USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 648 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 31 LYS NZ :NH3+ -158:sc= -1.14 (180deg=-1.69!) USER MOD Set 1.2: A 38 SER OG : rot 34:sc= -0.52 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.00979) USER MOD Single : A 11 SER OG : rot 29:sc= 0.369 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.95! C(o=-2!,f=-13!) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.88 (180deg=1.54) USER MOD Single : A 36 SER OG : rot -140:sc= -2.28! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.129 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.00506 X(o=0.0051,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.726 K(o=-0.73,f=-2.3!) USER MOD Single : A 67 LYS NZ :NH3+ -157:sc= -0.0855 (180deg=-0.396) USER MOD Single : A 72 THR OG1 : rot -140:sc= 0.618 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -5.2! C(o=-5.2!,f=-5.9!) USER MOD Single : A 92 SER OG : rot 95:sc= 1.2 USER MOD Single : A 96 ASN : amide:sc= -0.0279 K(o=-0.028,f=-0.64) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 4.592 3.519 11.965 1.00 0.00 N ATOM 67 CA LYS A 8 3.608 3.793 10.925 1.00 0.00 C ATOM 68 C LYS A 8 4.196 3.541 9.540 1.00 0.00 C ATOM 69 O LYS A 8 3.559 3.821 8.524 1.00 0.00 O ATOM 70 CB LYS A 8 3.116 5.238 11.028 1.00 0.00 C ATOM 71 CG LYS A 8 1.711 5.443 10.489 1.00 0.00 C ATOM 72 CD LYS A 8 1.113 6.753 10.973 1.00 0.00 C ATOM 73 CE LYS A 8 -0.383 6.816 10.704 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.679 7.001 9.257 1.00 0.00 N ATOM 0 HA LYS A 8 2.765 3.118 11.070 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.144 5.549 12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.803 5.886 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.734 5.433 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.076 4.614 10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.297 6.865 12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.609 7.586 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.854 5.899 11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.820 7.637 11.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.709 7.039 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.251 7.889 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.285 6.204 8.717 1.00 0.00 H new ATOM 88 N VAL A 9 5.414 3.010 9.507 1.00 0.00 N ATOM 89 CA VAL A 9 6.086 2.719 8.246 1.00 0.00 C ATOM 90 C VAL A 9 6.722 1.333 8.270 1.00 0.00 C ATOM 91 O VAL A 9 6.672 0.632 9.281 1.00 0.00 O ATOM 92 CB VAL A 9 7.173 3.765 7.935 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.541 5.102 7.579 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.124 3.912 9.114 1.00 0.00 C ATOM 0 H VAL A 9 5.955 2.773 10.338 1.00 0.00 H new ATOM 0 HA VAL A 9 5.325 2.754 7.466 1.00 0.00 H new ATOM 0 HB VAL A 9 7.748 3.422 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.324 5.828 7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.905 4.982 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.940 5.455 8.417 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.885 4.655 8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.566 4.232 9.994 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.603 2.954 9.317 1.00 0.00 H new ATOM 104 N LYS A 10 7.321 0.944 7.150 1.00 0.00 N ATOM 105 CA LYS A 10 7.969 -0.358 7.041 1.00 0.00 C ATOM 106 C LYS A 10 8.911 -0.398 5.842 1.00 0.00 C ATOM 107 O LYS A 10 8.582 0.100 4.765 1.00 0.00 O ATOM 108 CB LYS A 10 6.920 -1.464 6.916 1.00 0.00 C ATOM 109 CG LYS A 10 7.404 -2.819 7.403 1.00 0.00 C ATOM 110 CD LYS A 10 6.244 -3.710 7.818 1.00 0.00 C ATOM 111 CE LYS A 10 6.692 -5.149 8.021 1.00 0.00 C ATOM 112 NZ LYS A 10 7.323 -5.350 9.355 1.00 0.00 N ATOM 0 H LYS A 10 7.371 1.512 6.304 1.00 0.00 H new ATOM 0 HA LYS A 10 8.554 -0.522 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.034 -1.179 7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.617 -1.549 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.975 -3.308 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.080 -2.683 8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.805 -3.331 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.465 -3.674 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.834 -5.814 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.400 -5.423 7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.312 -5.648 9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.295 -4.459 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.804 -6.084 9.878 1.00 0.00 H new ATOM 126 N SER A 11 10.083 -0.994 6.035 1.00 0.00 N ATOM 127 CA SER A 11 11.073 -1.097 4.969 1.00 0.00 C ATOM 128 C SER A 11 11.882 -2.384 5.102 1.00 0.00 C ATOM 129 O SER A 11 12.546 -2.613 6.112 1.00 0.00 O ATOM 130 CB SER A 11 12.010 0.112 4.996 1.00 0.00 C ATOM 131 OG SER A 11 12.728 0.174 6.217 1.00 0.00 O ATOM 0 H SER A 11 10.370 -1.413 6.919 1.00 0.00 H new ATOM 0 HA SER A 11 10.544 -1.117 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.709 0.053 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.432 1.027 4.863 1.00 0.00 H new ATOM 0 HG SER A 11 12.841 -0.731 6.576 1.00 0.00 H new ATOM 137 N GLY A 12 11.820 -3.223 4.072 1.00 0.00 N ATOM 138 CA GLY A 12 12.550 -4.477 4.092 1.00 0.00 C ATOM 139 C GLY A 12 12.525 -5.184 2.751 1.00 0.00 C ATOM 140 O GLY A 12 11.714 -4.857 1.884 1.00 0.00 O ATOM 0 H GLY A 12 11.277 -3.056 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.584 -4.287 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.122 -5.131 4.852 1.00 0.00 H new ATOM 144 N TRP A 13 13.416 -6.154 2.579 1.00 0.00 N ATOM 145 CA TRP A 13 13.494 -6.907 1.332 1.00 0.00 C ATOM 146 C TRP A 13 12.212 -7.696 1.092 1.00 0.00 C ATOM 147 O TRP A 13 11.928 -8.667 1.793 1.00 0.00 O ATOM 148 CB TRP A 13 14.694 -7.856 1.360 1.00 0.00 C ATOM 149 CG TRP A 13 16.009 -7.147 1.481 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.673 -6.842 2.635 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.818 -6.654 0.408 1.00 0.00 C ATOM 152 NE1 TRP A 13 17.846 -6.189 2.344 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.959 -6.062 0.985 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.692 -6.657 -0.984 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.963 -5.479 0.217 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.689 -6.078 -1.745 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.813 -5.496 -1.144 1.00 0.00 C ATOM 0 H TRP A 13 14.094 -6.437 3.286 1.00 0.00 H new ATOM 0 HA TRP A 13 13.620 -6.197 0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 13 14.583 -8.546 2.196 1.00 0.00 H new ATOM 0 HB3 TRP A 13 14.695 -8.456 0.450 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.327 -7.079 3.630 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.523 -5.853 3.029 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.830 -7.104 -1.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.830 -5.029 0.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 17.601 -6.074 -2.821 1.00 0.00 H new ATOM 0 HH2 TRP A 13 19.576 -5.052 -1.766 1.00 0.00 H new ATOM 168 N LEU A 14 11.440 -7.272 0.096 1.00 0.00 N ATOM 169 CA LEU A 14 10.187 -7.940 -0.237 1.00 0.00 C ATOM 170 C LEU A 14 10.304 -8.689 -1.561 1.00 0.00 C ATOM 171 O LEU A 14 10.710 -8.119 -2.574 1.00 0.00 O ATOM 172 CB LEU A 14 9.048 -6.922 -0.313 1.00 0.00 C ATOM 173 CG LEU A 14 8.684 -6.223 0.997 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.458 -5.343 0.810 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.446 -7.245 2.099 1.00 0.00 C ATOM 0 H LEU A 14 11.660 -6.470 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 14 9.969 -8.662 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.316 -6.161 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.160 -7.428 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 14 9.520 -5.588 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.214 -4.854 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.665 -4.587 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.615 -5.956 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.188 -6.729 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.628 -7.906 