USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 CYS SG : rot 149:sc= 0.351 USER MOD Set 1.2: A 83 THR OG1 : rot 136:sc= 1.15 USER MOD Single : A 17 GLN : amide:sc= 0.823 K(o=0.82,f=-0.00048) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.5) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.973 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 44 THR OG1 : rot 25:sc= 1.04 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 55 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-3.1!) USER MOD Single : A 57 ASN : amide:sc= -5.78! C(o=-5.8!,f=-7.9!) USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= 0.404 (180deg=0.341) USER MOD Single : A 65 GLN : amide:sc= -0.0303 K(o=-0.03,f=-1.4!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.12) USER MOD Single : A 90 SER OG : rot 19:sc= 1.25 USER MOD Single : A 93 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.1) USER MOD Single : A 95 CYS SG : rot -140:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -168:sc= 0 (180deg=-0.0807) USER MOD Single : A 113 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.2!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 4:sc= 0.434 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.577 6.700 9.364 1.00 0.00 N ATOM 67 CA LEU A 8 -0.995 5.387 8.885 1.00 0.00 C ATOM 68 C LEU A 8 -2.168 5.509 7.917 1.00 0.00 C ATOM 69 O LEU A 8 -2.919 6.483 7.955 1.00 0.00 O ATOM 70 CB LEU A 8 -1.383 4.493 10.064 1.00 0.00 C ATOM 71 CG LEU A 8 -1.727 3.043 9.721 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.461 2.212 9.582 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.644 2.447 10.780 1.00 0.00 C ATOM 0 HA LEU A 8 -0.156 4.936 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.560 4.491 10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.241 4.940 10.566 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.252 3.031 8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.726 1.183 9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.160 2.625 8.787 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.092 2.231 10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.878 1.415 10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.145 2.472 11.749 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.566 3.026 10.831 1.00 0.00 H new ATOM 85 N VAL A 9 -2.319 4.512 7.051 1.00 0.00 N ATOM 86 CA VAL A 9 -3.402 4.506 6.075 1.00 0.00 C ATOM 87 C VAL A 9 -4.375 3.363 6.341 1.00 0.00 C ATOM 88 O VAL A 9 -5.571 3.585 6.534 1.00 0.00 O ATOM 89 CB VAL A 9 -2.862 4.381 4.638 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.997 4.473 3.630 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.812 5.449 4.369 1.00 0.00 C ATOM 0 H VAL A 9 -1.705 3.699 7.005 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.925 5.457 6.177 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.391 3.404 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.595 4.383 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.710 3.668 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.500 5.434 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.441 5.346 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.256 6.436 4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.985 5.331 5.069 1.00 0.00 H new ATOM 101 N ARG A 10 -3.855 2.140 6.350 1.00 0.00 N ATOM 102 CA ARG A 10 -4.678 0.962 6.592 1.00 0.00 C ATOM 103 C ARG A 10 -3.867 -0.137 7.273 1.00 0.00 C ATOM 104 O ARG A 10 -2.649 -0.212 7.115 1.00 0.00 O ATOM 105 CB ARG A 10 -5.260 0.441 5.277 1.00 0.00 C ATOM 106 CG ARG A 10 -6.451 -0.485 5.462 1.00 0.00 C ATOM 107 CD ARG A 10 -6.900 -1.087 4.140 1.00 0.00 C ATOM 108 NE ARG A 10 -8.300 -1.501 4.174 1.00 0.00 N ATOM 109 CZ ARG A 10 -8.731 -2.583 4.813 1.00 0.00 C ATOM 110 NH1 ARG A 10 -7.875 -3.356 5.467 1.00 0.00 N ATOM 111 NH2 ARG A 10 -10.021 -2.894 4.798 1.00 0.00 N ATOM 0 H ARG A 10 -2.867 1.939 6.192 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.495 1.250 7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.562 1.289 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.481 -0.089 4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.188 -1.283 6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.277 0.068 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.757 -0.358 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.274 -1.947 3.902 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.984 -0.928 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.883 -3.121 5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.209 -4.186 5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.682 -2.302 4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.351 -3.725 5.289 1.00 0.00 H new ATOM 125 N GLY A 11 -4.552 -0.989 8.031 1.00 0.00 N ATOM 126 CA GLY A 11 -3.880 -2.072 8.724 1.00 0.00 C ATOM 127 C GLY A 11 -4.752 -3.304 8.859 1.00 0.00 C ATOM 128 O GLY A 11 -5.467 -3.462 9.848 1.00 0.00 O ATOM 0 H GLY A 11 -5.561 -0.948 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.969 -2.333 8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.579 -1.733 9.715 1.00 0.00 H new ATOM 132 N GLY A 12 -4.695 -4.180 7.861 1.00 0.00 N ATOM 133 CA GLY A 12 -5.492 -5.392 7.891 1.00 0.00 C ATOM 134 C GLY A 12 -4.660 -6.639 7.668 1.00 0.00 C ATOM 135 O GLY A 12 -3.653 -6.603 6.961 1.00 0.00 O ATOM 0 H GLY A 12 -4.111 -4.072 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.000 -5.465 8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.266 -5.333 7.125 1.00 0.00 H new ATOM 139 N TRP A 13 -5.079 -7.744 8.274 1.00 0.00 N ATOM 140 CA TRP A 13 -4.364 -9.008 8.139 1.00 0.00 C ATOM 141 C TRP A 13 -4.528 -9.580 6.735 1.00 0.00 C ATOM 142 O TRP A 13 -5.531 -9.329 6.066 1.00 0.00 O ATOM 143 CB TRP A 13 -4.866 -10.015 9.175 1.00 0.00 C ATOM 144 CG TRP A 13 -4.563 -9.615 10.588 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.159 -8.615 11.302 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.589 -10.205 11.455 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.614 -8.548 12.562 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.649 -9.513 12.681 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.673 -11.251 11.317 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.828 -9.835 13.758 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.858 -11.569 12.387 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.940 -10.864 13.595 1.00 0.00 C ATOM 0 H TRP A 13 -5.910 -7.790 8.864 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.305 -8.817 8.312 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -5.943 -10.135 9.062 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.414 -10.987 8.975 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.943 -7.972 10.931 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.884 -7.887 13.290 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.603 -11.801 10.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.889 -9.292 14.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.146 -12.375 12.290 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.290 -11.138 14.413 1.00 0.00 H new ATOM 163 N LEU A 14 -3.538 -10.349 6.295 1.00 0.00 N ATOM 164 CA LEU A 14 -3.574 -10.957 4.969 1.00 0.00 C ATOM 165 C LEU A 14 -2.742 -12.235 4.934 1.00 0.00 C ATOM 166 O LEU A 14 -1.639 -12.284 5.478 1.00 0.00 O ATOM 167 CB LEU A 14 -3.059 -9.970 3.920 1.00 0.00 C ATOM 168 CG LEU A 14 -3.942 -8.750 3.656 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.173 -7.694 2.878 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.202 -9.156 2.905 1.00 0.00 C ATOM 0 H LEU A 14 -2.701 -10.566 6.836 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.609 -11.213 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.075 -9.621 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.924 -10.506 2.981 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.236 -8.324 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.817 -6.833 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.301 -7.382 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.849 -8.109 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.819 -8.275 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.928 -9.607 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.763 -9.877 3.499 1.00 0.00 H new ATOM 182 N TRP A 15 -3.277 -13.265 4.289 1.00 0.00 N ATOM 183 CA TRP A 15 -2.583 -14.543 4.181 1.00 0.00 C ATOM 184 C TRP A 15 -1.493 -14.482 3.116 1.00 0.00 C ATOM 185 O TRP A 15 -1.770 -14.209 1.947 1.00 0.00 O ATOM 186 CB TRP A 15 -3.575 -15.660 3.850 1.00 0.00 C ATOM 187 CG TRP A 15 -4.569 -15.913 4.942 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.852 -15.451 5.006 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.360 -16.689 6.128 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.454 -15.892 6.160 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.560 -16.654 6.865 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.278 -17.410 6.638 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.704 -17.311 8.084 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.422 -18.063 7.847 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.628 -18.011 8.559 1.00 0.00 C ATOM 0 H TRP A 15 -4.189 -13.240 3.833 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.115 -14.756 5.142 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.109 -15.403 2.935 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.024 -16.579 3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.325 -14.830 4.259 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.411 -15.685 6.445 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.345 -17.456 6.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.632 -17.270 8.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.591 -18.623 8.250 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.710 -18.533 9.501 1.00 0.00 H new ATOM 206 N ARG A 16 -0.255 -14.738 3.526 1.00 0.00 N ATOM 207 CA ARG A 16 0.875 -14.711 2.606 1.00 0.00 C ATOM 208 C ARG A 16 1.434 -16.114 2.390 1.00 0.00 C ATOM 209 O ARG A 16 1.551 -16.897 3.332 1.00 0.00 O ATOM 210 CB ARG A 16 1.973 -13.790 3.141 1.00 0.00 C ATOM 211 CG ARG A 16 3.267 -13.860 2.347 1.00 0.00 C ATOM 212 CD ARG A 16 4.185 -12.691 2.673 1.00 0.00 C ATOM 213 NE ARG A 16 4.907 -12.896 3.925 1.00 0.00 N ATOM 214 CZ ARG A 16 5.810 -13.853 4.105 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.100 -14.689 3.118 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.426 -13.975 5.274 1.00 0.00 N ATOM 0 H ARG A 16 -0.009 -14.966 4.489 1.00 0.00 H new ATOM 0 HA ARG A 16 0.523 -14.328 1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.608 -12.763 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.179 -14.050 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.779 -14.798 2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.041 -13.860 1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.899 -12.553 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.597 -11.776 2.739 1.00 0.00 H new ATOM 0 HE ARG A 16 4.707 -12.270 4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.629 -14.598 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.794 -15.423 3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.206 -13.333 6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.119 -14.711 5.411 1.00 0.00 H new ATOM 230 N GLN A 17 1.776 -16.424 1.144 1.00 0.00 N ATOM 231 CA GLN A 17 2.321 -17.733 0.804 1.00 0.00 C ATOM 232 C GLN A 17 3.846 -17.712 0.833 1.00 0.00 C ATOM 233 O GLN A 17 4.475 -16.813 0.274 1.00 0.00 O ATOM 234 CB GLN A 17 1.831 -18.171 -0.577 1.00 0.00 C ATOM 235 CG GLN A 17 1.781 -19.679 -0.755 1.00 0.00 C ATOM 236 CD GLN A 17 1.255 -20.089 -2.116 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.019 -20.237 -3.071 1.00 0.00 O ATOM 238 NE2 GLN A 17 -0.056 -20.276 -2.213 1.00 0.00 N ATOM 0 H GLN A 17 1.685 -15.787 0.353 1.00 0.00 H new ATOM 0 HA GLN A 17 1.971 -18.448 1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.836 -17.760 -0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.486 -17.745 -1.337 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.781 -20.091 -0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.149 -20.112 0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.652 -20.142 -1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.467 -20.553 -3.104 1.00 0.00 H new ATOM 331 N ARG A 23 3.102 -22.627 2.479 1.00 0.00 N ATOM 332 CA ARG A 23 1.853 -22.570 3.229 1.00 0.00 C ATOM 333 C ARG A 23 1.448 -21.125 3.503 1.00 0.00 C ATOM 334 O ARG A 23 2.299 -20.241 3.608 1.00 0.00 O ATOM 335 CB ARG A 23 1.992 -23.331 4.549 1.00 0.00 C ATOM 336 CG ARG A 23 0.683 -23.477 5.308 1.00 0.00 C ATOM 337 