USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 848 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 11 THR OG1 : rot 58:sc= 0.411 USER MOD Set 1.2: A 34 THR OG1 : rot -65:sc= 0.411 USER MOD Set 1.3: A 78 SER OG : rot -86:sc= -0.0542 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.623 K(o=1,f=-3.4!) USER MOD Set 2.2: A 72 THR OG1 : rot 80:sc= 0.395 USER MOD Single : A 13 GLN : amide:sc= -2.34 K(o=-2.3,f=-4.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 137:sc= 0.765 (180deg=-0.553) USER MOD Single : A 17 GLN : amide:sc= 0.00585 X(o=0.0058,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.551 USER MOD Single : A 22 THR OG1 : rot -72:sc= 0.427 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 38 SER OG : rot 180:sc= -0.347 USER MOD Single : A 40 ASN : amide:sc= -0.745 K(o=-0.74,f=-5.4!) USER MOD Single : A 41 MET CE :methyl -132:sc= -0.0793 (180deg=-0.39) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -67:sc= 1.45 USER MOD Single : A 58 THR OG1 : rot 88:sc= 0.32 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0866) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= 1.04 (180deg=0.71) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.367 F(o=-2.5,f=-0.37) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 100 THR OG1 : rot -51:sc= 0.639 USER MOD Single : A 106 CYS SG : rot -150:sc= -6.02! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 11.333 -15.177 6.822 1.00 0.00 N ATOM 85 CA LEU A 6 11.501 -14.067 5.854 1.00 0.00 C ATOM 86 C LEU A 6 12.587 -14.430 4.833 1.00 0.00 C ATOM 87 O LEU A 6 13.742 -14.627 5.212 1.00 0.00 O ATOM 88 CB LEU A 6 11.861 -12.757 6.609 1.00 0.00 C ATOM 89 CG LEU A 6 10.927 -12.380 7.804 1.00 0.00 C ATOM 90 CD1 LEU A 6 11.353 -11.049 8.460 1.00 0.00 C ATOM 91 CD2 LEU A 6 9.445 -12.360 7.370 1.00 0.00 C ATOM 0 HA LEU A 6 10.566 -13.906 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.881 -12.845 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.854 -11.934 5.894 1.00 0.00 H new ATOM 0 HG LEU A 6 11.032 -13.155 8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.681 -10.819 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 6 12.372 -11.138 8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.307 -10.248 7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.820 -12.095 8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.308 -11.625 6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.160 -13.346 7.004 1.00 0.00 H new ATOM 103 N ARG A 7 12.204 -14.515 3.545 1.00 0.00 N ATOM 104 CA ARG A 7 13.099 -14.972 2.457 1.00 0.00 C ATOM 105 C ARG A 7 13.225 -13.915 1.336 1.00 0.00 C ATOM 106 O ARG A 7 14.251 -13.855 0.651 1.00 0.00 O ATOM 107 CB ARG A 7 12.572 -16.312 1.879 1.00 0.00 C ATOM 108 CG ARG A 7 11.199 -16.220 1.179 1.00 0.00 C ATOM 109 CD ARG A 7 10.758 -17.542 0.540 1.00 0.00 C ATOM 110 NE ARG A 7 9.556 -17.386 -0.298 1.00 0.00 N ATOM 111 CZ ARG A 7 8.778 -18.398 -0.706 1.00 0.00 C ATOM 112 NH1 ARG A 7 8.985 -19.636 -0.277 1.00 0.00 N ATOM 113 NH2 ARG A 7 7.783 -18.172 -1.532 1.00 0.00 N ATOM 0 H ARG A 7 11.267 -14.270 3.226 1.00 0.00 H new ATOM 0 HA ARG A 7 14.094 -15.120 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.302 -16.696 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.503 -17.039 2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.449 -15.906 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.241 -15.448 0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.572 -17.939 -0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.559 -18.273 1.324 1.00 0.00 H new ATOM 0 HE ARG A 7 9.298 -16.443 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.746 -19.830 0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.383 -20.394 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.601 -17.225 -1.864 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.192 -18.943 -1.842 1.00 0.00 H new ATOM 127 N ASP A 8 12.177 -13.092 1.146 1.00 0.00 N ATOM 128 CA ASP A 8 12.121 -12.041 0.106 1.00 0.00 C ATOM 129 C ASP A 8 12.396 -10.665 0.748 1.00 0.00 C ATOM 130 O ASP A 8 12.723 -10.570 1.939 1.00 0.00 O ATOM 131 CB ASP A 8 10.718 -12.023 -0.565 1.00 0.00 C ATOM 132 CG ASP A 8 10.320 -13.358 -1.216 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.857 -13.693 -2.292 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.463 -14.089 -0.656 1.00 0.00 O ATOM 0 H ASP A 8 11.333 -13.137 1.717 1.00 0.00 H new ATOM 0 HA ASP A 8 12.876 -12.253 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.972 -11.759 0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.699 -11.241 -1.324 1.00 0.00 H new ATOM 139 N ARG A 9 12.257 -9.598 -0.060 1.00 0.00 N ATOM 140 CA ARG A 9 12.420 -8.199 0.393 1.00 0.00 C ATOM 141 C ARG A 9 11.297 -7.332 -0.197 1.00 0.00 C ATOM 142 O ARG A 9 10.888 -7.527 -1.353 1.00 0.00 O ATOM 143 CB ARG A 9 13.808 -7.627 -0.019 1.00 0.00 C ATOM 144 CG ARG A 9 15.010 -8.449 0.484 1.00 0.00 C ATOM 145 CD ARG A 9 16.361 -7.921 -0.023 1.00 0.00 C ATOM 146 NE ARG A 9 17.442 -8.895 0.226 1.00 0.00 N ATOM 147 CZ ARG A 9 18.746 -8.696 -0.027 1.00 0.00 C ATOM 148 NH1 ARG A 9 19.195 -7.516 -0.449 1.00 0.00 N ATOM 149 NH2 ARG A 9 19.604 -9.686 0.160 1.00 0.00 N ATOM 0 H ARG A 9 12.027 -9.679 -1.050 1.00 0.00 H new ATOM 0 HA ARG A 9 12.362 -8.183 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.854 -7.567 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.895 -6.609 0.361 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.013 -8.447 1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.891 -9.485 0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.295 -7.712 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.595 -6.979 0.473 1.00 0.00 H new ATOM 0 HE ARG A 9 17.176 -9.796 0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.545 -6.742 -0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 9 20.189 -7.386 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.273 -10.591 0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.596 -9.544 -0.030 1.00 0.00 H new ATOM 163 N ILE A 10 10.818 -6.385 0.616 1.00 0.00 N ATOM 164 CA ILE A 10 9.762 -5.415 0.255 1.00 0.00 C ATOM 165 C ILE A 10 10.204 -4.012 0.704 1.00 0.00 C ATOM 166 O ILE A 10 11.109 -3.892 1.518 1.00 0.00 O ATOM 167 CB ILE A 10 8.388 -5.754 0.940 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.524 -5.718 2.505 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.832 -7.112 0.432 1.00 0.00 C ATOM 170 CD1 ILE A 10 7.220 -5.849 3.275 1.00 0.00 C ATOM 0 H ILE A 10 11.158 -6.263 1.570 1.00 0.00 H new ATOM 0 HA ILE A 10 9.620 -5.460 -0.825 1.00 0.00 H new ATOM 0 HB ILE A 10 7.664 -4.989 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.191 -6.523 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.002 -4.781 2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.881 -7.322 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.682 -7.063 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.542 -7.906 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.424 -5.812 4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.554 -5.030 3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.746 -6.799 3.028 1.00 0.00 H new ATOM 182 N THR A 11 9.524 -2.965 0.217 1.00 0.00 N ATOM 183 CA THR A 11 9.860 -1.568 0.537 1.00 0.00 C ATOM 184 C THR A 11 8.577 -0.821 0.916 1.00 0.00 C ATOM 185 O THR A 11 7.547 -0.966 0.244 1.00 0.00 O ATOM 186 CB THR A 11 10.560 -0.844 -0.663 1.00 0.00 C ATOM 187 OG1 THR A 11 11.536 -1.714 -1.237 1.00 0.00 O ATOM 188 CG2 THR A 11 11.268 0.449 -0.220 1.00 0.00 C ATOM 0 H THR A 11 8.725 -3.061 -0.410 1.00 0.00 H new ATOM 0 HA THR A 11 10.561 -1.569 1.371 1.00 0.00 H new ATOM 0 HB THR A 11 9.787 -0.587 -1.387 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.102 -2.541 -1.534 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.740 0.919 -1.083 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.538 1.134 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.028 0.211 0.525 1.00 0.00 H new ATOM 196 N ILE A 12 8.652 -0.039 2.001 1.00 0.00 N ATOM 197 CA ILE A 12 7.534 0.792 2.460 1.00 0.00 C ATOM 198 C ILE A 12 7.497 2.097 1.656 1.00 0.00 C ATOM 199 O ILE A 12 8.451 2.882 1.675 1.00 0.00 O ATOM 200 CB ILE A 12 7.632 1.112 4.000 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.685 -0.203 4.837 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.476 2.037 4.475 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.495 -1.134 4.662 1.00 0.00 C ATOM 0 H ILE A 12 9.487 0.035 2.583 1.00 0.00 H new ATOM 0 HA ILE A 12 6.613 0.231 2.299 1.00 0.00 H new ATOM 0 HB ILE A 12 8.562 1.656 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.592 -0.746 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.767 0.060 5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.582 2.232 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.515 2.979 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.519 1.549 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.629 -2.017 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.582 -0.617 4.957 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.420 -1.436 3.617 1.00 0.00 H new ATOM 215 N GLN A 13 6.410 2.280 0.907 1.00 0.00 N ATOM 216 CA GLN A 13 6.077 3.549 0.270 1.00 0.00 C ATOM 217 C GLN A 13 5.227 4.344 1.249 1.00 0.00 C ATOM 218 O GLN A 13 4.055 4.029 1.497 1.00 0.00 O ATOM 219 CB GLN A 13 5.336 3.350 -1.071 1.00 0.00 C ATOM 220 CG GLN A 13 6.111 2.521 -2.109 1.00 0.00 C ATOM 221 CD GLN A 13 5.443 2.528 -3.485 1.00 0.00 C ATOM 222 OE1 GLN A 13 4.225 2.678 -3.607 1.00 0.00 O ATOM 223 NE2 GLN A 13 6.232 2.344 -4.529 1.00 0.00 N ATOM 0 H GLN A 13 5.730 1.542 0.725 1.00 0.00 H new ATOM 0 HA GLN A 13 6.994 4.088 0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.381 2.863 -0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.114 4.328 -1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.124 2.913 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.198 1.493 -1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.236 2.223 -4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.837 2.323 -5.469 1.00 0.00 H new ATOM 232 N THR A 14 5.882 5.321 1.841 1.00 0.00 N ATOM 233 CA THR A 14 5.300 6.216 2.822 1.00 0.00 C ATOM 234 C THR A 14 4.536 7.339 2.085 1.00 0.00 C ATOM 235 O THR A 14 5.015 7.827 1.054 1.00 0.00 O ATOM 236 CB THR A 14 6.438 6.783 3.722 1.00 0.00 C ATOM 237 OG1 THR A 14 7.353 5.723 4.069 1.00 0.00 O ATOM 238 CG2 THR A 14 5.897 7.392 5.009 1.00 0.00 C ATOM 0 H THR A 14 6.863 5.521 1.648 1.00 0.00 H new ATOM 0 HA THR A 14 4.592 5.690 3.462 1.00 0.00 H new ATOM 0 HB THR A 14 6.943 7.565 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.069 6.081 4.634 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.725 7.775 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.216 8.208 4.767 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.363 6.629 5.576 1.00 0.00 H new ATOM 246 N LEU A 15 3.351 7.735 2.583 1.00 0.00 N ATOM 247 CA LEU A 15 2.495 8.707 1.884 1.00 0.00 C ATOM 248 C LEU A 15 2.854 10.132 2.326 1.00 0.00 C ATOM 249 O LEU A 15 2.448 10.589 3.406 1.00 0.00 O ATOM 250 CB LEU A 15 0.994 8.425 2.138 1.00 0.00 C ATOM 251 CG LEU A 15 -0.002 9.391 1.415 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.149 9.344 -0.118 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.455 9.125 1.846 1.00 0.00 C ATOM 0 H LEU A 15 2.966 7.397 3.465 1.00 0.00 H new ATOM 0 HA LEU A 15 2.673 8.608 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.775 7.404 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.809 8.476 3.211 1.00 0.00 H new ATOM 0 HG LEU A 15 0.257 10.403 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.563 10.031 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.163 9.636 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.045 8.332 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.121 9.813 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.726 8.099 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.549 9.274 2.922 1.00 0.00 H new ATOM 265 N LYS A 16 3.658 10.801 1.505 1.00 0.00 N ATOM 266 CA LYS A 16 4.113 12.171 1.736 1.00 0.00 C ATOM 267 C LYS A 16 3.009 13.174 1.348 1.00 0.00 C ATOM 268 O LYS A 16 2.820 13.460 0.169 1.00 0.00 O ATOM 269 CB LYS A 16 5.411 12.397 0.907 1.00 0.00 C ATOM 270 CG LYS A 16 6.254 13.610 1.333 1.00 0.00 C ATOM 271 CD LYS A 16 7.632 13.664 0.618 1.00 0.00 C ATOM 272 CE LYS A 16 8.671 14.457 1.424 1.00 0.00 C ATOM 273 NZ LYS A 16 8.919 13.843 2.761 1.00 0.00 N ATOM 0 H LYS A 16 4.020 10.398 0.641 1.00 0.00 H new ATOM 0 HA LYS A 16 4.330 12.329 2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.029 11.502 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.138 12.514 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.702 