00 0.00 N ATOM 332 CA ARG A 23 2.643 -22.216 2.867 1.00 0.00 C ATOM 333 C ARG A 23 2.203 -20.816 3.287 1.00 0.00 C ATOM 334 O ARG A 23 3.018 -19.897 3.368 1.00 0.00 O ATOM 335 CB ARG A 23 3.192 -22.973 4.078 1.00 0.00 C ATOM 336 CG ARG A 23 2.873 -24.459 4.062 1.00 0.00 C ATOM 337 CD ARG A 23 3.897 -25.240 3.253 1.00 0.00 C ATOM 338 NE ARG A 23 4.035 -26.615 3.726 1.00 0.00 N ATOM 339 CZ ARG A 23 3.177 -27.584 3.427 1.00 0.00 C ATOM 340 NH1 ARG A 23 2.126 -27.330 2.660 1.00 0.00 N ATOM 341 NH2 ARG A 23 3.371 -28.811 3.895 1.00 0.00 N ATOM 0 HA ARG A 23 1.777 -22.749 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.273 -22.842 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.784 -22.532 4.987 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.849 -24.838 5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.880 -24.615 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.602 -25.246 2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.863 -24.738 3.310 1.00 0.00 H new ATOM 0 HE ARG A 23 4.834 -26.844 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.975 -26.389 2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.469 -28.076 2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.179 -29.010 4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.712 -29.555 3.665 1.00 0.00 H new ATOM 355 N TRP A 24 0.910 -20.663 3.550 1.00 0.00 N ATOM 356 CA TRP A 24 0.362 -19.375 3.961 1.00 0.00 C ATOM 357 C TRP A 24 0.631 -19.114 5.439 1.00 0.00 C ATOM 358 O TRP A 24 0.786 -20.048 6.226 1.00 0.00 O ATOM 359 CB TRP A 24 -1.142 -19.327 3.688 1.00 0.00 C ATOM 360 CG TRP A 24 -1.487 -19.465 2.235 1.00 0.00 C ATOM 361 CD1 TRP A 24 -1.928 -20.591 1.601 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.417 -18.441 1.237 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.136 -20.328 0.268 1.00 0.00 N ATOM 364 CE2 TRP A 24 -1.831 -19.016 0.020 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.047 -17.093 1.254 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -1.883 -18.290 -1.167 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.098 -16.374 0.075 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.515 -16.972 -1.121 1.00 0.00 C ATOM 0 H TRP A 24 0.222 -21.414 3.486 1.00 0.00 H new ATOM 0 HA TRP A 24 0.855 -18.597 3.379 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -1.631 -20.124 4.248 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.542 -18.384 4.061 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.090 -21.547 2.077 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.464 -21.001 -0.424 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -0.727 -16.622 2.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.202 -18.750 -2.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.811 -15.333 0.076 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.547 -16.382 -2.025 1.00 0.00 H new ATOM 379 N LYS A 25 0.685 -17.840 5.810 1.00 0.00 N ATOM 380 CA LYS A 25 0.934 -17.456 7.195 1.00 0.00 C ATOM 381 C LYS A 25 0.226 -16.148 7.532 1.00 0.00 C ATOM 382 O LYS A 25 0.163 -15.235 6.709 1.00 0.00 O ATOM 383 CB LYS A 25 2.438 -17.313 7.443 1.00 0.00 C ATOM 384 CG LYS A 25 3.031 -16.039 6.868 1.00 0.00 C ATOM 385 CD LYS A 25 4.550 -16.076 6.883 1.00 0.00 C ATOM 386 CE LYS A 25 5.097 -16.992 5.798 1.00 0.00 C ATOM 387 NZ LYS A 25 4.842 -16.451 4.435 1.00 0.00 N ATOM 0 H LYS A 25 0.560 -17.055 5.171 1.00 0.00 H new ATOM 0 HA LYS A 25 0.538 -18.240 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.625 -17.338 8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.952 -18.171 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.679 -15.902 5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.681 -15.182 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.941 -15.068 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.897 -16.418 7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.169 -17.125 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.639 -17.977 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.550 -16.829 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.891 -16.732 4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.907 -15.413 4.456 1.00 0.00 H new ATOM 401 N ARG A 26 -0.303 -16.064 8.748 1.00 0.00 N ATOM 402 CA ARG A 26 -1.006 -14.867 9.194 1.00 0.00 C ATOM 403 C ARG A 26 -0.021 -13.750 9.526 1.00 0.00 C ATOM 404 O ARG A 26 0.839 -13.905 10.391 1.00 0.00 O ATOM 405 CB ARG A 26 -1.868 -15.182 10.418 1.00 0.00 C ATOM 406 CG ARG A 26 -3.280 -15.627 10.070 1.00 0.00 C ATOM 407 CD ARG A 26 -3.901 -16.439 11.196 1.00 0.00 C ATOM 408 NE ARG A 26 -3.208 -17.707 11.403 1.00 0.00 N ATOM 409 CZ ARG A 26 -3.503 -18.555 12.383 1.00 0.00 C ATOM 410 NH1 ARG A 26 -4.473 -18.271 13.240 1.00 0.00 N ATOM 411 NH2 ARG A 26 -2.826 -19.690 12.506 1.00 0.00 N ATOM 0 H ARG A 26 -0.258 -16.810 9.442 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.650 -14.531 8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.383 -15.964 11.002 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.921 -14.297 11.052 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.898 -14.753 9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.260 -16.223 9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.877 -15.858 12.118 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.949 -16.632 10.968 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.456 -17.956 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.995 -17.400 13.149 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.697 -18.924 13.991 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.079 -19.912 11.848 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.053 -20.340 13.258 1.00 0.00 H new ATOM 425 N ASN A 27 -0.155 -12.624 8.832 1.00 0.00 N ATOM 426 CA ASN A 27 0.724 -11.481 9.053 1.00 0.00 C ATOM 427 C ASN A 27 -0.030 -10.170 8.857 1.00 0.00 C ATOM 428 O ASN A 27 -0.692 -9.969 7.838 1.00 0.00 O ATOM 429 CB ASN A 27 1.922 -11.542 8.102 1.00 0.00 C ATOM 430 CG ASN A 27 3.163 -10.903 8.695 1.00 0.00 C ATOM 431 OD1 ASN A 27 3.387 -9.701 8.549 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.977 -11.707 9.369 1.00 0.00 N ATOM 0 H ASN A 27 -0.863 -12.479 8.112 1.00 0.00 H new ATOM 0 HA ASN A 27 1.083 -11.522 10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.134 -12.582 7.856 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.668 -11.039 7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.828 -11.334 9.791 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.752 -12.697 9.465 1.00 0.00 H new ATOM 439 N TRP A 28 0.076 -9.280 9.837 1.00 0.00 N ATOM 440 CA TRP A 28 -0.595 -7.987 9.772 1.00 0.00 C ATOM 441 C TRP A 28 0.184 -7.013 8.894 1.00 0.00 C ATOM 442 O TRP A 28 1.391 -6.841 9.062 1.00 0.00 O ATOM 443 CB TRP A 28 -0.762 -7.405 11.177 1.00 0.00 C ATOM 444 CG TRP A 28 -1.151 -5.958 11.177 1.00 0.00 C ATOM 445 CD1 TRP A 28 -0.313 -4.883 11.090 1.00 0.00 C ATOM 446 CD2 TRP A 28 -2.478 -5.427 11.271 1.00 0.00 C ATOM 447 NE1 TRP A 28 -1.038 -3.717 11.125 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.368 -4.023 11.235 1.00 0.00 C ATOM 449 CE3 TRP A 28 -3.747 -6.001 11.381 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -3.480 -3.188 11.305 1.00 0.00 C ATOM 451 CZ3 TRP A 28 -4.850 -5.171 11.451 1.00 0.00 C ATOM 452 CH2 TRP A 28 -4.711 -3.777 11.412 1.00 0.00 C ATOM 0 H TRP A 28 0.620 -9.430 10.686 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.580 -8.138 9.329 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.519 -7.978 11.712 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.173 -7.523 11.725 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.762 -4.941 11.006 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.649 -2.775 11.077 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.864 -7.074 11.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.375 -2.114 11.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.836 -5.604 11.537 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.592 -3.155 11.467 1.00 0.00 H new ATOM 463 N PHE A 29 -0.514 -6.379 7.958 1.00 0.00 N ATOM 464 CA PHE A 29 0.112 -5.423 7.054 1.00 0.00 C ATOM 465 C PHE A 29 -0.356 -4.002 7.354 1.00 0.00 C ATOM 466 O PHE A 29 -1.504 -3.784 7.739 1.00 0.00 O ATOM 467 CB PHE A 29 -0.205 -5.780 5.600 1.00 0.00 C ATOM 468 CG PHE A 29 0.553 -6.974 5.097 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.273 -8.243 5.578 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.547 -6.828 4.142 1.00 0.00 C ATOM 471 CE1 PHE A 29 0.970 -9.344 5.117 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.246 -7.926 3.677 1.00 0.00 C ATOM 473 CZ PHE A 29 1.958 -9.185 4.165 1.00 0.00 C ATOM 0 H PHE A 29 -1.514 -6.510 7.806 1.00 0.00 H new ATOM 0 HA PHE A 29 1.190 -5.471 7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.274 -5.972 5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.021 -4.923 4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.499 -8.373 6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.778 -5.846 3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.742 -10.328 5.501 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.017 -7.799 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.504 -10.044 3.803 1.00 0.00 H new ATOM 483 N ALA A 30 0.542 -3.039 7.176 1.00 0.00 N ATOM 484 CA ALA A 30 0.222 -1.639 7.426 1.00 0.00 C ATOM 485 C ALA A 30 0.966 -0.724 6.460 1.00 0.00 C ATOM 486 O ALA A 30 2.188 -0.804 6.330 1.00 0.00 O ATOM 487 CB ALA A 30 0.552 -1.271 8.865 1.00 0.00 C ATOM 0 H ALA A 30 1.498 -3.203 6.859 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.847 -1.502 7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.308 -0.223 9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.030 -1.895 9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.615 -1.431 9.047 1.00 0.00 H new ATOM 493 N LEU A 31 0.223 0.145 5.783 1.00 0.00 N ATOM 494 CA LEU A 31 0.813 1.075 4.827 1.00 0.00 C ATOM 495 C LEU A 31 1.170 2.396 5.503 1.00 0.00 C ATOM 496 O LEU A 31 0.413 2.907 6.327 1.00 0.00 O ATOM 497 CB LEU A 31 -0.153 1.327 3.668 1.00 0.00 C ATOM 498 CG LEU A 31 0.311 2.334 2.615 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.556 1.827 1.904 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.802 2.610 1.614 1.00 0.00 C ATOM 0 H LEU A 31 -0.789 0.225 5.879 1.00 0.00 H new ATOM 0 HA LEU A 31 1.728 0.627 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.349 0.377 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.101 1.673 4.080 1.00 0.00 H new ATOM 0 HG LEU A 31 0.560 3.268 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.872 2.557 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.356 1.681 2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.334 0.879 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.454 3.329 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.082 1.682 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.668 3.018 2.136 1.00 0.00 H new ATOM 512 N TRP A 32 2.326 2.943 5.145 1.00 0.00 N ATOM 513 CA TRP A 32 2.783 4.205 5.715 1.00 0.00 C ATOM 514 C TRP A 32 2.763 5.314 4.669 1.00 0.00 C ATOM 515 O TRP A 32 3.126 5.095 3.512 1.00 0.00 O ATOM 516 CB TRP A 32 4.193 4.050 6.286 1.00 0.00 C ATOM 517 CG TRP A 32 4.307 2.953 7.300 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.143 1.874 7.251 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.557 2.826 8.513 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.958 1.085 8.361 1.00 0.00 N ATOM 521 CE2 TRP A 32 3.991 1.648 9.151 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.562 3.595 9.124 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.464 1.222 10.367 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.039 3.170 10.331 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.491 1.993 10.942 1.00 0.00 C ATOM 0 H TRP A 32 2.964 2.533 4.463 1.00 0.00 H new ATOM 0 HA TRP A 32 2.101 4.479 6.520 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.888 3.854 5.470 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.497 4.991 6.744 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.846 1.671 6.457 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.460 0.220 8.564 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.208 4.505 8.