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.351 -7.833 2.252 1.00 0.00 H new ATOM 187 N ASP A 15 9.945 -9.968 -1.545 1.00 0.00 N ATOM 188 CA ASP A 15 10.007 -10.795 -2.744 1.00 0.00 C ATOM 189 C ASP A 15 8.831 -10.498 -3.670 1.00 0.00 C ATOM 190 O ASP A 15 7.676 -10.743 -3.322 1.00 0.00 O ATOM 191 CB ASP A 15 10.014 -12.277 -2.368 1.00 0.00 C ATOM 192 CG ASP A 15 11.411 -12.796 -2.087 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.270 -11.991 -1.671 1.00 0.00 O ATOM 194 OD2 ASP A 15 11.643 -14.007 -2.282 1.00 0.00 O ATOM 0 H ASP A 15 9.608 -10.455 -0.714 1.00 0.00 H new ATOM 0 HA ASP A 15 10.931 -10.558 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.389 -12.429 -1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.570 -12.856 -3.178 1.00 0.00 H new ATOM 199 N LYS A 16 9.133 -9.967 -4.850 1.00 0.00 N ATOM 200 CA LYS A 16 8.103 -9.636 -5.827 1.00 0.00 C ATOM 201 C LYS A 16 8.185 -10.559 -7.039 1.00 0.00 C ATOM 202 O LYS A 16 9.272 -10.974 -7.443 1.00 0.00 O ATOM 203 CB LYS A 16 8.242 -8.178 -6.272 1.00 0.00 C ATOM 204 CG LYS A 16 7.013 -7.639 -6.982 1.00 0.00 C ATOM 205 CD LYS A 16 7.368 -6.504 -7.928 1.00 0.00 C ATOM 206 CE LYS A 16 6.123 -5.809 -8.457 1.00 0.00 C ATOM 207 NZ LYS A 16 5.535 -6.533 -9.618 1.00 0.00 N ATOM 0 H LYS A 16 10.084 -9.757 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 16 7.131 -9.774 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.448 -7.559 -5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.102 -8.090 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.533 -8.442 -7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.291 -7.287 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.997 -5.780 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.951 -6.893 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.382 -5.736 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.374 -4.790 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.688 -6.028 -9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.233 -6.581 -10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.272 -7.497 -9.329 1.00 0.00 H new ATOM 221 N LEU A 17 7.031 -10.875 -7.615 1.00 0.00 N ATOM 222 CA LEU A 17 6.973 -11.747 -8.783 1.00 0.00 C ATOM 223 C LEU A 17 7.140 -10.947 -10.070 1.00 0.00 C ATOM 224 O LEU A 17 6.188 -10.767 -10.830 1.00 0.00 O ATOM 225 CB LEU A 17 5.645 -12.507 -8.810 1.00 0.00 C ATOM 226 CG LEU A 17 5.489 -13.546 -9.922 1.00 0.00 C ATOM 227 CD1 LEU A 17 6.455 -14.701 -9.712 1.00 0.00 C ATOM 228 CD2 LEU A 17 4.055 -14.051 -9.982 1.00 0.00 C ATOM 0 H LEU A 17 6.123 -10.541 -7.293 1.00 0.00 H new ATOM 0 HA LEU A 17 7.793 -12.461 -8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.517 -13.009 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.836 -11.782 -8.901 1.00 0.00 H new ATOM 0 HG LEU A 17 5.725 -13.070 -10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.330 -15.430 -10.512 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.478 -14.326 -9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.251 -15.177 -8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.962 -14.789 -10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.791 -14.510 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.383 -13.216 -10.181 1.00 0.00 H new ATOM 372 N GLN A 26 11.930 -12.206 -7.196 1.00 0.00 N ATOM 373 CA GLN A 26 13.070 -11.301 -7.277 1.00 0.00 C ATOM 374 C GLN A 26 13.333 -10.636 -5.930 1.00 0.00 C ATOM 375 O GLN A 26 12.493 -10.676 -5.030 1.00 0.00 O ATOM 376 CB GLN A 26 12.827 -10.234 -8.346 1.00 0.00 C ATOM 377 CG GLN A 26 13.008 -10.745 -9.767 1.00 0.00 C ATOM 378 CD GLN A 26 13.442 -9.656 -10.727 1.00 0.00 C ATOM 379 OE1 GLN A 26 13.610 -8.500 -10.338 1.00 0.00 O ATOM 380 NE2 GLN A 26 13.628 -10.020 -11.991 1.00 0.00 N ATOM 0 HA GLN A 26 13.948 -11.887 -7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.815 -9.844 -8.235 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.510 -9.401 -8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.750 -11.544 -9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.071 -11.179 -10.115 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.477 -10.989 -12.270 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.922 -9.330 -12.682 1.00 0.00 H new ATOM 389 N LYS A 27 14.505 -10.024 -5.796 1.00 0.00 N ATOM 390 CA LYS A 27 14.879 -9.349 -4.559 1.00 0.00 C ATOM 391 C LYS A 27 14.932 -7.838 -4.759 1.00 0.00 C ATOM 392 O LYS A 27 15.992 -7.276 -5.037 1.00 0.00 O ATOM 393 CB LYS A 27 16.237 -9.857 -4.068 1.00 0.00 C ATOM 394 CG LYS A 27 16.398 -9.798 -2.559 1.00 0.00 C ATOM 395 CD LYS A 27 17.519 -10.706 -2.082 1.00 0.00 C ATOM 396 CE LYS A 27 17.751 -10.567 -0.585 1.00 0.00 C ATOM 397 NZ LYS A 27 18.383 -9.264 -0.240 1.00 0.00 N ATOM 0 H LYS A 27 15.212 -9.982 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 27 14.121 -9.572 -3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.372 -10.887 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.026 -9.266 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.605 -8.772 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.463 -10.090 -2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.275 -11.742 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.437 -10.464 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.800 -10.660 -0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.387 -11.382 -0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.784 -9.316 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.140 -9.054 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.667 -8.511 -0.275 1.00 0.00 H new ATOM 411 N ARG A 28 13.784 -7.186 -4.613 1.00 0.00 N ATOM 412 CA ARG A 28 13.700 -5.739 -4.777 1.00 0.00 C ATOM 413 C ARG A 28 13.442 -5.054 -3.438 1.00 0.00 C ATOM 414 O ARG A 28 12.767 -5.604 -2.569 1.00 0.00 O ATOM 415 CB ARG A 28 12.591 -5.380 -5.768 1.00 0.00 C ATOM 416 CG ARG A 28 12.744 -6.052 -7.123 1.00 0.00 C ATOM 417 CD ARG A 28 13.892 -5.450 -7.917 1.00 0.00 C ATOM 418 NE ARG A 28 14.012 -6.047 -9.244 1.00 0.00 N ATOM 419 CZ ARG A 28 13.312 -5.642 -10.298 1.00 0.00 C ATOM 420 NH1 ARG A 28 12.448 -4.644 -10.180 1.00 0.00 N ATOM 421 NH2 ARG A 28 13.478 -6.236 -11.473 1.00 0.00 N ATOM 0 H ARG A 28 12.899 -7.636 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 28 14.655 -5.387 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.628 -5.660 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.576 -4.299 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.917 -7.119 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.817 -5.950 -7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.740 -4.375 -8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.824 -5.591 -7.370 1.00 0.00 H new ATOM 0 HE ARG A 28 14.669 -6.817 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.319 -4.185 -9.278 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.912 -4.335 -10.991 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.143 -7.004 -11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.940 -5.925 -12.282 1.00 0.00 H new ATOM 435 N TRP A 29 13.985 -3.852 -3.281 1.00 0.00 N ATOM 436 CA TRP A 29 13.814 -3.093 -2.047 1.00 0.00 C ATOM 437 C TRP A 29 12.473 -2.366 -2.037 1.00 0.00 C ATOM 438 O TRP A 29 12.023 -1.858 -3.065 1.00 0.00 O ATOM 439 CB TRP A 29 14.954 -2.087 -1.882 1.00 0.00 C ATOM 440 CG TRP A 29 14.968 -1.421 -0.539 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.887 -0.081 -0.288 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.070 -2.064 0.736 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.933 0.148 1.066 1.00 0.00 N ATOM 444 CE2 TRP A 29 15.045 -1.052 1.716 1.00 0.00 C ATOM 445 CE3 TRP A 29 15.179 -3.396 1.145 1.00 0.00 C ATOM 446 CZ2 TRP A 29 15.125 -1.333 3.077 1.00 0.00 C ATOM 447 CZ3 TRP A 29 15.259 -3.672 2.497 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.231 -2.646 3.450 1.00 0.00 C ATOM 0 H TRP A 29 14.547 -3.382 -3.991 1.00 0.00 H new ATOM 0 HA TRP A 29 13.833 -3.794 -1.212 1.00 0.00 H new ATOM 0 HB2 TRP A 29 15.905 -2.597 -2.037 1.00 0.00 H new ATOM 0 HB3 TRP A 29 14.872 -1.325 -2.657 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.800 0.686 -1.043 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.891 1.063 1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 29 15.200 -4.195 0.