14.525 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.410 13.578 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.996 12.649 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.512 14.119 -0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.606 14.503 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.326 15.483 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.940 13.843 2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.425 14.393 3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.565 12.865 2.765 1.00 0.00 H new ATOM 287 N GLN A 17 2.266 13.669 2.350 1.00 0.00 N ATOM 288 CA GLN A 17 1.158 14.622 2.150 1.00 0.00 C ATOM 289 C GLN A 17 1.683 16.050 2.387 1.00 0.00 C ATOM 290 O GLN A 17 1.516 16.621 3.473 1.00 0.00 O ATOM 291 CB GLN A 17 -0.032 14.279 3.098 1.00 0.00 C ATOM 292 CG GLN A 17 -0.622 12.876 2.885 1.00 0.00 C ATOM 293 CD GLN A 17 -1.783 12.560 3.834 1.00 0.00 C ATOM 294 OE1 GLN A 17 -1.585 12.019 4.918 1.00 0.00 O ATOM 295 NE2 GLN A 17 -2.996 12.896 3.429 1.00 0.00 N ATOM 0 H GLN A 17 2.416 13.419 3.328 1.00 0.00 H new ATOM 0 HA GLN A 17 0.783 14.552 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.304 14.367 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.820 15.018 2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.968 12.787 1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.164 12.133 3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.125 13.344 2.522 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.803 12.707 4.024 1.00 0.00 H new ATOM 304 N THR A 18 2.367 16.596 1.370 1.00 0.00 N ATOM 305 CA THR A 18 3.041 17.901 1.461 1.00 0.00 C ATOM 306 C THR A 18 2.160 18.993 0.837 1.00 0.00 C ATOM 307 O THR A 18 1.742 18.875 -0.313 1.00 0.00 O ATOM 308 CB THR A 18 4.437 17.861 0.757 1.00 0.00 C ATOM 309 OG1 THR A 18 5.221 16.791 1.305 1.00 0.00 O ATOM 310 CG2 THR A 18 5.210 19.189 0.915 1.00 0.00 C ATOM 0 H THR A 18 2.469 16.145 0.461 1.00 0.00 H new ATOM 0 HA THR A 18 3.201 18.132 2.514 1.00 0.00 H new ATOM 0 HB THR A 18 4.262 17.702 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.095 16.766 0.862 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.173 19.112 0.410 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.632 20.001 0.474 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.371 19.392 1.974 1.00 0.00 H new ATOM 318 N ARG A 19 1.900 20.048 1.613 1.00 0.00 N ATOM 319 CA ARG A 19 1.001 21.150 1.236 1.00 0.00 C ATOM 320 C ARG A 19 1.678 22.116 0.224 1.00 0.00 C ATOM 321 O ARG A 19 2.906 22.124 0.087 1.00 0.00 O ATOM 322 CB ARG A 19 0.543 21.878 2.529 1.00 0.00 C ATOM 323 CG ARG A 19 -0.629 22.879 2.363 1.00 0.00 C ATOM 324 CD ARG A 19 -1.095 23.479 3.704 1.00 0.00 C ATOM 325 NE ARG A 19 -0.019 24.239 4.372 1.00 0.00 N ATOM 326 CZ ARG A 19 -0.190 25.246 5.245 1.00 0.00 C ATOM 327 NH1 ARG A 19 -1.406 25.658 5.596 1.00 0.00 N ATOM 328 NH2 ARG A 19 0.877 25.853 5.749 1.00 0.00 N ATOM 0 H ARG A 19 2.314 20.166 2.538 1.00 0.00 H new ATOM 0 HA ARG A 19 0.124 20.752 0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.252 21.126 3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.397 22.414 2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.321 23.685 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.468 22.373 1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.949 24.134 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.436 22.679 4.361 1.00 0.00 H new ATOM 0 HE ARG A 19 0.941 23.975 4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.231 25.207 5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.513 26.424 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.812 25.554 5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.762 26.619 6.413 1.00 0.00 H new ATOM 342 N ASP A 20 0.863 22.929 -0.464 1.00 0.00 N ATOM 343 CA ASP A 20 1.320 23.819 -1.560 1.00 0.00 C ATOM 344 C ASP A 20 1.160 25.293 -1.138 1.00 0.00 C ATOM 345 O ASP A 20 0.431 25.588 -0.179 1.00 0.00 O ATOM 346 CB ASP A 20 0.476 23.533 -2.830 1.00 0.00 C ATOM 347 CG ASP A 20 1.074 24.097 -4.132 1.00 0.00 C ATOM 348 OD1 ASP A 20 0.802 25.266 -4.467 1.00 0.00 O ATOM 349 OD2 ASP A 20 1.814 23.370 -4.835 1.00 0.00 O ATOM 0 H ASP A 20 -0.138 22.993 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 20 2.372 23.630 -1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.356 22.455 -2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.521 23.952 -2.691 1.00 0.00 H new ATOM 354 N ILE A 21 1.820 26.215 -1.872 1.00 0.00 N ATOM 355 CA ILE A 21 1.648 27.677 -1.702 1.00 0.00 C ATOM 356 C ILE A 21 0.206 28.158 -2.031 1.00 0.00 C ATOM 357 O ILE A 21 -0.193 29.260 -1.625 1.00 0.00 O ATOM 358 CB ILE A 21 2.711 28.450 -2.583 1.00 0.00 C ATOM 359 CG1 ILE A 21 2.743 29.986 -2.257 1.00 0.00 C ATOM 360 CG2 ILE A 21 2.480 28.198 -4.094 1.00 0.00 C ATOM 361 CD1 ILE A 21 3.833 30.781 -2.968 1.00 0.00 C ATOM 0 H ILE A 21 2.489 25.967 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 21 1.814 27.902 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 21 3.691 28.050 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.775 30.416 -2.516 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.869 30.110 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.226 28.743 -4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.567 27.132 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.484 28.542 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.769 31.829 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.811 30.386 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.700 30.697 -4.047 1.00 0.00 H new ATOM 373 N THR A 22 -0.603 27.307 -2.699 1.00 0.00 N ATOM 374 CA THR A 22 -1.991 27.636 -3.079 1.00 0.00 C ATOM 375 C THR A 22 -2.947 26.962 -2.058 1.00 0.00 C ATOM 376 O THR A 22 -4.108 27.355 -1.902 1.00 0.00 O ATOM 377 CB THR A 22 -2.305 27.127 -4.532 1.00 0.00 C ATOM 378 OG1 THR A 22 -2.138 25.697 -4.602 1.00 0.00 O ATOM 379 CG2 THR A 22 -1.388 27.789 -5.585 1.00 0.00 C ATOM 0 H THR A 22 -0.311 26.374 -2.989 1.00 0.00 H new ATOM 0 HA THR A 22 -2.128 28.717 -3.068 1.00 0.00 H new ATOM 0 HB THR A 22 -3.337 27.399 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.184 25.477 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.638 27.409 -6.576 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.531 28.869 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.347 27.556 -5.359 1.00 0.00 H new ATOM 387 N GLY A 23 -2.397 25.938 -1.372 1.00 0.00 N ATOM 388 CA GLY A 23 -3.092 25.205 -0.319 1.00 0.00 C ATOM 389 C GLY A 23 -3.661 23.888 -0.793 1.00 0.00 C ATOM 390 O GLY A 23 -4.769 23.507 -0.409 1.00 0.00 O ATOM 0 H GLY A 23 -1.449 25.602 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.402 25.021 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.899 25.823 0.074 1.00 0.00 H new ATOM 394 N GLU A 24 -2.897 23.182 -1.632 1.00 0.00 N ATOM 395 CA GLU A 24 -3.224 21.822 -2.090 1.00 0.00 C ATOM 396 C GLU A 24 -2.457 20.809 -1.229 1.00 0.00 C ATOM 397 O GLU A 24 -1.337 21.096 -0.807 1.00 0.00 O ATOM 398 CB GLU A 24 -2.794 21.649 -3.575 1.00 0.00 C ATOM 399 CG GLU A 24 -3.510 22.572 -4.575 1.00 0.00 C ATOM 400 CD GLU A 24 -5.008 22.257 -4.707 1.00 0.00 C ATOM 401 OE1 GLU A 24 -5.362 21.266 -5.389 1.00 0.00 O ATOM 402 OE2 GLU A 24 -5.844 22.992 -4.135 1.00 0.00 O ATOM 0 H GLU A 24 -2.024 23.540 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.298 21.658 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.721 21.823 -3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.970 20.614 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.388 23.608 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.036 22.479 -5.552 1.00 0.00 H new ATOM 409 N ILE A 25 -3.050 19.633 -0.980 1.00 0.00 N ATOM 410 CA ILE A 25 -2.369 18.531 -0.276 1.00 0.00 C ATOM 411 C ILE A 25 -1.847 17.530 -1.334 1.00 0.00 C ATOM 412 O ILE A 25 -2.622 16.729 -1.879 1.00 0.00 O ATOM 413 CB ILE A 25 -3.326 17.815 0.758 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.918 18.845 1.776 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.601 16.656 1.491 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.896 19.595 2.621 1.00 0.00 C ATOM 0 H ILE A 25 -4.008 19.417 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.537 18.933 0.302 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.154 17.381 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.512 19.574 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.599 18.318 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.287 16.185 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.265 15.918 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.740 17.049 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.412 20.282 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.316 18.883 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.228 20.158 1.969 1.00 0.00 H new ATOM 428 N LEU A 26 -0.536 17.614 -1.646 1.00 0.00 N ATOM 429 CA LEU A 26 0.108 16.765 -2.664 1.00 0.00 C ATOM 430 C LEU A 26 0.480 15.422 -2.019 1.00 0.00 C ATOM 431 O LEU A 26 1.545 15.289 -1.401 1.00 0.00 O ATOM 432 CB LEU A 26 1.374 17.445 -3.294 1.00 0.00 C ATOM 433 CG LEU A 26 1.162 18.732 -4.165 1.00 0.00 C ATOM 434 CD1 LEU A 26 0.186 18.485 -5.327 1.00 0.00 C ATOM 435 CD2 LEU A 26 0.739 19.947 -3.318 1.00 0.00 C ATOM 0 H LEU A 26 0.102 18.272 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.597 16.610 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.055 17.700 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.879 16.703 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 26 2.131 18.973 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.068 19.402 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.579 17.699 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.782 18.179 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.605 20.813 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.199 19.726 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.511 20.163 -2.580 1.00 0.00 H new ATOM 447 N GLU A 27 -0.443 14.463 -2.128 1.00 0.00 N ATOM 448 CA GLU A 27 -0.287 13.112 -1.587 1.00 0.00 C ATOM 449 C GLU A 27 0.527 12.266 -2.578 1.00 0.00 C ATOM 450 O GLU A 27 0.029 11.872 -3.638 1.00 0.00 O ATOM 451 CB GLU A 27 -1.684 12.492 -1.316 1.00 0.00 C ATOM 452 CG GLU A 27 -2.557 13.353 -0.388 1.00 0.00 C ATOM 453 CD GLU A 27 -3.959 12.777 -0.156 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.865 13.030 -0.982 1.00 0.00 O ATOM 455 OE2 GLU A 27 -4.161 12.059 0.846 1.00 0.00 O ATOM 0 H GLU A 27 -1.334 14.607 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 27 0.251 13.142 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.202 12.351 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.557 11.505 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.054 13.461 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.650 14.352 -0.814 1.00 0.00 H new ATOM 462 N THR A 28 1.783 12.012 -2.208 1.00 0.00 N ATOM 463 CA THR A 28 2.791 11.358 -3.067 1.00 0.00 C ATOM 464 C THR A 28 3.382 10.149 -2.332 1.00 0.00 C ATOM 465 O THR A 28 3.206 10.011 -1.123 1.00 0.00 O ATOM 466 CB THR A 28 3.927 12.366 -3.478 1.00 0.00 C ATOM 467 OG1 THR A 28 4.448 13.033 -2.317 1.00 0.00 O ATOM 468 CG2 THR A 28 3.421 13.417 -4.479 1.00 0.00 C ATOM 0 H THR A 28 2.143 12.257 -1.286 1.00 0.00 H new ATOM 0 HA THR A 28 2.305 11.020 -3.982 1.00 0.00 H new ATOM 0 HB THR A 28 4.715 11.785 -3.957 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.155 13.656 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.235 14.094 -4.738 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.063 12.919 -5.380 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.606 13.984 -4.030 1.00 0.00 H new ATOM 476 N TRP A 29 4.084 9.269 -3.059 1.00 0.00 N ATOM 477 CA TRP A 29 4.631 8.023 -2.491 1.00 0.00 C ATOM 478 C TRP A 29 6.162 8.070 -2.519 1.00 0.00 C ATOM 479 O TRP A 29 6.792 7.911 -3.572 1.00 0.00 O ATOM 480 CB TRP A 29 4.059 6.790 -3.244 1.00 0.00 C ATOM 481 CG TRP A 29 2.562 6.689 -3.100 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.608 7.116 -3.979 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.862 6.182 -1.964 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.360 6.879 -3.467 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.490 6.307 -2.228 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.271 5.622 -0.755 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.479 5.896 -1.320 1.00 0.00 C ATOM 488 CZ3 TRP A 29 1.314 5.214 0.144 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.050 5.350 -0.141 1.00 0.00 C ATOM 0 H TRP A 29 4.289 9.396 -4.050 1.00 0.00 H new ATOM 0 HA TRP A 29 4.326 7.927 -1.449 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.318 6.857 -4.301 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.523 5.882 -2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.808 7.573 -4.937 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.522 7.093 -3.932 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.321 5.511 -0.