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.811 0.315 10.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.269 3.755 10.811 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.063 1.688 11.886 1.00 0.00 H new ATOM 536 N LEU A 33 2.339 6.503 5.081 1.00 0.00 N ATOM 537 CA LEU A 33 2.273 7.647 4.178 1.00 0.00 C ATOM 538 C LEU A 33 3.633 7.919 3.543 1.00 0.00 C ATOM 539 O LEU A 33 3.721 8.518 2.471 1.00 0.00 O ATOM 540 CB LEU A 33 1.790 8.888 4.930 1.00 0.00 C ATOM 541 CG LEU A 33 0.475 8.740 5.695 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.292 10.054 5.697 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.371 7.628 5.092 1.00 0.00 C ATOM 0 H LEU A 33 2.036 6.701 6.035 1.00 0.00 H new ATOM 0 HA LEU A 33 1.563 7.412 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.566 9.186 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.681 9.702 4.214 1.00 0.00 H new ATOM 0 HG LEU A 33 0.705 8.475 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.225 9.930 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.310 10.826 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.511 10.349 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.303 7.537 5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.592 7.863 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.176 6.686 5.143 1.00 0.00 H new ATOM 555 N ASP A 34 4.691 7.475 4.212 1.00 0.00 N ATOM 556 CA ASP A 34 6.048 7.668 3.713 1.00 0.00 C ATOM 557 C ASP A 34 6.212 7.041 2.331 1.00 0.00 C ATOM 558 O ASP A 34 7.136 7.379 1.592 1.00 0.00 O ATOM 559 CB ASP A 34 7.063 7.064 4.684 1.00 0.00 C ATOM 560 CG ASP A 34 6.813 7.486 6.119 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.604 8.695 6.354 1.00 0.00 O ATOM 562 OD2 ASP A 34 6.826 6.608 7.006 1.00 0.00 O ATOM 0 H ASP A 34 4.635 6.979 5.101 1.00 0.00 H new ATOM 0 HA ASP A 34 6.230 8.740 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.024 5.977 4.616 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.068 7.366 4.389 1.00 0.00 H new ATOM 567 N GLY A 35 5.310 6.126 1.991 1.00 0.00 N ATOM 568 CA GLY A 35 5.374 5.466 0.700 1.00 0.00 C ATOM 569 C GLY A 35 6.034 4.104 0.777 1.00 0.00 C ATOM 570 O GLY A 35 6.714 3.680 -0.159 1.00 0.00 O ATOM 0 H GLY A 35 4.536 5.830 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.365 5.355 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.926 6.095 0.001 1.00 0.00 H new ATOM 574 N THR A 36 5.837 3.414 1.896 1.00 0.00 N ATOM 575 CA THR A 36 6.420 2.094 2.094 1.00 0.00 C ATOM 576 C THR A 36 5.368 1.091 2.553 1.00 0.00 C ATOM 577 O THR A 36 4.238 1.463 2.872 1.00 0.00 O ATOM 578 CB THR A 36 7.562 2.133 3.127 1.00 0.00 C ATOM 579 OG1 THR A 36 7.203 2.984 4.221 1.00 0.00 O ATOM 580 CG2 THR A 36 8.851 2.631 2.491 1.00 0.00 C ATOM 0 H THR A 36 5.277 3.749 2.680 1.00 0.00 H new ATOM 0 HA THR A 36 6.822 1.779 1.131 1.00 0.00 H new ATOM 0 HB THR A 36 7.726 1.120 3.494 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.933 3.002 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.643 2.650 3.240 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.137 1.964 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.698 3.637 2.099 1.00 0.00 H new ATOM 588 N LEU A 37 5.746 -0.182 2.586 1.00 0.00 N ATOM 589 CA LEU A 37 4.834 -1.240 3.008 1.00 0.00 C ATOM 590 C LEU A 37 5.520 -2.193 3.982 1.00 0.00 C ATOM 591 O LEU A 37 6.435 -2.926 3.609 1.00 0.00 O ATOM 592 CB LEU A 37 4.324 -2.016 1.793 1.00 0.00 C ATOM 593 CG LEU A 37 3.059 -2.847 2.009 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.833 -1.948 2.069 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.907 -3.885 0.907 1.00 0.00 C ATOM 0 H LEU A 37 6.677 -0.507 2.326 1.00 0.00 H new ATOM 0 HA LEU A 37 3.989 -0.776 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.135 -1.307 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.118 -2.681 1.453 1.00 0.00 H new ATOM 0 HG LEU A 37 3.149 -3.369 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.942 -2.557 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.938 -1.244 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.739 -1.398 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.001 -4.467 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.840 -3.384 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.771 -4.549 0.911 1.00 0.00 H new ATOM 607 N GLY A 38 5.069 -2.179 5.233 1.00 0.00 N ATOM 608 CA GLY A 38 5.648 -3.048 6.241 1.00 0.00 C ATOM 609 C GLY A 38 4.636 -4.011 6.828 1.00 0.00 C ATOM 610 O GLY A 38 3.513 -3.622 7.150 1.00 0.00 O ATOM 0 H GLY A 38 4.313 -1.581 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.469 -3.613 5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.072 -2.440 7.040 1.00 0.00 H new ATOM 614 N TYR A 39 5.032 -5.272 6.965 1.00 0.00 N ATOM 615 CA TYR A 39 4.149 -6.294 7.513 1.00 0.00 C ATOM 616 C TYR A 39 4.737 -6.897 8.786 1.00 0.00 C ATOM 617 O TYR A 39 5.885 -7.341 8.803 1.00 0.00 O ATOM 618 CB TYR A 39 3.906 -7.395 6.480 1.00 0.00 C ATOM 619 CG TYR A 39 5.177 -7.985 5.913 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.844 -9.012 6.569 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.712 -7.515 4.719 1.00 0.00 C ATOM 622 CE1 TYR A 39 7.006 -9.553 6.055 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.873 -8.051 4.197 1.00 0.00 C ATOM 624 CZ TYR A 39 7.517 -9.069 4.868 1.00 0.00 C ATOM 625 OH TYR A 39 8.674 -9.606 4.352 1.00 0.00 O ATOM 0 H TYR A 39 5.958 -5.610 6.704 1.00 0.00 H new ATOM 0 HA TYR A 39 3.199 -5.821 7.761 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.320 -8.191 6.940 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.308 -6.990 5.664 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.447 -9.394 7.498 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.211 -6.717 4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.512 -10.350 6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.274 -7.675 3.268 1.00 0.00 H new ATOM 0 HH TYR A 39 8.898 -9.154 3.511 1.00 0.00 H new ATOM 635 N TYR A 40 3.942 -6.907 9.850 1.00 0.00 N ATOM 636 CA TYR A 40 4.382 -7.453 11.128 1.00 0.00 C ATOM 637 C TYR A 40 3.654 -8.756 11.444 1.00 0.00 C ATOM 638 O TYR A 40 2.545 -8.994 10.964 1.00 0.00 O ATOM 639 CB TYR A 40 4.146 -6.438 12.248 1.00 0.00 C ATOM 640 CG TYR A 40 4.848 -5.118 12.027 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.542 -4.321 10.931 1.00 0.00 C ATOM 642 CD2 TYR A 40 5.819 -4.668 12.913 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.181 -3.114 10.724 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.463 -3.461 12.715 1.00 0.00 C ATOM 645 CZ TYR A 40 6.140 -2.688 11.619 1.00 0.00 C ATOM 646 OH TYR A 40 6.780 -1.487 11.418 1.00 0.00 O ATOM 0 H TYR A 40 2.989 -6.543 9.853 1.00 0.00 H new ATOM 0 HA TYR A 40 5.449 -7.663 11.056 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.075 -6.259 12.345 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.484 -6.866 13.192 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.791 -4.651 10.228 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.075 -5.272 13.771 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.931 -2.507 9.866 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.215 -3.125 13.414 1.00 0.00 H new ATOM 0 HH TYR A 40 7.702 -1.549 11.745 1.00 0.00 H new ATOM 656 N HIS A 41 4.286 -9.597 12.258 1.00 0.00 N ATOM 657 CA HIS A 41 3.698 -10.876 12.641 1.00 0.00 C ATOM 658 C HIS A 41 2.451 -10.667 13.494 1.00 0.00 C ATOM 659 O HIS A 41 1.382 -11.194 13.186 1.00 0.00 O ATOM 660 CB HIS A 41 4.718 -11.720 13.406 1.00 0.00 C ATOM 661 CG HIS A 41 4.095 -12.695 14.357 1.00 0.00 C ATOM 662 ND1 HIS A 41 3.201 -13.667 13.961 1.00 0.00 N ATOM 663 CD2 HIS A 41 4.243 -12.844 15.694 1.00 0.00 C ATOM 664 CE1 HIS A 41 2.825 -14.371 15.013 1.00 0.00 C ATOM 665 NE2 HIS A 41 3.443 -13.893 16.078 1.00 0.00 N ATOM 0 H HIS A 41 5.204 -9.416 12.664 1.00 0.00 H new ATOM 0 HA HIS A 41 3.410 -11.403 11.731 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.335 -12.265 12.692 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.382 -11.058 13.961 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.873 -12.249 16.339 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.130 -15.198 15.004 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.343 -14.245 17.030 1.00 0.00 H new ATOM 674 N ASP A 42 2.596 -9.896 14.566 1.00 0.00 N ATOM 675 CA ASP A 42 1.480 -9.618 15.463 1.00 0.00 C ATOM 676 C ASP A 42 0.553 -8.564 14.867 1.00 0.00 C ATOM 677 O ASP A 42 0.835 -8.003 13.808 1.00 0.00 O ATOM 678 CB ASP A 42 1.998 -9.148 16.824 1.00 0.00 C ATOM 679 CG ASP A 42 3.259 -8.314 16.707 1.00 0.00 C ATOM 680 OD1 ASP A 42 3.383 -7.563 15.718 1.00 0.00 O ATOM 681 OD2 ASP A 42 4.122 -8.415 17.605 1.00 0.00 O ATOM 0 H ASP A 42 3.474 -9.453 14.835 1.00 0.00 H new ATOM 0 HA ASP A 42 0.914 -10.540 15.596 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.224 -8.564 17.322 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.197 -10.016 17.453 1.00 0.00 H new ATOM 686 N GLU A 43 -0.555 -8.301 15.553 1.00 0.00 N ATOM 687 CA GLU A 43 -1.525 -7.316 15.088 1.00 0.00 C ATOM 688 C GLU A 43 -0.926 -5.913 15.106 1.00 0.00 C ATOM 689 O GLU A 43 -1.235 -5.082 14.251 1.00 0.00 O ATOM 690 CB GLU A 43 -2.783 -7.356 15.959 1.00 0.00 C ATOM 691 CG GLU A 43 -3.891 -6.438 15.470 1.00 0.00 C ATOM 692 CD GLU A 43 -5.174 -6.601 16.261 1.00 0.00 C ATOM 693 OE1 GLU A 43 -5.616 -7.755 16.443 1.00 0.00 O ATOM 694 OE2 GLU A 43 -5.737 -5.575 16.697 1.00 0.00 O ATOM 0 H GLU A 43 -0.803 -8.756 16.432 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.794 -7.565 14.061 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.159 -8.379 15.993 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.517 -7.080 16.979 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.556 -5.403 15.537 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.089 -6.642 14.418 1.00 0.00 H new ATOM 701 N THR A 44 -0.066 -5.655 16.086 1.00 0.00 N ATOM 702 CA THR A 44 0.576 -4.353 16.217 1.00 0.00 C ATOM 703 C THR A 44 1.936 -4.339 15.531 1.00 0.00 C ATOM 704 O THR A 44 2.408 -5.367 15.047 1.00 0.00 O ATOM 705 CB THR A 44 0.755 -3.961 17.696 1.00 0.00 C ATOM 706 OG1 THR A 44 1.326 -5.053 18.426 1.00 0.00 O ATOM 707 CG2 THR A 44 -0.576 -3.569 18.318 1.00 0.00 C ATOM 0 H THR A 44 0.202 -6.331 16.801 1.00 0.00 H new ATOM 0 HA THR A 44 -0.079 -3.628 15.734 1.00 0.00 H new ATOM 0 HB THR A 44 1.425 -3.103 17.743 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.438 -4.796 19.365 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.423 -3.296 19.362 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.993 -2.719 17.778 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.267 -4.410 18.260 1.00 0.00 H new ATOM 715 N ALA A 45 2.563 -3.167 15.492 1.00 0.00 N ATOM 716 CA ALA A 45 3.871 -3.021 14.867 1.00 0.00 C ATOM 717 C ALA A 45 4.989 -3.157 15.895 1.00 0.00 C ATOM 718 O ALA A 45 5.528 -2.159 16.374 1.00 0.00 O ATOM 719 CB ALA A 45 3.968 -1.681 14.153 1.00 0.00 C ATOM 0 H ALA A 45 2.185 -2.305 15.886 1.00 0.00 H new ATOM 0 HA ALA A 45 3.987 -3.820 14.135 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.950 -1.585 13.691 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.198 -1.622 13.384 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.825 -0.874 14.872 1.00 0.00 H new ATOM 725 N GLN A 46 5.332 -4.396 16.229 1.00 0.00 N ATOM 726 CA GLN A 46 6.386 -4.661 17.202 1.00 0.00 C ATOM 727 C GLN A 46 7.452 -5.579 16.613 1.00 0.00 C ATOM 728 O GLN A 46 8.646 -5.291 16.694 1.00 0.00 O ATOM 729 CB GLN A 46 5.796 -5.290 18.466 1.00 0.00 C ATOM 730 CG GLN A 46 4.676 -4.470 19.087 1.00 0.00 C ATOM 731 CD GLN A 46 5.189 -3.418 20.050 1.00 0.00 C ATOM 732 OE1 GLN A 46 6.397 -3.228 20.195 1.00 0.00 O ATOM 733 NE2 GLN A 46 4.271 -2.725 20.714 1.00 0.00 N ATOM 0 H GLN A 46 4.896 -5.232 15.841 1.00 0.00 H new ATOM 0 HA GLN A 46 6.853 -3.711 17.462 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.417 -6.283 18.225 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.590 -5.421 19.201 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.104 -3.985 18.296 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.992 -5.136 19.613 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.280 -2.915 20.563 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.557 -2.002 21.375 1.00 0.00 H new ATOM 742 N ASP A 47 7.013 -6.685 16.022 1.00 0.00 N ATOM 743 CA ASP A 47 7.930 -7.645 15.419 1.00 0.00 C ATOM 744 C ASP A 47 8.152 -7.331 13.943 1.00 0.00 C ATOM 745 O ASP A 47 7.614 -8.009 13.068 1.00 0.00 O ATOM 746 CB ASP A 47 7.389 -9.067 15.576 1.00 0.00 C ATOM 747 CG ASP A 47 5.906 -9.158 15.275 1.00 0.00 C ATOM 748 OD1 ASP A 47 5.453 -8.498 14.316 1.00 0.00 O ATOM 749 OD2 ASP A 47 5.199 -9.891 15.997 1.00 0.00 O ATOM 0 H ASP A 47 6.028 -6.939 15.948 1.00 0.00 H new ATOM 0 HA ASP A 47 8.887 -7.570 15.935 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.934 -9.736 14.910 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.572 -9.412 16.594 1.00 0.00 H new ATOM 754 N GLU A 48 8.946 -6.300 13.675 1.00 0.00 N ATOM 755 CA GLU A 48 9.237 -5.896 12.304 1.00 0.00 C ATOM 756 C GLU A 48 9.822 -7.058 11.507 1.00 0.00 C ATOM 757 O GLU A 48 10.906 -7.551 11.815 1.00 0.00 O ATOM 758 CB GLU A 48 10.209 -4.714 12.292 1.00 0.00 C ATOM 759 CG GLU A 48 10.375 -4.077 10.923 1.00 0.00 C ATOM 760 CD GLU A 48 9.381 -2.960 10.675 1.00 0.00 C ATOM 761 OE1 GLU A 48 9.499 -1.904 11.333 1.00 0.00 O ATOM 762 OE2 GLU A 48 8.485 -3.140 9.824 1.00 0.00 O ATOM 0 H GLU A 48 9.399 -5.729 14.388 1.00 0.00 H new ATOM 0 HA GLU A 48 8.301 -5.592 11.836 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.858 -3.958 12.995 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.183 -5.052 12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.388 -3.685 10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.257 -4.841 10.154 1.00 0.00 H new ATOM 769 N GLU A 49 9.094 -7.490 10.482 1.00 0.00 N ATOM 770 CA GLU A 49 9.540 -8.596 9.641 1.00 0.00 C ATOM 771 C GLU A 49 10.280 -8.079 8.410 1.00 0.00 C ATOM 772 O GLU A 49 11.369 -8.550 8.085 1.00 0.00 O ATOM 773 CB GLU A 49 8.348 -9.452 9.211 1.00 0.00 C ATOM 774 CG GLU A 49 7.691 -10.202 10.358 1.00 0.00 C ATOM 775 CD GLU A 49 8.403 -11.499 10.690 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.634 -11.466 10.895 1.00 0.00 O ATOM 777 OE2 GLU A 49 7.727 -12.548 10.743 1.00 0.00 O ATOM 0 H GLU A 49 8.194 -7.092 10.214 1.00 0.00 H new ATOM 0 HA GLU A 49 10.226 -9.209 10.225 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.606 -8.812 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.679 -10.170 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.674 -9.564 11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.654 -10.417 10.100 1.00 0.00 H new ATOM 784 N ASP A 50 9.679 -7.108 7.731 1.00 0.00 N ATOM 785 CA ASP A 50 10.280 -6.527 6.536 1.00 0.00 C ATOM 786 C ASP A 50 9.498 -5.300 6.077 1.00 0.00 C ATOM 787 O ASP A 50 8.425 -5.003 6.603 1.00 0.00 O ATOM 788 CB ASP A 50 10.335 -7.562 5.412 1.00 0.00 C ATOM 789 CG ASP A 50 11.507 -7.338 4.476 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.662 -7.497 4.923 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.269 -7.002 3.297 1.00 0.00 O ATOM 0 H ASP A 50 8.777 -6.707 7.987 1.00 0.00 H new ATOM 0 HA ASP A 50 11.295 -6.217 6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.404 -8.560 5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.406 -7.525 4.842 1.00 0.00 H new ATOM 796 N ARG A 51 10.043 -4.591 5.094 1.00 0.00 N ATOM 797 CA ARG A 51 9.397 -3.396 4.565 1.00 0.00 C ATOM 798 C ARG A 51 9.788 -3.165 3.108 1.00 0.00 C ATOM 799 O ARG A 51 10.969 -3.036 2.785 1.00 0.00 O ATOM 800 CB ARG A 51 9.774 -2.174 5.405 1.00 0.00 C ATOM 801 CG ARG A 51 9.145 -0.880 4.914 1.00 0.00 C ATOM 802 CD ARG A 51 9.675 0.323 5.679 1.00 0.00 C ATOM 803 NE ARG A 51 9.052 0.452 6.994 1.00 0.00 N ATOM 804 CZ ARG A 51 9.474 -0.195 8.074 1.00 0.00 C ATOM 805 NH1 ARG A 51 10.515 -1.013 7.996 1.00 0.00 N ATOM 806 NH2 ARG A 51 8.855 -0.025 9.235 1.00 0.00 N ATOM 0 H ARG A 51 10.930 -4.823 4.648 1.00 0.00 H new ATOM 0 HA ARG A 51 8.318 -3.545 4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.471 -2.346 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.858 -2.064 5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.350 -0.755 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.062 -0.935 5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.755 0.231 5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.493 1.229 5.101 1.00 0.00 H new ATOM 0 HE ARG A 51 8.249 1.073 7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.993 -1.146 7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.837 -1.509 8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.054 0.603 9.299 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.180 -0.523 10.064 1.00 0.00 H new ATOM 820 N VAL A 52 8.789 -3.115 2.233 1.00 0.00 N ATOM 821 CA VAL A 52 9.028 -2.900 0.811 1.00 0.00 C ATOM 822 C VAL A 52 8.543 -1.522 0.375 1.00 0.00 C ATOM 823 O VAL A 52 7.532 -1.023 0.869 1.00 0.00 O ATOM 824 CB VAL A 52 8.329 -3.973 -0.044 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.894 -5.351 0.261 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.825 -3.941 0.186 1.00 0.00 C ATOM 0 H VAL A 52 7.806 -3.221 2.484 1.00 0.00 H new ATOM 0 HA VAL A 52 10.105 -2.969 0.657 1.00 0.00 H new ATOM 0 HB VAL A 52 8.518 -3.754 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.388 -6.096 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.961 -5.364 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.739 -5.583 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.347 -4.706 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.614 -4.134 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.436 -2.961 -0.089 1.00 0.00 H new ATOM 836 N VAL A 53 9.270 -0.911 -0.555 1.00 0.00 N ATOM 837 CA VAL A 53 8.913 0.409 -1.060 1.00 0.00 C ATOM 838 C VAL A 53 7.603 0.364 -1.837 1.00 0.00 C ATOM 839 O VAL A 53 7.306 -0.618 -2.517 1.00 0.00 O ATOM 840 CB VAL A 53 10.018 0.979 -1.970 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.663 2.387 -2.423 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.359 0.962 -1.254 1.00 0.00 C ATOM 0 H VAL A 53 10.110 -1.310 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 53 8.795 1.059 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 53 10.097 0.348 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.455 2.773 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.725 2.365 -2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.555 3.033 -1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.128 1.368 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.297 1.569 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.615 -0.063 -0.986 1.00 0.00 H new ATOM 852 N ILE A 54 6.822 1.435 -1.732 1.00 0.00 N ATOM 853 CA ILE A 54 5.543 1.518 -2.426 1.00 0.00 C ATOM 854 C ILE A 54 5.550 2.640 -3.459 1.00 0.00 C ATOM 855 O ILE A 54 5.006 2.495 -4.554 1.00 0.00 O ATOM 856 CB ILE A 54 4.382 1.749 -1.441 1.00 0.00 C ATOM 857 CG1 ILE A 54 4.191 0.523 -0.547 1.00 0.00 C ATOM 858 CG2 ILE A 54 3.100 2.065 -2.198 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.704 -0.700 -1.294 1.00 0.00 C ATOM 0 H ILE A 54 7.053 2.256 -1.173 1.00 0.00 H new ATOM 0 HA ILE A 54 5.395 0.563 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 54 4.626 2.602 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.137 0.288 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.478 0.765 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.289 2.226 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.243 2.965 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.849 1.231 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.591 -1.531 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.742 -0.483 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.427 -0.968 -2.064 1.00 0.00 H new ATOM 871 N HIS A 55 6.172 3.760 -3.103 1.00 0.00 N ATOM 872 CA HIS A 55 6.253 4.907 -4.000 1.00 0.00 C ATOM 873 C HIS A 55 6.832 4.500 -5.352 1.00 0.00 C ATOM 874 O HIS A 55 7.950 3.989 -5.432 1.00 0.00 O ATOM 875 CB HIS A 55 7.109 6.010 -3.377 1.00 0.00 C ATOM 876 CG HIS A 55 7.261 7.217 -4.250 1.00 0.00 C ATOM 877 ND1 HIS A 55 8.001 7.414 -5.367 1.00 0.00 N flip ATOM 878 CD2 HIS A 55 6.605 8.406 -4.011 1.00 0.00 C flip ATOM 879 CE1 HIS A 55 7.780 8.706 -5.778 1.00 0.00 C flip ATOM 880 NE2 HIS A 55 6.934 9.282 -4.944 1.00 0.00 N flip ATOM 0 H HIS A 55 6.627 3.897 -2.200 1.00 0.00 H new ATOM 0 HA HIS A 55 5.243 5.286 -4.156 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.664 6.312 -2.429 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.097 5.608 -3.152 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.928 8.592 -3.190 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.226 9.175 -6.643 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.592 10.241 -5.009 1.00 0.00 H new ATOM 889 N PHE A 56 6.065 4.730 -6.412 1.00 0.00 N ATOM 890 CA PHE A 56 6.501 4.386 -7.761 1.00 0.00 C ATOM 891 C PHE A 56 7.328 3.103 -7.754 1.00 0.00 C ATOM 892 O PHE A 56 8.359 3.013 -8.420 1.00 0.00 