CD ARG A 23 0.923 -23.720 6.790 1.00 0.00 C ATOM 338 NE ARG A 23 -0.282 -24.190 7.469 1.00 0.00 N ATOM 339 CZ ARG A 23 -0.428 -24.190 8.790 1.00 0.00 C ATOM 340 NH1 ARG A 23 0.549 -23.746 9.568 1.00 0.00 N ATOM 341 NH2 ARG A 23 -1.554 -24.634 9.333 1.00 0.00 N ATOM 0 HA ARG A 23 1.075 -23.039 2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.397 -24.322 4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.714 -22.815 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.083 -22.576 5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.109 -24.305 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.719 -24.455 6.913 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.266 -22.797 7.258 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.053 -24.537 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.415 -23.403 9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.434 -23.747 10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.308 -24.975 8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.666 -24.634 10.347 1.00 0.00 H new ATOM 355 N TRP A 24 0.146 -20.893 3.617 1.00 0.00 N ATOM 356 CA TRP A 24 -0.372 -19.554 3.878 1.00 0.00 C ATOM 357 C TRP A 24 -0.217 -19.188 5.349 1.00 0.00 C ATOM 358 O TRP A 24 -0.555 -19.974 6.234 1.00 0.00 O ATOM 359 CB TRP A 24 -1.843 -19.466 3.470 1.00 0.00 C ATOM 360 CG TRP A 24 -2.059 -19.599 1.993 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.255 -20.756 1.295 1.00 0.00 C ATOM 362 CD2 TRP A 24 -2.099 -18.538 1.033 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.415 -20.478 -0.042 1.00 0.00 N ATOM 364 CE2 TRP A 24 -2.324 -19.124 -0.228 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.969 -17.149 1.116 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.420 -18.369 -1.394 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -2.064 -16.400 -0.042 1.00 0.00 C ATOM 368 CH2 TRP A 24 -2.288 -17.011 -1.283 1.00 0.00 C ATOM 0 H TRP A 24 -0.571 -21.614 3.533 1.00 0.00 H new ATOM 0 HA TRP A 24 0.206 -18.846 3.284 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.402 -20.248 3.984 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.249 -18.511 3.805 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.281 -21.744 1.729 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.575 -21.168 -0.776 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.797 -16.669 2.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.592 -18.838 -2.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.964 -15.326 0.011 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.358 -16.398 -2.170 1.00 0.00 H new ATOM 379 N LYS A 25 0.297 -17.990 5.606 1.00 0.00 N ATOM 380 CA LYS A 25 0.497 -17.518 6.971 1.00 0.00 C ATOM 381 C LYS A 25 -0.115 -16.134 7.163 1.00 0.00 C ATOM 382 O LYS A 25 -0.111 -15.311 6.247 1.00 0.00 O ATOM 383 CB LYS A 25 1.989 -17.478 7.306 1.00 0.00 C ATOM 384 CG LYS A 25 2.744 -16.371 6.591 1.00 0.00 C ATOM 385 CD LYS A 25 4.166 -16.240 7.111 1.00 0.00 C ATOM 386 CE LYS A 25 5.046 -17.379 6.619 1.00 0.00 C ATOM 387 NZ LYS A 25 6.196 -17.625 7.533 1.00 0.00 N ATOM 0 H LYS A 25 0.583 -17.327 4.885 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.002 -18.214 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.108 -17.351 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.437 -18.437 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.764 -16.576 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.218 -15.426 6.725 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.587 -15.288 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.157 -16.231 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.450 -18.287 6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.418 -17.146 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.772 -18.408 7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.779 -16.766 7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.841 -17.873 8.479 1.00 0.00 H new ATOM 401 N ARG A 26 -0.639 -15.884 8.358 1.00 0.00 N ATOM 402 CA ARG A 26 -1.254 -14.599 8.670 1.00 0.00 C ATOM 403 C ARG A 26 -0.191 -13.523 8.871 1.00 0.00 C ATOM 404 O ARG A 26 0.852 -13.771 9.475 1.00 0.00 O ATOM 405 CB ARG A 26 -2.121 -14.716 9.924 1.00 0.00 C ATOM 406 CG ARG A 26 -3.571 -15.066 9.632 1.00 0.00 C ATOM 407 CD ARG A 26 -4.313 -15.468 10.897 1.00 0.00 C ATOM 408 NE ARG A 26 -3.779 -16.697 11.477 1.00 0.00 N ATOM 409 CZ ARG A 26 -2.796 -16.721 12.370 1.00 0.00 C ATOM 410 NH1 ARG A 26 -2.243 -15.588 12.783 1.00 0.00 N ATOM 411 NH2 ARG A 26 -2.364 -17.879 12.853 1.00 0.00 N ATOM 0 H ARG A 26 -0.650 -16.554 9.127 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.883 -14.311 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.697 -15.477 10.579 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.086 -13.772 10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.068 -14.211 9.174 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.611 -15.882 8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.245 -14.663 11.628 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.370 -15.604 10.669 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.183 -17.585 11.180 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.573 -14.696 12.415 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.488 -15.609 13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.787 -18.752 12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.609 -17.896 13.539 1.00 0.00 H new ATOM 425 N ASN A 27 -0.465 -12.326 8.361 1.00 0.00 N ATOM 426 CA ASN A 27 0.468 -11.212 8.484 1.00 0.00 C ATOM 427 C ASN A 27 -0.275 -9.880 8.502 1.00 0.00 C ATOM 428 O ASN A 27 -1.220 -9.675 7.740 1.00 0.00 O ATOM 429 CB ASN A 27 1.474 -11.232 7.332 1.00 0.00 C ATOM 430 CG ASN A 27 2.691 -12.083 7.641 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.915 -13.118 7.014 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.484 -11.648 8.614 1.00 0.00 N ATOM 0 H ASN A 27 -1.325 -12.103 7.859 1.00 0.00 H new ATOM 0 HA ASN A 27 1.004 -11.322 9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.987 -11.612 6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.793 -10.213 7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.318 -12.178 8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.259 -10.784 9.107 1.00 0.00 H new ATOM 439 N TRP A 28 0.159 -8.978 9.375 1.00 0.00 N ATOM 440 CA TRP A 28 -0.465 -7.665 9.491 1.00 0.00 C ATOM 441 C TRP A 28 0.276 -6.633 8.647 1.00 0.00 C ATOM 442 O TRP A 28 1.312 -6.110 9.057 1.00 0.00 O ATOM 443 CB TRP A 28 -0.495 -7.219 10.954 1.00 0.00 C ATOM 444 CG TRP A 28 -1.042 -5.837 11.142 1.00 0.00 C ATOM 445 CD1 TRP A 28 -2.238 -5.359 10.687 1.00 0.00 C ATOM 446 CD2 TRP A 28 -0.413 -4.753 11.836 1.00 0.00 C ATOM 447 NE1 TRP A 28 -2.390 -4.044 11.055 1.00 0.00 N ATOM 448 CE2 TRP A 28 -1.285 -3.649 11.761 1.00 0.00 C ATOM 449 CE3 TRP A 28 0.800 -4.608 12.513 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -0.980 -2.420 12.338 1.00 0.00 C ATOM 451 CZ3 TRP A 28 1.102 -3.387 13.085 1.00 0.00 C ATOM 452 CH2 TRP A 28 0.215 -2.306 12.996 1.00 0.00 C ATOM 0 H TRP A 28 0.940 -9.132 10.013 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.487 -7.743 9.121 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.098 -7.922 11.528 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.516 -7.260 11.360 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.958 -5.931 10.121 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.195 -3.457 10.838 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.490 -5.436 12.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.662 -1.585 12.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.038 -3.264 13.610 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.479 -1.365 13.455 1.00 0.00 H new ATOM 463 N PHE A 29 -0.261 -6.345 7.466 1.00 0.00 N ATOM 464 CA PHE A 29 0.350 -5.376 6.564 1.00 0.00 C ATOM 465 C PHE A 29 -0.190 -3.973 6.826 1.00 0.00 C ATOM 466 O PHE A 29 -1.397 -3.778 6.967 1.00 0.00 O ATOM 467 CB PHE A 29 0.094 -5.770 5.108 1.00 0.00 C ATOM 468 CG PHE A 29 0.896 -6.957 4.658 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.533 -8.240 5.036 1.00 0.00 C ATOM 470 CD2 PHE A 29 2.015 -6.790 3.857 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.270 -9.334 4.623 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.755 -7.881 3.441 1.00 0.00 C ATOM 473 CZ PHE A 29 2.383 -9.154 3.825 1.00 0.00 C ATOM 0 H PHE A 29 -1.118 -6.769 7.111 1.00 0.00 H new ATOM 0 HA PHE A 29 1.424 -5.373 6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.966 -5.988 4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.324 -4.921 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.336 -8.387 5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.312 -5.797 3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.976 -10.329 4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.624 -7.738 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.961 -10.007 3.502 1.00 0.00 H new ATOM 483 N ALA A 30 0.713 -3.001 6.890 1.00 0.00 N ATOM 484 CA ALA A 30 0.329 -1.616 7.133 1.00 0.00 C ATOM 485 C ALA A 30 1.076 -0.667 6.202 1.00 0.00 C ATOM 486 O ALA A 30 2.299 -0.737 6.079 1.00 0.00 O ATOM 487 CB ALA A 30 0.586 -1.244 8.585 1.00 0.00 C ATOM 0 H ALA A 30 1.716 -3.147 6.777 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.737 -1.520 6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.295 -0.207 8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.002 -1.894 9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.646 -1.364 8.809 1.00 0.00 H new ATOM 493 N LEU A 31 0.333 0.219 5.547 1.00 0.00 N ATOM 494 CA LEU A 31 0.925 1.182 4.626 1.00 0.00 C ATOM 495 C LEU A 31 1.157 2.523 5.315 1.00 0.00 C ATOM 496 O LEU A 31 0.281 3.032 6.014 1.00 0.00 O ATOM 497 CB LEU A 31 0.023 1.372 3.405 1.00 0.00 C ATOM 498 CG LEU A 31 0.467 2.436 2.401 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.699 1.969 1.639 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.664 2.766 1.438 1.00 0.00 C ATOM 0 H LEU A 31 -0.681 0.290 5.637 1.00 0.00 H new ATOM 0 HA LEU A 31 1.889 0.790 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.054 0.418 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.978 1.626 3.754 1.00 0.00 H new ATOM 0 HG LEU A 31 0.725 3.341 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.001 2.739 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.512 1.784 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.467 1.050 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.330 3.525 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.954 1.866 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.520 3.143 1.998 1.00 0.00 H new ATOM 512 N TRP A 32 2.340 3.091 5.110 1.00 0.00 N ATOM 513 CA TRP A 32 2.686 4.374 5.710 1.00 0.00 C ATOM 514 C TRP A 32 2.623 5.493 4.677 1.00 0.00 C ATOM 515 O TRP A 32 2.810 5.259 3.482 1.00 0.00 O ATOM 516 CB TRP A 32 4.084 4.312 6.328 1.00 0.00 C ATOM 517 CG TRP A 32 4.222 3.254 7.381 1.00 0.00 C ATOM 518 CD1 TRP A 32 4.944 2.099 7.292 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.620 3.255 8.680 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.828 1.381 8.457 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.021 2.069 9.325 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.783 4.143 9.361 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.612 1.750 10.617 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.378 3.824 10.643 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.793 2.637 11.261 1.00 0.00 C ATOM 0 H TRP A 32 3.076 2.683 4.533 1.00 0.00 H new ATOM 0 HA TRP A 32 1.959 4.587 6.494 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.814 4.127 5.540 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.324 5.282 6.764 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.522 1.794 6.432 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.271 0.482 8.646 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.459 5.061 8.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.930 0.835 11.