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.531 6.004 -1.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.619 4.782 1.085 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.778 5.017 0.584 1.00 0.00 H new ATOM 500 N GLU A 30 6.733 8.338 -1.336 1.00 0.00 N ATOM 501 CA GLU A 30 8.180 8.389 -1.131 1.00 0.00 C ATOM 502 C GLU A 30 8.685 6.972 -0.809 1.00 0.00 C ATOM 503 O GLU A 30 8.193 6.312 0.123 1.00 0.00 O ATOM 504 CB GLU A 30 8.572 9.415 -0.021 1.00 0.00 C ATOM 505 CG GLU A 30 7.910 9.205 1.354 1.00 0.00 C ATOM 506 CD GLU A 30 8.523 10.071 2.469 1.00 0.00 C ATOM 507 OE1 GLU A 30 9.606 9.716 2.977 1.00 0.00 O ATOM 508 OE2 GLU A 30 7.935 11.107 2.843 1.00 0.00 O ATOM 0 H GLU A 30 6.195 8.526 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 30 8.660 8.739 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.654 9.384 0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.322 10.416 -0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.846 9.429 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.995 8.155 1.633 1.00 0.00 H new ATOM 515 N ASP A 31 9.617 6.493 -1.651 1.00 0.00 N ATOM 516 CA ASP A 31 10.334 5.224 -1.444 1.00 0.00 C ATOM 517 C ASP A 31 11.068 5.284 -0.101 1.00 0.00 C ATOM 518 O ASP A 31 11.847 6.213 0.129 1.00 0.00 O ATOM 519 CB ASP A 31 11.337 4.982 -2.604 1.00 0.00 C ATOM 520 CG ASP A 31 12.270 3.772 -2.377 1.00 0.00 C ATOM 521 OD1 ASP A 31 11.858 2.629 -2.655 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.423 3.966 -1.934 1.00 0.00 O ATOM 0 H ASP A 31 9.896 6.981 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 31 9.625 4.396 -1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.780 4.831 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.944 5.877 -2.740 1.00 0.00 H new ATOM 527 N GLY A 32 10.833 4.289 0.765 1.00 0.00 N ATOM 528 CA GLY A 32 11.306 4.328 2.145 1.00 0.00 C ATOM 529 C GLY A 32 12.440 3.350 2.382 1.00 0.00 C ATOM 530 O GLY A 32 13.532 3.512 1.825 1.00 0.00 O ATOM 0 H GLY A 32 10.314 3.444 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.641 5.337 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.481 4.097 2.818 1.00 0.00 H new ATOM 534 N HIS A 33 12.178 2.310 3.196 1.00 0.00 N ATOM 535 CA HIS A 33 13.201 1.332 3.609 1.00 0.00 C ATOM 536 C HIS A 33 12.790 -0.070 3.166 1.00 0.00 C ATOM 537 O HIS A 33 11.626 -0.471 3.340 1.00 0.00 O ATOM 538 CB HIS A 33 13.421 1.359 5.144 1.00 0.00 C ATOM 539 CG HIS A 33 13.876 2.685 5.700 1.00 0.00 C ATOM 540 ND1 HIS A 33 15.165 2.930 6.105 1.00 0.00 N ATOM 541 CD2 HIS A 33 13.186 3.822 5.951 1.00 0.00 C ATOM 542 CE1 HIS A 33 15.253 4.158 6.576 1.00 0.00 C ATOM 543 NE2 HIS A 33 14.065 4.723 6.494 1.00 0.00 N ATOM 0 H HIS A 33 11.253 2.125 3.585 1.00 0.00 H new ATOM 0 HA HIS A 33 14.141 1.604 3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.489 1.077 5.634 1.00 0.00 H new ATOM 0 HB3 HIS A 33 14.160 0.601 5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.136 3.989 5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 33 16.148 4.623 6.964 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.837 5.673 6.786 1.00 0.00 H new ATOM 552 N THR A 34 13.749 -0.796 2.577 1.00 0.00 N ATOM 553 CA THR A 34 13.563 -2.171 2.143 1.00 0.00 C ATOM 554 C THR A 34 13.825 -3.126 3.320 1.00 0.00 C ATOM 555 O THR A 34 14.968 -3.288 3.756 1.00 0.00 O ATOM 556 CB THR A 34 14.513 -2.499 0.951 1.00 0.00 C ATOM 557 OG1 THR A 34 14.331 -1.523 -0.093 1.00 0.00 O ATOM 558 CG2 THR A 34 14.254 -3.900 0.383 1.00 0.00 C ATOM 0 H THR A 34 14.684 -0.433 2.390 1.00 0.00 H new ATOM 0 HA THR A 34 12.535 -2.301 1.804 1.00 0.00 H new ATOM 0 HB THR A 34 15.536 -2.470 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.423 -1.597 -0.455 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.937 -4.089 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.415 -4.644 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.226 -3.964 0.027 1.00 0.00 H new ATOM 566 N LEU A 35 12.748 -3.714 3.848 1.00 0.00 N ATOM 567 CA LEU A 35 12.793 -4.629 5.003 1.00 0.00 C ATOM 568 C LEU A 35 12.532 -6.077 4.564 1.00 0.00 C ATOM 569 O LEU A 35 12.054 -6.334 3.450 1.00 0.00 O ATOM 570 CB LEU A 35 11.780 -4.206 6.120 1.00 0.00 C ATOM 571 CG LEU A 35 10.239 -4.242 5.788 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.379 -4.234 7.079 1.00 0.00 C ATOM 573 CD2 LEU A 35 9.827 -3.073 4.865 1.00 0.00 C ATOM 0 H LEU A 35 11.806 -3.569 3.484 1.00 0.00 H new ATOM 0 HA LEU A 35 13.796 -4.567 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.949 -4.851 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.030 -3.190 6.427 1.00 0.00 H new ATOM 0 HG LEU A 35 10.053 -5.176 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.322 -4.259 6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.622 -5.108 7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.588 -3.329 7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.758 -3.132 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.050 -2.126 5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.381 -3.136 3.929 1.00 0.00 H new ATOM 585 N TRP A 36 12.868 -7.012 5.466 1.00 0.00 N ATOM 586 CA TRP A 36 12.760 -8.460 5.211 1.00 0.00 C ATOM 587 C TRP A 36 11.286 -8.918 5.291 1.00 0.00 C ATOM 588 O TRP A 36 10.571 -8.587 6.251 1.00 0.00 O ATOM 589 CB TRP A 36 13.644 -9.264 6.209 1.00 0.00 C ATOM 590 CG TRP A 36 15.004 -8.650 6.500 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.565 -8.478 7.735 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.960 -8.113 5.554 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.789 -7.879 7.619 1.00 0.00 N ATOM 594 CE2 TRP A 36 17.055 -7.651 6.301 1.00 0.00 C ATOM 595 CE3 TRP A 36 16.004 -7.989 4.157 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.170 -7.067 5.708 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.112 -7.406 3.573 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.185 -6.956 4.348 1.00 0.00 C ATOM 0 H TRP A 36 13.223 -6.787 6.395 1.00 0.00 H new ATOM 0 HA TRP A 36 13.124 -8.657 4.203 1.00 0.00 H new ATOM 0 HB2 TRP A 36 13.101 -9.370 7.148 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.793 -10.268 5.812 1.00 0.00 H new ATOM 0 HD1 TRP A 36 15.107 -8.773 8.668 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.406 -7.640 8.396 1.00 0.00 H new ATOM 0 HE3 TRP A 36 15.185 -8.343 3.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 18.997 -6.713 6.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.150 -7.296 2.499 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.041 -6.513 3.862 1.00 0.00 H new ATOM 609 N ALA A 37 10.860 -9.655 4.263 1.00 0.00 N ATOM 610 CA ALA A 37 9.504 -10.213 4.163 1.00 0.00 C ATOM 611 C ALA A 37 9.509 -11.550 3.432 1.00 0.00 C ATOM 612 O ALA A 37 10.562 -12.098 3.146 1.00 0.00 O ATOM 613 CB ALA A 37 8.584 -9.224 3.440 1.00 0.00 C ATOM 0 H ALA A 37 11.452 -9.886 3.465 1.00 0.00 H new ATOM 0 HA ALA A 37 9.132 -10.382 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.581 -9.645 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.547 -8.288 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.969 -9.035 2.438 1.00 0.00 H new ATOM 619 N SER A 38 8.311 -12.108 3.224 1.00 0.00 N ATOM 620 CA SER A 38 8.052 -13.164 2.246 1.00 0.00 C ATOM 621 C SER A 38 6.777 -12.794 1.480 1.00 0.00 C ATOM 622 O SER A 38 5.667 -12.911 2.012 1.00 0.00 O ATOM 623 CB SER A 38 7.907 -14.524 2.951 1.00 0.00 C ATOM 624 OG SER A 38 9.109 -14.879 3.604 1.00 0.00 O ATOM 0 H SER A 38 7.478 -11.830 3.744 1.00 0.00 H new ATOM 0 HA SER A 38 8.885 -13.253 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.094 -14.479 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.643 -15.291 2.222 1.00 0.00 H new ATOM 0 HG SER A 38 8.997 -15.746 4.048 1.00 0.00 H new ATOM 630 N VAL A 39 6.952 -12.328 0.236 1.00 0.00 N ATOM 631 CA VAL A 39 5.869 -11.781 -0.597 1.00 0.00 C ATOM 632 C VAL A 39 5.502 -12.805 -1.686 1.00 0.00 C ATOM 633 O VAL A 39 6.326 -13.151 -2.536 1.00 0.00 O ATOM 634 CB VAL A 39 6.276 -10.380 -1.223 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.688 -10.420 -1.856 1.00 0.00 C ATOM 636 CG2 VAL A 39 5.218 -9.861 -2.243 1.00 0.00 C ATOM 0 H VAL A 39 7.861 -12.320 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 39 4.993 -11.601 0.026 1.00 0.00 H new ATOM 0 HB VAL A 39 6.304 -9.670 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.928 -9.442 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.422 -10.679 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.710 -11.168 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.540 -8.900 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.115 -10.578 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.258 -9.741 -1.742 1.00 0.00 H new ATOM 646 N ASN A 40 4.275 -13.325 -1.598 1.00 0.00 N ATOM 647 CA ASN A 40 3.696 -14.302 -2.541 1.00 0.00 C ATOM 648 C ASN A 40 2.254 -13.901 -2.873 1.00 0.00 C ATOM 649 O ASN A 40 1.584 -13.264 -2.069 1.00 0.00 O ATOM 650 CB ASN A 40 3.665 -15.721 -1.910 1.00 0.00 C ATOM 651 CG ASN A 40 5.045 -16.331 -1.744 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.542 -16.994 -2.650 1.00 0.00 O ATOM 653 ND2 ASN A 40 5.696 -16.086 -0.606 1.00 0.00 N ATOM 0 H ASN A 40 3.632 -13.074 -0.847 1.00 0.00 H new ATOM 0 HA ASN A 40 4.313 -14.313 -3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.179 -15.668 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.058 -16.376 -2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.637 -16.454 -0.468 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.253 -15.531 0.126 1.00 0.00 H new ATOM 660 N MET A 41 1.772 -14.301 -4.051 1.00 0.00 N ATOM 661 CA MET A 41 0.348 -14.180 -4.393 1.00 0.00 C ATOM 662 C MET A 41 -0.382 -15.414 -3.845 1.00 0.00 C ATOM 663 O MET A 41 0.139 -16.539 -3.956 1.00 0.00 O ATOM 664 CB MET A 41 0.148 -14.075 -5.923 1.00 0.00 C ATOM 665 CG MET A 41 0.935 -12.953 -6.598 1.00 0.00 C ATOM 666 SD MET A 41 0.558 -12.776 -8.359 1.00 0.00 S ATOM 667 CE MET A 41 -1.044 -11.974 -8.322 1.00 0.00 C ATOM 0 H MET A 41 2.345 -14.713 -4.787 1.00 0.00 H new ATOM 0 HA MET A 41 -0.057 -13.270 -3.949 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.433 -15.024 -6.378 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.913 -13.929 -6.127 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.721 -12.012 -6.091 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.002 -13.144 -6.479 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.726 -12.491 -8.997 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.444 -12.006 -7.308 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.939 -10.936 -8.638 1.00 0.00 H new ATOM 677 N VAL A 42 -1.551 -15.206 -3.232 1.00 0.00 N ATOM 678 CA VAL A 42 -2.387 -16.305 -2.723 1.00 0.00 C ATOM 679 C VAL A 42 -2.960 -17.117 -3.906 1.00 0.00 C ATOM 680 O VAL A 42 -3.357 -16.552 -4.936 1.00 0.00 O ATOM 681 CB VAL A 42 -3.547 -15.801 -1.784 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.003 -14.977 -0.592 1.00 0.00 C ATOM 683 CG2 VAL A 42 -4.623 -15.014 -2.558 1.00 0.00 C ATOM 0 H VAL A 42 -1.945 -14.279 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.749 -16.945 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.027 -16.692 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.834 -14.648 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.328 -15.595 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.464 -14.107 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.401 -14.687 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.168 -14.143 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.062 -15.654 -3.324 1.00 0.00 H new ATOM 693 N SER A 43 -2.940 -18.440 -3.761 1.00 0.00 N ATOM 694 CA SER A 43 -3.374 -19.381 -4.796 1.00 0.00 C ATOM 695 C SER A 43 -4.826 -19.835 -4.551 1.00 0.00 C ATOM 696 O SER A 43 -5.515 -19.313 -3.655 1.00 0.00 O ATOM 697 CB SER A 43 -2.396 -20.576 -4.800 1.00 0.00 C ATOM 698 OG SER A 43 -1.051 -20.145 -4.992 1.00 0.00 O ATOM 0 H SER A 43 -2.617 -18.898 -2.908 1.00 0.00 H new ATOM 0 HA SER A 43 -3.360 -18.899 -5.773 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.476 -21.117 -3.857 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.673 -21.273 -5.591 1.00 0.00 H new ATOM 0 HG SER A 43 -0.455 -20.923 -4.988 1.00 0.00 H new ATOM 704 N SER A 44 -5.277 -20.800 -5.377 1.00 0.00 N ATOM 705 CA SER A 44 -6.627 -21.386 -5.309 1.00 0.00 C ATOM 706 C SER A 44 -6.952 -21.933 -3.911 1.00 0.00 C ATOM 707 O SER A 44 -8.089 -21.850 -3.475 1.00 0.00 O ATOM 708 CB SER A 44 -6.752 -22.495 -6.373 