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.104 -0.543 3.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 15.345 -4.698 2.825 1.00 0.00 H new ATOM 0 HH2 TRP A 29 15.294 -2.895 4.499 1.00 0.00 H new ATOM 459 N VAL A 30 11.839 -2.319 -0.870 1.00 0.00 N ATOM 460 CA VAL A 30 10.550 -1.653 -0.726 1.00 0.00 C ATOM 461 C VAL A 30 10.537 -0.740 0.495 1.00 0.00 C ATOM 462 O VAL A 30 11.187 -1.021 1.502 1.00 0.00 O ATOM 463 CB VAL A 30 9.402 -2.672 -0.604 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.057 -1.963 -0.596 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.471 -3.690 -1.732 1.00 0.00 C ATOM 0 H VAL A 30 12.197 -2.734 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 30 10.400 -1.055 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 30 9.511 -3.204 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.258 -2.699 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.012 -1.277 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.935 -1.403 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.652 -4.402 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.389 -3.177 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.422 -4.221 -1.685 1.00 0.00 H new ATOM 475 N LYS A 31 9.791 0.356 0.399 1.00 0.00 N ATOM 476 CA LYS A 31 9.690 1.312 1.495 1.00 0.00 C ATOM 477 C LYS A 31 8.331 2.003 1.491 1.00 0.00 C ATOM 478 O LYS A 31 7.765 2.276 0.432 1.00 0.00 O ATOM 479 CB LYS A 31 10.805 2.355 1.394 1.00 0.00 C ATOM 480 CG LYS A 31 10.497 3.647 2.130 1.00 0.00 C ATOM 481 CD LYS A 31 9.788 4.646 1.231 1.00 0.00 C ATOM 482 CE LYS A 31 9.458 5.930 1.976 1.00 0.00 C ATOM 483 NZ LYS A 31 8.993 7.003 1.054 1.00 0.00 N ATOM 0 H LYS A 31 9.247 0.604 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 31 9.797 0.765 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.726 1.930 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.987 2.580 0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.875 3.432 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.423 4.085 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.418 4.875 0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.870 4.202 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.686 5.730 2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.340 6.273 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.133 7.931 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.538 6.961 0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.983 6.868 0.845 1.00 0.00 H new ATOM 497 N PHE A 32 7.812 2.285 2.681 1.00 0.00 N ATOM 498 CA PHE A 32 6.518 2.945 2.814 1.00 0.00 C ATOM 499 C PHE A 32 6.628 4.184 3.698 1.00 0.00 C ATOM 500 O PHE A 32 7.247 4.148 4.762 1.00 0.00 O ATOM 501 CB PHE A 32 5.486 1.979 3.398 1.00 0.00 C ATOM 502 CG PHE A 32 4.082 2.512 3.369 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.499 2.900 2.173 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.345 2.624 4.537 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.207 3.392 2.144 1.00 0.00 C ATOM 506 CE2 PHE A 32 2.053 3.114 4.514 1.00 0.00 C ATOM 507 CZ PHE A 32 1.483 3.498 3.315 1.00 0.00 C ATOM 0 H PHE A 32 8.267 2.067 3.567 1.00 0.00 H new ATOM 0 HA PHE A 32 6.193 3.256 1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.522 1.042 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.758 1.749 4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.060 2.817 1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.785 2.325 5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.764 3.693 1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.490 3.197 5.432 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.473 3.880 3.294 1.00 0.00 H new ATOM 517 N ASP A 33 6.025 5.279 3.250 1.00 0.00 N ATOM 518 CA ASP A 33 6.054 6.530 3.999 1.00 0.00 C ATOM 519 C ASP A 33 4.666 6.879 4.528 1.00 0.00 C ATOM 520 O ASP A 33 4.530 7.501 5.580 1.00 0.00 O ATOM 521 CB ASP A 33 6.577 7.665 3.118 1.00 0.00 C ATOM 522 CG ASP A 33 6.445 9.022 3.782 1.00 0.00 C ATOM 523 OD1 ASP A 33 5.307 9.408 4.122 1.00 0.00 O ATOM 524 OD2 ASP A 33 7.480 9.697 3.963 1.00 0.00 O ATOM 0 H ASP A 33 5.510 5.326 2.371 1.00 0.00 H new ATOM 0 HA ASP A 33 6.725 6.401 4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.624 7.482 2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.030 7.670 2.175 1.00 0.00 H new ATOM 529 N GLY A 34 3.637 6.474 3.789 1.00 0.00 N ATOM 530 CA GLY A 34 2.274 6.754 4.199 1.00 0.00 C ATOM 531 C GLY A 34 1.409 7.231 3.050 1.00 0.00 C ATOM 532 O GLY A 34 0.184 7.282 3.164 1.00 0.00 O ATOM 0 H GLY A 34 3.724 5.957 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.836 5.854 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.282 7.512 4.982 1.00 0.00 H new ATOM 536 N LEU A 35 2.046 7.584 1.939 1.00 0.00 N ATOM 537 CA LEU A 35 1.327 8.062 0.763 1.00 0.00 C ATOM 538 C LEU A 35 1.415 7.052 -0.377 1.00 0.00 C ATOM 539 O LEU A 35 0.416 6.745 -1.026 1.00 0.00 O ATOM 540 CB LEU A 35 1.890 9.410 0.310 1.00 0.00 C ATOM 541 CG LEU A 35 1.395 10.636 1.078 1.00 0.00 C ATOM 542 CD1 LEU A 35 2.380 11.787 0.939 1.00 0.00 C ATOM 543 CD2 LEU A 35 0.016 11.051 0.589 1.00 0.00 C ATOM 0 H LEU A 35 3.059 7.548 1.828 1.00 0.00 H new ATOM 0 HA LEU A 35 0.278 8.186 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.977 9.372 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.650 9.545 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 35 1.321 10.373 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.011 12.651 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.349 11.487 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.487 12.049 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.320 11.925 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.064 11.295 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.686 10.231 0.741 1.00 0.00 H new ATOM 555 N SER A 36 2.618 6.537 -0.613 1.00 0.00 N ATOM 556 CA SER A 36 2.837 5.563 -1.676 1.00 0.00 C ATOM 557 C SER A 36 3.965 4.603 -1.308 1.00 0.00 C ATOM 558 O SER A 36 4.757 4.876 -0.406 1.00 0.00 O ATOM 559 CB SER A 36 3.166 6.275 -2.989 1.00 0.00 C ATOM 560 OG SER A 36 4.180 7.247 -2.803 1.00 0.00 O ATOM 0 H SER A 36 3.455 6.778 -0.083 1.00 0.00 H new ATOM 0 HA SER A 36 1.920 4.988 -1.803 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.490 5.545 -3.731 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.268 6.752 -3.382 1.00 0.00 H new ATOM 0 HG SER A 36 3.969 8.045 -3.331 1.00 0.00 H new ATOM 566 N ILE A 37 4.029 3.479 -2.013 1.00 0.00 N ATOM 567 CA ILE A 37 5.059 2.478 -1.762 1.00 0.00 C ATOM 568 C ILE A 37 6.147 2.531 -2.829 1.00 0.00 C ATOM 569 O ILE A 37 5.939 2.103 -3.964 1.00 0.00 O ATOM 570 CB ILE A 37 4.466 1.058 -1.720 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.345 0.980 -0.681 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.553 0.039 -1.411 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.300 -0.066 -0.997 1.00 0.00 C ATOM 0 H ILE A 37 3.380 3.238 -2.762 1.00 0.00 H new ATOM 0 HA ILE A 37 5.494 2.710 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 37 4.046 0.827 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.780 0.764 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.861 1.954 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.118 -0.960 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.321 0.080 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.000 0.266 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.537 -0.065 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.838 0.160 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.770 -1.048 -1.043 1.00 0.00 H new ATOM 585 N SER A 38 7.310 3.056 -2.456 1.00 0.00 N ATOM 586 CA SER A 38 8.431 3.167 -3.381 1.00 0.00 C ATOM 587 C SER A 38 9.358 1.962 -3.257 1.00 0.00 C ATOM 588 O SER A 38 9.903 1.691 -2.187 1.00 0.00 O ATOM 589 CB SER A 38 9.213 4.455 -3.117 1.00 0.00 C ATOM 590 OG SER A 38 9.578 4.559 -1.751 1.00 0.00 O ATOM 0 H SER A 38 7.500 3.411 -1.519 1.00 0.00 H new ATOM 0 HA SER A 38 8.032 3.195 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.108 4.475 -3.738 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.608 