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.730 4.502 11.178 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.460 2.418 12.265 1.00 0.00 H new ATOM 536 N LEU A 33 2.358 6.709 5.142 1.00 0.00 N ATOM 537 CA LEU A 33 2.270 7.865 4.257 1.00 0.00 C ATOM 538 C LEU A 33 3.577 8.070 3.498 1.00 0.00 C ATOM 539 O LEU A 33 3.578 8.526 2.355 1.00 0.00 O ATOM 540 CB LEU A 33 1.930 9.122 5.060 1.00 0.00 C ATOM 541 CG LEU A 33 0.605 9.094 5.822 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.001 10.487 5.890 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.365 8.120 5.169 1.00 0.00 C ATOM 0 H LEU A 33 2.200 6.920 6.127 1.00 0.00 H new ATOM 0 HA LEU A 33 1.477 7.678 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.733 9.301 5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.916 9.972 4.378 1.00 0.00 H new ATOM 0 HG LEU A 33 0.800 8.755 6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.944 10.447 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.687 11.159 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.182 10.855 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.303 8.113 5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.554 8.429 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.067 7.119 5.173 1.00 0.00 H new ATOM 555 N ASP A 34 4.688 7.729 4.142 1.00 0.00 N ATOM 556 CA ASP A 34 6.003 7.872 3.526 1.00 0.00 C ATOM 557 C ASP A 34 6.074 7.104 2.210 1.00 0.00 C ATOM 558 O ASP A 34 6.911 7.392 1.356 1.00 0.00 O ATOM 559 CB ASP A 34 7.092 7.378 4.479 1.00 0.00 C ATOM 560 CG ASP A 34 8.424 8.062 4.241 1.00 0.00 C ATOM 561 OD1 ASP A 34 8.861 8.119 3.072 1.00 0.00 O ATOM 562 OD2 ASP A 34 9.029 8.541 5.223 1.00 0.00 O ATOM 0 H ASP A 34 4.705 7.352 5.090 1.00 0.00 H new ATOM 0 HA ASP A 34 6.166 8.929 3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.776 7.552 5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.213 6.301 4.360 1.00 0.00 H new ATOM 567 N GLY A 35 5.189 6.123 2.055 1.00 0.00 N ATOM 568 CA GLY A 35 5.169 5.328 0.841 1.00 0.00 C ATOM 569 C GLY A 35 5.895 4.007 1.002 1.00 0.00 C ATOM 570 O GLY A 35 6.592 3.557 0.092 1.00 0.00 O ATOM 0 H GLY A 35 4.486 5.865 2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.135 5.138 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.628 5.895 0.031 1.00 0.00 H new ATOM 574 N THR A 36 5.734 3.382 2.165 1.00 0.00 N ATOM 575 CA THR A 36 6.381 2.107 2.443 1.00 0.00 C ATOM 576 C THR A 36 5.374 1.075 2.938 1.00 0.00 C ATOM 577 O THR A 36 4.326 1.427 3.481 1.00 0.00 O ATOM 578 CB THR A 36 7.498 2.261 3.493 1.00 0.00 C ATOM 579 OG1 THR A 36 6.995 2.944 4.647 1.00 0.00 O ATOM 580 CG2 THR A 36 8.679 3.028 2.918 1.00 0.00 C ATOM 0 H THR A 36 5.161 3.739 2.929 1.00 0.00 H new ATOM 0 HA THR A 36 6.818 1.764 1.505 1.00 0.00 H new ATOM 0 HB THR A 36 7.837 1.265 3.780 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.711 3.036 5.310 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.455 3.124 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.078 2.490 2.058 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.352 4.020 2.606 1.00 0.00 H new ATOM 588 N LEU A 37 5.697 -0.199 2.747 1.00 0.00 N ATOM 589 CA LEU A 37 4.819 -1.283 3.175 1.00 0.00 C ATOM 590 C LEU A 37 5.534 -2.208 4.155 1.00 0.00 C ATOM 591 O LEU A 37 6.459 -2.929 3.782 1.00 0.00 O ATOM 592 CB LEU A 37 4.334 -2.081 1.964 1.00 0.00 C ATOM 593 CG LEU A 37 3.001 -2.811 2.131 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.853 -1.816 2.198 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.787 -3.799 0.993 1.00 0.00 C ATOM 0 H LEU A 37 6.560 -0.507 2.299 1.00 0.00 H new ATOM 0 HA LEU A 37 3.959 -0.843 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.249 -1.401 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.098 -2.815 1.708 1.00 0.00 H new ATOM 0 HG LEU A 37 3.028 -3.367 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.912 -2.353 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.999 -1.148 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.823 -1.232 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.833 -4.309 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.781 -3.264 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.594 -4.532 0.991 1.00 0.00 H new ATOM 607 N GLY A 38 5.098 -2.183 5.411 1.00 0.00 N ATOM 608 CA GLY A 38 5.706 -3.025 6.424 1.00 0.00 C ATOM 609 C GLY A 38 4.715 -3.985 7.052 1.00 0.00 C ATOM 610 O GLY A 38 3.615 -3.588 7.437 1.00 0.00 O ATOM 0 H GLY A 38 4.335 -1.595 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.523 -3.592 5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.141 -2.397 7.201 1.00 0.00 H new ATOM 614 N TYR A 39 5.103 -5.251 7.154 1.00 0.00 N ATOM 615 CA TYR A 39 4.239 -6.271 7.735 1.00 0.00 C ATOM 616 C TYR A 39 4.864 -6.861 8.995 1.00 0.00 C ATOM 617 O TYR A 39 6.029 -7.262 8.995 1.00 0.00 O ATOM 618 CB TYR A 39 3.969 -7.381 6.718 1.00 0.00 C ATOM 619 CG TYR A 39 5.215 -7.882 6.024 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.674 -7.281 4.858 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.934 -8.957 6.532 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.812 -7.735 4.220 1.00 0.00 C ATOM 623 CE2 TYR A 39 7.073 -9.417 5.902 1.00 0.00 C ATOM 624 CZ TYR A 39 7.508 -8.804 4.746 1.00 0.00 C ATOM 625 OH TYR A 39 8.642 -9.260 4.114 1.00 0.00 O ATOM 0 H TYR A 39 6.011 -5.596 6.842 1.00 0.00 H new ATOM 0 HA TYR A 39 3.295 -5.799 8.006 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.484 -8.216 7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.269 -7.013 5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.131 -6.444 4.443 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.596 -9.441 7.436 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.155 -7.256 3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.620 -10.253 6.312 1.00 0.00 H new ATOM 0 HH TYR A 39 9.013 -10.017 4.614 1.00 0.00 H new ATOM 635 N TYR A 40 4.082 -6.913 10.067 1.00 0.00 N ATOM 636 CA TYR A 40 4.558 -7.452 11.336 1.00 0.00 C ATOM 637 C TYR A 40 3.784 -8.710 11.717 1.00 0.00 C ATOM 638 O TYR A 40 2.854 -9.116 11.020 1.00 0.00 O ATOM 639 CB TYR A 40 4.427 -6.404 12.442 1.00 0.00 C ATOM 640 CG TYR A 40 5.113 -5.095 12.120 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.683 -4.305 11.060 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.191 -4.649 12.875 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.307 -3.109 10.762 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.819 -3.453 12.585 1.00 0.00 C ATOM 645 CZ TYR A 40 6.374 -2.687 11.528 1.00 0.00 C ATOM 646 OH TYR A 40 6.999 -1.497 11.235 1.00 0.00 O ATOM 0 H TYR A 40 3.115 -6.588 10.083 1.00 0.00 H new ATOM 0 HA TYR A 40 5.609 -7.715 11.218 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.370 -6.214 12.628 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.846 -6.807 13.364 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.847 -4.632 10.459 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.544 -5.247 13.702 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.961 -2.508 9.934 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.654 -3.120 13.183 1.00 0.00 H new ATOM 0 HH TYR A 40 7.730 -1.346 11.870 1.00 0.00 H new ATOM 656 N HIS A 41 4.175 -9.323 12.830 1.00 0.00 N ATOM 657 CA HIS A 41 3.518 -10.534 13.307 1.00 0.00 C ATOM 658 C HIS A 41 2.114 -10.226 13.819 1.00 0.00 C ATOM 659 O HIS A 41 1.123 -10.709 13.271 1.00 0.00 O ATOM 660 CB HIS A 41 4.345 -11.186 14.416 1.00 0.00 C ATOM 661 CG HIS A 41 5.706 -11.624 13.969 1.00 0.00 C ATOM 662 ND1 HIS A 41 6.922 -11.059 14.152 1.00 0.00 N flip ATOM 663 CD2 HIS A 41 5.925 -12.772 13.238 1.00 0.00 C flip ATOM 664 CE1 HIS A 41 7.845 -11.869 13.536 1.00 0.00 C flip ATOM 665 NE2 HIS A 41 7.217 -12.896 12.993 1.00 0.00 N flip ATOM 0 H HIS A 41 4.944 -9.001 13.418 1.00 0.00 H new ATOM 0 HA HIS A 41 3.437 -11.226 12.469 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.452 -10.481 15.241 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.803 -12.049 14.802 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.160 -13.462 12.916 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.910 -11.694 13.501 1.00 0.00 H new ATOM 0 HE2 HIS A 41 7.655 -13.656 12.473 1.00 0.00 H new ATOM 674 N ASP A 42 2.037 -9.419 14.871 1.00 0.00 N ATOM 675 CA ASP A 42 0.755 -9.046 15.457 1.00 0.00 C ATOM 676 C ASP A 42 0.625 -7.529 15.560 1.00 0.00 C ATOM 677 O ASP A 42 1.554 -6.794 15.226 1.00 0.00 O ATOM 678 CB ASP A 42 0.598 -9.679 16.840 1.00 0.00 C ATOM 679 CG ASP A 42 -0.838 -9.657 17.327 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.676 -10.369 16.735 1.00 0.00 O ATOM 681 OD2 ASP A 42 -1.124 -8.927 18.300 1.00 0.00 O ATOM 0 H ASP A 42 2.848 -9.010 15.336 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.036 -9.417 14.805 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.952 -10.709 16.807 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.229 -9.148 17.553 1.00 0.00 H new ATOM 686 N GLU A 43 -0.533 -7.069 16.023 1.00 0.00 N ATOM 687 CA GLU A 43 -0.783 -5.640 16.167 1.00 0.00 C ATOM 688 C GLU A 43 0.461 -4.918 16.677 1.00 0.00 C ATOM 689 O GLU A 43 0.667 -3.737 16.397 1.00 0.00 O ATOM 690 CB GLU A 43 -1.954 -5.399 17.123 1.00 0.00 C ATOM 691 CG GLU A 43 -1.632 -5.722 18.572 1.00 0.00 C ATOM 692 CD GLU A 43 -1.065 -4.533 19.323 1.00 0.00 C ATOM 693 OE1 GLU A 43 -0.628 -3.568 18.661 1.00 0.00 O ATOM 694 OE2 GLU A 43 -1.057 -4.567 20.571 1.00 0.00 O ATOM 0 H GLU A 43 -1.312 -7.664 16.304 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.036 -5.241 15.185 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.262 -4.356 17.052 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.803 -6.004 16.804 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.537 -6.066 19.073 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.917 -6.544 18.607 1.00 0.00 H new ATOM 701 N THR A 44 1.289 -5.638 17.429 1.00 0.00 N ATOM 702 CA THR A 44 2.512 -5.067 17.980 1.00 0.00 C ATOM 703 C THR A 44 3.572 -4.891 16.899 1.00 0.00 C ATOM 704 O THR A 44 4.165 -5.864 16.434 1.00 0.00 O ATOM 705 CB THR A 44 3.084 -5.948 19.106 1.00 0.00 C ATOM 706 OG1 THR A 44 3.491 -7.216 18.578 1.00 0.00 O ATOM 707 CG2 THR A 44 2.054 -6.157 20.206 1.00 0.00 C ATOM 0 H THR A 44 1.135 -6.617 17.670 1.00 0.00 H new ATOM 0 HA THR A 44 2.250 -4.091 18.389 1.00 0.00 H new ATOM 0 HB THR A 44 3.948 -5.439 19.532 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.691 -7.124 17.623 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.481 -6.782 20.990 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.769 -5.192 20.626 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.173 -6.646 19.791 1.00 0.00 H new ATOM 715 N ALA A 45 3.806 -3.644 16.504 1.00 0.00 N ATOM 716 CA ALA A 45 4.798 -3.341 15.479 1.00 0.00 C ATOM 717 C ALA A 45 6.190 -3.202 16.086 1.00 0.00 C ATOM 718 O ALA A 45 6.912 -2.251 15.791 1.00 0.00 O ATOM 719 CB ALA A 45 4.415 -2.070 14.735 1.00 0.00 C ATOM 0 H ALA A 45 3.323 -2.827 16.878 1.00 0.00 H new ATOM 0 HA ALA A 45 4.820 -4.171 14.772 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.164 -1.855 13.973 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.443 -2.205 14.261 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.364 -1.238 15.438 1.00 0.00 H new ATOM 725 N GLN A 46 6.558 -4.156 16.936 1.00 0.00 N ATOM 726 CA GLN A 46 7.863 -4.138 17.585 1.00 0.00 C ATOM 727 C GLN A 46 8.808 -5.143 16.935 1.00 0.00 C ATOM 728 O GLN A 46 10.020 -5.099 17.149 1.00 0.00 O ATOM 729 CB GLN A 46 7.719 -4.446 19.076 1.00 0.00 C ATOM 730 CG GLN A 46 7.001 -5.756 19.360 1.00 0.00 C ATOM 731 CD GLN A 46 7.003 -6.115 20.833 1.00 0.00 C ATOM 732 OE1 GLN A 46 6.744 -5.269 21.690 1.00 0.00 O ATOM 733 NE2 GLN A 46 7.295 -7.374 21.135 1.00 0.00 N ATOM 0 H GLN A 46 5.971 -4.950 17.191 1.00 0.00 H new ATOM 0 HA GLN A 46 8.286 -3.140 17.467 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.710 -4.479 19.529 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.176 -3.632 19.556 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.972 -5.685 19.009 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.477 -6.557 18.794 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.503 -8.041 20.392 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.311 -7.674 22.110 1.00 0.00 H new ATOM 742 N ASP A 47 8.247 -6.048 16.141 1.00 0.00 N ATOM 743 CA ASP A 47 9.039 -7.064 15.459 1.00 0.00 C ATOM 744 C ASP A 47 8.991 -6.867 13.947 1.00 0.00 C ATOM 745 O ASP A 47 8.442 -7.696 13.222 1.00 0.00 O ATOM 746 CB ASP A 47 8.535 -8.462 15.820 1.00 0.00 C ATOM 747 CG ASP A 47 9.070 -8.944 17.155 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.225 -8.607 17.487 1.00 0.00 O ATOM 749 OD2 ASP A 47 8.333 -9.659 17.866 1.00 0.00 O ATOM 0 H ASP A 47 7.246 -6.099 15.954 1.00 0.00 H new ATOM 0 HA ASP A 47 10.073 -6.963 15.787 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.445 -8.456 15.849 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.829 -9.164 15.039 1.00 0.00 H new ATOM 754 N GLU A 48 9.568 -5.764 13.480 1.00 0.00 N ATOM 755 CA GLU A 48 9.588 -5.458 12.055 1.00 0.00 C ATOM 756 C GLU A 48 10.186 -6.614 11.259 1.00 0.00 C ATOM 757 O GLU A 48 11.393 -6.849 11.299 1.00 0.00 O ATOM 758 CB GLU A 48 10.387 -4.179 11.796 1.00 0.00 C ATOM 759 CG GLU A 48 10.528 -3.837 10.323 1.00 0.00 C ATOM 760 CD GLU A 48 11.577 -2.772 10.069 