1.00 0.00 C ATOM 709 OG SER A 44 -5.710 -23.442 -6.232 1.00 0.00 O ATOM 0 H SER A 44 -4.704 -21.199 -6.120 1.00 0.00 H new ATOM 0 HA SER A 44 -7.352 -20.598 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.717 -22.992 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.718 -22.055 -7.370 1.00 0.00 H new ATOM 0 HG SER A 44 -5.807 -24.139 -6.914 1.00 0.00 H new ATOM 715 N LYS A 45 -5.929 -22.471 -3.222 1.00 0.00 N ATOM 716 CA LYS A 45 -6.047 -22.988 -1.845 1.00 0.00 C ATOM 717 C LYS A 45 -6.691 -21.939 -0.917 1.00 0.00 C ATOM 718 O LYS A 45 -7.695 -22.206 -0.251 1.00 0.00 O ATOM 719 CB LYS A 45 -4.646 -23.366 -1.305 1.00 0.00 C ATOM 720 CG LYS A 45 -4.636 -24.003 0.108 1.00 0.00 C ATOM 721 CD LYS A 45 -3.234 -23.991 0.764 1.00 0.00 C ATOM 722 CE LYS A 45 -2.166 -24.714 -0.070 1.00 0.00 C ATOM 723 NZ LYS A 45 -0.813 -24.560 0.516 1.00 0.00 N ATOM 0 H LYS A 45 -4.989 -22.560 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.684 -23.872 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.180 -24.061 -2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.027 -22.469 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.336 -23.466 0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.991 -25.031 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.924 -22.958 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.296 -24.459 1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.414 -25.773 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.169 -24.319 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.120 -25.062 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.566 -23.551 0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.803 -24.960 1.476 1.00 0.00 H new ATOM 737 N GLU A 46 -6.110 -20.732 -0.934 1.00 0.00 N ATOM 738 CA GLU A 46 -6.545 -19.620 -0.084 1.00 0.00 C ATOM 739 C GLU A 46 -7.924 -19.088 -0.515 1.00 0.00 C ATOM 740 O GLU A 46 -8.758 -18.776 0.336 1.00 0.00 O ATOM 741 CB GLU A 46 -5.491 -18.490 -0.111 1.00 0.00 C ATOM 742 CG GLU A 46 -4.098 -18.900 0.407 1.00 0.00 C ATOM 743 CD GLU A 46 -4.134 -19.490 1.829 1.00 0.00 C ATOM 744 OE1 GLU A 46 -4.632 -18.804 2.755 1.00 0.00 O ATOM 745 OE2 GLU A 46 -3.646 -20.620 2.036 1.00 0.00 O ATOM 0 H GLU A 46 -5.323 -20.500 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.642 -19.990 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.392 -18.128 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.856 -17.656 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.665 -19.633 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.442 -18.029 0.397 1.00 0.00 H new ATOM 752 N ALA A 47 -8.135 -18.976 -1.841 1.00 0.00 N ATOM 753 CA ALA A 47 -9.433 -18.566 -2.425 1.00 0.00 C ATOM 754 C ALA A 47 -10.600 -19.472 -1.961 1.00 0.00 C ATOM 755 O ALA A 47 -11.651 -18.981 -1.554 1.00 0.00 O ATOM 756 CB ALA A 47 -9.322 -18.547 -3.957 1.00 0.00 C ATOM 0 H ALA A 47 -7.415 -19.166 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.663 -17.563 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.277 -18.245 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.549 -17.839 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.061 -19.543 -4.315 1.00 0.00 H new ATOM 762 N ILE A 48 -10.381 -20.791 -2.018 1.00 0.00 N ATOM 763 CA ILE A 48 -11.376 -21.808 -1.603 1.00 0.00 C ATOM 764 C ILE A 48 -11.579 -21.784 -0.070 1.00 0.00 C ATOM 765 O ILE A 48 -12.688 -22.000 0.424 1.00 0.00 O ATOM 766 CB ILE A 48 -10.942 -23.252 -2.079 1.00 0.00 C ATOM 767 CG1 ILE A 48 -10.817 -23.309 -3.635 1.00 0.00 C ATOM 768 CG2 ILE A 48 -11.911 -24.355 -1.571 1.00 0.00 C ATOM 769 CD1 ILE A 48 -10.149 -24.568 -4.176 1.00 0.00 C ATOM 0 H ILE A 48 -9.506 -21.193 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 48 -12.324 -21.562 -2.081 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.965 -23.451 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -11.814 -23.228 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.251 -22.441 -3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -11.571 -25.329 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -11.929 -24.350 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -12.914 -24.161 -1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.107 -24.519 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.138 -24.644 -3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.724 -25.443 -3.875 1.00 0.00 H new ATOM 781 N SER A 49 -10.497 -21.484 0.661 1.00 0.00 N ATOM 782 CA SER A 49 -10.486 -21.498 2.132 1.00 0.00 C ATOM 783 C SER A 49 -11.287 -20.310 2.718 1.00 0.00 C ATOM 784 O SER A 49 -12.081 -20.486 3.650 1.00 0.00 O ATOM 785 CB SER A 49 -9.025 -21.466 2.632 1.00 0.00 C ATOM 786 OG SER A 49 -8.937 -21.688 4.028 1.00 0.00 O ATOM 0 H SER A 49 -9.601 -21.224 0.248 1.00 0.00 H new ATOM 0 HA SER A 49 -10.969 -22.413 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.445 -22.225 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.580 -20.501 2.390 1.00 0.00 H new ATOM 0 HG SER A 49 -7.997 -21.662 4.305 1.00 0.00 H new ATOM 792 N SER A 50 -11.087 -19.105 2.151 1.00 0.00 N ATOM 793 CA SER A 50 -11.677 -17.851 2.676 1.00 0.00 C ATOM 794 C SER A 50 -12.875 -17.358 1.825 1.00 0.00 C ATOM 795 O SER A 50 -13.455 -16.308 2.124 1.00 0.00 O ATOM 796 CB SER A 50 -10.582 -16.764 2.753 1.00 0.00 C ATOM 797 OG SER A 50 -9.995 -16.534 1.487 1.00 0.00 O ATOM 0 H SER A 50 -10.514 -18.970 1.318 1.00 0.00 H new ATOM 0 HA SER A 50 -12.067 -18.056 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.013 -15.837 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.813 -17.069 3.463 1.00 0.00 H new ATOM 0 HG SER A 50 -9.492 -17.328 1.210 1.00 0.00 H new ATOM 803 N GLY A 51 -13.223 -18.104 0.758 1.00 0.00 N ATOM 804 CA GLY A 51 -14.373 -17.763 -0.095 1.00 0.00 C ATOM 805 C GLY A 51 -13.984 -16.782 -1.202 1.00 0.00 C ATOM 806 O GLY A 51 -13.922 -17.160 -2.379 1.00 0.00 O ATOM 0 H GLY A 51 -12.723 -18.945 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.778 -18.672 -0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.163 -17.327 0.516 1.00 0.00 H new ATOM 810 N ALA A 52 -13.699 -15.522 -0.818 1.00 0.00 N ATOM 811 CA ALA A 52 -13.304 -14.456 -1.769 1.00 0.00 C ATOM 812 C ALA A 52 -12.346 -13.429 -1.129 1.00 0.00 C ATOM 813 O ALA A 52 -11.898 -12.497 -1.810 1.00 0.00 O ATOM 814 CB ALA A 52 -14.564 -13.756 -2.311 1.00 0.00 C ATOM 0 H ALA A 52 -13.735 -15.213 0.153 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.762 -14.924 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.272 -12.972 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.193 -14.484 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.120 -13.315 -1.483 1.00 0.00 H new ATOM 820 N GLU A 53 -12.045 -13.594 0.176 1.00 0.00 N ATOM 821 CA GLU A 53 -11.170 -12.670 0.925 1.00 0.00 C ATOM 822 C GLU A 53 -9.737 -12.715 0.366 1.00 0.00 C ATOM 823 O GLU A 53 -9.142 -11.680 0.045 1.00 0.00 O ATOM 824 CB GLU A 53 -11.177 -13.045 2.428 1.00 0.00 C ATOM 825 CG GLU A 53 -10.321 -12.137 3.326 1.00 0.00 C ATOM 826 CD GLU A 53 -10.329 -12.597 4.786 1.00 0.00 C ATOM 827 OE1 GLU A 53 -11.250 -12.199 5.543 1.00 0.00 O ATOM 828 OE2 GLU A 53 -9.439 -13.382 5.177 1.00 0.00 O ATOM 0 H GLU A 53 -12.400 -14.368 0.737 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.548 -11.654 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.205 -13.022 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.825 -14.071 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.296 -12.125 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.693 -11.114 3.267 1.00 0.00 H new ATOM 835 N LEU A 54 -9.214 -13.939 0.246 1.00 0.00 N ATOM 836 CA LEU A 54 -7.896 -14.215 -0.331 1.00 0.00 C ATOM 837 C LEU A 54 -8.097 -14.937 -1.667 1.00 0.00 C ATOM 838 O LEU A 54 -7.641 -16.066 -1.857 1.00 0.00 O ATOM 839 CB LEU A 54 -7.053 -15.062 0.664 1.00 0.00 C ATOM 840 CG LEU A 54 -6.791 -14.417 2.061 1.00 0.00 C ATOM 841 CD1 LEU A 54 -6.042 -15.396 2.983 1.00 0.00 C ATOM 842 CD2 LEU A 54 -6.036 -13.071 1.927 1.00 0.00 C ATOM 0 H LEU A 54 -9.703 -14.780 0.553 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.349 -13.289 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.557 -16.016 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.091 -15.280 0.200 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.756 -14.201 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.870 -14.925 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.640 -16.297 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.085 -15.660 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.869 -12.647 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.077 -13.239 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.630 -12.378 1.332 1.00 0.00 H new ATOM 854 N ALA A 55 -8.785 -14.248 -2.597 1.00 0.00 N ATOM 855 CA ALA A 55 -9.085 -14.759 -3.931 1.00 0.00 C ATOM 856 C ALA A 55 -7.847 -14.568 -4.795 1.00 0.00 C ATOM 857 O ALA A 55 -7.017 -13.697 -4.496 1.00 0.00 O ATOM 858 CB ALA A 55 -10.303 -14.034 -4.528 1.00 0.00 C ATOM 0 H ALA A 55 -9.149 -13.310 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.339 -15.818 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.510 -14.429 -5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.170 -14.191 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.093 -12.967 -4.598 1.00 0.00 H new ATOM 864 N ILE A 56 -7.719 -15.361 -5.857 1.00 0.00 N ATOM 865 CA ILE A 56 -6.486 -15.392 -6.652 1.00 0.00 C ATOM 866 C ILE A 56 -6.230 -14.002 -7.302 1.00 0.00 C ATOM 867 O ILE A 56 -7.091 -13.479 -8.012 1.00 0.00 O ATOM 868 CB ILE A 56 -6.544 -16.507 -7.763 1.00 0.00 C ATOM 869 CG1 ILE A 56 -6.858 -17.902 -7.136 1.00 0.00 C ATOM 870 CG2 ILE A 56 -5.240 -16.554 -8.603 1.00 0.00 C ATOM 871 CD1 ILE A 56 -7.085 -19.019 -8.150 1.00 0.00 C ATOM 0 H ILE A 56 -8.450 -15.990 -6.189 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.662 -15.631 -5.980 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.356 -16.248 -8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.033 -18.185 -6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.745 -17.812 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.321 -17.336 -9.358 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.088 -15.592 -9.092 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.394 -16.767 -7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.296 -19.950 -7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.930 -18.764 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.191 -19.142 -8.762 1.00 0.00 H new ATOM 883 N GLY A 57 -5.056 -13.421 -7.012 1.00 0.00 N ATOM 884 CA GLY A 57 -4.708 -12.038 -7.399 1.00 0.00 C ATOM 885 C GLY A 57 -4.491 -11.138 -6.180 1.00 0.00 C ATOM 886 O GLY A 57 -3.940 -10.032 -6.285 1.00 0.00 O ATOM 0 H GLY A 57 -4.314 -13.897 -6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.804 -12.049 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.504 -11.624 -8.018 1.00 0.00 H new ATOM 890 N THR A 58 -4.908 -11.648 -5.012 1.00 0.00 N ATOM 891 CA THR A 58 -4.588 -11.073 -3.702 1.00 0.00 C ATOM 892 C THR A 58 -3.157 -11.513 -3.329 1.00 0.00 C ATOM 893 O THR A 58 -2.759 -12.633 -3.630 1.00 0.00 O ATOM 894 CB THR A 58 -5.641 -11.545 -2.636 1.00 0.00 C ATOM 895 OG1 THR A 58 -6.957 -11.134 -3.051 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.363 -11.025 -1.219 1.00 0.00 C ATOM 0 H THR A 58 -5.487 -12.486 -4.953 1.00 0.00 H new ATOM 0 HA THR A 58 -4.631 -9.984 -3.732 1.00 0.00 H new ATOM 0 HB THR A 58 -5.567 -12.631 -2.585 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.349 -11.824 -3.626 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.132 -11.392 -0.539 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.386 -11.378 -0.887 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.373 -9.935 -1.223 1.00 0.00 H new ATOM 904 N VAL A 59 -2.363 -10.608 -2.749 1.00 0.00 N ATOM 905 CA VAL A 59 -0.949 -10.859 -2.422 1.00 0.00 C ATOM 906 C VAL A 59 -0.743 -10.943 -0.893 1.00 0.00 C ATOM 907 O VAL A 59 -0.984 -9.980 -0.170 1.00 0.00 O ATOM 908 CB VAL A 59 -0.029 -9.740 -3.033 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.473 -10.051 -2.784 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.338 -9.551 -4.541 1.00 0.00 C ATOM 0 H VAL A 59 -2.681 -9.674 -2.490 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.669 -11.817 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.246 -8.799 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.085 -9.260 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.660 -10.108 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.729 -11.004 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.307 -8.773 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.157 -10.487 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.381 -9.260 -4.665 1.00 0.00 H new ATOM 920 N ARG A 60 -0.321 -12.126 -0.431 1.00 0.00 N ATOM 921 CA ARG A 60 0.078 -12.387 0.966 1.00 0.00 C ATOM 922 C ARG A 60 1.543 -11.973 1.192 1.00 0.00 C ATOM 923 O ARG A 60 2.427 -12.383 0.447 1.00 0.00 O ATOM 924 CB ARG A 60 -0.137 -13.898 1.284 1.00 0.00 C ATOM 925 CG ARG A 60 0.738 -14.483 2.424 1.00 0.00 C ATOM 926 CD ARG A 60 0.087 -15.691 3.094 1.00 0.00 C ATOM 927 NE ARG A 60 -1.094 -15.259 3.858 1.00 0.00 N ATOM 928 CZ ARG A 60 -2.285 -15.845 3.858 1.00 0.00 C ATOM 929 NH1 ARG A 60 -2.536 -16.887 3.089 1.00 0.00 N ATOM 930 NH2 ARG A 60 -3.232 -15.357 4.631 1.00 0.00 N ATOM 0 H ARG A 60 -0.244 -12.950 -1.028 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.538 -11.794 1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.185 -14.049 1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.053 -14.471 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.709 -14.773 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.921 -13.711 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.203 -16.424 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.801 -16.180 3.756 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.987 -14.430 4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.808 -17.258 2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.458 -17.322 3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.044 -14.543 5.216 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.154 -15.793 4.645 1.00 0.00 H new ATOM 944 N ILE A 61 1.793 -11.163 2.232 1.00 0.00 N ATOM 945 CA ILE A 61 3.132 -10.633 2.541 1.00 0.00 C ATOM 946 C ILE A 61 3.369 -10.776 4.052 1.00 0.00 C ATOM 947 O ILE A 61 2.705 -10.129 4.856 1.00 0.00 O ATOM 948 CB ILE A 61 3.275 -9.127 2.080 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.855 -8.982 0.575 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.712 -8.606 2.325 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.820 -7.578 0.029 1.00 0.00 C ATOM 0 H ILE A 61 1.072 -10.856 2.884 1.00 0.00 H new ATOM 0 HA ILE A 61 3.886 -11.199 1.994 1.00 0.00 H new ATOM 0 HB ILE A 61 2.604 -8.511 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.545 -9.569 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.866 -9.423 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.783 -7.568 1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.946 -8.670 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.420 -9.213 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.517 -7.602 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.107 -6.983 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.811 -7.131 0.110 1.00 0.00 H new ATOM 963 N TRP A 62 4.272 -11.681 4.437 1.00 0.00 N ATOM 964 CA TRP A 62 4.586 -11.956 5.856 1.00 0.00 C ATOM 965 C TRP A 62 5.849 -11.221 6.272 1.00 0.00 C ATOM 966 O TRP A 62 6.861 -11.287 5.584 1.00 0.00 O ATOM 967 CB TRP A 62 4.750 -13.487 6.102 1.00 0.00 C ATOM 968 CG TRP A 62 3.442 -14.227 6.229 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.274 -13.945 5.591 1.00 0.00 C ATOM 970 CD2 TRP A 62 3.179 -15.365 7.053 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.302 -14.824 5.978 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.833 -15.710 6.864 1.00 0.00 C ATOM 973 CE3 TRP A 62 3.951 -16.125 7.926 1.00 0.00 C ATOM 974 CZ2 TRP A 62 1.241 -16.780 7.519 1.00 0.00 C ATOM 975 CZ3 TRP A 62 3.361 -17.190 8.575 1.00 0.00 C ATOM 976 CH2 TRP A 62 2.016 -17.506 8.370 1.00 0.00 C ATOM 0 H TRP A 62 4.810 -12.247 3.781 1.00 0.00 H new ATOM 0 HA TRP A 62 3.754 -11.597 6.462 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.322 -13.918 5.281 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.332 -13.639 7.011 1.00 0.00 H new ATOM 0 HD1 TRP A 62 2.135 -13.143 4.881 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.335 -14.817 5.655 1.00 0.00 H new ATOM 0 HE3 TRP A 62 4.991 -15.886 8.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.202 -17.028 7.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.949 -17.790 9.253 1.00 0.00 H new ATOM 0 HH2 TRP A 62 1.583 -18.343 8.897 1.00 0.00 H new ATOM 987 N ILE A 63 5.776 -10.535 7.411 1.00 0.00 N ATOM 988 CA ILE A 63 6.947 -9.967 8.097 1.00 0.00 C ATOM 989 C ILE A 63 6.876 -10.391 9.570 1.00 0.00 C ATOM 990 O ILE A 63 5.823 -10.838 10.037 1.00 0.00 O ATOM 991 CB ILE A 63 7.037 -8.396 8.003 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.807 -7.719 8.669 1.00 0.00 C ATOM 993 CG2 ILE A 63 7.208 -7.924 6.540 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.942 -6.221 8.851 1.00 0.00 C ATOM 0 H ILE A 63 4.896 -10.353 7.893 1.00 0.00 H new ATOM 0 HA ILE A 63 7.841 -10.348 7.603 1.00 0.00 H new ATOM 0 HB ILE A 63 7.926 -8.088 8.554 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.924 -7.921 8.064 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.638 -8.178 9.643 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.266 -6.836 6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.123 -8.347 6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.355 -8.256 5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.041 -5.829 9.322 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.804 -6.007 9.483 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.079 -5.747 7.879 1.00 0.00 H new ATOM 1006 N ARG A 64 8.006 -10.323 10.278 1.00 0.00 N ATOM 1007 CA ARG A 64 8.007 -10.365 11.753 1.00 0.00 C ATOM 1008 C ARG A 64 7.264 -9.129 12.316 1.00 0.00 C ATOM 1009 O ARG A 64 7.248 -8.069 11.673 1.00 0.00 O ATOM 1010 CB ARG A 64 9.457 -10.450 12.288 1.00 0.00 C ATOM 1011 CG ARG A 64 10.170 -11.776 11.935 1.00 0.00 C ATOM 1012 CD ARG A 64 11.633 -11.815 12.401 1.00 0.00 C ATOM 1013 NE ARG A 64 12.455 -10.773 11.751 1.00 0.00 N ATOM 1014 CZ ARG A 64 13.772 -10.849 11.526 1.00 0.00 C ATOM 1015 NH1 ARG A 64 14.468 -11.927 11.885 1.00 0.00 N ATOM 1016 NH2 ARG A 64 14.395 -9.831 10.949 1.00 0.00 N ATOM 0 H ARG A 64 8.933 -10.239 9.860 1.00 0.00 H new ATOM 0 HA ARG A 64 7.479 -11.258 12.089 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.034 -9.618 11.884 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.443 -10.332 13.371 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.628 -12.605 12.389 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.134 -11.925 10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.671 -11.683 13.482 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.055 -12.796 12.184 1.00 0.00 H new ATOM 0 HE ARG A 64 11.978 -9.924 11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.997 -12.710 12.338 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.471 -11.969 11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.871 -8.998 10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.399 -9.880 10.774 1.00 0.00 H new ATOM 1030 N TYR A 65 6.657 -9.287 13.512 1.00 0.00 N ATOM 1031 CA TYR A 65 5.765 -8.275 14.131 1.00 0.00 C ATOM 1032 C TYR A 65 6.455 -6.905 14.215 1.00 0.00 C ATOM 1033 O TYR A 65 7.504 -6.771 14.859 1.00 0.00 O ATOM 1034 CB TYR A 65 5.330 -8.756 15.540 1.00 0.00 C ATOM 1035 CG TYR A 65 4.250 -7.896 16.229 1.00 0.00 C ATOM 1036 CD1 TYR A 65 4.586 -6.755 16.977 1.00 0.00 C ATOM 1037 CD2 TYR A 65 2.895 -8.212 16.120 1.00 0.00 C ATOM 1038 CE1 TYR A 65 3.619 -5.982 17.584 1.00 0.00 C ATOM 1039 CE2 TYR A 65 1.926 -7.436 16.734 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.293 -6.323 17.457 1.00 0.00 C ATOM 1041 OH TYR A 65 1.329 -5.547 18.062 1.00 0.00 O ATOM 0 H TYR A 65 6.771 -10.125 14.081 1.00 0.00 H new ATOM 0 HA TYR A 65 4.881 -8.160 13.504 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.959 -9.778 15.458 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.210 -8.787 16.182 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.625 -6.477 17.079 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.597 -9.077 15.547 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.902 -5.112 18.157 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.883 -7.704 16.646 1.00 0.00 H new ATOM 0 HH TYR A 65 0.443 -5.922 17.876 1.00 0.00 H new ATOM 1051 N ARG A 66 5.871 -5.901 13.539 1.00 0.00 N ATOM 1052 CA ARG A 66 6.403 -4.532 13.523 1.00 0.00 C ATOM 1053 C ARG A 66 5.248 -3.531 13.689 1.00 0.00 C ATOM 1054 O ARG A 66 4.260 -3.576 12.948 1.00 0.00 O ATOM 1055 CB ARG A 66 7.196 -4.254 12.217 1.00 0.00 C ATOM 1056 CG ARG A 66 7.965 -2.915 12.233 1.00 0.00 C ATOM 1057 CD ARG A 66 8.807 -2.685 10.973 1.00 0.00 C ATOM 1058 NE ARG A 66 9.495 -1.380 11.022 1.00 0.00 N ATOM 1059 CZ ARG A 66 9.822 -0.632 9.957 1.00 0.00 C ATOM 1060 NH1 ARG A 66 9.572 -1.052 8.720 1.00 0.00 N ATOM 1061 NH2 ARG A 66 10.423 0.533 10.141 1.00 0.00 N ATOM 0 H ARG A 66 5.019 -6.017 12.990 1.00 0.00 H new ATOM 0 HA ARG A 66 7.097 -4.415 14.355 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.903 -5.067 12.051 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.504 -4.256 11.375 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.253 -2.096 12.341 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.616 -2.888 13.107 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.542 -3.483 10.873 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.167 -2.729 10.092 1.00 0.00 H new ATOM 0 HE ARG A 66 9.743 -1.016 11.942 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.125 -1.956 8.569 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.828 -0.470 7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.633 0.855 11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.676 1.109 9.338 1.00 0.00 H new ATOM 1075 N LYS A 67 5.409 -2.620 14.661 1.00 0.00 N ATOM 1076 CA LYS A 67 4.381 -1.635 15.057 1.00 0.00 C ATOM 1077 C LYS A 67 4.391 -0.377 14.158 1.00 0.00 C ATOM 1078 O LYS A 67 3.598 0.540 14.377 1.00 0.00 O ATOM 1079 CB LYS A 67 4.606 -1.222 16.537 1.00 0.00 C ATOM 1080 CG LYS A 67 4.712 -2.406 17.520 1.00 0.00 C ATOM 1081 CD LYS A 67 4.853 -1.942 18.986 1.00 0.00 C ATOM 1082 CE LYS A 67 5.114 -3.103 19.953 1.00 0.00 C ATOM 1083 NZ LYS A 67 6.439 -3.735 19.723 1.00 0.00 N ATOM 0 H LYS A 67 6.269 -2.543 15.204 1.00 0.00 H new ATOM 0 HA LYS A 67 3.407 -2.110 14.938 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.519 -0.629 16.601 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.785 -0.578 16.851 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.827 -3.035 17.424 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.571 -3.022 17.252 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.670 -1.224 19.058 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.944 -1.422 19.287 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.060 -2.739 20.979 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.331 -3.852 19.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.647 -4.397 20.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.425 -4.252 18.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.173 -2.999 19.689 1.00 0.00 H new ATOM 1097 N ASP A 68 5.270 -0.349 13.143 1.00 0.00 N ATOM 1098 CA ASP A 68 5.454 0.822 12.252 1.00 0.00 C ATOM 1099 C ASP A 68 4.575 0.714 11.002 1.00 0.00 C ATOM 1100 O ASP A 68 4.285 1.726 10.349 1.00 0.00 O ATOM 1101 CB ASP A 68 6.937 0.932 11.807 1.00 0.00 C ATOM 1102 CG ASP A 68 7.901 1.154 12.976 1.00 0.00 C ATOM 1103 OD1 ASP A 68 8.295 0.164 13.631 1.00 0.00 O ATOM 1104 OD2 ASP A 68 8.264 2.312 13.257 1.00 0.00 O ATOM 0 H ASP A 68 5.877 -1.136 12.912 1.00 0.00 H new ATOM 0 HA ASP A 68 5.165 1.709 12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.220 0.022 11.279 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.038 1.755 11.100 1.00 0.00 H new ATOM 1109 N ILE A 69 4.160 -0.520 10.664 1.00 0.00 N ATOM 1110 CA ILE A 69 3.481 -0.799 9.389 1.00 0.00 C ATOM 1111 C ILE A 69 1.997 -0.428 9.486 1.00 0.00 C ATOM 1112 O ILE A 69 1.309 -0.808 10.442 1.00 0.00 O ATOM 1113 CB ILE A 69 3.655 -2.293 8.934 1.00 0.00 C ATOM 1114 CG1 ILE A 69 5.154 -2.731 9.047 1.00 0.00 C ATOM 1115 CG2 ILE A 69 3.120 -2.494 7.487 1.00 0.00 C ATOM 1116 CD1 ILE A 69 6.146 -1.901 8.246 1.00 0.00 C ATOM 0 H ILE A 69 4.284 -1.340 11.258 1.00 0.00 H new ATOM 0 HA ILE A 69 3.953 -0.180 8.626 1.00 0.00 H new ATOM 0 HB ILE A 69 3.067 -2.926 9.598 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.445 -2.698 10.097 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.235 -3.770 8.726 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.250 -3.535 7.192 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.061 -2.237 7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.673 -1.851 6.802 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.152 -2.291 8.397 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.892 -1.952 7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.105 -0.864 8.579 1.00 0.00 H new ATOM 1128 N ASN A 70 1.525 