5.316 -3.402 1.00 0.00 H new ATOM 0 HG SER A 38 9.764 3.666 -1.393 1.00 0.00 H new ATOM 596 N TYR A 39 9.532 1.241 -4.359 1.00 0.00 N ATOM 597 CA TYR A 39 10.391 0.063 -4.375 1.00 0.00 C ATOM 598 C TYR A 39 11.471 0.190 -5.445 1.00 0.00 C ATOM 599 O TYR A 39 11.175 0.432 -6.616 1.00 0.00 O ATOM 600 CB TYR A 39 9.559 -1.197 -4.621 1.00 0.00 C ATOM 601 CG TYR A 39 8.922 -1.244 -5.992 1.00 0.00 C ATOM 602 CD1 TYR A 39 7.711 -0.608 -6.239 1.00 0.00 C ATOM 603 CD2 TYR A 39 9.530 -1.925 -7.039 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.125 -0.649 -7.489 1.00 0.00 C ATOM 605 CE2 TYR A 39 8.952 -1.969 -8.293 1.00 0.00 C ATOM 606 CZ TYR A 39 7.750 -1.330 -8.513 1.00 0.00 C ATOM 607 OH TYR A 39 7.170 -1.374 -9.760 1.00 0.00 O ATOM 0 H TYR A 39 9.089 1.452 -5.253 1.00 0.00 H new ATOM 0 HA TYR A 39 10.877 -0.014 -3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.195 -2.073 -4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.777 -1.260 -3.864 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.220 -0.073 -5.440 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.470 -2.429 -6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.183 -0.151 -7.664 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.439 -2.501 -9.097 1.00 0.00 H new ATOM 0 HH TYR A 39 7.738 -1.892 -10.367 1.00 0.00 H new ATOM 617 N TYR A 40 12.723 0.025 -5.034 1.00 0.00 N ATOM 618 CA TYR A 40 13.849 0.123 -5.956 1.00 0.00 C ATOM 619 C TYR A 40 14.891 -0.951 -5.659 1.00 0.00 C ATOM 620 O TYR A 40 14.687 -1.809 -4.801 1.00 0.00 O ATOM 621 CB TYR A 40 14.489 1.509 -5.867 1.00 0.00 C ATOM 622 CG TYR A 40 14.387 2.136 -4.495 1.00 0.00 C ATOM 623 CD1 TYR A 40 13.157 2.527 -3.979 1.00 0.00 C ATOM 624 CD2 TYR A 40 15.519 2.339 -3.716 1.00 0.00 C ATOM 625 CE1 TYR A 40 13.059 3.102 -2.726 1.00 0.00 C ATOM 626 CE2 TYR A 40 15.430 2.911 -2.462 1.00 0.00 C ATOM 627 CZ TYR A 40 14.198 3.291 -1.971 1.00 0.00 C ATOM 628 OH TYR A 40 14.105 3.862 -0.723 1.00 0.00 O ATOM 0 H TYR A 40 12.984 -0.177 -4.069 1.00 0.00 H new ATOM 0 HA TYR A 40 13.472 -0.031 -6.967 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.540 1.433 -6.145 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.013 2.167 -6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.263 2.379 -4.567 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.485 2.044 -4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.096 3.402 -2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 40 16.320 3.060 -1.869 1.00 0.00 H new ATOM 0 HH TYR A 40 14.998 3.923 -0.324 1.00 0.00 H new ATOM 789 N GLY A 50 8.791 2.837 -10.231 1.00 0.00 N ATOM 790 CA GLY A 50 8.200 1.744 -9.483 1.00 0.00 C ATOM 791 C GLY A 50 7.602 2.199 -8.166 1.00 0.00 C ATOM 792 O GLY A 50 8.092 1.837 -7.096 1.00 0.00 O ATOM 0 HA2 GLY A 50 7.425 1.272 -10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.960 0.986 -9.291 1.00 0.00 H new ATOM 796 N ILE A 51 6.541 2.995 -8.244 1.00 0.00 N ATOM 797 CA ILE A 51 5.876 3.500 -7.050 1.00 0.00 C ATOM 798 C ILE A 51 4.374 3.247 -7.108 1.00 0.00 C ATOM 799 O ILE A 51 3.731 3.500 -8.127 1.00 0.00 O ATOM 800 CB ILE A 51 6.124 5.009 -6.863 1.00 0.00 C ATOM 801 CG1 ILE A 51 5.873 5.413 -5.409 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.236 5.812 -7.802 1.00 0.00 C ATOM 803 CD1 ILE A 51 5.921 6.907 -5.180 1.00 0.00 C ATOM 0 H ILE A 51 6.124 3.304 -9.122 1.00 0.00 H new ATOM 0 HA ILE A 51 6.300 2.962 -6.202 1.00 0.00 H new ATOM 0 HB ILE A 51 7.165 5.224 -7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.898 5.037 -5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.616 4.932 -4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.423 6.876 -7.658 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.459 5.541 -8.834 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.190 5.595 -7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.734 7.120 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.904 7.286 -5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.159 7.393 -5.789 1.00 0.00 H new ATOM 815 N ILE A 52 3.820 2.748 -6.008 1.00 0.00 N ATOM 816 CA ILE A 52 2.393 2.463 -5.933 1.00 0.00 C ATOM 817 C ILE A 52 1.684 3.448 -5.010 1.00 0.00 C ATOM 818 O ILE A 52 1.947 3.511 -3.809 1.00 0.00 O ATOM 819 CB ILE A 52 2.130 1.029 -5.436 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.005 0.033 -6.198 1.00 0.00 C ATOM 821 CG2 ILE A 52 0.658 0.677 -5.590 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.053 -1.339 -5.563 1.00 0.00 C ATOM 0 H ILE A 52 4.338 2.533 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 52 1.997 2.566 -6.943 1.00 0.00 H new ATOM 0 HB ILE A 52 2.388 0.974 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.631 -0.060 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.018 0.429 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.488 -0.339 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.055 1.372 -5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.375 0.746 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.692 -1.993 -6.157 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.455 -1.259 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.047 -1.756 -5.521 1.00 0.00 H new ATOM 834 N PRO A 53 0.760 4.235 -5.582 1.00 0.00 N ATOM 835 CA PRO A 53 -0.008 5.230 -4.828 1.00 0.00 C ATOM 836 C PRO A 53 -1.007 4.588 -3.871 1.00 0.00 C ATOM 837 O PRO A 53 -1.767 3.698 -4.256 1.00 0.00 O ATOM 838 CB PRO A 53 -0.741 6.013 -5.920 1.00 0.00 C ATOM 839 CG PRO A 53 -0.844 5.064 -7.063 1.00 0.00 C ATOM 840 CD PRO A 53 0.395 4.215 -7.008 1.00 0.00 C ATOM 0 HA PRO A 53 0.632 5.847 -4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.726 6.335 -5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.191 6.911 -6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.741 4.451 -6.982 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.909 5.599 -8.010 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.203 3.201 -7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.190 4.624 -7.632 1.00 0.00 H new ATOM 848 N LEU A 54 -1.001 5.044 -2.624 1.00 0.00 N ATOM 849 CA LEU A 54 -1.907 4.514 -1.611 1.00 0.00 C ATOM 850 C LEU A 54 -3.337 4.452 -2.139 1.00 0.00 C ATOM 851 O LEU A 54 -4.114 3.578 -1.754 1.00 0.00 O ATOM 852 CB LEU A 54 -1.854 5.376 -0.349 1.00 0.00 C ATOM 853 CG LEU A 54 -3.018 5.207 0.629 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.875 3.909 1.409 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.095 6.395 1.577 1.00 0.00 C ATOM 0 H LEU A 54 -0.379 5.780 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.585 3.502 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.927 5.155 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.807 6.423 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.945 5.163 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.712 3.806 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.870 3.067 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.941 3.923 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.929 6.258 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.166 6.470 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.245 7.309 1.003 1.00 0.00 H new ATOM 867 N SER A 55 -3.677 5.384 -3.024 1.00 0.00 N ATOM 868 CA SER A 55 -5.014 5.436 -3.604 1.00 0.00 C ATOM 869 C SER A 55 -5.292 4.191 -4.440 1.00 0.00 C ATOM 870 O SER A 55 -6.380 3.619 -4.377 1.00 0.00 O ATOM 871 CB SER A 55 -5.169 6.690 -4.467 1.00 0.00 C ATOM 872 OG SER A 55 -4.136 6.774 -5.434 1.00 0.00 O ATOM 0 H SER A 55 -3.045 6.113 -3.355 1.00 0.00 H new ATOM 0 HA SER A 55 -5.737 5.473 -2.789 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.138 6.675 -4.966 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.151 7.576 -3.833 1.00 0.00 H new ATOM 0 HG SER A 55 -4.258 7.583 -5.974 1.00 0.00 H new ATOM 878 N ALA A 56 -4.301 3.777 -5.222 1.00 0.00 N ATOM 879 CA ALA A 56 -4.438 2.599 -6.070 1.00 0.00 C ATOM 880 C ALA A 56 -4.819 1.373 -5.248 1.00 0.00 C ATOM 881 O ALA A 56 -5.717 0.618 -5.623 1.00 0.00 O ATOM 882 CB ALA A 56 -3.146 2.345 -6.832 1.00 0.00 C ATOM 0 H ALA A 56 -3.394 4.240 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.238 2.787 -6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.262 1.463 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.916 3.208 -7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.333 2.182 -6.125 1.00 0.00 H new ATOM 888 N ILE A 57 -4.132 1.181 -4.127 1.00 0.00 N ATOM 889 CA ILE A 57 -4.400 0.046 -3.252 1.00 0.00 C ATOM 890 C ILE A 57 -5.873 -0.011 -2.861 1.00 0.00 C ATOM 891 O ILE A 57 -6.291 0.611 -1.884 1.00 0.00 O ATOM 892 CB ILE A 57 -3.543 0.105 -1.974 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.056 0.065 -2.329 1.00 0.00 C ATOM 894 CG2 ILE A 57 -3.902 -1.042 -1.042 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.148 0.424 -1.173 1.00 0.00 C ATOM 0 H ILE A 57 -3.386 1.796 -3.803 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.140 -0.852 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.749 1.043 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.802 -0.934 -2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.869 0.752 -3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.288 -0.986 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.954 -0.972 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.722 -1.991 -1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.109 0.375 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.374 1.435 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.306 -0.278 -0.354 1.00 0.00 H new ATOM 907 N SER A 58 -6.656 -0.762 -3.629 1.00 0.00 N ATOM 908 CA SER A 58 -8.083 -0.899 -3.365 1.00 0.00 C ATOM 909 C SER A 58 -8.324 -1.662 -2.066 1.00 0.00 C ATOM 910 O SER A 58 -9.127 -1.249 -1.228 1.00 0.00 O ATOM 911 CB SER A 58 -8.772 -1.617 -4.527 1.00 0.00 C ATOM 912 OG SER A 58 -8.978 -0.738 -5.619 1.00 0.00 O ATOM 0 H SER A 58 -6.325 -1.285 -4.440 1.00 0.00 H new ATOM 0 HA SER A 58 -8.506 0.100 -3.263 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.165 -2.464 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.729 -2.019 -4.194 1.00 0.00 H new ATOM 0 HG SER A 58 -9.418 -1.221 -6.349 1.00 0.00 H new ATOM 918 N THR A 59 -7.622 -2.780 -1.904 1.00 0.00 N ATOM 919 CA THR A 59 -7.758 -3.602 -0.709 1.00 0.00 C ATOM 920 C THR A 59 -6.691 -4.690 -0.665 1.00 0.00 C ATOM 921 O THR A 59 -6.154 -5.089 -1.698 1.00 0.00 O ATOM 922 CB THR A 59 -9.149 -4.261 -0.637 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.478 -4.562 0.724 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.189 -5.534 -1.467 1.00 0.00 C ATOM 0 H THR A 59 -6.953 -3.136 -2.587 1.00 0.00 H new ATOM 0 HA THR A 59 -7.632 -2.939 0.147 1.00 0.00 H new ATOM 0 HB THR A 59 -9.880 -3.560 -1.041 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.364 -4.979 0.762 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.181 -5.981 -1.400 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.967 -5.297 -2.508 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.448 -6.238 -1.089 1.00 0.00 H new ATOM 932 N VAL A 60 -6.388 -5.166 0.538 1.00 0.00 N ATOM 933 CA VAL A 60 -5.385 -6.210 0.717 1.00 0.00 C ATOM 934 C VAL A 60 -5.965 -7.408 1.460 1.00 0.00 C ATOM 935 O VAL A 60 -6.808 -7.254 2.345 1.00 0.00 O ATOM 936 CB VAL A 60 -4.160 -5.685 1.489 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.001 -6.664 1.382 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.757 -4.310 0.977 1.00 0.00 C ATOM 0 H VAL A 60 -6.822 -4.846 1.404 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.071 -6.521 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.428 -5.591 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.145 -6.276 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.297 -7.626 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.729 -6.793 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.890 -3.954 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.507 -4.375 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.585 -3.614 1.112 1.00 0.00 H new ATOM 948 N ARG A 61 -5.508 -8.601 1.096 1.00 0.00 N ATOM 949 CA ARG A 61 -5.982 -9.827 1.727 1.00 0.00 C ATOM 950 C ARG A 61 -4.901 -10.904 1.704 1.00 0.00 C ATOM 951 O ARG A 61 -4.207 -11.079 0.703 1.00 0.00 O ATOM 952 CB ARG A 61 -7.240 -10.336 1.021 1.00 0.00 C ATOM 953 CG ARG A 61 -7.113 -10.379 -0.493 1.00 0.00 C ATOM 954 CD ARG A 61 -8.468 -10.555 -1.161 1.00 0.00 C ATOM 955 NE ARG A 61 -8.829 -11.963 -1.304 1.00 0.00 N ATOM 956 CZ ARG A 61 -9.967 -12.379 -1.849 1.00 0.00 C ATOM 957 NH1 ARG A 61 -10.850 -11.498 -2.300 1.00 0.00 N ATOM 958 NH2 ARG A 61 -10.223 -13.677 -1.944 1.00 0.00 N ATOM 0 H ARG A 61 -4.809 -8.745 0.367 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.223 -9.601 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.472 -11.336 1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.081 -9.696 1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.649 -9.458 -0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.455 -11.199 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.231 -10.043 -0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.452 -10.083 -2.144 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.171 -12.666 -0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.656 -10.499 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.723 -11.819 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.546 -14.357 -1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.097 -13.995 -2.363 1.00 0.00 H new ATOM 972 N VAL A 62 -4.765 -11.622 2.814 1.00 0.00 N ATOM 973 CA VAL A 62 -3.769 -12.682 2.921 1.00 0.00 C ATOM 974 C VAL A 62 -4.005 -13.765 1.875 1.00 0.00 C ATOM 975 O VAL A 62 -5.131 -14.224 1.687 1.00 0.00 O ATOM 976 CB VAL A 62 -3.782 -13.324 4.321 1.00 0.00 C ATOM 977 CG1 VAL A 62 -3.229 -12.357 5.357 1.00 0.00 C ATOM 978 CG2 VAL A 62 -5.189 -13.767 4.691 1.00 0.00 C ATOM 0 H VAL A 62 -5.332 -11.489 3.652 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.796 -12.221 2.749 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.141 -14.206 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.246 -12.828 6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.203 -12.094 5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.841 -11.455 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.179 -14.218 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.854 -12.903 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.544 -14.497 3.964 1.00 0.00 H new ATOM 988 N GLN A 63 -2.935 -14.168 1.197 1.00 0.00 N ATOM 989 CA GLN A 63 -3.027 -15.198 0.169 1.00 0.00 C ATOM 990 C GLN A 63 -1.754 -16.037 0.124 1.00 0.00 C ATOM 991 O GLN A 63 -0.664 -15.517 -0.113 1.00 0.00 O ATOM 992 CB GLN A 63 -3.281 -14.562 -1.199 1.00 0.00 C ATOM 993 CG GLN A 63 -3.443 -15.575 -2.320 1.00 0.00 C ATOM 994 CD GLN A 63 -3.792 -14.928 -3.646 1.00 0.00 C ATOM 995 OE1 GLN A 63 -4.930 -15.007 -4.108 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.811 -14.283 -4.266 1.00 0.00 N ATOM 0 H GLN A 63 -1.996 -13.797 1.341 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.863 -15.851 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.179 -13.947 -1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.453 -13.895 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.518 -16.142 -2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.223 -16.287 -2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.882 -14.243 -3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.986 -13.828 -5.162 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.899 -17.338 0.354 1.00 0.00 N ATOM 1006 CA GLY A 64 -0.753 -18.228 0.335 1.00 0.00 C ATOM 1007 C GLY A 64 -0.057 -18.304 1.679 1.00 0.00 C ATOM 1008 O GLY A 64 -0.591 -17.847 2.690 1.00 0.00 O ATOM 0 H GLY A 64 -2.790 -17.792 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.077 -19.226 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.044 -17.887 -0.419 1.00 0.00 H new ATOM 1012 N ASP A 65 1.138 -18.884 1.693 1.00 0.00 N ATOM 1013 CA ASP A 65 1.909 -19.020 2.924 1.00 0.00 C ATOM 1014 C ASP A 65 2.847 -17.832 3.111 1.00 0.00 C ATOM 1015 O ASP A 65 3.764 -17.621 2.318 1.00 0.00 O ATOM 1016 CB ASP A 65 2.712 -20.322 2.907 1.00 0.00 C ATOM 1017 CG ASP A 65 1.952 -21.462 2.257 1.00 0.00 C ATOM 1018 OD1 ASP A 65 1.969 -21.551 1.012 1.00 0.00 O ATOM 1019 OD2 ASP A 65 1.342 -22.264 2.994 