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.403 -1.637 10.559 1.00 0.00 O ATOM 762 OE2 GLU A 48 12.574 -3.075 9.379 1.00 0.00 O ATOM 0 H GLU A 48 10.027 -5.068 14.068 1.00 0.00 H new ATOM 0 HA GLU A 48 8.559 -5.307 11.728 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.902 -3.348 12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.380 -4.287 12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.789 -4.738 9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.567 -3.494 9.940 1.00 0.00 H new ATOM 769 N GLU A 49 9.332 -7.333 10.537 1.00 0.00 N ATOM 770 CA GLU A 49 9.776 -8.465 9.733 1.00 0.00 C ATOM 771 C GLU A 49 10.474 -7.990 8.462 1.00 0.00 C ATOM 772 O GLU A 49 11.512 -8.525 8.073 1.00 0.00 O ATOM 773 CB GLU A 49 8.588 -9.360 9.371 1.00 0.00 C ATOM 774 CG GLU A 49 8.290 -10.426 10.413 1.00 0.00 C ATOM 775 CD GLU A 49 9.293 -11.563 10.387 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.137 -12.472 9.546 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.234 -11.543 11.208 1.00 0.00 O ATOM 0 H GLU A 49 8.329 -7.151 10.493 1.00 0.00 H new ATOM 0 HA GLU A 49 10.488 -9.040 10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.703 -8.738 9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.786 -9.844 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.288 -9.970 11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.290 -10.825 10.244 1.00 0.00 H new ATOM 784 N ASP A 50 9.895 -6.982 7.819 1.00 0.00 N ATOM 785 CA ASP A 50 10.461 -6.433 6.591 1.00 0.00 C ATOM 786 C ASP A 50 9.762 -5.133 6.205 1.00 0.00 C ATOM 787 O ASP A 50 8.760 -4.751 6.811 1.00 0.00 O ATOM 788 CB ASP A 50 10.344 -7.447 5.452 1.00 0.00 C ATOM 789 CG ASP A 50 11.463 -7.311 4.439 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.642 -7.380 4.845 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.160 -7.134 3.240 1.00 0.00 O ATOM 0 H ASP A 50 9.035 -6.528 8.127 1.00 0.00 H new ATOM 0 HA ASP A 50 11.515 -6.219 6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.352 -8.456 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.385 -7.316 4.950 1.00 0.00 H new ATOM 796 N ARG A 51 10.298 -4.456 5.195 1.00 0.00 N ATOM 797 CA ARG A 51 9.727 -3.198 4.729 1.00 0.00 C ATOM 798 C ARG A 51 10.079 -2.950 3.266 1.00 0.00 C ATOM 799 O ARG A 51 11.251 -2.833 2.909 1.00 0.00 O ATOM 800 CB ARG A 51 10.230 -2.037 5.590 1.00 0.00 C ATOM 801 CG ARG A 51 9.442 -0.751 5.398 1.00 0.00 C ATOM 802 CD ARG A 51 10.228 0.460 5.873 1.00 0.00 C ATOM 803 NE ARG A 51 11.266 0.847 4.920 1.00 0.00 N ATOM 804 CZ ARG A 51 12.326 1.578 5.245 1.00 0.00 C ATOM 805 NH1 ARG A 51 12.487 2.000 6.492 1.00 0.00 N ATOM 806 NH2 ARG A 51 13.227 1.889 4.323 1.00 0.00 N ATOM 0 H ARG A 51 11.127 -4.758 4.683 1.00 0.00 H new ATOM 0 HA ARG A 51 8.643 -3.265 4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.185 -2.328 6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.278 -1.850 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.189 -0.632 4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.502 -0.814 5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.547 1.297 6.027 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.685 0.240 6.838 1.00 0.00 H new ATOM 0 HE ARG A 51 11.171 0.539 3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.796 1.763 7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.302 2.561 6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.106 1.567 3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.041 2.451 4.574 1.00 0.00 H new ATOM 820 N VAL A 52 9.055 -2.870 2.422 1.00 0.00 N ATOM 821 CA VAL A 52 9.255 -2.636 0.997 1.00 0.00 C ATOM 822 C VAL A 52 8.794 -1.238 0.600 1.00 0.00 C ATOM 823 O VAL A 52 8.098 -0.563 1.359 1.00 0.00 O ATOM 824 CB VAL A 52 8.501 -3.674 0.145 1.00 0.00 C ATOM 825 CG1 VAL A 52 9.058 -5.069 0.387 1.00 0.00 C ATOM 826 CG2 VAL A 52 7.010 -3.627 0.445 1.00 0.00 C ATOM 0 H VAL A 52 8.078 -2.964 2.701 1.00 0.00 H new ATOM 0 HA VAL A 52 10.324 -2.731 0.808 1.00 0.00 H new ATOM 0 HB VAL A 52 8.645 -3.429 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.513 -5.789 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.114 -5.091 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.946 -5.328 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.492 -4.367 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.844 -3.847 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.624 -2.634 0.216 1.00 0.00 H new ATOM 836 N VAL A 53 9.186 -0.808 -0.596 1.00 0.00 N ATOM 837 CA VAL A 53 8.811 0.509 -1.095 1.00 0.00 C ATOM 838 C VAL A 53 7.506 0.448 -1.881 1.00 0.00 C ATOM 839 O VAL A 53 7.296 -0.459 -2.686 1.00 0.00 O ATOM 840 CB VAL A 53 9.912 1.102 -1.995 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.483 2.455 -2.542 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.221 1.218 -1.228 1.00 0.00 C ATOM 0 H VAL A 53 9.763 -1.353 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 53 8.678 1.151 -0.224 1.00 0.00 H new ATOM 0 HB VAL A 53 10.070 0.430 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.273 2.859 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.572 2.338 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.296 3.139 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.988 1.639 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.081 1.869 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.534 0.230 -0.890 1.00 0.00 H new ATOM 852 N ILE A 54 6.632 1.420 -1.641 1.00 0.00 N ATOM 853 CA ILE A 54 5.348 1.478 -2.328 1.00 0.00 C ATOM 854 C ILE A 54 5.319 2.614 -3.345 1.00 0.00 C ATOM 855 O ILE A 54 4.769 2.469 -4.438 1.00 0.00 O ATOM 856 CB ILE A 54 4.186 1.665 -1.334 1.00 0.00 C ATOM 857 CG1 ILE A 54 4.039 0.425 -0.449 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.890 1.946 -2.080 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.398 -0.749 -1.155 1.00 0.00 C ATOM 0 H ILE A 54 6.790 2.177 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 54 5.224 0.527 -2.846 1.00 0.00 H new ATOM 0 HB ILE A 54 4.408 2.520 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.023 0.128 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.442 0.682 0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.079 2.076 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.000 2.855 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.661 1.109 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.326 -1.592 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.400 -0.470 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.006 -1.033 -2.014 1.00 0.00 H new ATOM 871 N HIS A 55 5.916 3.744 -2.980 1.00 0.00 N ATOM 872 CA HIS A 55 5.961 4.904 -3.862 1.00 0.00 C ATOM 873 C HIS A 55 6.633 4.555 -5.186 1.00 0.00 C ATOM 874 O HIS A 55 7.798 4.159 -5.216 1.00 0.00 O ATOM 875 CB HIS A 55 6.706 6.056 -3.187 1.00 0.00 C ATOM 876 CG HIS A 55 6.413 7.395 -3.791 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.349 8.404 -3.873 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.281 7.887 -4.345 1.00 0.00 C ATOM 879 CE1 HIS A 55 6.804 9.460 -4.451 1.00 0.00 C ATOM 880 NE2 HIS A 55 5.550 9.173 -4.747 1.00 0.00 N ATOM 0 H HIS A 55 6.375 3.881 -2.080 1.00 0.00 H new ATOM 0 HA HIS A 55 4.936 5.214 -4.066 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.442 6.078 -2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.778 5.868 -3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.341 7.366 -4.451 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.300 10.399 -4.648 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.888 9.803 -5.200 1.00 0.00 H new ATOM 889 N PHE A 56 5.891 4.703 -6.278 1.00 0.00 N ATOM 890 CA PHE A 56 6.415 4.401 -7.605 1.00 0.00 C ATOM 891 C PHE A 56 7.311 3.167 -7.568 1.00 0.00 C ATOM 892 O PHE A 56 8.399 3.159 -8.143 1.00 0.00 O ATOM 893 CB PHE A 56 7.198 5.597 -8.152 1.00 0.00 C ATOM 894 CG PHE A 56 6.363 6.835 -8.319 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.308 6.859 -9.217 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.632 7.973 -7.576 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.539 7.997 -9.373 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.866 9.114 -7.727 1.00 0.00 C ATOM 899 CZ PHE A 56 4.817 9.125 -8.626 1.00 0.00 C ATOM 0 H PHE A 56 4.925 5.030 -6.270 1.00 0.00 H new ATOM 0 HA PHE A 56 5.571 4.196 -8.263 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.028 5.816 -7.480 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.631 5.328 -9.115 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.084 5.979 -9.801 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.450 7.969 -6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.721 8.004 -10.079 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.087 9.995 -7.143 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.215 10.014 -8.744 1.00 0.00 H new ATOM 909 N ASN A 57 6.845 2.125 -6.887 1.00 0.00 N ATOM 910 CA ASN A 57 7.604 0.885 -6.773 1.00 0.00 C ATOM 911 C ASN A 57 6.805 -0.294 -7.321 1.00 0.00 C ATOM 912 O ASN A 57 7.371 -1.245 -7.860 1.00 0.00 O ATOM 913 CB ASN A 57 7.981 0.625 -5.313 1.00 0.00 C ATOM 914 CG ASN A 57 9.271 -0.160 -5.181 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.342 0.315 -5.559 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.175 -1.370 -4.641 1.00 0.00 N ATOM 0 H ASN A 57 5.946 2.115 -6.406 1.00 0.00 H new ATOM 0 HA ASN A 57 8.514 0.990 -7.363 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.083 1.577 -4.792 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.175 0.079 -4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.010 -1.945 -4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.267 -1.724 -4.341 1.00 0.00 H new ATOM 923 N VAL A 58 5.485 -0.224 -7.179 1.00 0.00 N ATOM 924 CA VAL A 58 4.607 -1.284 -7.661 1.00 0.00 C ATOM 925 C VAL A 58 4.525 -1.280 -9.183 1.00 0.00 C ATOM 926 O VAL A 58 4.161 -0.274 -9.793 1.00 0.00 O ATOM 927 CB VAL A 58 3.187 -1.144 -7.081 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.274 -2.224 -7.638 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.225 -1.198 -5.561 1.00 0.00 C ATOM 0 H VAL A 58 5.000 0.555 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 58 5.037 -2.228 -7.326 1.00 0.00 H new ATOM 0 HB VAL A 58 2.786 -0.175 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.275 -2.109 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.223 -2.133 -8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.668 -3.205 -7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.213 -1.098 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.646 -2.151 -5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.843 -0.384 -5.183 1.00 0.00 H new ATOM 939 N ARG A 59 4.866 -2.411 -9.792 1.00 0.00 N ATOM 940 CA ARG A 59 4.832 -2.539 -11.243 1.00 0.00 C ATOM 941 C ARG A 59 3.436 -2.926 -11.722 1.00 0.00 C ATOM 942 O ARG A 59 2.938 -2.391 -12.713 1.00 0.00 O ATOM 943 CB ARG A 59 5.850 -3.581 -11.710 1.00 0.00 C ATOM 944 CG ARG A 59 6.256 -3.426 -13.166 1.00 0.00 C ATOM 945 CD ARG A 59 7.245 -2.285 -13.351 1.00 0.00 C ATOM 946 NE ARG A 59 7.293 -1.822 -14.735 1.00 0.00 N ATOM 947 CZ ARG A 59 8.041 -0.802 -15.143 1.00 0.00 C ATOM 948 NH1 ARG A 59 8.799 -0.144 -14.277 1.00 0.00 N ATOM 949 NH2 ARG A 59 8.032 -0.440 -16.419 1.00 0.00 N ATOM 0 H ARG A 59 5.169 -3.253 -9.302 1.00 0.00 H new ATOM 0 HA ARG A 59 5.090 -1.571 -11.673 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.740 -3.513 -11.084 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.432 -4.577 -11.562 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.701 -4.355 -13.522 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.370 -3.243 -13.774 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.967 -1.456 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.238 -2.613 -13.044 1.00 0.00 H new ATOM 0 HE ARG A 59 6.721 -2.308 -15.426 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.809 -0.420 -13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.372 0.638 -14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.451 -0.945 -17.088 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.606 0.343 -16.731 1.00 0.00 H new ATOM 963 N ASP A 60 2.811 -3.859 -11.013 1.00 0.00 N ATOM 964 CA ASP A 60 1.472 -4.318 -11.365 1.00 0.00 C ATOM 965 C ASP A 60 0.848 -5.104 -10.217 1.00 0.00 C ATOM 966 O ASP A 60 1.554 -5.659 -9.375 1.00 0.00 O ATOM 967 CB ASP A 60 1.522 -5.185 -12.625 1.00 0.00 C ATOM 968 CG ASP A 60 2.730 -6.101 -12.650 1.00 0.00 C ATOM 969 OD1 ASP A 60 3.849 -5.599 -12.886 1.00 0.00 O ATOM 970 OD2 ASP A 60 2.556 -7.319 -12.436 1.00 0.00 O ATOM 0 H ASP A 60 3.210 -4.313 -10.191 1.00 0.00 H new ATOM 0 HA ASP A 60 0.854 -3.442 -11.560 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.614 -5.785 -12.686 