O ATOM 893 CB PHE A 56 7.319 5.530 -8.363 1.00 0.00 C ATOM 894 CG PHE A 56 6.485 6.705 -8.785 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.620 7.315 -7.891 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.565 7.200 -10.077 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.851 8.397 -8.277 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.799 8.282 -10.468 1.00 0.00 C ATOM 899 CZ PHE A 56 4.940 8.880 -9.568 1.00 0.00 C ATOM 0 H PHE A 56 5.138 5.153 -6.364 1.00 0.00 H new ATOM 0 HA PHE A 56 5.614 4.223 -8.372 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.057 5.862 -7.633 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.870 5.157 -9.226 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.546 6.941 -6.881 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.234 6.735 -10.786 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.181 8.864 -7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.872 8.659 -11.477 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.339 9.724 -9.873 1.00 0.00 H new ATOM 909 N ASN A 57 6.868 2.114 -6.995 1.00 0.00 N ATOM 910 CA ASN A 57 7.565 0.836 -6.900 1.00 0.00 C ATOM 911 C ASN A 57 6.657 -0.313 -7.329 1.00 0.00 C ATOM 912 O ASN A 57 7.130 -1.382 -7.715 1.00 0.00 O ATOM 913 CB ASN A 57 8.057 0.605 -5.470 1.00 0.00 C ATOM 914 CG ASN A 57 9.315 -0.241 -5.421 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.385 0.193 -5.849 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.191 -1.455 -4.898 1.00 0.00 N ATOM 0 H ASN A 57 6.016 2.173 -6.437 1.00 0.00 H new ATOM 0 HA ASN A 57 8.423 0.868 -7.572 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.251 1.567 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.272 0.117 -4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.003 -2.070 -4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.284 -1.773 -4.556 1.00 0.00 H new ATOM 923 N VAL A 58 5.349 -0.084 -7.258 1.00 0.00 N ATOM 924 CA VAL A 58 4.374 -1.098 -7.640 1.00 0.00 C ATOM 925 C VAL A 58 4.149 -1.104 -9.148 1.00 0.00 C ATOM 926 O VAL A 58 3.407 -0.277 -9.678 1.00 0.00 O ATOM 927 CB VAL A 58 3.025 -0.874 -6.932 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.007 -1.912 -7.380 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.204 -0.909 -5.422 1.00 0.00 C ATOM 0 H VAL A 58 4.941 0.795 -6.939 1.00 0.00 H new ATOM 0 HA VAL A 58 4.782 -2.061 -7.333 1.00 0.00 H new ATOM 0 HB VAL A 58 2.649 0.111 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.060 -1.737 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.858 -1.834 -8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.373 -2.909 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.241 -0.749 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.603 -1.879 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.897 -0.124 -5.119 1.00 0.00 H new ATOM 939 N ARG A 59 4.794 -2.042 -9.834 1.00 0.00 N ATOM 940 CA ARG A 59 4.665 -2.155 -11.281 1.00 0.00 C ATOM 941 C ARG A 59 3.246 -2.557 -11.671 1.00 0.00 C ATOM 942 O ARG A 59 2.625 -1.928 -12.529 1.00 0.00 O ATOM 943 CB ARG A 59 5.664 -3.178 -11.825 1.00 0.00 C ATOM 944 CG ARG A 59 6.034 -2.954 -13.282 1.00 0.00 C ATOM 945 CD ARG A 59 7.100 -1.879 -13.427 1.00 0.00 C ATOM 946 NE ARG A 59 7.665 -1.846 -14.773 1.00 0.00 N ATOM 947 CZ ARG A 59 7.069 -1.260 -15.806 1.00 0.00 C ATOM 948 NH1 ARG A 59 5.897 -0.661 -15.647 1.00 0.00 N ATOM 949 NH2 ARG A 59 7.646 -1.273 -17.001 1.00 0.00 N ATOM 0 H ARG A 59 5.411 -2.735 -9.410 1.00 0.00 H new ATOM 0 HA ARG A 59 4.880 -1.179 -11.717 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.570 -3.145 -11.220 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.243 -4.178 -11.715 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.395 -3.887 -13.714 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.146 -2.665 -13.844 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.668 -0.906 -13.191 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.896 -2.058 -12.704 1.00 0.00 H new ATOM 0 HE ARG A 59 8.566 -2.297 -14.929 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.451 -0.649 -14.730 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.442 -0.212 -16.442 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.548 -1.733 -17.127 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.188 -0.823 -17.793 1.00 0.00 H new ATOM 963 N ASP A 60 2.739 -3.608 -11.036 1.00 0.00 N ATOM 964 CA ASP A 60 1.392 -4.093 -11.315 1.00 0.00 C ATOM 965 C ASP A 60 0.775 -4.728 -10.073 1.00 0.00 C ATOM 966 O ASP A 60 1.449 -4.916 -9.060 1.00 0.00 O ATOM 967 CB ASP A 60 1.420 -5.107 -12.460 1.00 0.00 C ATOM 968 CG ASP A 60 0.031 -5.545 -12.880 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.573 -4.865 -13.736 1.00 0.00 O ATOM 970 OD2 ASP A 60 -0.452 -6.569 -12.353 1.00 0.00 O ATOM 0 H ASP A 60 3.240 -4.140 -10.325 1.00 0.00 H new ATOM 0 HA ASP A 60 0.779 -3.241 -11.608 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.934 -4.670 -13.316 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.996 -5.980 -12.154 1.00 0.00 H new ATOM 975 N ILE A 61 -0.511 -5.053 -10.158 1.00 0.00 N ATOM 976 CA ILE A 61 -1.218 -5.666 -9.041 1.00 0.00 C ATOM 977 C ILE A 61 -2.327 -6.590 -9.533 1.00 0.00 C ATOM 978 O ILE A 61 -3.287 -6.145 -10.164 1.00 0.00 O ATOM 979 CB ILE A 61 -1.828 -4.602 -8.109 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.722 -3.769 -7.457 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.696 -5.262 -7.048 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.240 -2.590 -6.665 1.00 0.00 C ATOM 0 H ILE A 61 -1.084 -4.902 -10.988 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.484 -6.248 -8.484 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.456 -3.937 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.137 -4.410 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.046 -3.407 -8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.120 -4.497 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.502 -5.816 -7.530 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.089 -5.947 -6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.401 -2.046 -6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.801 -1.927 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.892 -2.946 -5.867 1.00 0.00 H new ATOM 994 N LYS A 62 -2.191 -7.878 -9.238 1.00 0.00 N ATOM 995 CA LYS A 62 -3.182 -8.866 -9.647 1.00 0.00 C ATOM 996 C LYS A 62 -4.053 -9.284 -8.467 1.00 0.00 C ATOM 997 O LYS A 62 -3.578 -9.379 -7.335 1.00 0.00 O ATOM 998 CB LYS A 62 -2.491 -10.094 -10.245 1.00 0.00 C ATOM 999 CG LYS A 62 -1.713 -9.796 -11.515 1.00 0.00 C ATOM 1000 CD LYS A 62 -0.954 -11.018 -12.004 1.00 0.00 C ATOM 1001 CE LYS A 62 -0.643 -10.923 -13.490 1.00 0.00 C ATOM 1002 NZ LYS A 62 -1.877 -10.993 -14.320 1.00 0.00 N ATOM 0 H LYS A 62 -1.403 -8.263 -8.717 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.821 -8.411 -10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.812 -10.516 -9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.242 -10.855 -10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.399 -9.458 -12.292 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.013 -8.981 -11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.025 -11.120 -11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.543 -11.915 -11.811 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.121 -9.988 -13.693 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.031 -11.732 -13.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.633 -11.313 -15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.546 -11.664 -13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.315 -10.051 -14.370 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.329 -9.535 -8.738 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.266 -9.946 -7.699 1.00 0.00 C ATOM 1018 C VAL A 63 -7.234 -11.003 -8.218 1.00 0.00 C ATOM 1019 O VAL A 63 -7.847 -10.835 -9.271 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.071 -8.747 -7.163 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -7.973 -9.179 -6.017 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.135 -7.631 -6.725 1.00 0.00 C ATOM 0 H VAL A 63 -5.739 -9.461 -9.669 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.673 -10.368 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.702 -8.366 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.534 -8.319 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.667 -9.942 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.365 -9.586 -5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.720 -6.792 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.477 -7.996 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.536 -7.304 -7.575 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.367 -12.094 -7.470 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.263 -13.164 -7.870 1.00 0.00 C ATOM 1034 C GLY A 64 -7.819 -13.842 -9.151 1.00 0.00 C ATOM 1035 O GLY A 64 -6.652 -14.201 -9.298 1.00 0.00 O ATOM 0 H GLY A 64 -6.870 -12.256 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.320 -13.904 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.267 -12.762 -8.004 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.754 -14.018 -10.080 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.453 -14.660 -11.354 1.00 0.00 C ATOM 1041 C GLN A 65 -7.103 -14.197 -11.891 1.00 0.00 C ATOM 1042 O GLN A 65 -6.293 -15.007 -12.339 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.553 -14.358 -12.373 1.00 0.00 C ATOM 1044 CG GLN A 65 -10.862 -15.075 -12.087 1.00 0.00 C ATOM 1045 CD GLN A 65 -10.693 -16.578 -11.982 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -10.691 -17.286 -12.989 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -10.550 -17.073 -10.758 1.00 0.00 N ATOM 0 H GLN A 65 -9.725 -13.725 -9.974 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.407 -15.736 -11.189 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.734 -13.283 -12.392 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.204 -14.640 -13.366 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.284 -14.695 -11.157 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.577 -14.848 -12.878 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.558 -16.449 -9.951 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.432 -18.077 -10.625 1.00 0.00 H new ATOM 1056 N GLU A 66 -6.870 -12.889 -11.844 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.618 -12.319 -12.327 1.00 0.00 C ATOM 1058 C GLU A 66 -4.438 -13.220 -11.975 1.00 0.00 C ATOM 1059 O GLU A 66 -3.585 -13.502 -12.817 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.404 -10.924 -11.735 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.540 -9.958 -12.028 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.091 -8.510 -12.013 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -5.529 -8.053 -13.031 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -6.303 -7.833 -10.985 1.00 0.00 O ATOM 0 H GLU A 66 -7.531 -12.205 -11.477 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.680 -12.239 -13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.282 -11.011 -10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.476 -10.510 -12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.969 -10.192 -13.002 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.330 -10.097 -11.290 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.396 -13.667 -10.724 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.320 -14.534 -10.258 1.00 0.00 C ATOM 1073 C CYS A 67 -3.295 -15.841 -11.045 1.00 0.00 C ATOM 1074 O CYS A 67 -4.160 -16.085 -11.887 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.482 -14.826 -8.766 1.00 0.00 C ATOM 1076 SG CYS A 67 -3.233 -13.387 -7.701 1.00 0.00 S ATOM 0 H CYS A 67 -5.094 -13.443 -10.015 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.374 -14.016 -10.419 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.481 -15.225 -8.591 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.773 -15.603 -8.480 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.574 -13.742 -6.638 1.00 0.00 H new ATOM 1144 N PRO A 72 -4.790 -21.057 -3.017 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.299 -20.241 -1.910 1.00 0.00 C ATOM 1146 C PRO A 72 -5.376 -21.021 -0.603 1.00 0.00 C ATOM 1147 O PRO A 72 -5.443 -22.251 -0.588 1.00 0.00 O ATOM 1148 CB PRO A 72 -6.701 -19.844 -2.379 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.100 -20.915 -3.334 1.00 0.00 C ATOM 1150 CD PRO A 72 -5.833 -21.358 -4.012 1.00 0.00 C ATOM 0 HA PRO A 72 -4.649 -19.392 -1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.396 -19.782 -1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.695 -18.866 -2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.575 -21.746 -2.812 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.821 -20.541 -4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.859 -22.420 -4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.666 -20.819 -4.944 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.366 -20.293 0.523 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.435 -20.897 1.858 1.00 0.00 C ATOM 1160 C PRO A 73 -6.802 -21.507 2.148 1.00 0.00 C ATOM 1161 O PRO A 73 -7.827 -20.996 1.699 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.166 -19.717 2.795 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.587 -18.515 2.022 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.288 -18.824 0.581 1.00 0.00 C ATOM 0 HA PRO A 73 -4.728 -21.719 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.733 -19.810 3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.113 -19.662 3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.648 -18.311 2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.044 -17.629 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.010 -18.357 -0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.302 -18.462 0.289 1.00 0.00 H new ATOM 1172 N GLU A 74 -6.808 -22.602 2.901 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.050 -23.281 3.251 1.00 0.00 C ATOM 1174 C GLU A 74 -9.027 -22.318 3.919 1.00 0.00 C ATOM 1175 O GLU A 74 -8.647 -21.533 4.787 1.00 0.00 O ATOM 1176 CB GLU A 74 -7.767 -24.464 4.179 1.00 0.00 C ATOM 1177 CG GLU A 74 -6.389 -25.073 3.986 1.00 0.00 C ATOM 1178 CD GLU A 74 -6.010 -25.206 2.523 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -6.872 -25.623 1.722 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -4.851 -24.891 2.181 1.00 0.00 O ATOM 0 H GLU A 74 -5.967 -23.038 3.280 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.503 -23.651 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.868 -24.136 5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.521 -25.233 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.648 -24.456 4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.361 -26.056 4.456 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.290 -22.384 3.507 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.302 -21.513 4.075 1.00 0.00 C ATOM 1189 C GLY A 75 -11.518 -20.260 3.250 1.00 0.00 C ATOM 1190 O GLY A 75 -12.622 -20.011 2.765 1.00 0.00 O ATOM 0 H GLY A 75 -10.630 -23.025 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.243 -22.058 4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.009 -21.232 5.087 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.463 -19.468 3.092 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.543 -18.233 2.323 1.00 0.00 C ATOM 1196 C ARG A 76 -11.131 -18.491 0.939 1.00 0.00 C ATOM 1197 O ARG A 76 -11.585 -19.596 0.643 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.157 -17.599 2.189 1.00 0.00 C ATOM 1199 CG ARG A 76 -8.421 -17.459 3.512 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.354 -17.000 4.622 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.964 -18.126 5.325 1.00 0.00 N ATOM 1202 CZ ARG A 76 -9.287 -18.954 6.113 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -7.985 -18.782 6.299 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -9.912 -19.956 6.719 1.00 0.00 N ATOM 0 H ARG A 76 -9.542 -19.660 3.487 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.200 -17.545 2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.555 -18.203 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.260 -16.614 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.973 -18.415 3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.605 -16.745 3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.799 -16.387 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.136 -16.369 4.200 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.964 -18.285 5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.501 -18.012 5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.468 -19.419 6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.913 -20.091 6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.391 -20.591 7.324 1.00 0.00 H new ATOM 1218 N SER A 77 -11.119 -17.464 0.095 1.00 0.00 N ATOM 1219 CA SER A 77 -11.655 -17.579 -1.256 1.00 0.00 C ATOM 1220 C SER A 77 -10.575 -17.293 -2.295 1.00 0.00 C ATOM 1221 O SER A 77 -9.561 -16.662 -1.995 1.00 0.00 O ATOM 1222 CB SER A 77 -12.829 -16.616 -1.446 1.00 0.00 C ATOM 1223 OG SER A 77 -13.900 -16.940 -0.576 1.00 0.00 O ATOM 0 H SER A 77 -10.744 -16.543 0.323 1.00 0.00 H new ATOM 0 HA SER A 77 -12.007 -18.601 -1.395 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.500 -15.594 -1.258 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.172 -16.655 -2.480 1.00 0.00 H new ATOM 0 HG SER A 77 -14.637 -16.309 -0.715 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.800 -17.761 -3.518 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.847 -17.558 -4.602 1.00 0.00 C ATOM 1231 C ARG A 78 -9.648 -16.070 -4.879 1.00 0.00 C ATOM 1232 O ARG A 78 -8.519 -15.584 -4.933 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.327 -18.264 -5.871 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.845 -19.701 -5.988 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.822 -20.165 -7.436 1.00 0.00 C ATOM 1236 NE ARG A 78 -11.108 -20.715 -7.855 1.00 0.00 N ATOM 1237 CZ ARG A 78 -11.421 -20.970 -9.120 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -10.545 -20.727 -10.085 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -12.613 -21.470 -9.423 1.00 0.00 N ATOM 0 H ARG A 78 -11.635 -18.284 -3.783 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.892 -17.985 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.417 -18.252 -5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.985 -17.703 -6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.846 -19.786 -5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.497 -20.353 -5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.559 -19.327 -8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.046 -20.920 -7.562 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.804 -20.914 -7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.628 -20.343 -9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.788 -20.924 -11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.290 -21.659 -8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.852 -21.665 -10.395 1.00 0.00 H new ATOM 1253 N ASP A 79 -10.753 -15.354 -5.055 1.00 0.00 N ATOM 1254 CA ASP A 79 -10.701 -13.922 -5.326 1.00 0.00 C ATOM 1255 C ASP A 79 -9.717 -13.228 -4.391 1.00 0.00 C ATOM 1256 O ASP A 79 -8.888 -12.430 -4.827 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.091 -13.302 -5.176 1.00 0.00 C ATOM 1258 CG ASP A 79 -12.287 -12.095 -6.072 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -11.412 -11.204 -6.066 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -13.315 -12.040 -6.779 1.00 0.00 O ATOM 0 H ASP A 79 -11.696 -15.742 -5.015 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.359 -13.783 -6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.847 -14.051 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.244 -13.009 -4.138 1.00 0.00 H new ATOM 1265 N GLY A 80 -9.815 -13.536 -3.101 1.00 0.00 N ATOM 1266 CA GLY A 80 -8.929 -12.931 -2.124 1.00 0.00 C ATOM 1267 C GLY A 80 -7.510 -12.789 -2.639 1.00 0.00 C ATOM 1268 O GLY A 80 -6.828 -11.809 -2.338 1.00 0.00 O ATOM 0 H GLY A 80 -10.492 -14.194 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.313 -11.948 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.925 -13.536 -1.218 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.063 -13.769 -3.416 1.00 0.00 N ATOM 1273 CA LEU A 81 -5.715 -13.750 -3.973 1.00 0.00 C ATOM 1274 C LEU A 81 -5.316 -12.337 -4.385 1.00 0.00 C ATOM 1275 O LEU A 81 -6.117 -11.596 -4.957 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.625 -14.689 -5.177 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.198 -16.126 -4.876 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.008 -16.694 -3.721 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.349 -16.998 -6.115 1.00 0.00 C ATOM 0 H LEU A 81 -7.614 -14.587 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.025 -14.092 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.599 -14.715 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.921 -14.264 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.147 -16.119 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.690 -17.717 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.849 -16.085 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.067 -16.688 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.041 -18.017 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.391 -16.998 -6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.724 -16.604 -6.916 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.073 -11.969 -4.094 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.566 -10.645 -4.437 1.00 0.00 C ATOM 1293 C LEU A 82 -2.050 -10.668 -4.601 1.00 0.00 C ATOM 1294 O LEU A 82 -1.312 -10.853 -3.632 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.959 -9.633 -3.360 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.191 -8.311 -3.369 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -3.792 -7.350 -4.383 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.184 -7.688 -1.980 1.00 0.00 C ATOM 0 H LEU A 82 -3.397 -12.569 