1.00 0.00 O ATOM 0 H ASP A 65 1.594 -19.268 0.865 1.00 0.00 H new ATOM 0 HA ASP A 65 1.211 -19.044 3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.648 -20.161 2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.972 -20.598 3.929 1.00 0.00 H new ATOM 1024 N ASN A 66 2.610 -17.057 4.165 1.00 0.00 N ATOM 1025 CA ASN A 66 3.433 -15.889 4.455 1.00 0.00 C ATOM 1026 C ASN A 66 3.464 -14.936 3.264 1.00 0.00 C ATOM 1027 O ASN A 66 4.522 -14.434 2.884 1.00 0.00 O ATOM 1028 CB ASN A 66 4.856 -16.319 4.816 1.00 0.00 C ATOM 1029 CG ASN A 66 4.880 -17.495 5.773 1.00 0.00 C ATOM 1030 OD1 ASN A 66 4.406 -17.398 6.905 1.00 0.00 O ATOM 1031 ND2 ASN A 66 5.434 -18.614 5.321 1.00 0.00 N ATOM 0 H ASN A 66 1.855 -17.217 4.832 1.00 0.00 H new ATOM 0 HA ASN A 66 2.992 -15.367 5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.394 -16.584 3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.384 -15.478 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.479 -19.439 5.920 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.814 -18.649 4.375 1.00 0.00 H new ATOM 1038 N LYS A 67 2.297 -14.689 2.680 1.00 0.00 N ATOM 1039 CA LYS A 67 2.188 -13.795 1.534 1.00 0.00 C ATOM 1040 C LYS A 67 0.890 -12.995 1.589 1.00 0.00 C ATOM 1041 O LYS A 67 0.019 -13.263 2.417 1.00 0.00 O ATOM 1042 CB LYS A 67 2.251 -14.594 0.230 1.00 0.00 C ATOM 1043 CG LYS A 67 3.639 -15.118 -0.096 1.00 0.00 C ATOM 1044 CD LYS A 67 3.778 -15.450 -1.572 1.00 0.00 C ATOM 1045 CE LYS A 67 3.346 -16.878 -1.865 1.00 0.00 C ATOM 1046 NZ LYS A 67 4.273 -17.874 -1.259 1.00 0.00 N ATOM 0 H LYS A 67 1.412 -15.096 2.982 1.00 0.00 H new ATOM 0 HA LYS A 67 3.026 -13.098 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.560 -15.435 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.908 -13.963 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.385 -14.373 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.841 -16.009 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.175 -14.758 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.814 -15.311 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.339 -17.039 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.304 -17.031 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.198 -18.775 -1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.249 -17.521 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.020 -18.022 -0.261 1.00 0.00 H new ATOM 1060 N PHE A 68 0.768 -12.012 0.703 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.423 -11.173 0.650 1.00 0.00 C ATOM 1062 C PHE A 68 -0.614 -10.586 -0.745 1.00 0.00 C ATOM 1063 O PHE A 68 0.355 -10.267 -1.433 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.325 -10.047 1.682 1.00 0.00 C ATOM 1065 CG PHE A 68 0.845 -9.132 1.460 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.121 -9.513 1.844 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.670 -7.891 0.870 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.201 -8.673 1.641 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.745 -7.048 0.664 1.00 0.00 C ATOM 1070 CZ PHE A 68 3.012 -7.439 1.052 1.00 0.00 C ATOM 0 H PHE A 68 1.480 -11.777 0.012 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.287 -11.796 0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.244 -9.461 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.251 -10.483 2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.274 -10.477 2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.319 -7.579 0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.191 -8.982 1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.595 -6.084 0.200 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.853 -6.780 0.895 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.871 -10.446 -1.155 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.189 -9.898 -2.468 1.00 0.00 C ATOM 1082 C GLU A 69 -2.719 -8.472 -2.349 1.00 0.00 C ATOM 1083 O GLU A 69 -3.722 -8.224 -1.681 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.220 -10.779 -3.177 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.139 -10.712 -4.692 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.268 -11.464 -5.371 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.407 -11.409 -4.862 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -4.012 -12.108 -6.410 1.00 0.00 O ATOM 0 H GLU A 69 -2.685 -10.704 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.272 -9.878 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.082 -11.813 -2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.219 -10.480 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.161 -9.669 -5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.184 -11.124 -5.020 1.00 0.00 H new ATOM 1095 N VAL A 70 -2.035 -7.537 -3.002 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.436 -6.136 -2.971 1.00 0.00 C ATOM 1097 C VAL A 70 -3.141 -5.736 -4.262 1.00 0.00 C ATOM 1098 O VAL A 70 -2.523 -5.673 -5.325 1.00 0.00 O ATOM 1099 CB VAL A 70 -1.224 -5.210 -2.753 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.652 -3.751 -2.796 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.537 -5.534 -1.434 1.00 0.00 C ATOM 0 H VAL A 70 -1.201 -7.725 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.126 -6.023 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.510 -5.378 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.783 -3.112 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.095 -3.530 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.385 -3.564 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.317 -4.871 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.241 -5.395 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.194 -6.569 -1.447 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.439 -5.467 -4.163 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.228 -5.072 -5.323 1.00 0.00 C ATOM 1113 C VAL A 71 -5.047 -3.590 -5.633 1.00 0.00 C ATOM 1114 O VAL A 71 -5.206 -2.737 -4.758 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.726 -5.360 -5.108 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.536 -4.903 -6.311 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.949 -6.840 -4.835 1.00 0.00 C ATOM 0 H VAL A 71 -4.966 -5.516 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.869 -5.663 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.065 -4.798 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.592 -5.115 -6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.400 -3.831 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.198 -5.435 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.013 -7.026 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.594 -7.424 -5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.400 -7.132 -3.940 1.00 0.00 H new ATOM 1127 N THR A 72 -4.713 -3.289 -6.884 1.00 0.00 N ATOM 1128 CA THR A 72 -4.509 -1.910 -7.310 1.00 0.00 C ATOM 1129 C THR A 72 -5.280 -1.610 -8.590 1.00 0.00 C ATOM 1130 O THR A 72 -5.852 -2.509 -9.208 1.00 0.00 O ATOM 1131 CB THR A 72 -3.016 -1.608 -7.540 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.492 -2.474 -8.552 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.224 -1.784 -6.254 1.00 0.00 C ATOM 0 H THR A 72 -4.578 -3.982 -7.620 1.00 0.00 H new ATOM 0 HA THR A 72 -4.881 -1.273 -6.508 1.00 0.00 H new ATOM 0 HB THR A 72 -2.923 -0.572 -7.865 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.589 -2.762 -8.301 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.173 -1.565 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.607 -1.102 -5.495 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.324 -2.811 -5.903 1.00 0.00 H new ATOM 1141 N THR A 73 -5.293 -0.340 -8.985 1.00 0.00 N ATOM 1142 CA THR A 73 -5.994 0.078 -10.192 1.00 0.00 C ATOM 1143 C THR A 73 -5.388 -0.568 -11.432 1.00 0.00 C ATOM 1144 O THR A 73 -6.019 -1.405 -12.077 1.00 0.00 O ATOM 1145 CB THR A 73 -5.963 1.609 -10.357 1.00 0.00 C ATOM 1146 OG1 THR A 73 -6.594 2.236 -9.235 1.00 0.00 O ATOM 1147 CG2 THR A 73 -6.663 2.029 -11.640 1.00 0.00 C ATOM 0 H THR A 73 -4.825 0.417 -8.486 1.00 0.00 H new ATOM 0 HA THR A 73 -7.029 -0.248 -10.086 1.00 0.00 H new ATOM 0 HB THR A 73 -4.921 1.926 -10.410 