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.539 -4.542 -13.505 1.00 0.00 H new ATOM 975 N ILE A 61 -0.480 -5.146 -10.188 1.00 0.00 N ATOM 976 CA ILE A 61 -1.199 -5.863 -9.143 1.00 0.00 C ATOM 977 C ILE A 61 -2.372 -6.648 -9.721 1.00 0.00 C ATOM 978 O ILE A 61 -3.135 -6.133 -10.538 1.00 0.00 O ATOM 979 CB ILE A 61 -1.724 -4.902 -8.059 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.557 -4.265 -7.303 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.645 -5.640 -7.099 1.00 0.00 C ATOM 982 CD1 ILE A 61 -0.989 -3.244 -6.274 1.00 0.00 C ATOM 0 H ILE A 61 -1.080 -4.692 -10.877 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.489 -6.555 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.295 -4.109 -8.542 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.015 -5.049 -6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.111 -3.787 -8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.008 -4.948 -6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.491 -6.051 -7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.097 -6.451 -6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.110 -2.834 -5.777 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.536 -2.440 -6.767 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.633 -3.722 -5.536 1.00 0.00 H new ATOM 994 N LYS A 62 -2.510 -7.898 -9.291 1.00 0.00 N ATOM 995 CA LYS A 62 -3.591 -8.755 -9.763 1.00 0.00 C ATOM 996 C LYS A 62 -4.464 -9.219 -8.601 1.00 0.00 C ATOM 997 O LYS A 62 -4.052 -9.165 -7.442 1.00 0.00 O ATOM 998 CB LYS A 62 -3.022 -9.967 -10.503 1.00 0.00 C ATOM 999 CG LYS A 62 -1.932 -9.614 -11.501 1.00 0.00 C ATOM 1000 CD LYS A 62 -2.494 -8.867 -12.698 1.00 0.00 C ATOM 1001 CE LYS A 62 -2.908 -9.821 -13.808 1.00 0.00 C ATOM 1002 NZ LYS A 62 -3.156 -9.107 -15.091 1.00 0.00 N ATOM 0 H LYS A 62 -1.886 -8.340 -8.616 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.208 -8.175 -10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.621 -10.672 -9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.832 -10.475 -11.027 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.174 -9.002 -11.012 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.437 -10.525 -11.839 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.354 -8.274 -12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.747 -8.170 -13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.128 -10.569 -13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.810 -10.355 -13.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.319 -9.801 -15.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.993 -8.498 -14.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.329 -8.523 -15.329 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.671 -9.676 -8.919 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.600 -10.152 -7.902 1.00 0.00 C ATOM 1018 C VAL A 63 -7.431 -11.321 -8.421 1.00 0.00 C ATOM 1019 O VAL A 63 -7.946 -11.282 -9.537 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.547 -9.029 -7.438 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.593 -9.576 -6.478 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.758 -7.900 -6.793 1.00 0.00 C ATOM 0 H VAL A 63 -6.028 -9.726 -9.873 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.000 -10.484 -7.055 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.063 -8.628 -8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.253 -8.769 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.178 -10.348 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.098 -10.004 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.443 -7.115 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.214 -8.283 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.051 -7.491 -7.515 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.558 -12.360 -7.601 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.328 -13.525 -7.994 1.00 0.00 C ATOM 1034 C GLY A 64 -7.906 -14.071 -9.344 1.00 0.00 C ATOM 1035 O GLY A 64 -6.717 -14.259 -9.599 1.00 0.00 O ATOM 0 H GLY A 64 -7.141 -12.415 -6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.214 -14.303 -7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.386 -13.264 -8.026 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.882 -14.326 -10.209 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.604 -14.856 -11.539 1.00 0.00 C ATOM 1041 C GLN A 65 -7.388 -14.171 -12.155 1.00 0.00 C ATOM 1042 O GLN A 65 -6.440 -14.832 -12.576 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.821 -14.674 -12.447 1.00 0.00 C ATOM 1044 CG GLN A 65 -10.178 -13.218 -12.702 1.00 0.00 C ATOM 1045 CD GLN A 65 -11.522 -13.058 -13.385 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -12.380 -13.938 -13.308 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -11.713 -11.929 -14.059 1.00 0.00 N ATOM 0 H GLN A 65 -9.872 -14.174 -10.013 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.388 -15.920 -11.441 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.629 -15.165 -13.401 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.678 -15.176 -11.997 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.190 -12.679 -11.754 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.404 -12.761 -13.319 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.975 -11.226 -14.097 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.598 -11.765 -14.539 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.425 -12.843 -12.203 1.00 0.00 N ATOM 1057 CA GLU A 66 -6.325 -12.070 -12.769 1.00 0.00 C ATOM 1058 C GLU A 66 -4.979 -12.681 -12.390 1.00 0.00 C ATOM 1059 O GLU A 66 -4.124 -12.904 -13.247 1.00 0.00 O ATOM 1060 CB GLU A 66 -6.393 -10.619 -12.288 1.00 0.00 C ATOM 1061 CG GLU A 66 -7.237 -9.722 -13.178 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.430 -9.072 -14.285 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -5.736 -8.072 -14.007 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -6.492 -9.565 -15.431 1.00 0.00 O ATOM 0 H GLU A 66 -8.203 -12.281 -11.858 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.420 -12.091 -13.855 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.799 -10.599 -11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.382 -10.215 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.044 -10.308 -13.618 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.702 -8.947 -12.569 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.799 -12.947 -11.101 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.557 -13.530 -10.607 1.00 0.00 C ATOM 1073 C CYS A 67 -3.344 -14.925 -11.185 1.00 0.00 C ATOM 1074 O CYS A 67 -4.275 -15.541 -11.703 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.571 -13.595 -9.079 1.00 0.00 C ATOM 1076 SG CYS A 67 -1.933 -13.500 -8.321 1.00 0.00 S ATOM 0 H CYS A 67 -5.497 -12.768 -10.379 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.733 -12.893 -10.928 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.184 -12.779 -8.697 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.049 -14.525 -8.770 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.026 -12.929 -7.157 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.592 -21.033 -3.433 1.00 0.00 N ATOM 1145 CA PRO A 72 -6.110 -20.306 -2.271 1.00 0.00 C ATOM 1146 C PRO A 72 -6.214 -21.191 -1.033 1.00 0.00 C ATOM 1147 O PRO A 72 -6.431 -22.399 -1.121 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.501 -19.856 -2.725 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.896 -20.841 -3.770 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.623 -21.240 -4.465 1.00 0.00 C ATOM 0 HA PRO A 72 -5.456 -19.485 -1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.207 -19.855 -1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.478 -18.842 -3.125 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.386 -21.707 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.603 -20.401 -4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.655 -22.277 -4.799 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.438 -20.627 -5.347 1.00 0.00 H new ATOM 1158 N PRO A 73 -6.057 -20.576 0.149 1.00 0.00 N ATOM 1159 CA PRO A 73 -6.130 -21.290 1.428 1.00 0.00 C ATOM 1160 C PRO A 73 -7.544 -21.760 1.749 1.00 0.00 C ATOM 1161 O PRO A 73 -8.522 -21.187 1.269 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.670 -20.243 2.445 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.980 -18.933 1.807 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.796 -19.138 0.328 1.00 0.00 C ATOM 0 HA PRO A 73 -5.524 -22.196 1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.195 -20.355 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.605 -20.338 2.657 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.999 -18.620 2.034 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.317 -18.152 2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.489 -18.528 -0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.790 -18.869 0.007 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.645 -22.805 2.565 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.941 -23.351 2.949 1.00 0.00 C ATOM 1174 C GLU A 74 -9.844 -22.260 3.516 1.00 0.00 C ATOM 1175 O GLU A 74 -9.375 -21.320 4.156 1.00 0.00 O ATOM 1176 CB GLU A 74 -8.763 -24.468 3.981 1.00 0.00 C ATOM 1177 CG GLU A 74 -10.072 -25.095 4.430 1.00 0.00 C ATOM 1178 CD GLU A 74 -10.711 -25.947 3.351 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -11.137 -25.381 2.322 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -10.786 -27.180 3.536 1.00 0.00 O ATOM 0 H GLU A 74 -6.845 -23.290 2.972 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.413 -23.762 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.124 -25.244 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.244 -24.067 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.893 -25.708 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.766 -24.307 4.724 1.00 0.00 H new ATOM 1187 N GLY A 75 -11.145 -22.392 3.274 1.00 0.00 N ATOM 1188 CA GLY A 75 -12.095 -21.411 3.766 1.00 0.00 C ATOM 1189 C GLY A 75 -12.225 -20.216 2.841 1.00 0.00 C ATOM 1190 O GLY A 75 -13.334 -19.806 2.500 1.00 0.00 O ATOM 0 H GLY A 75 -11.558 -23.161 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.071 -21.882 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.783 -21.070 4.753 1.00 0.00 H new ATOM 1194 N ARG A 76 -11.089 -19.656 2.437 1.00 0.00 N ATOM 1195 CA ARG A 76 -11.082 -18.500 1.549 1.00 0.00 C ATOM 1196 C ARG A 76 -11.511 -18.894 0.139 1.00 0.00 C ATOM 1197 O ARG A 76 -11.886 -20.040 -0.109 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.689 -17.868 1.511 1.00 0.00 C ATOM 1199 CG ARG A 76 -9.427 -16.903 2.656 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.640 -17.569 4.006 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.642 -16.601 5.100 1.00 0.00 N ATOM 1202 CZ ARG A 76 -10.684 -15.832 5.399 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -11.801 -15.919 4.691 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -10.609 -14.975 6.409 1.00 0.00 N ATOM 0 H ARG A 76 -10.163 -19.984 2.710 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.794 -17.772 1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.940 -18.659 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.565 -17.340 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.405 -16.529 2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.089 -16.041 2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.587 -18.109 3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.854 -18.305 4.175 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.798 -16.510 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.863 -16.577 3.914 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.599 -15.328 4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.751 -14.906 6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.409 -14.385 6.638 1.00 0.00 H new ATOM 1218 N SER A 77 -11.454 -17.937 -0.781 1.00 0.00 N ATOM 1219 CA SER A 77 -11.841 -18.183 -2.165 1.00 0.00 C ATOM 1220 C SER A 77 -10.809 -17.606 -3.129 1.00 0.00 C ATOM 1221 O SER A 77 -10.050 -16.703 -2.775 1.00 0.00 O ATOM 1222 CB SER A 77 -13.216 -17.574 -2.449 1.00 0.00 C ATOM 1223 OG SER A 77 -14.177 -18.026 -1.511 1.00 0.00 O ATOM 0 H SER A 77 -11.143 -16.984 -0.593 1.00 0.00 H new ATOM 0 HA SER A 77 -11.891 -19.261 -2.315 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.150 -16.487 -2.412 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.534 -17.840 -3.457 1.00 0.00 H new ATOM 0 HG SER A 77 -15.047 -17.622 -1.713 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.787 -18.133 -4.349 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.848 -17.672 -5.364 