0.318 8.480 1.00 0.00 N ATOM 1129 CA ASN A 70 0.168 0.885 8.440 1.00 0.00 C ATOM 1130 C ASN A 70 -0.479 0.589 7.076 1.00 0.00 C ATOM 1131 O ASN A 70 0.225 0.365 6.087 1.00 0.00 O ATOM 1132 CB ASN A 70 0.239 2.414 8.683 1.00 0.00 C ATOM 1133 CG ASN A 70 -1.122 3.038 8.982 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -1.831 3.474 8.082 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -1.504 3.056 10.254 1.00 0.00 N ATOM 0 H ASN A 70 2.082 0.549 7.657 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.441 0.430 9.221 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.914 2.612 9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.667 2.896 7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.414 3.441 10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.888 2.684 10.977 1.00 0.00 H new ATOM 1142 N ALA A 71 -1.825 0.637 7.036 1.00 0.00 N ATOM 1143 CA ALA A 71 -2.627 0.335 5.835 1.00 0.00 C ATOM 1144 C ALA A 71 -2.422 1.378 4.716 1.00 0.00 C ATOM 1145 O ALA A 71 -2.595 1.067 3.532 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.118 0.235 6.213 1.00 0.00 C ATOM 0 H ALA A 71 -2.392 0.889 7.846 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.285 -0.623 5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.705 0.012 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.255 -0.560 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.450 1.182 6.638 1.00 0.00 H new ATOM 1152 N THR A 72 -2.043 2.606 5.107 1.00 0.00 N ATOM 1153 CA THR A 72 -1.813 3.723 4.182 1.00 0.00 C ATOM 1154 C THR A 72 -0.376 3.688 3.580 1.00 0.00 C ATOM 1155 O THR A 72 0.052 4.631 2.915 1.00 0.00 O ATOM 1156 CB THR A 72 -2.062 5.072 4.950 1.00 0.00 C ATOM 1157 OG1 THR A 72 -3.192 4.933 5.830 1.00 0.00 O ATOM 1158 CG2 THR A 72 -2.324 6.257 4.003 1.00 0.00 C ATOM 0 H THR A 72 -1.887 2.851 6.085 1.00 0.00 H new ATOM 0 HA THR A 72 -2.507 3.637 3.346 1.00 0.00 H new ATOM 0 HB THR A 72 -1.152 5.283 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.913 4.474 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.489 7.161 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.462 6.399 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.207 6.051 3.398 1.00 0.00 H new ATOM 1166 N SER A 73 0.366 2.596 3.819 1.00 0.00 N ATOM 1167 CA SER A 73 1.729 2.403 3.289 1.00 0.00 C ATOM 1168 C SER A 73 1.710 1.273 2.245 1.00 0.00 C ATOM 1169 O SER A 73 1.318 0.152 2.561 1.00 0.00 O ATOM 1170 CB SER A 73 2.683 2.068 4.456 1.00 0.00 C ATOM 1171 OG SER A 73 2.618 3.067 5.469 1.00 0.00 O ATOM 0 H SER A 73 0.037 1.816 4.388 1.00 0.00 H new ATOM 0 HA SER A 73 2.082 3.313 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.420 1.098 4.879 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.704 1.987 4.084 1.00 0.00 H new ATOM 0 HG SER A 73 3.229 2.833 6.199 1.00 0.00 H new ATOM 1177 N ARG A 74 2.097 1.576 0.993 1.00 0.00 N ATOM 1178 CA ARG A 74 2.085 0.588 -0.112 1.00 0.00 C ATOM 1179 C ARG A 74 3.356 -0.264 -0.080 1.00 0.00 C ATOM 1180 O ARG A 74 4.454 0.255 0.113 1.00 0.00 O ATOM 1181 CB ARG A 74 1.949 1.302 -1.478 1.00 0.00 C ATOM 1182 CG ARG A 74 0.536 1.824 -1.785 1.00 0.00 C ATOM 1183 CD ARG A 74 0.495 2.824 -2.958 1.00 0.00 C ATOM 1184 NE ARG A 74 1.249 2.391 -4.149 1.00 0.00 N ATOM 1185 CZ ARG A 74 0.924 2.691 -5.417 1.00 0.00 C ATOM 1186 NH1 ARG A 74 -0.229 3.295 -5.701 1.00 0.00 N ATOM 1187 NH2 ARG A 74 1.748 2.376 -6.405 1.00 0.00 N ATOM 0 H ARG A 74 2.424 2.501 0.716 1.00 0.00 H new ATOM 0 HA ARG A 74 1.224 -0.067 0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.647 2.139 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.247 0.611 -2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.114 0.979 -2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.132 2.304 -0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.544 2.992 -3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.892 3.781 -2.619 1.00 0.00 H new ATOM 0 HE ARG A 74 2.081 1.820 -3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.877 3.535 -4.951 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.464 3.517 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.630 1.905 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.500 2.604 -7.368 1.00 0.00 H new ATOM 1201 N ILE A 75 3.187 -1.572 -0.283 1.00 0.00 N ATOM 1202 CA ILE A 75 4.274 -2.543 -0.214 1.00 0.00 C ATOM 1203 C ILE A 75 4.821 -2.829 -1.629 1.00 0.00 C ATOM 1204 O ILE A 75 4.205 -3.556 -2.408 1.00 0.00 O ATOM 1205 CB ILE A 75 3.771 -3.875 0.450 1.00 0.00 C ATOM 1206 CG1 ILE A 75 3.036 -3.603 1.805 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.941 -4.854 0.644 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.891 -2.974 2.891 1.00 0.00 C ATOM 0 H ILE A 75 2.282 -1.988 -0.502 1.00 0.00 H new ATOM 0 HA ILE A 75 5.076 -2.128 0.397 1.00 0.00 H new ATOM 0 HB ILE A 75 3.046 -4.331 -0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.184 -2.951 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.638 -4.546 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.575 -5.771 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.385 -5.086 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.693 -4.399 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.289 -2.827 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.730 -3.631 3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.269 -2.012 2.545 1.00 0.00 H new ATOM 1220 N LYS A 76 5.964 -2.226 -1.961 1.00 0.00 N ATOM 1221 CA LYS A 76 6.655 -2.455 -3.240 1.00 0.00 C ATOM 1222 C LYS A 76 7.650 -3.613 -3.098 1.00 0.00 C ATOM 1223 O LYS A 76 8.576 -3.541 -2.295 1.00 0.00 O ATOM 1224 CB LYS A 76 7.380 -1.164 -3.696 1.00 0.00 C ATOM 1225 CG LYS A 76 8.289 -1.351 -4.936 1.00 0.00 C ATOM 1226 CD LYS A 76 8.876 -0.024 -5.471 1.00 0.00 C ATOM 1227 CE LYS A 76 9.457 0.868 -4.362 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.235 2.002 -4.913 1.00 0.00 N ATOM 0 H LYS A 76 6.441 -1.562 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 76 5.919 -2.721 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.634 -0.401 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.984 -0.789 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.107 -2.025 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.716 -1.832 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.658 -0.246 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.096 0.525 -5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.646 1.252 -3.743 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.097 0.270 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.899 2.350 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.766 1.685 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.587 2.768 -5.185 1.00 0.00 H new ATOM 1242 N VAL A 77 7.456 -4.666 -3.894 1.00 0.00 N ATOM 1243 CA VAL A 77 8.309 -5.868 -3.870 1.00 0.00 C ATOM 1244 C VAL A 77 9.691 -5.578 -4.523 1.00 0.00 C ATOM 1245 O VAL A 77 9.780 -5.234 -5.710 1.00 0.00 O ATOM 1246 CB VAL A 77 7.575 -7.076 -4.572 1.00 0.00 C ATOM 1247 CG1 VAL A 77 7.025 -6.680 -5.957 1.00 0.00 C ATOM 1248 CG2 VAL A 77 8.474 -8.331 -4.664 1.00 0.00 C ATOM 0 H VAL A 77 6.701 -4.715 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 77 8.492 -6.147 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 77 6.726 -7.336 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.527 -7.537 -6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.312 -5.863 -5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.847 -6.359 -6.597 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.926 -9.136 -5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.368 -8.096 -5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.762 -8.647 -3.661 1.00 0.00 H new ATOM 1258 N SER A 78 10.751 -5.663 -3.702 1.00 0.00 N ATOM 1259 CA SER A 78 12.151 -5.468 -4.140 1.00 0.00 C ATOM 1260 C SER A 78 12.731 -6.742 -4.792 1.00 0.00 C ATOM 1261 O SER A 78 13.659 -6.661 -5.602 1.00 0.00 O ATOM 1262 CB SER A 78 13.011 -5.067 -2.928 1.00 0.00 C ATOM 1263 OG SER A 78 12.448 -3.956 -2.260 1.00 0.00 O ATOM 0 H SER A 78 10.664 -5.870 -2.707 1.00 0.00 H new ATOM 0 HA SER A 78 12.164 -4.678 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.092 -5.908 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.022 -4.826 -3.257 1.00 0.00 H new ATOM 0 HG SER A 78 12.761 -3.128 -2.681 1.00 0.00 H new ATOM 1269 N THR A 79 12.166 -7.904 -4.426 1.00 0.00 N ATOM 1270 CA THR A 79 12.577 -9.214 -4.948 1.00 0.00 C ATOM 1271 C THR A 79 11.528 -10.261 -4.536 1.00 0.00 C ATOM 1272 O THR A 79 11.004 -10.227 -3.409 1.00 0.00 O ATOM 1273 CB THR A 79 14.023 -9.639 -4.493 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.399 -10.876 -5.116 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.154 -9.766 -2.971 1.00 0.00 C ATOM 0 H THR A 79 11.403 -7.959 -3.752 1.00 0.00 H new ATOM 0 HA THR A 79 12.629 -9.144 -6.035 1.00 0.00 H new ATOM 0 HB THR A 79 14.696 -8.843 -4.811 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.301 -11.128 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.172 -10.061 -2.717 1.00 0.00 H new ATOM 0 HG22 THR A 79 13.927 -8.807 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.456 -10.520 -2.607 1.00 0.00 H new ATOM 1283 N GLY A 80 11.194 -11.148 -5.482 1.00 0.00 N ATOM 1284 CA GLY A 80 10.127 -12.137 -5.314 1.00 0.00 C ATOM 1285 C GLY A 80 9.461 -12.471 -6.645 1.00 0.00 C ATOM 1286 O GLY A 80 9.984 -12.096 -7.702 1.00 0.00 O ATOM 0 H GLY A 80 11.659 -11.198 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.537 -13.045 -4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.380 -11.754 -4.618 1.00 0.00 H new ATOM 1290 N PRO A 81 8.268 -13.146 -6.637 1.00 0.00 N ATOM 1291 CA PRO A 81 7.556 -13.563 -7.873 1.00 0.00 C ATOM 1292 C PRO A 81 6.899 -12.375 -8.611 1.00 0.00 C ATOM 1293 O PRO A 81 6.410 -12.528 -9.732 1.00 0.00 O ATOM 1294 CB PRO A 81 6.496 -14.565 -7.337 1.00 0.00 C ATOM 1295 CG PRO A 81 6.198 -14.078 -5.953 1.00 0.00 C ATOM 1296 CD PRO A 81 7.514 -13.547 -5.418 1.00 0.00 C ATOM 0 HA PRO A 81 8.225 -13.994 -8.618 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.601 -14.569 -7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.881 -15.585 -7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.437 -13.298 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.817 -14.885 -5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.359 -12.701 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.050 -14.308 -4.851 1.00 0.00 H new ATOM 1304 N LEU A 82 6.893 -11.198 -7.962 1.00 0.00 N ATOM 1305 CA LEU A 82 6.290 -9.962 -8.494 1.00 0.00 C ATOM 1306 C LEU A 82 7.344 -8.853 -8.654 1.00 0.00 C ATOM 1307 O LEU A 82 6.982 -7.723 -9.000 1.00 0.00 O ATOM 1308 CB LEU A 82 5.172 -9.492 -7.525 1.00 0.00 C ATOM 1309 CG LEU A 82 3.989 -10.480 -7.325 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.067 -10.010 -6.183 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.212 -10.676 -8.649 1.00 0.00 C ATOM 0 H LEU A 82 7.312 -11.076 -7.040 1.00 0.00 H new ATOM 0 HA LEU A 82 5.872 -10.169 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.621 -9.292 -6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.773 -8.547 -7.893 1.00 0.00 H new ATOM 0 HG LEU A 82 4.393 -11.450 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.247 -10.718 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.637 -9.953 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.664 -9.026 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.388 -11.371 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.817 -9.717 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.883 -11.078 -9.408 1.00 0.00 H new ATOM 1323 N ALA A 83 8.638 -9.215 -8.428 1.00 0.00 N ATOM 1324 CA ALA A 83 9.765 -8.264 -8.234 1.00 0.00 C ATOM 1325 C ALA A 83 9.740 -7.066 -9.214 1.00 0.00 C ATOM 1326 O ALA A 83 9.845 -7.247 -10.434 1.00 0.00 O ATOM 1327 CB ALA A 83 11.100 -9.014 -8.334 1.00 0.00 C ATOM 0 H ALA A 83 8.929 -10.191 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 83 9.649 -7.838 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.923 -8.313 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.143 -9.785 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.184 -9.477 -9.317 1.00 0.00 H new ATOM 1333 N GLY A 84 9.552 -5.855 -8.653 1.00 0.00 N ATOM 1334 CA GLY A 84 9.534 -4.607 -9.426 1.00 0.00 C ATOM 1335 C GLY A 84 8.172 -3.932 -9.455 1.00 0.00 C ATOM 1336 O GLY A 84 8.064 -2.781 -9.897 1.00 0.00 O ATOM 0 H GLY A 84 9.409 -5.720 -7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.264 -3.917 -9.004 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.848 -4.817 -10.448 1.00 0.00 H new ATOM 1340 N ARG A 85 7.126 -4.638 -8.991 1.00 0.00 N ATOM 1341 CA ARG A 85 5.752 -4.087 -8.914 1.00 0.00 C ATOM 1342 C ARG A 85 5.477 -3.511 -7.512 1.00 0.00 C ATOM 1343 O ARG A 85 6.293 -3.657 -6.591 1.00 0.00 O ATOM 1344 CB ARG A 85 4.689 -5.169 -9.276 1.00 0.00 C ATOM 1345 CG ARG A 85 4.811 -5.717 -10.719 1.00 0.00 C ATOM 1346 CD ARG A 85 3.554 -6.476 -11.180 1.00 0.00 C ATOM 1347 NE ARG A 85 2.357 -5.609 -11.143 1.00 0.00 N ATOM 1348 CZ ARG A 85 1.881 -4.870 -12.163 1.00 0.00 C ATOM 1349 NH1 ARG A 85 2.460 -4.897 -13.357 1.00 0.00 N ATOM 1350 NH2 ARG A 85 0.821 -4.096 -11.973 1.00 0.00 N ATOM 0 H ARG A 85 7.203 -5.600 -8.660 1.00 0.00 H new ATOM 0 HA ARG A 85 5.674 -3.281 -9.644 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.778 -5.999 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.694 -4.744 -9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.000 -4.889 -11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.673 -6.382 -10.778 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.704 -6.849 -12.193 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.396 -7.344 -10.540 1.00 0.00 H new ATOM 0 HE ARG A 85 1.844 -5.567 -10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.279 -5.484 -13.513 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.086 -4.331 -14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.371 -4.063 -11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.456 -3.534 -12.742 1.00 0.00 H new ATOM 1364 N VAL A 86 4.319 -2.844 -7.365 1.00 0.00 N ATOM 1365 CA VAL A 86 3.875 -2.271 -6.088 1.00 0.00 C ATOM 1366 C VAL A 86 2.486 -2.823 -5.729 1.00 0.00 C ATOM 1367 O VAL A 86 1.505 -2.567 -6.432 1.00 0.00 O ATOM 1368 CB VAL A 86 3.813 -0.700 -6.102 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.443 -0.177 -4.696 1.00 0.00 C ATOM 1370 CG2 VAL A 86 5.131 -0.072 -6.618 1.00 0.00 C ATOM 0 H VAL A 86 3.665 -2.688 -8.132 1.00 0.00 H new ATOM 0 HA VAL A 86 4.616 -2.560 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 86 3.035 -0.395 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.402 0.912 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.470 -0.573 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.196 -0.501 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.044 1.014 -6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.955 -0.374 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.323 -0.414 -7.635 1.00 0.00 H new ATOM 1380 N LEU A 87 2.433 -3.598 -4.645 1.00 0.00 N ATOM 1381 CA LEU A 87 1.183 -4.126 -4.084 1.00 0.00 C ATOM 1382 C LEU A 87 0.643 -3.125 -3.052 1.00 0.00 C ATOM 1383 O LEU A 87 1.412 -2.500 -2.318 1.00 0.00 O ATOM 1384 CB LEU A 87 1.407 -5.534 -3.442 1.00 0.00 C ATOM 1385 CG LEU A 87 2.196 -6.591 -4.295 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.761 -6.587 -5.776 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.729 -6.448 -4.142 1.00 0.00 C ATOM 0 H LEU A 87 3.263 -3.881 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 87 0.451 -4.252 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.937 -5.396 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.431 -5.955 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 87 1.933 -7.568 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.334 -7.334 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.699 -6.822 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.943 -5.602 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.227 -7.202 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.036 -5.455 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.005 -6.587 -3.097 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.681 -2.941 -3.028 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.351 -2.016 -2.094 1.00 0.00 C ATOM 1401 C ASN A 88 -1.987 -2.840 -0.974 1.00 0.00 C ATOM 1402 O ASN A 88 -2.520 -3.918 -1.247 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.438 -1.172 -2.830 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.909 -0.120 -3.832 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.785 -0.377 -4.501 1.00 0.00 O flip ATOM 1406 ND2 ASN A 88 -2.523 0.932 -4.019 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.323 -3.427 -3.654 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.620 -1.322 -1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.100 -1.854 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.043 -0.661 -2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.382 1.120 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.172 1.615 -4.690 1.00 0.00 H new ATOM 1413 N ILE A 89 -1.981 -2.322 0.269 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.537 -3.064 1.430 1.00 0.00 C ATOM 1415 C ILE A 89 -4.065 -2.966 1.388 1.00 0.00 C ATOM 1416 O ILE A 89 -4.607 -1.866 1.220 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.017 -2.517 2.819 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.474 -2.686 2.937 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -2.744 -3.193 4.024 1.00 0.00 C ATOM 1420 CD1 ILE A 89 0.112 -2.237 4.272 1.00 0.00 C ATOM 0 H ILE A 89 -1.603 -1.403 0.500 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.202 -4.098 1.351 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.253 -1.453 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.223 -3.735 2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.003 -2.120 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.355 -2.787 4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.814 -2.996 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.571 -4.269 3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.191 -2.391 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.103 -1.180 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.333 -2.820 5.079 1.00 0.00 H new ATOM 1432 N ILE A 90 -4.749 -4.109 1.520 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.219 -4.160 1.562 1.00 0.00 C ATOM 1434 C ILE A 90 -6.695 -4.349 3.019 1.00 0.00 C ATOM 1435 O ILE A 90 -6.210 -5.235 3.741 1.00 0.00 O ATOM 1436 CB ILE A 90 -6.809 -5.269 0.604 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.165 -6.671 0.878 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.623 -4.844 -0.876 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.812 -7.832 0.139 1.00 0.00 C ATOM 0 H ILE A 90 -4.303 -5.023 1.601 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.601 -3.209 1.191 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.875 -5.365 0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.111 -6.629 0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.210 -6.871 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.032 -5.614 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.144 -3.903 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.561 -4.716 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.296 -8.758 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.860 -7.909 0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.744 -7.663 -0.936 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.617 -3.466 3.441 1.00 0.00 N ATOM 1452 CA GLY A 91 -8.134 -3.447 4.808 1.00 0.00 C ATOM 1453 C GLY A 91 -7.156 -2.792 5.778 1.00 0.00 C ATOM 1454 O GLY A 91 -7.122 -1.564 5.910 1.00 0.00 O ATOM 0 H GLY A 91 -8.021 -2.748 2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.082 -2.909 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.339 -4.467 5.133 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.321 -3.621 6.406 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.323 -3.199 7.402 1.00 0.00 C ATOM 1460 C GLN A 92 -4.266 -4.311 7.551 1.00 0.00 C ATOM 1461 O GLN A 92 -4.567 -5.465 7.239 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.003 -2.913 8.779 1.00 0.00 C ATOM 1463 CG GLN A 92 -6.689 -4.138 9.429 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.258 -3.868 10.830 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -7.661 -2.747 11.146 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -7.303 -4.896 11.673 1.00 0.00 N ATOM 0 H GLN A 92 -6.316 -4.627 6.236 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.846 -2.278 7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.251 -2.528 9.467 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.746 -2.126 8.646 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.497 -4.476 8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.968 -4.953 9.492 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.961 -5.811 11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.679 -4.769 12.612 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.012 -4.001 8.015 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.035 -5.046 8.378 1.00 0.00 C ATOM 1477 C PRO A 93 -2.495 -5.790 9.655 1.00 0.00 C ATOM 1478 O PRO A 93 -2.523 -5.212 10.751 1.00 0.00 O ATOM 1479 CB PRO A 93 -0.720 -4.253 8.584 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.164 -2.879 8.963 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.446 -2.636 8.198 1.00 0.00 C ATOM 0 HA PRO A 93 -1.918 -5.827 7.626 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.105 -4.701 9.365 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.119 -4.239 7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.329 -2.804 10.038 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.408 -2.138 8.704 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.127 -1.991 8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.255 -2.150 7.241 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.896 -7.054 9.474 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.482 -7.902 10.533 1.00 0.00 C ATOM 1491 C LEU A 94 -2.336 -8.478 11.410 1.00 0.00 C ATOM 1492 O LEU A 94 -1.541 -9.278 10.918 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.347 -9.042 9.863 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.264 -9.957 10.771 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.484 -11.079 11.495 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.096 -9.116 11.765 1.00 0.00 C ATOM 0 H LEU A 94 -2.824 -7.529 8.574 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.140 -7.321 11.179 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.990 -8.571 9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.663 -9.697 9.324 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.953 -10.459 10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.173 -11.669 12.100 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.006 -11.724 10.758 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.723 -10.637 12.138 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.714 -9.777 12.373 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.426 -8.549 12.412 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.735 -8.427 11.213 1.00 0.00 H new ATOM 1508 N PRO A 95 -2.220 -8.085 12.719 1.00 0.00 N ATOM 1509 CA PRO A 95 -1.195 -8.648 13.627 1.00 0.00 C ATOM 1510 C PRO A 95 -1.553 -10.082 14.071 1.00 0.00 C ATOM 1511 O PRO A 95 -2.731 -10.404 14.258 1.00 0.00 O ATOM 1512 CB PRO A 95 -1.195 -7.675 14.822 1.00 0.00 C ATOM 1513 CG PRO A 95 -2.583 -7.104 14.853 1.00 0.00 C ATOM 1514 CD PRO A 95 -3.063 -7.071 13.411 1.00 0.00 C ATOM 0 HA PRO A 95 -0.218 -8.735 13.151 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.959 -8.192 15.752 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.448 -6.892 14.694 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.242 -7.717 15.468 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.582 -6.104 15.286 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.122 -7.318 13.339 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.936 -6.081 12.972 1.00 0.00 H new ATOM 1522 N ASP A 96 -0.524 -10.925 14.226 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.678 -12.319 14.678 1.00 0.00 C ATOM 1524 C ASP A 96 -1.306 -12.407 16.088 1.00 0.00 C ATOM 1525 O ASP A 96 -1.094 -11.523 16.923 1.00 0.00 O ATOM 1526 CB ASP A 96 0.714 -12.991 14.671 1.00 0.00 C ATOM 1527 CG ASP A 96 0.748 -14.473 15.093 1.00 0.00 C ATOM 1528 OD1 ASP A 96 -0.218 -15.215 14.822 1.00 0.00 O ATOM 1529 OD2 ASP A 96 1.761 -14.895 15.673 1.00 0.00 O ATOM 0 H ASP A 96 0.444 -10.661 14.041 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.356 -12.834 13.998 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.130 -12.910 13.667 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.371 -12.429 15.335 1.00 0.00 H new ATOM 1534 N ALA A 97 -2.048 -13.504 16.325 1.00 0.00 N ATOM 1535 CA ALA A 97 -2.683 -13.808 17.624 1.00 0.00 C ATOM 1536 C ALA A 97 -1.626 -14.174 18.682 1.00 0.00 C ATOM 1537 O ALA A 97 -1.836 -13.975 19.878 1.00 0.00 O ATOM 1538 CB ALA A 97 -3.699 -14.950 17.459 1.00 0.00 C ATOM 0 H ALA A 97 -2.227 -14.213 15.614 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.207 -12.916 17.968 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.162 -15.167 18.422 