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.568 3.209 -9.347 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.628 3.114 -11.735 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.161 1.574 -12.494 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.702 1.700 -11.612 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.161 -0.176 -11.758 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.470 -0.718 -12.922 1.00 0.00 C ATOM 1157 C GLN A 74 -3.638 -2.232 -12.999 1.00 0.00 C ATOM 1158 O GLN A 74 -4.279 -2.749 -13.913 1.00 0.00 O ATOM 1159 CB GLN A 74 -1.983 -0.360 -12.872 1.00 0.00 C ATOM 1160 CG GLN A 74 -1.707 1.120 -13.078 1.00 0.00 C ATOM 1161 CD GLN A 74 -0.230 1.420 -13.246 1.00 0.00 C ATOM 1162 OE1 GLN A 74 0.625 0.622 -12.861 1.00 0.00 O ATOM 1163 NE2 GLN A 74 0.077 2.576 -13.824 1.00 0.00 N ATOM 0 H GLN A 74 -3.625 0.515 -11.233 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.913 -0.276 -13.814 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.576 -0.666 -11.908 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.455 -0.930 -13.637 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.247 1.467 -13.959 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.093 1.680 -12.226 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.665 3.207 -14.128 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.054 2.832 -13.964 1.00 0.00 H new ATOM 1172 N ARG A 75 -3.058 -2.936 -12.032 1.00 0.00 N ATOM 1173 CA ARG A 75 -3.143 -4.391 -11.991 1.00 0.00 C ATOM 1174 C ARG A 75 -2.716 -4.922 -10.626 1.00 0.00 C ATOM 1175 O ARG A 75 -1.785 -4.404 -10.009 1.00 0.00 O ATOM 1176 CB ARG A 75 -2.268 -5.005 -13.086 1.00 0.00 C ATOM 1177 CG ARG A 75 -0.814 -4.568 -13.020 1.00 0.00 C ATOM 1178 CD ARG A 75 -0.005 -5.462 -12.093 1.00 0.00 C ATOM 1179 NE ARG A 75 0.515 -6.639 -12.783 1.00 0.00 N ATOM 1180 CZ ARG A 75 -0.096 -7.818 -12.789 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -1.245 -7.976 -12.145 1.00 0.00 N ATOM 1182 NH2 ARG A 75 0.440 -8.842 -13.441 1.00 0.00 N ATOM 0 H ARG A 75 -2.525 -2.523 -11.267 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.181 -4.675 -12.163 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.316 -6.091 -13.011 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.676 -4.734 -14.060 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.380 -4.591 -14.020 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.758 -3.536 -12.672 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.824 -4.893 -11.673 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.630 -5.778 -11.258 1.00 0.00 H new ATOM 0 HE ARG A 75 1.397 -6.551 -13.288 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.661 -7.191 -11.644 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.713 -8.883 -12.151 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.323 -8.724 -13.939 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.031 -9.747 -13.445 1.00 0.00 H new ATOM 1196 N THR A 76 -3.403 -5.960 -10.159 1.00 0.00 N ATOM 1197 CA THR A 76 -3.097 -6.561 -8.867 1.00 0.00 C ATOM 1198 C THR A 76 -1.619 -6.920 -8.765 1.00 0.00 C ATOM 1199 O THR A 76 -1.009 -7.366 -9.737 1.00 0.00 O ATOM 1200 CB THR A 76 -3.939 -7.827 -8.622 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.333 -7.515 -8.721 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.642 -8.418 -7.252 1.00 0.00 C ATOM 0 H THR A 76 -4.176 -6.402 -10.657 1.00 0.00 H new ATOM 0 HA THR A 76 -3.342 -5.819 -8.107 1.00 0.00 H new ATOM 0 HB THR A 76 -3.677 -8.563 -9.382 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.861 -8.326 -8.566 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.248 -9.311 -7.102 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.586 -8.682 -7.191 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.878 -7.685 -6.481 1.00 0.00 H new ATOM 1210 N PHE A 77 -1.048 -6.725 -7.581 1.00 0.00 N ATOM 1211 CA PHE A 77 0.360 -7.028 -7.351 1.00 0.00 C ATOM 1212 C PHE A 77 0.517 -8.107 -6.284 1.00 0.00 C ATOM 1213 O PHE A 77 -0.400 -8.361 -5.502 1.00 0.00 O ATOM 1214 CB PHE A 77 1.114 -5.765 -6.930 1.00 0.00 C ATOM 1215 CG PHE A 77 1.224 -4.740 -8.022 1.00 0.00 C ATOM 1216 CD1 PHE A 77 2.295 -4.758 -8.901 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.257 -3.759 -8.170 1.00 0.00 C ATOM 1218 CE1 PHE A 77 2.399 -3.815 -9.907 1.00 0.00 C ATOM 1219 CE2 PHE A 77 0.355 -2.814 -9.174 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.427 -2.843 -10.044 1.00 0.00 C ATOM 0 H PHE A 77 -1.539 -6.358 -6.765 1.00 0.00 H new ATOM 0 HA PHE A 77 0.782 -7.400 -8.284 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.609 -5.319 -6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.115 -6.042 -6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 77 3.057 -5.517 -8.799 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.584 -3.732 -7.493 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.239 -3.838 -10.585 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.406 -2.054 -9.278 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.505 -2.107 -10.830 1.00 0.00 H new ATOM 1230 N VAL A 78 1.686 -8.740 -6.258 1.00 0.00 N ATOM 1231 CA VAL A 78 1.964 -9.792 -5.288 1.00 0.00 C ATOM 1232 C VAL A 78 3.303 -9.561 -4.596 1.00 0.00 C ATOM 1233 O VAL A 78 4.344 -9.472 -5.248 1.00 0.00 O ATOM 1234 CB VAL A 78 1.975 -11.181 -5.953 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.156 -12.272 -4.908 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.697 -11.400 -6.749 1.00 0.00 C ATOM 0 H VAL A 78 2.455 -8.542 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 78 1.165 -9.759 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 78 2.818 -11.228 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.161 -13.246 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.101 -12.123 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.335 -12.230 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.721 -12.386 -7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.163 -11.333 -6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.616 -10.637 -7.523 1.00 0.00 H new ATOM 1246 N PHE A 79 3.270 -9.465 -3.271 1.00 0.00 N ATOM 1247 CA PHE A 79 4.481 -9.244 -2.490 1.00 0.00 C ATOM 1248 C PHE A 79 4.679 -10.358 -1.466 1.00 0.00 C ATOM 1249 O PHE A 79 3.730 -10.789 -0.811 1.00 0.00 O ATOM 1250 CB PHE A 79 4.416 -7.890 -1.781 1.00 0.00 C ATOM 1251 CG PHE A 79 4.534 -6.718 -2.713 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.726 -6.455 -3.369 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.453 -5.879 -2.933 1.00 0.00 C ATOM 1254 CE1 PHE A 79 5.838 -5.378 -4.228 1.00 0.00 C ATOM 1255 CE2 PHE A 79 3.559 -4.801 -3.791 1.00 0.00 C ATOM 1256 CZ PHE A 79 4.753 -4.549 -4.439 1.00 0.00 C ATOM 0 H PHE A 79 2.417 -9.537 -2.716 1.00 0.00 H new ATOM 0 HA PHE A 79 5.330 -9.248 -3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.474 -7.818 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.215 -7.838 -1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.578 -7.099 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.517 -6.070 -2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.773 -5.185 -4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.709 -4.156 -3.955 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.838 -3.706 -5.109 1.00 0.00 H new ATOM 1266 N ARG A 80 5.918 -10.820 -1.336 1.00 0.00 N ATOM 1267 CA ARG A 80 6.241 -11.884 -0.394 1.00 0.00 C ATOM 1268 C ARG A 80 7.192 -11.383 0.689 1.00 0.00 C ATOM 1269 O ARG A 80 7.906 -10.399 0.496 1.00 0.00 O ATOM 1270 CB ARG A 80 6.868 -13.071 -1.128 1.00 0.00 C ATOM 1271 CG ARG A 80 7.737 -13.947 -0.240 1.00 0.00 C ATOM 1272 CD ARG A 80 8.309 -15.127 -1.010 1.00 0.00 C ATOM 1273 NE ARG A 80 8.786 -16.182 -0.120 1.00 0.00 N ATOM 1274 CZ ARG A 80 9.984 -16.174 0.453 1.00 0.00 C ATOM 1275 NH1 ARG A 80 10.823 -15.172 0.231 1.00 0.00 N ATOM 1276 NH2 ARG A 80 10.345 -17.171 1.251 1.00 0.00 N ATOM 0 H ARG A 80 6.714 -10.474 -1.871 1.00 0.00 H new ATOM 0 HA ARG A 80 5.315 -12.207 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.074 -13.681 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.470 -12.698 -1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.551 -13.352 