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.011 -10.347 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.021 -9.414 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.826 -10.101 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.160 -8.515 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.232 -6.415 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.743 -7.793 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.832 -7.152 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.633 -6.748 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.209 -7.499 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.705 -8.370 -1.278 1.00 0.00 H new ATOM 1310 N THR A 83 -1.590 -10.476 -5.833 1.00 0.00 N ATOM 1311 CA THR A 83 -0.162 -10.473 -6.124 1.00 0.00 C ATOM 1312 C THR A 83 0.320 -9.077 -6.502 1.00 0.00 C ATOM 1313 O THR A 83 -0.071 -8.533 -7.535 1.00 0.00 O ATOM 1314 CB THR A 83 0.180 -11.448 -7.267 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.536 -12.676 -7.094 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.675 -11.729 -7.309 1.00 0.00 C ATOM 0 H THR A 83 -2.186 -10.320 -6.646 1.00 0.00 H new ATOM 0 HA THR A 83 0.346 -10.796 -5.215 1.00 0.00 H new ATOM 0 HB THR A 83 -0.114 -10.986 -8.209 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.386 -12.631 -7.580 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.893 -12.420 -8.124 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.216 -10.797 -7.469 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.989 -12.172 -6.364 1.00 0.00 H new ATOM 1324 N VAL A 84 1.171 -8.501 -5.659 1.00 0.00 N ATOM 1325 CA VAL A 84 1.707 -7.169 -5.905 1.00 0.00 C ATOM 1326 C VAL A 84 3.109 -7.242 -6.500 1.00 0.00 C ATOM 1327 O VAL A 84 3.987 -7.917 -5.965 1.00 0.00 O ATOM 1328 CB VAL A 84 1.754 -6.334 -4.611 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.320 -4.950 -4.888 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.368 -6.237 -3.990 1.00 0.00 C ATOM 0 H VAL A 84 1.504 -8.937 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 84 1.038 -6.686 -6.616 1.00 0.00 H new ATOM 0 HB VAL A 84 2.412 -6.834 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.345 -4.375 -3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.331 -5.043 -5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.690 -4.438 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.419 -5.644 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.314 -5.761 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.005 -7.237 -3.753 1.00 0.00 H new ATOM 1340 N ASN A 85 3.312 -6.541 -7.611 1.00 0.00 N ATOM 1341 CA ASN A 85 4.608 -6.527 -8.279 1.00 0.00 C ATOM 1342 C ASN A 85 5.452 -5.348 -7.804 1.00 0.00 C ATOM 1343 O ASN A 85 4.942 -4.244 -7.606 1.00 0.00 O ATOM 1344 CB ASN A 85 4.422 -6.456 -9.796 1.00 0.00 C ATOM 1345 CG ASN A 85 4.335 -7.829 -10.433 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.224 -8.236 -11.181 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.260 -8.551 -10.138 1.00 0.00 N ATOM 0 H ASN A 85 2.596 -5.976 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 85 5.129 -7.450 -8.026 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.515 -5.896 -10.022 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.254 -5.907 -10.236 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.147 -9.483 -10.536 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.548 -8.173 -9.513 1.00 0.00 H new ATOM 1354 N LEU A 86 6.746 -5.589 -7.623 1.00 0.00 N ATOM 1355 CA LEU A 86 7.663 -4.548 -7.171 1.00 0.00 C ATOM 1356 C LEU A 86 8.716 -4.251 -8.234 1.00 0.00 C ATOM 1357 O LEU A 86 9.092 -5.129 -9.011 1.00 0.00 O ATOM 1358 CB LEU A 86 8.342 -4.970 -5.867 1.00 0.00 C ATOM 1359 CG LEU A 86 7.410 -5.300 -4.701 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.198 -5.878 -3.535 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.642 -4.060 -4.265 1.00 0.00 C ATOM 0 H LEU A 86 7.184 -6.496 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 86 7.085 -3.640 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.961 -5.844 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.013 -4.170 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 86 6.692 -6.049 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.518 -6.107 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.702 -6.790 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.939 -5.152 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.983 -4.313 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.345 -3.289 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.047 -3.688 -5.099 1.00 0.00 H new ATOM 1373 N ARG A 87 9.188 -3.009 -8.260 1.00 0.00 N ATOM 1374 CA ARG A 87 10.199 -2.597 -9.227 1.00 0.00 C ATOM 1375 C ARG A 87 11.462 -3.443 -9.087 1.00 0.00 C ATOM 1376 O ARG A 87 12.013 -3.919 -10.079 1.00 0.00 O ATOM 1377 CB ARG A 87 10.540 -1.118 -9.040 1.00 0.00 C ATOM 1378 CG ARG A 87 9.470 -0.175 -9.566 1.00 0.00 C ATOM 1379 CD ARG A 87 9.506 -0.082 -11.083 1.00 0.00 C ATOM 1380 NE ARG A 87 10.749 0.514 -11.566 1.00 0.00 N ATOM 1381 CZ ARG A 87 11.131 0.488 -12.838 1.00 0.00 C ATOM 1382 NH1 ARG A 87 10.370 -0.101 -13.750 1.00 0.00 N ATOM 1383 NH2 ARG A 87 12.276 1.053 -13.199 1.00 0.00 N ATOM 0 H ARG A 87 8.887 -2.271 -7.623 1.00 0.00 H new ATOM 0 HA ARG A 87 9.792 -2.746 -10.227 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.696 -0.921 -7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.481 -0.904 -9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.488 -0.522 -9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.614 0.816 -9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.392 -1.078 -11.510 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.660 0.512 -11.430 1.00 0.00 H new ATOM 0 HE ARG A 87 11.357 0.975 -10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.489 -0.536 -13.476 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.666 -0.120 -14.726 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.863 1.507 -12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.569 1.033 -14.176 1.00 0.00 H new ATOM 1397 N GLU A 88 11.913 -3.623 -7.850 1.00 0.00 N ATOM 1398 CA GLU A 88 13.111 -4.410 -7.582 1.00 0.00 C ATOM 1399 C GLU A 88 13.090 -5.718 -8.367 1.00 0.00 C ATOM 1400 O GLU A 88 14.124 -6.188 -8.840 1.00 0.00 O ATOM 1401 CB GLU A 88 13.232 -4.703 -6.085 1.00 0.00 C ATOM 1402 CG GLU A 88 12.182 -5.672 -5.568 1.00 0.00 C ATOM 1403 CD GLU A 88 12.635 -7.117 -5.642 1.00 0.00 C ATOM 1404 OE1 GLU A 88 13.458 -7.436 -6.526 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.167 -7.929 -4.817 1.00 0.00 O ATOM 0 H GLU A 88 11.468 -3.235 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 88 13.975 -3.828 -7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.222 -5.111 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.154 -3.767 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.941 -5.423 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.266 -5.552 -6.147 1.00 0.00 H new ATOM 1412 N GLY A 89 11.903 -6.302 -8.502 1.00 0.00 N ATOM 1413 CA GLY A 89 11.768 -7.550 -9.230 1.00 0.00 C ATOM 1414 C GLY A 89 11.319 -8.693 -8.341 1.00 0.00 C ATOM 1415 O GLY A 89 12.088 -9.614 -8.067 1.00 0.00 O ATOM 0 H GLY A 89 11.032 -5.933 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.050 -7.419 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.723 -7.804 -9.689 1.00 0.00 H new ATOM 1419 N SER A 90 10.071 -8.634 -7.889 1.00 0.00 N ATOM 1420 CA SER A 90 9.522 -9.670 -7.021 1.00 0.00 C ATOM 1421 C SER A 90 8.021 -9.478 -6.828 1.00 0.00 C ATOM 1422 O SER A 90 7.528 -8.351 -6.791 1.00 0.00 O ATOM 1423 CB SER A 90 10.228 -9.655 -5.664 1.00 0.00 C ATOM 1424 OG SER A 90 9.797 -10.734 -4.853 1.00 0.00 O ATOM 0 H SER A 90 9.420 -7.880 -8.109 1.00 0.00 H new ATOM 0 HA SER A 90 9.689 -10.635 -7.499 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.306 -9.715 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.027 -8.712 -5.156 1.00 0.00 H new ATOM 0 HG SER A 90 10.264 -10.703 -3.992 1.00 0.00 H new ATOM 1430 N ARG A 91 7.300 -10.588 -6.706 1.00 0.00 N ATOM 1431 CA ARG A 91 5.855 -10.543 -6.518 1.00 0.00 C ATOM 1432 C ARG A 91 5.480 -10.926 -5.090 1.00 0.00 C ATOM 1433 O ARG A 91 6.020 -11.881 -4.529 1.00 0.00 O ATOM 1434 CB ARG A 91 5.161 -11.481 -7.508 1.00 0.00 C ATOM 1435 CG ARG A 91 5.563 -12.939 -7.349 1.00 0.00 C ATOM 1436 CD ARG A 91 5.164 -13.762 -8.564 1.00 0.00 C ATOM 1437 NE ARG A 91 6.116 -13.613 -9.662 1.00 0.00 N ATOM 1438 CZ ARG A 91 5.871 -14.010 -10.905 1.00 0.00 C ATOM 1439 NH1 ARG A 91 4.711 -14.576 -11.208 1.00 0.00 N ATOM 1440 NH2 ARG A 91 6.788 -13.840 -11.850 1.00 0.00 N ATOM 0 H ARG A 91 7.693 -11.529 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 91 5.522 -9.521 -6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.082 -11.395 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.390 -11.158 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.641 -13.006 -7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.092 -13.352 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.096 -14.813 -8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.173 -13.456 -8.899 1.00 0.00 H new ATOM 0 HE ARG A 91 7.018 -13.180 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.003 -14.708 -10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.526 -14.880 -12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.681 -13.404 -11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.599 -14.145 -12.805 1.00 0.00 H new ATOM 1454 N LEU A 92 4.553 -10.175 -4.505 1.00 0.00 N ATOM 1455 CA LEU A 92 4.106 -10.435 -3.141 1.00 0.00 C ATOM 1456 C LEU A 92 2.842 -11.288 -3.135 1.00 0.00 C ATOM 1457 O LEU A 92 1.759 -10.814 -3.480 1.00 0.00 O ATOM 1458 CB LEU A 92 3.849 -9.117 -2.408 1.00 0.00 C ATOM 1459 CG LEU A 92 5.050 -8.506 -1.684 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.812 -7.030 -1.406 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.330 -9.256 -0.390 1.00 0.00 C ATOM 0 H LEU A 92 4.096 -9.381 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 92 4.894 -10.983 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.477 -8.390 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.055 -9.279 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 92 5.924 -8.596 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.677 -6.613 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.661 -6.502 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.927 -6.916 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.188 -8.808 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.457 -9.198 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.546 -10.301 -0.614 1.00 0.00 H new ATOM 1473 N HIS A 93 2.987 -12.548 -2.740 1.00 0.00 N ATOM 1474 CA HIS A 93 1.856 -13.468 -2.686 1.00 0.00 C ATOM 1475 C HIS A 93 1.022 -13.231 -1.431 1.00 0.00 C ATOM 1476 O HIS A 93 1.417 -13.614 -0.329 1.00 0.00 O ATOM 1477 CB HIS A 93 2.346 -14.916 -2.721 1.00 0.00 C ATOM 1478 CG HIS A 93 2.550 -15.445 -4.107 1.00 0.00 C ATOM 1479 ND1 HIS A 93 3.798 -15.683 -4.646 1.00 0.00 N ATOM 1480 CD2 HIS A 93 1.657 -15.786 -5.066 1.00 0.00 C ATOM 1481 