1.00 0.00 C ATOM 1231 C ARG A 78 -9.865 -16.150 -5.470 1.00 0.00 C ATOM 1232 O ARG A 78 -8.820 -15.502 -5.412 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.186 -18.292 -6.721 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.490 -19.620 -6.974 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.242 -19.845 -8.458 1.00 0.00 C ATOM 1236 NE ARG A 78 -8.062 -19.125 -8.931 1.00 0.00 N ATOM 1237 CZ ARG A 78 -7.871 -18.780 -10.199 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -8.778 -19.088 -11.117 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -6.772 -18.126 -10.552 1.00 0.00 N ATOM 0 H ARG A 78 -11.409 -18.880 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.848 -17.987 -5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.264 -18.438 -6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.911 -17.591 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.541 -19.643 -6.438 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.099 -20.433 -6.578 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.116 -20.911 -8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.115 -19.522 -9.025 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.346 -18.874 -8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.624 -19.591 -10.849 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.629 -18.822 -12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.072 -17.888 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.627 -17.862 -11.526 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.058 -15.587 -5.625 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.212 -14.141 -5.739 1.00 0.00 C ATOM 1255 C ASP A 79 -10.355 -13.420 -4.702 1.00 0.00 C ATOM 1256 O ASP A 79 -9.838 -12.333 -4.956 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.680 -13.748 -5.568 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.620 -14.694 -6.289 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.920 -14.443 -7.474 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.056 -15.685 -5.667 1.00 0.00 O ATOM 0 H ASP A 79 -11.933 -16.110 -5.675 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.877 -13.842 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.928 -13.733 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.828 -12.736 -5.944 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.211 -14.034 -3.531 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.417 -13.436 -2.473 1.00 0.00 C ATOM 1267 C GLY A 80 -7.981 -13.192 -2.893 1.00 0.00 C ATOM 1268 O GLY A 80 -7.382 -12.181 -2.523 1.00 0.00 O ATOM 0 H GLY A 80 -10.630 -14.934 -3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.870 -12.491 -2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.431 -14.088 -1.600 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.427 -14.119 -3.666 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.051 -14.000 -4.135 1.00 0.00 C ATOM 1274 C LEU A 81 -5.692 -12.543 -4.410 1.00 0.00 C ATOM 1275 O LEU A 81 -6.524 -11.767 -4.882 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.849 -14.834 -5.402 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.407 -16.282 -5.188 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.164 -16.906 -4.027 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.611 -17.095 -6.459 1.00 0.00 C ATOM 0 H LEU A 81 -7.909 -14.961 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.393 -14.375 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.784 -14.839 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.106 -14.337 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.345 -16.285 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.836 -17.936 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.967 -16.339 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.233 -16.891 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.291 -18.123 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.666 -17.084 -6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.022 -16.661 -7.267 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.450 -12.179 -4.113 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.980 -10.815 -4.331 1.00 0.00 C ATOM 1293 C LEU A 82 -2.456 -10.755 -4.313 1.00 0.00 C ATOM 1294 O LEU A 82 -1.828 -10.944 -3.271 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.551 -9.881 -3.261 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.844 -8.536 -3.098 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.357 -7.535 -4.123 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.034 -8.001 -1.687 1.00 0.00 C ATOM 0 H LEU A 82 -3.750 -12.809 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.327 -10.490 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.599 -9.692 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.526 -10.400 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.778 -8.685 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.842 -6.583 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.168 -7.914 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.428 -7.390 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.524 -7.043 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.097 -7.868 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.617 -8.709 -0.970 1.00 0.00 H new ATOM 1310 N THR A 83 -1.866 -10.488 -5.474 1.00 0.00 N ATOM 1311 CA THR A 83 -0.416 -10.401 -5.592 1.00 0.00 C ATOM 1312 C THR A 83 0.017 -9.009 -6.038 1.00 0.00 C ATOM 1313 O THR A 83 -0.672 -8.354 -6.820 1.00 0.00 O ATOM 1314 CB THR A 83 0.129 -11.440 -6.590 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.027 -12.760 -6.058 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.597 -11.181 -6.893 1.00 0.00 C ATOM 0 H THR A 83 -2.370 -10.328 -6.346 1.00 0.00 H new ATOM 0 HA THR A 83 -0.005 -10.607 -4.603 1.00 0.00 H new ATOM 0 HB THR A 83 -0.438 -11.353 -7.517 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.361 -13.358 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.960 -11.927 -7.600 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.709 -10.187 -7.325 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.175 -11.243 -5.971 1.00 0.00 H new ATOM 1324 N VAL A 84 1.164 -8.562 -5.535 1.00 0.00 N ATOM 1325 CA VAL A 84 1.690 -7.248 -5.883 1.00 0.00 C ATOM 1326 C VAL A 84 3.106 -7.352 -6.440 1.00 0.00 C ATOM 1327 O VAL A 84 3.977 -7.977 -5.835 1.00 0.00 O ATOM 1328 CB VAL A 84 1.698 -6.305 -4.665 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.287 -4.954 -5.039 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.292 -6.147 -4.106 1.00 0.00 C ATOM 0 H VAL A 84 1.746 -9.091 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 84 1.031 -6.837 -6.647 1.00 0.00 H new ATOM 0 HB VAL A 84 2.326 -6.745 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.284 -4.302 -4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.311 -5.088 -5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.689 -4.503 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.315 -5.478 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.360 -5.729 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.089 -7.121 -3.798 1.00 0.00 H new ATOM 1340 N ASN A 85 3.328 -6.736 -7.596 1.00 0.00 N ATOM 1341 CA ASN A 85 4.639 -6.760 -8.235 1.00 0.00 C ATOM 1342 C ASN A 85 5.461 -5.537 -7.837 1.00 0.00 C ATOM 1343 O ASN A 85 4.925 -4.438 -7.686 1.00 0.00 O ATOM 1344 CB ASN A 85 4.487 -6.812 -9.756 1.00 0.00 C ATOM 1345 CG ASN A 85 4.429 -8.233 -10.283 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.280 -8.651 -11.069 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.422 -8.983 -9.851 1.00 0.00 N ATOM 0 H ASN A 85 2.618 -6.214 -8.110 1.00 0.00 H new ATOM 0 HA ASN A 85 5.163 -7.654 -7.898 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.579 -6.283 -10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.323 -6.289 -10.220 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.331 -9.947 -10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.740 -8.595 -9.200 1.00 0.00 H new ATOM 1354 N LEU A 86 6.763 -5.736 -7.668 1.00 0.00 N ATOM 1355 CA LEU A 86 7.660 -4.650 -7.288 1.00 0.00 C ATOM 1356 C LEU A 86 8.621 -4.314 -8.424 1.00 0.00 C ATOM 1357 O LEU A 86 8.963 -5.174 -9.235 1.00 0.00 O ATOM 1358 CB LEU A 86 8.449 -5.029 -6.033 1.00 0.00 C ATOM 1359 CG LEU A 86 7.618 -5.341 -4.787 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.487 -5.976 -3.713 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.953 -4.078 -4.260 1.00 0.00 C ATOM 0 H LEU A 86 7.222 -6.639 -7.788 1.00 0.00 H new ATOM 0 HA LEU A 86 7.054 -3.769 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.063 -5.900 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.130 -4.212 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 86 6.838 -6.051 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.880 -6.191 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.916 -6.903 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.289 -5.290 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.366 -4.319 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.717 -3.345 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.299 -3.664 -5.027 1.00 0.00 H new ATOM 1373 N ARG A 87 9.053 -3.058 -8.474 1.00 0.00 N ATOM 1374 CA ARG A 87 9.976 -2.609 -9.510 1.00 0.00 C ATOM 1375 C ARG A 87 11.379 -3.154 -9.262 1.00 0.00 C ATOM 1376 O ARG A 87 12.157 -3.340 -10.197 1.00 0.00 O ATOM 1377 CB ARG A 87 10.012 -1.081 -9.563 1.00 0.00 C ATOM 1378 CG ARG A 87 10.532 -0.440 -8.287 1.00 0.00 C ATOM 1379 CD ARG A 87 10.703 1.063 -8.447 1.00 0.00 C ATOM 1380 NE ARG A 87 11.836 1.396 -9.307 1.00 0.00 N ATOM 1381 CZ ARG A 87 11.991 2.578 -9.892 1.00 0.00 C ATOM 1382 NH1 ARG A 87 11.091 3.534 -9.712 1.00 0.00 N ATOM 1383 NH2 ARG A 87 13.049 2.805 -10.660 1.00 0.00 N ATOM 0 H ARG A 87 8.779 -2.334 -7.810 1.00 0.00 H new ATOM 0 HA ARG A 87 9.621 -2.990 -10.468 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.640 -0.769 -10.398 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.007 -0.709 -9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.841 -0.643 -7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.488 -0.889 -8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.792 1.489 -8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.846 1.518 -7.467 1.00 0.00 H new ATOM 0 HE ARG A 87 12.547 0.682 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.276 3.363 -9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.213 4.441 -10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.744 2.071 -10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.168 3.713 -11.109 1.00 0.00 H new ATOM 1397 N GLU A 88 11.695 -3.407 -7.996 1.00 0.00 N ATOM 1398 CA GLU A 88 13.005 -3.929 -7.625 1.00 0.00 C ATOM 1399 C GLU A 88 13.223 -5.320 -8.214 1.00 0.00 C ATOM 1400 O GLU A 88 14.345 -5.693 -8.553 1.00 0.00 O ATOM 1401 CB GLU A 88 13.147 -3.980 -6.103 1.00 0.00 C ATOM 1402 CG GLU A 88 12.099 -4.844 -5.423 1.00 0.00 C ATOM 1403 CD GLU A 88 12.364 -5.026 -3.941 1.00 0.00 C ATOM 1404 OE1 GLU A 88 12.133 -4.067 -3.174 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.803 -6.127 -3.548 1.00 0.00 O ATOM 0 H GLU A 88 11.062 -3.259 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 88 13.763 -3.258 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.137 -4.359 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.083 -2.967 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.117 -4.392 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.070 -5.821 -5.906 1.00 0.00 H new ATOM 1412 N GLY A 89 12.140 -6.082 -8.333 1.00 0.00 N ATOM 1413 CA GLY A 89 12.234 -7.423 -8.880 1.00 0.00 C ATOM 1414 C GLY A 89 11.756 -8.481 -7.905 1.00 0.00 C ATOM 1415 O GLY A 89 12.521 -9.361 -7.510 1.00 0.00 O ATOM 0 H GLY A 89 11.200 -5.795 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.643 -7.482 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.268 -7.628 -9.156 1.00 0.00 H new ATOM 1419 N SER A 90 10.488 -8.396 -7.516 1.00 0.00 N ATOM 1420 CA SER A 90 9.911 -9.350 -6.577 1.00 0.00 C ATOM 1421 C SER A 90 8.399 -9.170 -6.480 1.00 0.00 C ATOM 1422 O SER A 90 7.880 -8.072 -6.677 1.00 0.00 O ATOM 1423 CB SER A 90 10.545 -9.186 -5.194 1.00 0.00 C ATOM 1424 OG SER A 90 11.754 -9.918 -5.098 1.00 0.00 O ATOM 0 H SER A 90 9.841 -7.676 -7.837 1.00 0.00 H new ATOM 0 HA SER A 90 10.118 -10.355 -6.946 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.739 -8.131 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.848 -9.527 -4.428 1.00 0.00 H new ATOM 0 HG SER A 90 12.084 -10.124 -5.997 1.00 0.00 H new ATOM 1430 N ARG A 91 7.698 -10.257 -6.174 1.00 0.00 N ATOM 1431 CA ARG A 91 6.246 -10.221 -6.052 1.00 0.00 C ATOM 1432 C ARG A 91 5.812 -10.544 -4.625 1.00 0.00 C ATOM 1433 O ARG A 91 6.516 -11.242 -3.894 1.00 0.00 O ATOM 1434 CB ARG A 91 5.606 -11.210 -7.027 1.00 0.00 C ATOM 1435 CG ARG A 91 6.040 -12.650 -6.807 1.00 0.00 C ATOM 1436 CD ARG A 91 5.996 -13.449 -8.100 1.00 0.00 C ATOM 1437 NE ARG A 91 6.905 -14.592 -8.068 1.00 0.00 N ATOM 1438 CZ ARG A 91 7.125 -15.385 -9.111 1.00 0.00 C ATOM 1439 NH1 ARG A 91 6.505 -15.161 -10.261 1.00 0.00 N ATOM 1440 NH2 ARG A 91 7.967 -16.406 -9.004 1.00 0.00 N ATOM 0 H ARG A 91 8.113 -11.174 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 91 5.911 -9.213 -6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.522 -11.148 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.856 -10.916 -8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.051 -12.668 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.391 -13.118 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.979 -13.799 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.258 -12.801 -8.936 1.00 0.00 H new ATOM 0 HE ARG A 91 7.398 -14.792 -7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.857 -14.378 -10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.676 -15.772 -11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.445 -16.582 -8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.135 -17.014 -9.805 1.00 0.00 H new ATOM 1454 N LEU A 92 4.650 -10.032 -4.235 1.00 0.00 N ATOM 1455 CA LEU A 92 4.122 -10.266 -2.895 1.00 0.00 C ATOM 1456 C LEU A 92 2.874 -11.141 -2.947 1.00 0.00 C ATOM 1457 O LEU A 92 1.798 -10.685 -3.334 1.00 0.00 O ATOM 1458 CB LEU A 92 3.797 -8.935 -2.215 1.00 0.00 C ATOM 1459 CG LEU A 92 4.939 -8.285 -1.431 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.784 -6.772 -1.418 1.00 0.00 C ATOM 1461 CD2 LEU A 92 4.989 -8.831 -0.012 1.00 0.00 C ATOM 0 H LEU A 92 4.055 -9.452 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 92 4.885 -10.787 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.461 -8.233 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.960 -9.092 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 92 5.879 -8.528 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.605 -6.327 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.799 -6.396 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.837 -6.507 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.807 -8.358 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.047 -8.618 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.149 -9.909 -0.042 1.00 0.00 H new ATOM 1473 N HIS A 93 3.025 -12.402 -2.552 1.00 0.00 N ATOM 1474 CA HIS A 93 1.909 -13.341 -2.551 1.00 0.00 C ATOM 1475 C HIS A 93 1.020 -13.126 -1.330 1.00 0.00 C ATOM 1476 O HIS A 93 1.430 -13.381 -0.197 1.00 0.00 O ATOM 1477 CB HIS A 93 2.427 -14.780 -2.572 1.00 0.00 C ATOM 1478 CG HIS A 93 2.833 -15.250 -3.934 1.00 0.00 C ATOM 1479 ND1 HIS A 93 4.063 -14.970 -4.491 1.00 0.00 N ATOM 1480 CD2 HIS A 93 2.166 -15.988 -4.852 1.00 0.00 C ATOM 1481 CE1 HIS A 93 4.134 -15.513 -5.693 1.00 0.00 C ATOM 1482 NE2 HIS A 93 2.995 -16.137 -5.936 1.00 0.00 N ATOM 0 H HIS A 93 3.909 -12.796 -2.229 1.00 0.00 H new ATOM 0 HA HIS A 93 1.315 -13.163 -3.447 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.281 -14.860 -1.899 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.653 -15.442 -2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.167 -16.386 -4.750 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.979 -15.457 -6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 93 2.769 -16.647 -6.790 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.199 -12.654 -1.568 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.147 -12.403 -0.488 1.00 0.00 C ATOM 1493 C LEU A 94 -2.547 -12.873 -0.873 1.00 0.00 C ATOM 1494 O LEU A 94 -2.814 -13.171 -2.037 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.174 -10.914 -0.142 1.00 0.00 C ATOM 1496 CG LEU A 94 0.188 -10.245 0.053 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.058 -8.733 -0.038 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.795 -10.651 1.388 1.00 0.00 C ATOM 0 H LEU A 94 -0.554 -12.437 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.822 -12.967 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.705 -10.387 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.754 -10.784 0.772 1.00 0.00 H new ATOM 0 HG LEU A 94 0.853 -10.580 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.037 -8.275 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.333 -8.460 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.623 -8.379 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.763 -10.166 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.132 -10.346 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.925 -11.733 1.414 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.436 -12.933 0.112 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.809 -13.365 -0.123 1.00 0.00 C ATOM 1512 C CYS A 95 -5.765 -12.697 0.861 1.00 0.00 C ATOM 1513 O CYS A 95 -5.476 -12.599 2.053 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.915 -14.886 -0.003 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.608 -15.516 -0.083 1.00 0.00 S ATOM 0 H CYS A 95 -3.231 -12.688 1.081 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.090 -13.067 -1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.330 -15.344 -0.800 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.467 -15.197 0.941 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.754 -16.479 0.778 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.904 -12.238 0.352 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.902 -11.579 1.185 1.00 0.00 C ATOM 1523 C ALA A 96 -9.100 -12.491 1.430 1.00 0.00 C ATOM 1524 O ALA A 96 -9.375 -13.394 0.642 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.351 -10.276 0.541 1.00 0.00 C ATOM 0 H ALA A 96 -7.158 -12.311 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.445 -11.355 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.096 -9.795 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.493 -9.614 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.786 -10.484 -0.437 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.808 -12.247 2.529 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.975 -13.048 2.878 1.00 0.00 C ATOM 1533 C GLU A 97 -11.994 -13.048 1.742 1.00 0.00 C ATOM 1534 O GLU A 97 -12.512 -14.096 1.355 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.622 -12.517 4.158 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.889 -11.021 4.130 1.00 0.00 C ATOM 1537 CD GLU A 97 -12.483 -10.510 5.428 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -13.619 -10.910 5.758 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -11.812 -9.710 6.114 1.00 0.00 O ATOM 0 H GLU A 97 -9.594 -11.502 3.192 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.643 -14.073 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.562 -13.042 4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.975 -12.746 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.957 -10.493 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.569 -10.792 3.309 1.00 0.00 H new ATOM 1546 N THR A 98 -12.279 -11.862 1.211 1.00 0.00 N ATOM 1547 CA THR A 98 -13.237 -11.723 0.121 1.00 0.00 C ATOM 1548 C THR A 98 -12.650 -10.909 -1.026 1.00 0.00 C ATOM 1549 O THR A 98 -11.519 -10.430 -0.945 1.00 0.00 O ATOM 1550 CB THR A 98 -14.538 -11.052 0.600 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.268 -9.714 1.032 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.168 -11.841 1.737 1.00 0.00 C ATOM 0 H THR A 98 -11.860 -10.984 1.518 1.00 0.00 H new ATOM 0 HA THR A 98 -13.464 -12.729 -0.231 1.00 0.00 H new ATOM 0 HB THR A 98 -15.238 -11.029 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.100 -9.293 1.333 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.085 -11.347 2.058 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.399 -12.850 1.395 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.472 -11.892 2.574 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.426 -10.756 -2.094 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.982 -9.999 -3.259 1.00 0.00 C ATOM 1562 C ARG A 99 -12.996 -8.501 -2.971 1.00 0.00 C ATOM 1563 O ARG A 99 -12.250 -7.735 -3.581 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.874 -10.307 -4.463 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.344 -9.998 -4.227 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.112 -9.913 -5.537 1.00 0.00 C ATOM 1567 NE ARG A 99 -15.860 -8.657 -6.239 1.00 0.00 N ATOM 1568 CZ ARG A 99 -16.172 -8.453 -7.514 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -16.744 -9.416 -8.223 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -15.911 -7.282 -8.082 1.00 0.00 N ATOM 0 H ARG A 99 -14.365 -11.146 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.959 -10.298 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.524 -9.732 -5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.770 -11.361 -4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.783 -10.771 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.437 -9.055 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.830 -10.749 -6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.179 -10.009 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.421 -7.895 -5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.946 -10.317 -7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.982 -9.256 -9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.471 -6.539 -7.539 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.151 -7.125 -9.061 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.849 -8.090 -2.039 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.960 -6.684 -1.670 1.00 0.00 C ATOM 1586 C ASP A 100 -12.687 -6.200 -0.984 1.00 0.00 C ATOM 1587 O ASP A 100 -12.051 -5.247 -1.433 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.163 -6.469 -0.751 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.619 -5.023 -0.721 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -15.541 -4.355 -1.773 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -16.053 -4.561 0.354 1.00 0.00 O ATOM 0 H ASP A 100 -14.474 -8.711 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.102 -6.105 -2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.987 -7.100 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.906 -6.787 0.259 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.321 -6.863 0.108 1.00 0.00 N ATOM 1597 CA ASP A 101 -11.123 -6.501 0.857 1.00 0.00 C ATOM 1598 C ASP A 101 -9.893 -6.513 -0.045 1.00 0.00 C ATOM 1599 O ASP A 101 -8.985 -5.699 0.116 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.920 -7.461 2.030 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.698 -7.043 3.262 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.946 -7.064 3.212 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -11.059 -6.696 4.277 1.00 0.00 O ATOM 0 H ASP A 101 -12.837 -7.654 0.494 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.258 -5.491 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.228 -8.464 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.859 -7.512 2.274 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.872 -7.442 -0.995 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.754 -7.560 -1.924 1.00 0.00 C ATOM 1610 C ALA A 102 -8.582 -6.283 -2.740 1.00 0.00 C ATOM 1611 O ALA A 102 -7.502 -5.694 -2.767 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.956 -8.754 -2.845 1.00 0.00 C ATOM 0 H ALA A 102 -10.616 -8.124 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.845 -7.714 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.114 -8.830 -3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.022 -9.665 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.877 -8.624 -3.413 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.654 -5.862 -3.404 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.620 -4.655 -4.220 1.00 0.00 C ATOM 1620 C ILE A 103 -9.105 -3.464 -3.419 1.00 0.00 C ATOM 1621 O ILE A 103 -8.267 -2.699 -3.895 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.014 -4.317 -4.782 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.523 -5.460 -5.663 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -10.966 -3.016 -5.570 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.030 -5.498 -5.791 1.00 0.00 C ATOM 0 H ILE A 103 -10.556 -6.339 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.941 -4.853 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.705 -4.190 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.084 -5.366 -6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.177 -6.408 