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.468 -14.653 16.745 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.189 -15.841 17.093 1.00 0.00 H new ATOM 1544 N ALA A 98 -0.497 -14.737 18.218 1.00 0.00 N ATOM 1545 CA ALA A 98 0.669 -15.054 19.070 1.00 0.00 C ATOM 1546 C ALA A 98 1.714 -13.914 19.042 1.00 0.00 C ATOM 1547 O ALA A 98 2.711 -13.975 19.768 1.00 0.00 O ATOM 1548 CB ALA A 98 1.299 -16.394 18.633 1.00 0.00 C ATOM 0 H ALA A 98 -0.364 -14.987 17.238 1.00 0.00 H new ATOM 0 HA ALA A 98 0.323 -15.152 20.099 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.157 -16.617 19.268 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.561 -17.191 18.727 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.625 -16.322 17.595 1.00 0.00 H new ATOM 1554 N ARG A 99 1.470 -12.884 18.179 1.00 0.00 N ATOM 1555 CA ARG A 99 2.349 -11.694 18.004 1.00 0.00 C ATOM 1556 C ARG A 99 3.780 -12.051 17.506 1.00 0.00 C ATOM 1557 O ARG A 99 4.684 -11.219 17.604 1.00 0.00 O ATOM 1558 CB ARG A 99 2.407 -10.805 19.298 1.00 0.00 C ATOM 1559 CG ARG A 99 1.166 -9.902 19.561 1.00 0.00 C ATOM 1560 CD ARG A 99 -0.110 -10.669 19.942 1.00 0.00 C ATOM 1561 NE ARG A 99 -1.240 -9.756 20.189 1.00 0.00 N ATOM 1562 CZ ARG A 99 -2.482 -10.120 20.539 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.807 -11.396 20.721 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -3.399 -9.188 20.719 1.00 0.00 N ATOM 0 H ARG A 99 0.646 -12.860 17.579 1.00 0.00 H new ATOM 0 HA ARG A 99 1.883 -11.106 17.213 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.544 -11.459 20.159 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.289 -10.168 19.238 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.406 -9.201 20.360 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.966 -9.311 18.667 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.370 -11.363 19.142 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.077 -11.267 20.834 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.061 -8.757 20.084 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.104 -12.124 20.595 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.759 -11.647 20.987 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.159 -8.205 20.592 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.348 -9.451 20.985 1.00 0.00 H new ATOM 1578 N THR A 100 3.976 -13.255 16.928 1.00 0.00 N ATOM 1579 CA THR A 100 5.297 -13.673 16.394 1.00 0.00 C ATOM 1580 C THR A 100 5.544 -13.086 14.986 1.00 0.00 C ATOM 1581 O THR A 100 6.661 -13.161 14.462 1.00 0.00 O ATOM 1582 CB THR A 100 5.445 -15.234 16.343 1.00 0.00 C ATOM 1583 OG1 THR A 100 4.544 -15.791 15.368 1.00 0.00 O ATOM 1584 CG2 THR A 100 5.164 -15.877 17.712 1.00 0.00 C ATOM 0 H THR A 100 3.242 -13.955 16.818 1.00 0.00 H new ATOM 0 HA THR A 100 6.046 -13.280 17.082 1.00 0.00 H new ATOM 0 HB THR A 100 6.476 -15.451 16.063 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.638 -15.453 15.529 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.277 -16.959 17.636 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.869 -15.490 18.448 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.147 -15.639 18.024 1.00 0.00 H new ATOM 1592 N ARG A 101 4.491 -12.502 14.385 1.00 0.00 N ATOM 1593 CA ARG A 101 4.538 -11.982 13.010 1.00 0.00 C ATOM 1594 C ARG A 101 3.478 -10.880 12.803 1.00 0.00 C ATOM 1595 O ARG A 101 2.721 -10.531 13.723 1.00 0.00 O ATOM 1596 CB ARG A 101 4.306 -13.141 11.996 1.00 0.00 C ATOM 1597 CG ARG A 101 2.879 -13.717 12.053 1.00 0.00 C ATOM 1598 CD ARG A 101 2.661 -14.946 11.187 1.00 0.00 C ATOM 1599 NE ARG A 101 3.510 -16.075 11.624 1.00 0.00 N ATOM 1600 CZ ARG A 101 3.067 -17.234 12.143 1.00 0.00 C ATOM 1601 NH1 ARG A 101 1.774 -17.449 12.340 1.00 0.00 N ATOM 1602 NH2 ARG A 101 3.943 -18.162 12.489 1.00 0.00 N ATOM 0 H ARG A 101 3.586 -12.378 14.840 1.00 0.00 H new ATOM 0 HA ARG A 101 5.523 -11.547 12.840 1.00 0.00 H new ATOM 0 HB2 ARG A 101 4.505 -12.779 10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.022 -13.939 12.195 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.644 -13.970 13.087 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.176 -12.943 11.747 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.612 -15.241 11.229 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.883 -14.704 10.148 1.00 0.00 H new ATOM 0 HE ARG A 101 4.519 -15.965 11.523 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.094 -16.728 12.097 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.459 -18.335 12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.941 -17.994 12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.621 -19.046 12.884 1.00 0.00 H new ATOM 1616 N LEU A 102 3.440 -10.365 11.574 1.00 0.00 N ATOM 1617 CA LEU A 102 2.471 -9.373 11.109 1.00 0.00 C ATOM 1618 C LEU A 102 2.034 -9.810 9.689 1.00 0.00 C ATOM 1619 O LEU A 102 2.856 -9.828 8.765 1.00 0.00 O ATOM 1620 CB LEU A 102 3.122 -7.932 11.112 1.00 0.00 C ATOM 1621 CG LEU A 102 2.211 -6.708 11.488 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.845 -6.759 10.787 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.060 -6.572 13.014 1.00 0.00 C ATOM 0 H LEU A 102 4.106 -10.636 10.850 1.00 0.00 H new ATOM 0 HA LEU A 102 1.602 -9.319 11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.962 -7.947 11.806 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.532 -7.750 10.119 1.00 0.00 H new ATOM 0 HG LEU A 102 2.715 -5.813 11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.253 -5.892 11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.990 -6.752 9.707 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.321 -7.670 11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.424 -5.716 13.242 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.607 -7.478 13.417 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.041 -6.425 13.465 1.00 0.00 H new ATOM 1635 N GLU A 103 0.758 -10.221 9.556 1.00 0.00 N ATOM 1636 CA GLU A 103 0.141 -10.553 8.261 1.00 0.00 C ATOM 1637 C GLU A 103 -0.133 -9.251 7.500 1.00 0.00 C ATOM 1638 O GLU A 103 -1.108 -8.540 7.798 1.00 0.00 O ATOM 1639 CB GLU A 103 -1.194 -11.344 8.466 1.00 0.00 C ATOM 1640 CG GLU A 103 -2.000 -11.652 7.180 1.00 0.00 C ATOM 1641 CD GLU A 103 -1.310 -12.659 6.242 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -1.401 -13.875 6.518 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -0.686 -12.255 5.235 1.00 0.00 O ATOM 0 H GLU A 103 0.125 -10.332 10.348 1.00 0.00 H new ATOM 0 HA GLU A 103 0.821 -11.185 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.963 -12.287 8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.831 -10.775 9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.979 -12.042 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.171 -10.722 6.638 1.00 0.00 H new ATOM 1650 N ILE A 104 0.765 -8.889 6.588 1.00 0.00 N ATOM 1651 CA ILE A 104 0.543 -7.774 5.668 1.00 0.00 C ATOM 1652 C ILE A 104 -0.243 -8.308 4.460 1.00 0.00 C ATOM 1653 O ILE A 104 0.346 -8.770 3.470 1.00 0.00 O ATOM 1654 CB ILE A 104 1.891 -7.106 5.187 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.871 -6.874 6.380 1.00 0.00 C ATOM 1656 CG2 ILE A 104 1.617 -5.791 4.420 1.00 0.00 C ATOM 1657 CD1 ILE A 104 2.331 -6.008 7.490 1.00 0.00 C ATOM 0 H ILE A 104 1.663 -9.357 6.465 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.016 -6.997 6.190 1.00 0.00 H new ATOM 0 HB ILE A 104 2.375 -7.798 4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.147 -7.842 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.785 -6.419 5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.562 -5.352 4.101 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.001 -6.001 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.095 -5.091 5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.084 -5.906 8.271 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.082 -5.023 7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.435 -6.468 7.907 1.00 0.00 H new ATOM 1669 N LEU A 105 -1.578 -8.317 4.578 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.445 -8.710 3.462 1.00 0.00 C ATOM 1671 C LEU A 105 -2.550 -7.518 2.504 1.00 0.00 C ATOM 1672 O LEU A 105 -2.731 -6.367 2.916 1.00 0.00 O ATOM 1673 CB LEU A 105 -3.858 -9.215 3.897 1.00 0.00 C ATOM 1674 CG LEU A 105 -4.726 -8.260 4.782 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.234 -8.540 4.599 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.330 -8.367 6.267 1.00 0.00 C ATOM 0 H LEU A 105 -2.077 -8.058 5.429 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.991 -9.569 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.425 -9.446 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.728 -10.151 4.440 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.531 -7.240 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.809 -7.860 5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.508 -8.389 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.450 -9.569 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.949 -7.693 6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.479 -9.391 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.281 -8.093 6.385 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.440 -7.835 1.233 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.356 -6.873 0.141 1.00 0.00 C ATOM 1690 C CYS A 106 -3.056 -7.491 -1.060 1.00 0.00 C ATOM 1691 O CYS A 106 -3.452 -8.649 -1.027 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.875 -6.514 -0.182 1.00 0.00 C ATOM 1693 SG CYS A 106 0.037 -5.865 1.234 1.00 0.00 S ATOM 0 H CYS A 106 -2.405 -8.803 0.913 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.841 -5.937 0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.367 -7.404 -0.554 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.855 -5.777 -0.985 1.00 0.00 H new ATOM 0 HG CYS A 106 0.954 -5.042 0.819 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.259 -6.699 -2.083 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.774 -7.164 -3.375 1.00 0.00 C ATOM 1701 C ARG A 107 -3.033 -6.370 -4.442 1.00 0.00 C ATOM 1702 O ARG A 107 -2.666 -5.210 -4.182 1.00 0.00 O ATOM 1703 CB ARG A 107 -5.317 -6.967 -3.430 1.00 0.00 C ATOM 1704 CG ARG A 107 -6.044 -7.618 -4.628 1.00 0.00 C ATOM 1705 CD ARG A 107 -7.576 -7.630 -4.439 1.00 0.00 C ATOM 1706 NE ARG A 107 -8.128 -6.271 -4.259 1.00 0.00 N ATOM 1707 CZ ARG A 107 -9.070 -5.910 -3.367 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -9.611 -6.796 -2.536 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -9.448 -4.643 -3.307 1.00 0.00 N ATOM 0 H ARG A 107 -3.073 -5.697 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.605 -8.229 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.747 -7.365 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.526 -5.897 -3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.796 -7.076 -5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.687 -8.640 -4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.043 -8.098 -5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.828 -8.240 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.761 -5.538 -4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.314 -7.771 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.323 -6.500 -1.868 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.027 -3.955 -3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.160 -4.355 -2.636 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.739 -7.030 -5.596 1.00 0.00 N ATOM 1724 CA GLU A 108 -1.972 -6.441 -6.716 1.00 0.00 C ATOM 1725 C GLU A 108 -2.403 -4.977 -6.974 1.00 0.00 C ATOM 1726 O GLU A 108 -3.573 -4.699 -7.291 1.00 0.00 O ATOM 1727 CB GLU A 108 -2.111 -7.333 -7.996 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.903 -7.303 -8.969 1.00 0.00 C ATOM 1729 CD GLU A 108 -0.573 -5.898 -9.493 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -1.275 -5.420 -10.410 1.00 0.00 O ATOM 1731 OE2 GLU A 108 0.357 -5.250 -8.961 1.00 0.00 O ATOM 0 H GLU A 108 -3.032 -7.991 -5.771 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.916 -6.415 -6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.276 -8.364 -7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.001 -7.019 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.028 -7.708 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.112 -7.958 -9.815 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.426 -4.061 -6.822 1.00 0.00 N ATOM 1739 CA GLY A 109 -1.686 -2.636 -6.714 1.00 0.00 C ATOM 1740 C GLY A 109 -1.681 -1.931 -8.057 1.00 0.00 C ATOM 1741 O GLY A 109 -0.988 -0.919 -8.238 1.00 0.00 O ATOM 0 H GLY A 109 -0.436 -4.303 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.652 -2.484 -6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.934 -2.183 -6.069 1.00 0.00 H new