CE1 HIS A 93 3.663 -16.144 -5.876 1.00 0.00 C ATOM 1482 NE2 HIS A 93 2.374 -16.217 -6.155 1.00 0.00 N ATOM 0 H HIS A 93 3.876 -12.956 -2.452 1.00 0.00 H new ATOM 0 HA HIS A 93 1.228 -13.284 -3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.285 -14.987 -2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.625 -15.548 -2.202 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.581 -15.730 -4.989 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.470 -16.415 -6.541 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.976 -16.541 -7.036 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.133 -12.597 -1.604 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.022 -12.307 -0.485 1.00 0.00 C ATOM 1493 C LEU A 94 -2.459 -12.702 -0.815 1.00 0.00 C ATOM 1494 O LEU A 94 -2.820 -12.845 -1.984 1.00 0.00 O ATOM 1495 CB LEU A 94 -0.959 -10.821 -0.128 1.00 0.00 C ATOM 1496 CG LEU A 94 0.422 -10.277 0.238 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.359 -8.777 0.476 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.969 -10.992 1.465 1.00 0.00 C ATOM 0 H LEU A 94 -0.475 -12.274 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.690 -12.894 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.341 -10.248 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.632 -10.640 0.710 1.00 0.00 H new ATOM 0 HG LEU A 94 1.098 -10.463 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.351 -8.408 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.012 -8.279 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.331 -8.567 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.953 -10.592 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.294 -10.838 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.053 -12.059 1.257 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.272 -12.874 0.221 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.670 -13.250 0.041 1.00 0.00 C ATOM 1512 C CYS A 95 -5.560 -12.534 1.051 1.00 0.00 C ATOM 1513 O CYS A 95 -5.315 -12.586 2.256 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.834 -14.764 0.181 1.00 0.00 C ATOM 1515 SG CYS A 95 -4.315 -15.701 -1.275 1.00 0.00 S ATOM 0 H CYS A 95 -2.988 -12.759 1.194 1.00 0.00 H new ATOM 0 HA CYS A 95 -4.975 -12.950 -0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.258 -15.103 1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.880 -14.987 0.390 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.222 -16.352 -1.005 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.593 -11.864 0.551 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.520 -11.138 1.410 1.00 0.00 C ATOM 1523 C ALA A 96 -8.737 -11.992 1.751 1.00 0.00 C ATOM 1524 O ALA A 96 -9.039 -12.962 1.058 1.00 0.00 O ATOM 1525 CB ALA A 96 -7.954 -9.842 0.742 1.00 0.00 C ATOM 0 H ALA A 96 -6.809 -11.809 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.003 -10.900 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.646 -9.310 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.080 -9.218 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.448 -10.067 -0.203 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.430 -11.624 2.824 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.613 -12.359 3.257 1.00 0.00 C ATOM 1533 C GLU A 97 -11.604 -12.520 2.108 1.00 0.00 C ATOM 1534 O GLU A 97 -11.949 -13.637 1.722 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.286 -11.641 4.429 1.00 0.00 C ATOM 1536 CG GLU A 97 -10.397 -11.509 5.654 1.00 0.00 C ATOM 1537 CD GLU A 97 -11.190 -11.370 6.939 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -12.038 -12.246 7.211 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -10.963 -10.385 7.672 1.00 0.00 O ATOM 0 H GLU A 97 -9.193 -10.822 3.409 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.295 -13.350 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.595 -10.647 4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.191 -12.182 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.749 -12.383 5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.749 -10.641 5.536 1.00 0.00 H new ATOM 1546 N THR A 98 -12.061 -11.395 1.566 1.00 0.00 N ATOM 1547 CA THR A 98 -13.013 -11.409 0.463 1.00 0.00 C ATOM 1548 C THR A 98 -12.535 -10.532 -0.688 1.00 0.00 C ATOM 1549 O THR A 98 -11.524 -9.839 -0.574 1.00 0.00 O ATOM 1550 CB THR A 98 -14.405 -10.929 0.916 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.332 -9.570 1.363 1.00 0.00 O ATOM 1552 CG2 THR A 98 -14.944 -11.808 2.034 1.00 0.00 C ATOM 0 H THR A 98 -11.786 -10.462 1.874 1.00 0.00 H new ATOM 0 HA THR A 98 -13.086 -12.442 0.122 1.00 0.00 H new ATOM 0 HB THR A 98 -15.083 -10.996 0.065 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.221 -9.271 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.928 -11.449 2.337 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.025 -12.836 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.266 -11.770 2.886 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.267 -10.567 -1.797 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.917 -9.775 -2.970 1.00 0.00 C ATOM 1562 C ARG A 99 -12.899 -8.287 -2.635 1.00 0.00 C ATOM 1563 O ARG A 99 -11.989 -7.561 -3.035 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.906 -10.042 -4.106 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.332 -9.627 -3.781 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.339 -10.378 -4.639 1.00 0.00 C ATOM 1567 NE ARG A 99 -17.645 -10.472 -3.993 1.00 0.00 N ATOM 1568 CZ ARG A 99 -18.632 -11.241 -4.439 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -18.461 -11.980 -5.527 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -19.792 -11.273 -3.796 1.00 0.00 N ATOM 0 H ARG A 99 -14.106 -11.136 -1.908 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.918 -10.069 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.575 -9.509 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.892 -11.105 -4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.536 -9.817 -2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.445 -8.555 -3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.445 -9.873 -5.599 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.964 -11.380 -4.845 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.808 -9.917 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.570 -11.959 -6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -19.220 -12.570 -5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.927 -10.707 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.549 -11.864 -4.139 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.911 -7.839 -1.900 1.00 0.00 N ATOM 1585 CA ASP A 100 -14.012 -6.437 -1.511 1.00 0.00 C ATOM 1586 C ASP A 100 -12.720 -5.961 -0.853 1.00 0.00 C ATOM 1587 O ASP A 100 -12.183 -4.911 -1.206 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.190 -6.234 -0.556 1.00 0.00 C ATOM 1589 CG ASP A 100 -16.507 -6.070 -1.288 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -16.519 -5.405 -2.344 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -17.526 -6.607 -0.804 1.00 0.00 O ATOM 0 H ASP A 100 -14.673 -8.426 -1.562 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.179 -5.847 -2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.257 -7.087 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.007 -5.353 0.059 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.228 -6.740 0.104 1.00 0.00 N ATOM 1597 CA ASP A 101 -11.000 -6.398 0.811 1.00 0.00 C ATOM 1598 C ASP A 101 -9.811 -6.374 -0.145 1.00 0.00 C ATOM 1599 O ASP A 101 -9.012 -5.438 -0.133 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.741 -7.397 1.941 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.490 -7.042 3.210 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.643 -6.572 3.107 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -10.924 -7.235 4.306 1.00 0.00 O ATOM 0 H ASP A 101 -12.661 -7.612 0.408 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.121 -5.402 1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.036 -8.394 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.672 -7.434 2.152 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.702 -7.409 -0.971 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.612 -7.506 -1.934 1.00 0.00 C ATOM 1610 C ALA A 102 -8.602 -6.306 -2.875 1.00 0.00 C ATOM 1611 O ALA A 102 -7.550 -5.728 -3.148 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.722 -8.800 -2.727 1.00 0.00 C ATOM 0 H ALA A 102 -10.355 -8.192 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.672 -7.510 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.902 -8.859 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.672 -9.650 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.672 -8.819 -3.262 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.780 -5.937 -3.368 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.906 -4.805 -4.278 1.00 0.00 C ATOM 1620 C ILE A 103 -9.434 -3.514 -3.618 1.00 0.00 C ATOM 1621 O ILE A 103 -8.791 -2.679 -4.255 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.360 -4.624 -4.752 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.832 -5.868 -5.507 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.480 -3.388 -5.631 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.338 -5.992 -5.586 1.00 0.00 C ATOM 0 H ILE A 103 -10.660 -6.405 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.275 -5.021 -5.140 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.997 -4.489 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.424 -5.846 -6.517 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.428 -6.755 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.513 -3.273 -5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.179 -2.507 -5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.834 -3.497 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.600 -6.897 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.752 -6.046 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.748 -5.123 -6.101 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.754 -3.358 -2.338 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.359 -2.171 -1.591 1.00 0.00 C ATOM 1639 C ALA A 104 -7.853 -1.949 -1.668 1.00 0.00 C ATOM 1640 O ALA A 104 -7.389 -0.820 -1.824 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.804 -2.288 -0.140 1.00 0.00 C ATOM 0 H ALA A 104 -10.286 -4.039 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.850 -1.309 -2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.502 -1.394 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.888 -2.389 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.340 -3.164 0.313 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.094 -3.034 -1.557 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.639 -2.957 -1.613 1.00 0.00 C ATOM 1649 C TRP A 105 -5.169 -2.536 -3.001 1.00 0.00 C ATOM 1650 O TRP A 105 -4.258 -1.719 -3.139 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.021 -4.306 -1.241 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.906 -4.518 0.239 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.627 -5.394 1.000 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.019 -3.840 1.135 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.241 -5.301 2.315 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.256 -4.356 2.424 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.047 -2.849 0.974 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.556 -3.912 3.543 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.353 -2.410 2.085 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.609 -2.941 3.356 1.00 0.00 C ATOM 0 H TRP A 105 -7.462 -3.976 -1.428 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.313 -2.205 -0.895 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.626 -5.105 -1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.030 -4.380 -1.690 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.388 -6.061 0.623 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.626 -5.847 3.086 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -2.842 -2.434 -0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.753 -4.319 4.