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.958 -2.790 -5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.641 -2.207 -4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.264 -3.118 -6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.320 -6.333 -6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.476 -5.623 -4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.381 -4.565 -6.232 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.611 -3.314 -2.200 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.199 -2.219 -1.331 1.00 0.00 C ATOM 1639 C ALA A 104 -7.685 -2.038 -1.355 1.00 0.00 C ATOM 1640 O ALA A 104 -7.186 -0.931 -1.556 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.681 -2.464 0.092 1.00 0.00 C ATOM 0 H ALA A 104 -10.307 -3.937 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.654 -1.301 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.366 -1.638 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.769 -2.535 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.254 -3.395 0.466 1.00 0.00 H new ATOM 1647 N TRP A 105 -6.961 -3.131 -1.148 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.503 -3.093 -1.146 1.00 0.00 C ATOM 1649 C TRP A 105 -4.966 -2.722 -2.524 1.00 0.00 C ATOM 1650 O TRP A 105 -4.011 -1.954 -2.643 1.00 0.00 O ATOM 1651 CB TRP A 105 -4.937 -4.446 -0.711 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.869 -4.612 0.777 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.575 -5.502 1.535 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.053 -3.865 1.686 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.246 -5.354 2.861 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.315 -4.357 2.980 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.126 -2.831 1.533 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.682 -3.848 4.111 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.500 -2.326 2.657 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.779 -2.836 3.932 1.00 0.00 C ATOM 0 H TRP A 105 -7.359 -4.055 -0.979 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.186 -2.330 -0.436 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.554 -5.241 -1.130 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -3.937 -4.564 -1.128 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.287 -6.217 1.149 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.633 -5.899 3.632 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -2.903 -2.433 0.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.896 -4.238 5.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.784 -1.525 2.551 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.271 -2.422 4.790 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.585 -3.271 -3.563 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.170 -2.997 -4.934 1.00 0.00 C ATOM 1673 C LYS A 106 -5.253 -1.505 -5.239 1.00 0.00 C ATOM 1674 O LYS A 106 -4.327 -0.924 -5.805 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.043 -3.779 -5.918 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.841 -3.370 -7.367 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.160 -4.512 -8.318 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.376 -4.392 -9.615 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.055 -3.498 -10.594 1.00 0.00 N ATOM 0 H LYS A 106 -6.377 -3.909 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.133 -3.315 -5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.828 -4.843 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.091 -3.639 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.477 -2.515 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.810 -3.049 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.928 -5.463 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.228 -4.518 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.379 -4.006 -9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.248 -5.381 -10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.489 -3.443 -11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.997 -3.879 -10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.154 -2.547 -10.185 1.00 0.00 H new ATOM 1693 N THR A 107 -6.368 -0.888 -4.858 1.00 0.00 N ATOM 1694 CA THR A 107 -6.571 0.536 -5.091 1.00 0.00 C ATOM 1695 C THR A 107 -5.696 1.374 -4.165 1.00 0.00 C ATOM 1696 O THR A 107 -5.076 2.347 -4.594 1.00 0.00 O ATOM 1697 CB THR A 107 -8.044 0.934 -4.887 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.881 0.189 -5.778 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.241 2.424 -5.124 1.00 0.00 C ATOM 0 H THR A 107 -7.144 -1.353 -4.387 1.00 0.00 H new ATOM 0 HA THR A 107 -6.291 0.731 -6.126 1.00 0.00 H new ATOM 0 HB THR A 107 -8.319 0.707 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.816 0.447 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.290 2.681 -4.974 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.625 2.988 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.949 2.672 -6.145 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.652 0.991 -2.894 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.851 1.707 -1.908 1.00 0.00 C ATOM 1709 C ALA A 108 -3.369 1.659 -2.265 1.00 0.00 C ATOM 1710 O ALA A 108 -2.607 2.563 -1.920 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.080 1.127 -0.520 1.00 0.00 C ATOM 0 H ALA A 108 -6.161 0.189 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.165 2.751 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.476 1.671 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.134 1.219 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.795 0.075 -0.514 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.966 0.599 -2.957 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.575 0.433 -3.361 1.00 0.00 C ATOM 1719 C LEU A 109 -1.306 1.134 -4.689 1.00 0.00 C ATOM 1720 O LEU A 109 -0.418 1.981 -4.787 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.230 -1.053 -3.477 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.236 -1.847 -2.170 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.332 -3.338 -2.452 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.008 -1.535 -1.351 1.00 0.00 C ATOM 0 H LEU A 109 -3.583 -0.158 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.944 0.887 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.937 -1.517 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.242 -1.142 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.111 -1.551 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.335 -3.887 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.253 -3.547 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.477 -3.651 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.013 -2.109 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.897 -1.802 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.033 -0.470 -1.118 1.00 0.00 H new ATOM 1736 N MET A 110 -2.079 0.776 -5.709 1.00 0.00 N ATOM 1737 CA MET A 110 -1.926 1.373 -7.030 1.00 0.00 C ATOM 1738 C MET A 110 -1.857 2.894 -6.935 1.00 0.00 C ATOM 1739 O MET A 110 -1.049 3.530 -7.611 1.00 0.00 O ATOM 1740 CB MET A 110 -3.087 0.959 -7.938 1.00 0.00 C ATOM 1741 CG MET A 110 -2.916 -0.421 -8.551 1.00 0.00 C ATOM 1742 SD MET A 110 -2.058 -0.376 -10.136 1.00 0.00 S ATOM 1743 CE MET A 110 -0.529 -1.209 -9.716 1.00 0.00 C ATOM 0 H MET A 110 -2.818 0.075 -5.646 1.00 0.00 H new ATOM 0 HA MET A 110 -0.992 1.011 -7.459 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.013 0.980 -7.363 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.192 1.692 -8.738 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.361 -1.055 -7.860 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.896 -0.878 -8.686 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.192 -1.075 -10.523 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.126 -0.787 -8.796 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.721 -2.272 -9.574 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.709 3.469 -6.092 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.744 4.915 -5.910 1.00 0.00 C ATOM 1755 C GLU A 111 -1.431 5.421 -5.321 1.00 0.00 C ATOM 1756 O GLU A 111 -0.687 6.155 -5.972 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.910 5.310 -5.001 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.203 5.577 -5.752 1.00 0.00 C ATOM 1759 CD GLU A 111 -6.180 6.417 -4.951 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -6.058 6.443 -3.708 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -7.064 7.048 -5.566 1.00 0.00 O ATOM 0 H GLU A 111 -3.384 2.956 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.884 5.375 -6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.079 4.515 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.635 6.202 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.976 6.085 -6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.672 4.627 -6.010 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.153 5.024 -4.083 1.00 0.00 N ATOM 1769 CA ALA A 112 0.070 5.436 -3.405 1.00 0.00 C ATOM 1770 C ALA A 112 1.286 5.253 -4.307 1.00 0.00 C ATOM 1771 O ALA A 112 2.225 6.047 -4.267 1.00 0.00 O ATOM 1772 CB ALA A 112 0.247 4.651 -2.113 1.00 0.00 C ATOM 0 H ALA A 112 -1.758 4.418 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 112 -0.016 6.496 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.164 4.969 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.603 4.835 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.307 3.586 -2.339 1.00 0.00 H new ATOM 1778 N ASN A 113 1.261 4.202 -5.120 1.00 0.00 N ATOM 1779 CA ASN A 113 2.363 3.915 -6.032 1.00 0.00 C ATOM 1780 C ASN A 113 2.516 5.025 -7.067 1.00 0.00 C ATOM 1781 O ASN A 113 3.630 5.388 -7.443 1.00 0.00 O ATOM 1782 CB ASN A 113 2.134 2.575 -6.735 1.00 0.00 C ATOM 1783 CG ASN A 113 2.766 2.530 -8.113 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.982 2.658 -8.255 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.940 2.348 -9.136 1.00 0.00 N ATOM 0 H ASN A 113 0.490 3.535 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 113 3.281 3.859 -5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.545 1.772 -6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.063 2.392 -6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.307 2.309 -10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.939 2.247 -8.971 1.00 0.00 H new ATOM 1792 N SER A 114 1.388 5.561 -7.523 1.00 0.00 N ATOM 1793 CA SER A 114 1.396 6.628 -8.517 1.00 0.00 C ATOM 1794 C SER A 114 0.758 7.896 -7.958 1.00 0.00 C ATOM 1795 O SER A 114 0.054 8.616 -8.667 1.00 0.00 O ATOM 1796 CB SER A 114 0.654 6.184 -9.779 1.00 0.00 C ATOM 1797 OG SER A 114 1.166 6.836 -10.928 1.00 0.00 O ATOM 0 H SER A 114 0.457 5.274 -7.220 1.00 0.00 H new ATOM 0 HA SER A 114 2.433 6.846 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 114 0.747 5.104 -9.898 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.409 6.403 -9.676 1.00 0.00 H new ATOM 0 HG SER A 114 0.676 6.534 -11.721 1.00 0.00 H new ATOM 1803 N THR A 115 1.009 8.164 -6.680 1.00 0.00 N ATOM 1804 CA THR A 115 0.460 9.343 -6.024 1.00 0.00 C ATOM 1805 C THR A 115 1.337 9.782 -4.857 1.00 0.00 C ATOM 1806 O THR A 115 1.345 9.167 -3.790 1.00 0.00 O ATOM 1807 CB THR A 115 -0.969 9.085 -5.509 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.862 8.904 -6.613 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.450 10.241 -4.645 1.00 0.00 C ATOM 0 H THR A 115 1.590 7.579 -6.079 1.00 0.00 H new ATOM 0 HA THR A 115 0.432 10.136 -6.771 1.00 0.00 H new ATOM 0 HB THR A 115 -0.955 8.180 -4.902 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.355 8.931 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.461 10.036 -4.293 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.785 10.357 -3.790 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.449 11.159 -5.232 1.00 0.00 H new ATOM 1817 N PRO A 116 2.093 10.871 -5.060 1.00 0.00 N ATOM 1818 CA PRO A 116 2.987 11.417 -4.035 1.00 0.00 C ATOM 1819 C PRO A 116 2.223 12.044 -2.874 1.00 0.00 C ATOM 1820 O PRO A 116 1.004 12.198 -2.932 1.00 0.00 O ATOM 1821 CB PRO A 116 3.783 12.484 -4.790 1.00 0.00 C ATOM 1822 CG PRO A 116 2.900 12.887 -5.920 1.00 0.00 C ATOM 1823 CD PRO A 116 2.133 11.653 -6.307 1.00 0.00 C ATOM 0 HA PRO A 116 3.608 10.644 -3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.016 13.333 -4.147 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.732 12.088 -5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.225 13.688 -5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.486 13.261 -6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.131 11.897 -6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.630 11.106 -7.109 1.00 0.00 H new