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.600 -1.644 1.972 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.049 -2.577 4.205 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.797 -3.096 -4.029 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.445 -2.778 -5.408 1.00 0.00 C ATOM 1673 C LYS A 106 -5.405 -1.268 -5.624 1.00 0.00 C ATOM 1674 O LYS A 106 -4.478 -0.744 -6.242 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.448 -3.415 -6.372 1.00 0.00 C ATOM 1676 CG LYS A 106 -6.265 -2.980 -7.816 1.00 0.00 C ATOM 1677 CD LYS A 106 -5.321 -3.908 -8.563 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.166 -3.492 -10.018 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.436 -3.653 -10.779 1.00 0.00 N ATOM 0 H LYS A 106 -6.554 -3.773 -3.933 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.453 -3.183 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.357 -4.500 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.459 -3.163 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.233 -2.964 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -5.874 -1.963 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.346 -3.905 -8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.698 -4.929 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.843 -2.452 -10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.384 -4.090 -10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.245 -3.557 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.838 -4.593 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.113 -2.921 -10.483 1.00 0.00 H new ATOM 1693 N THR A 107 -6.415 -0.574 -5.110 1.00 0.00 N ATOM 1694 CA THR A 107 -6.494 0.875 -5.246 1.00 0.00 C ATOM 1695 C THR A 107 -5.588 1.573 -4.238 1.00 0.00 C ATOM 1696 O THR A 107 -4.879 2.520 -4.578 1.00 0.00 O ATOM 1697 CB THR A 107 -7.937 1.379 -5.057 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.799 0.771 -6.025 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.004 2.893 -5.191 1.00 0.00 C ATOM 0 H THR A 107 -7.190 -0.992 -4.595 1.00 0.00 H new ATOM 0 HA THR A 107 -6.162 1.116 -6.256 1.00 0.00 H new ATOM 0 HB THR A 107 -8.266 1.104 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.715 1.095 -5.897 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.033 3.225 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.370 3.354 -4.434 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.657 3.186 -6.182 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.615 1.098 -2.997 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.794 1.675 -1.940 1.00 0.00 C ATOM 1709 C ALA A 108 -3.310 1.564 -2.276 1.00 0.00 C ATOM 1710 O ALA A 108 -2.497 2.363 -1.811 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.089 0.995 -0.612 1.00 0.00 C ATOM 0 H ALA A 108 -6.197 0.315 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.043 2.733 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.469 1.436 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.141 1.131 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.869 -0.070 -0.692 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.964 0.568 -3.084 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.577 0.352 -3.481 1.00 0.00 C ATOM 1719 C LEU A 109 -1.259 1.095 -4.775 1.00 0.00 C ATOM 1720 O LEU A 109 -0.278 1.833 -4.853 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.304 -1.143 -3.658 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.345 -1.987 -2.384 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.530 -3.458 -2.724 1.00 0.00 C ATOM 1724 CD2 LEU A 109 -0.078 -1.782 -1.566 1.00 0.00 C ATOM 0 H LEU A 109 -3.624 -0.103 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.934 0.742 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.035 -1.545 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.322 -1.261 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.196 -1.664 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.557 -4.043 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.466 -3.591 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.700 -3.795 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.125 -2.391 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.789 -2.077 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.011 -0.731 -1.291 1.00 0.00 H new ATOM 1736 N MET A 110 -2.097 0.895 -5.787 1.00 0.00 N ATOM 1737 CA MET A 110 -1.907 1.549 -7.077 1.00 0.00 C ATOM 1738 C MET A 110 -1.778 3.059 -6.907 1.00 0.00 C ATOM 1739 O MET A 110 -0.980 3.703 -7.588 1.00 0.00 O ATOM 1740 CB MET A 110 -3.074 1.227 -8.013 1.00 0.00 C ATOM 1741 CG MET A 110 -2.934 -0.111 -8.720 1.00 0.00 C ATOM 1742 SD MET A 110 -2.069 0.024 -10.297 1.00 0.00 S ATOM 1743 CE MET A 110 -0.364 0.009 -9.749 1.00 0.00 C ATOM 0 H MET A 110 -2.914 0.286 -5.739 1.00 0.00 H new ATOM 0 HA MET A 110 -0.984 1.170 -7.516 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.001 1.230 -7.439 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.159 2.016 -8.760 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.397 -0.805 -8.073 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.924 -0.534 -8.888 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.249 -0.516 -10.482 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.007 1.033 -9.644 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.295 -0.499 -8.787 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.567 3.617 -5.994 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.540 5.052 -5.737 1.00 0.00 C ATOM 1755 C GLU A 111 -1.221 5.464 -5.088 1.00 0.00 C ATOM 1756 O GLU A 111 -0.477 6.279 -5.633 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.710 5.454 -4.837 1.00 0.00 C ATOM 1758 CG GLU A 111 -4.968 5.827 -5.604 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.979 6.561 -4.745 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -6.603 5.912 -3.879 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.147 7.783 -4.938 1.00 0.00 O ATOM 0 H GLU A 111 -3.232 3.098 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.632 5.568 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.938 4.630 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.408 6.299 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.698 6.452 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.426 4.923 -6.005 1.00 0.00 H new ATOM 1768 N ALA A 112 -0.940 4.895 -3.921 1.00 0.00 N ATOM 1769 CA ALA A 112 0.289 5.201 -3.198 1.00 0.00 C ATOM 1770 C ALA A 112 1.507 5.069 -4.106 1.00 0.00 C ATOM 1771 O ALA A 112 2.473 5.819 -3.976 1.00 0.00 O ATOM 1772 CB ALA A 112 0.429 4.291 -1.987 1.00 0.00 C ATOM 0 H ALA A 112 -1.546 4.220 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 112 0.234 6.235 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.351 4.530 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.421 4.438 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.458 3.252 -2.314 1.00 0.00 H new ATOM 1778 N ASN A 113 1.454 4.109 -5.024 1.00 0.00 N ATOM 1779 CA ASN A 113 2.554 3.878 -5.953 1.00 0.00 C ATOM 1780 C ASN A 113 2.662 5.017 -6.963 1.00 0.00 C ATOM 1781 O ASN A 113 3.757 5.375 -7.395 1.00 0.00 O ATOM 1782 CB ASN A 113 2.360 2.549 -6.685 1.00 0.00 C ATOM 1783 CG ASN A 113 3.069 2.518 -8.025 1.00 0.00 C ATOM 1784 OD1 ASN A 113 4.298 2.492 -8.089 1.00 0.00 O ATOM 1785 ND2 ASN A 113 2.295 2.521 -9.104 1.00 0.00 N ATOM 0 H ASN A 113 0.661 3.479 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 113 3.479 3.837 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.732 1.736 -6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.295 2.373 -6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.715 2.501 -10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.280 2.543 -9.004 1.00 0.00 H new ATOM 1792 N SER A 114 1.517 5.582 -7.334 1.00 0.00 N ATOM 1793 CA SER A 114 1.482 6.678 -8.295 1.00 0.00 C ATOM 1794 C SER A 114 0.771 7.893 -7.708 1.00 0.00 C ATOM 1795 O SER A 114 -0.009 8.560 -8.388 1.00 0.00 O ATOM 1796 CB SER A 114 0.781 6.234 -9.580 1.00 0.00 C ATOM 1797 OG SER A 114 -0.552 5.829 -9.320 1.00 0.00 O ATOM 0 H SER A 114 0.602 5.299 -6.984 1.00 0.00 H new ATOM 0 HA SER A 114 2.509 6.958 -8.528 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.782 7.052 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 114 1.333 5.410 -10.033 1.00 0.00 H new ATOM 0 HG SER A 114 -0.547 5.052 -8.722 1.00 0.00 H new ATOM 1803 N THR A 115 1.046 8.175 -6.438 1.00 0.00 N ATOM 1804 CA THR A 115 0.433 9.308 -5.757 1.00 0.00 C ATOM 1805 C THR A 115 1.272 9.752 -4.564 1.00 0.00 C ATOM 1806 O THR A 115 1.294 9.108 -3.515 1.00 0.00 O ATOM 1807 CB THR A 115 -0.989 8.970 -5.272 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.804 8.576 -6.382 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.620 10.164 -4.572 1.00 0.00 C ATOM 0 H THR A 115 1.690 7.634 -5.861 1.00 0.00 H new ATOM 0 HA THR A 115 0.378 10.120 -6.482 1.00 0.00 H new ATOM 0 HB THR A 115 -0.921 8.147 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.364 8.834 -7.219 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.624 9.901 -4.238 1.00 0.00 H new ATOM 0 HG22 THR A 115 -1.013 10.444 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.676 11.004 -5.264 1.00 0.00 H new ATOM 1817 N PRO A 116 1.980 10.880 -4.724 1.00 0.00 N ATOM 1818 CA PRO A 116 2.833 11.436 -3.670 1.00 0.00 C ATOM 1819 C PRO A 116 2.024 11.994 -2.504 1.00 0.00 C ATOM 1820 O PRO A 116 0.798 11.897 -2.485 1.00 0.00 O ATOM 1821 CB PRO A 116 3.590 12.560 -4.381 1.00 0.00 C ATOM 1822 CG PRO A 116 2.705 12.956 -5.512 1.00 0.00 C ATOM 1823 CD PRO A 116 2.002 11.700 -5.948 1.00 0.00 C ATOM 0 HA PRO A 116 3.482 10.679 -3.230 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.775 13.399 -3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.561 12.218 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 116 1.989 13.716 -5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.285 13.383 -6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.995 11.908 -6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.535 11.201 -6.757 1.00 0.00 H new