0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.148 -14.311 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.545 -15.531 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.130 -14.785 -1.640 1.00 0.00 H new ATOM 0 HE ARG A 80 8.165 -16.968 0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.549 -14.404 -0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.742 -15.169 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.702 -17.944 1.424 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.265 -17.165 1.691 1.00 0.00 H new ATOM 1290 N VAL A 81 7.195 -12.066 1.830 1.00 0.00 N ATOM 1291 CA VAL A 81 8.058 -11.690 2.943 1.00 0.00 C ATOM 1292 C VAL A 81 8.888 -12.876 3.420 1.00 0.00 C ATOM 1293 O VAL A 81 8.606 -14.023 3.072 1.00 0.00 O ATOM 1294 CB VAL A 81 7.240 -11.141 4.127 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.622 -9.798 3.772 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.168 -12.138 4.541 1.00 0.00 C ATOM 0 H VAL A 81 6.609 -12.882 2.007 1.00 0.00 H new ATOM 0 HA VAL A 81 8.724 -10.908 2.577 1.00 0.00 H new ATOM 0 HB VAL A 81 7.912 -10.992 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.048 -9.426 4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.412 -9.087 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.963 -9.917 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.600 -11.734 5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.497 -12.320 3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.638 -13.075 4.840 1.00 0.00 H new ATOM 1306 N GLU A 82 9.913 -12.593 4.218 1.00 0.00 N ATOM 1307 CA GLU A 82 10.784 -13.638 4.743 1.00 0.00 C ATOM 1308 C GLU A 82 10.262 -14.163 6.077 1.00 0.00 C ATOM 1309 O GLU A 82 10.720 -15.192 6.575 1.00 0.00 O ATOM 1310 CB GLU A 82 12.209 -13.106 4.914 1.00 0.00 C ATOM 1311 CG GLU A 82 13.046 -13.191 3.649 1.00 0.00 C ATOM 1312 CD GLU A 82 14.522 -12.965 3.911 1.00 0.00 C ATOM 1313 OE1 GLU A 82 15.178 -13.885 4.442 1.00 0.00 O ATOM 1314 OE2 GLU A 82 15.022 -11.868 3.584 1.00 0.00 O ATOM 0 H GLU A 82 10.160 -11.649 4.515 1.00 0.00 H new ATOM 0 HA GLU A 82 10.794 -14.461 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.163 -12.067 5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.705 -13.667 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.908 -14.171 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.690 -12.451 2.932 1.00 0.00 H new ATOM 1321 N LYS A 83 9.299 -13.450 6.651 1.00 0.00 N ATOM 1322 CA LYS A 83 8.712 -13.843 7.926 1.00 0.00 C ATOM 1323 C LYS A 83 7.220 -13.529 7.958 1.00 0.00 C ATOM 1324 O LYS A 83 6.778 -12.515 7.419 1.00 0.00 O ATOM 1325 CB LYS A 83 9.419 -13.126 9.079 1.00 0.00 C ATOM 1326 CG LYS A 83 10.842 -13.604 9.311 1.00 0.00 C ATOM 1327 CD LYS A 83 11.616 -12.642 10.196 1.00 0.00 C ATOM 1328 CE LYS A 83 11.098 -12.658 11.626 1.00 0.00 C ATOM 1329 NZ LYS A 83 11.736 -11.603 12.460 1.00 0.00 N ATOM 0 H LYS A 83 8.908 -12.596 6.253 1.00 0.00 H new ATOM 0 HA LYS A 83 8.842 -14.919 8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.433 -12.055 8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.843 -13.270 9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.824 -14.591 9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.352 -13.709 8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.673 -12.909 10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.539 -11.633 9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.018 -12.514 11.622 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.287 -13.635 12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.356 -11.648 13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.765 -11.755 12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.534 -10.668 12.052 1.00 0.00 H new ATOM 1343 N GLU A 84 6.449 -14.406 8.594 1.00 0.00 N ATOM 1344 CA GLU A 84 5.006 -14.220 8.696 1.00 0.00 C ATOM 1345 C GLU A 84 4.674 -12.878 9.343 1.00 0.00 C ATOM 1346 O GLU A 84 3.872 -12.107 8.817 1.00 0.00 O ATOM 1347 CB GLU A 84 4.379 -15.358 9.505 1.00 0.00 C ATOM 1348 CG GLU A 84 3.058 -14.985 10.156 1.00 0.00 C ATOM 1349 CD GLU A 84 3.236 -14.395 11.542 1.00 0.00 C ATOM 1350 OE1 GLU A 84 4.027 -14.956 12.328 1.00 0.00 O ATOM 1351 OE2 GLU A 84 2.585 -13.372 11.840 1.00 0.00 O ATOM 0 H GLU A 84 6.799 -15.251 9.046 1.00 0.00 H new ATOM 0 HA GLU A 84 4.592 -14.229 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.222 -16.215 8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.080 -15.672 10.279 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.536 -14.267 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.426 -15.871 10.221 1.00 0.00 H new ATOM 1358 N GLU A 85 5.296 -12.609 10.486 1.00 0.00 N ATOM 1359 CA GLU A 85 5.065 -11.361 11.205 1.00 0.00 C ATOM 1360 C GLU A 85 5.130 -10.167 10.257 1.00 0.00 C ATOM 1361 O GLU A 85 4.311 -9.253 10.338 1.00 0.00 O ATOM 1362 CB GLU A 85 6.095 -11.194 12.324 1.00 0.00 C ATOM 1363 CG GLU A 85 5.875 -12.133 13.499 1.00 0.00 C ATOM 1364 CD GLU A 85 6.443 -11.588 14.795 1.00 0.00 C ATOM 1365 OE1 GLU A 85 7.657 -11.300 14.837 1.00 0.00 O ATOM 1366 OE2 GLU A 85 5.672 -11.449 15.768 1.00 0.00 O ATOM 0 H GLU A 85 5.963 -13.237 10.934 1.00 0.00 H new ATOM 0 HA GLU A 85 4.067 -11.402 11.642 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.092 -11.362 11.917 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.067 -10.165 12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.807 -12.312 13.622 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.336 -13.096 13.281 1.00 0.00 H new ATOM 1373 N GLU A 86 6.110 -10.184 9.359 1.00 0.00 N ATOM 1374 CA GLU A 86 6.283 -9.103 8.396 1.00 0.00 C ATOM 1375 C GLU A 86 5.027 -8.924 7.548 1.00 0.00 C ATOM 1376 O GLU A 86 4.579 -7.802 7.312 1.00 0.00 O ATOM 1377 CB GLU A 86 7.487 -9.380 7.494 1.00 0.00 C ATOM 1378 CG GLU A 86 8.815 -8.969 8.106 1.00 0.00 C ATOM 1379 CD GLU A 86 10.003 -9.406 7.271 1.00 0.00 C ATOM 1380 OE1 GLU A 86 10.378 -10.595 7.351 1.00 0.00 O ATOM 1381 OE2 GLU A 86 10.557 -8.560 6.539 1.00 0.00 O ATOM 0 H GLU A 86 6.796 -10.934 9.278 1.00 0.00 H new ATOM 0 HA GLU A 86 6.460 -8.182 8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.518 -10.444 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.352 -8.851 6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.837 -7.886 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.899 -9.399 9.104 1.00 0.00 H new ATOM 1388 N ARG A 87 4.465 -10.038 7.091 1.00 0.00 N ATOM 1389 CA ARG A 87 3.263 -10.006 6.267 1.00 0.00 C ATOM 1390 C ARG A 87 2.148 -9.231 6.964 1.00 0.00 C ATOM 1391 O ARG A 87 1.723 -8.177 6.493 1.00 0.00 O ATOM 1392 CB ARG A 87 2.794 -11.428 5.956 1.00 0.00 C ATOM 1393 CG ARG A 87 1.462 -11.483 5.226 1.00 0.00 C ATOM 1394 CD ARG A 87 0.717 -12.776 5.523 1.00 0.00 C ATOM 1395 NE ARG A 87 0.160 -12.789 6.873 1.00 0.00 N ATOM 1396 CZ ARG A 87 -0.295 -13.885 7.470 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -0.259 -15.050 6.839 1.00 0.00 N ATOM 1398 NH2 ARG A 87 -0.787 -13.816 8.700 1.00 0.00 N ATOM 0 H ARG A 87 4.823 -10.975 7.278 1.00 0.00 H new ATOM 0 HA ARG A 87 3.506 -9.499 5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.551 -11.927 5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.711 -11.987 6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.848 -10.632 5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.630 -11.397 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.087 -12.906 4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.395 -13.621 5.402 1.00 0.00 H new ATOM 0 HE ARG A 87 0.118 -11.908 7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.119 -15.106 5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.609 -15.890 7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.816 -12.921 9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.136 -14.658 9.158 1.00 0.00 H new ATOM 1412 N ASN A 88 1.677 -9.763 8.087 1.00 0.00 N ATOM 1413 CA ASN A 88 0.611 -9.123 8.848 1.00 0.00 C ATOM 1414 C ASN A 88 0.930 -7.653 9.101 1.00 0.00 C ATOM 1415 O ASN A 88 0.054 -6.792 9.011 1.00 0.00 O ATOM 1416 CB ASN A 88 0.400 -9.847 10.180 1.00 0.00 C ATOM 1417 CG ASN A 88 1.299 -9.311 11.278 1.00 0.00 C ATOM 1418 OD1 ASN A 88 1.200 -8.146 11.663 1.00 0.00 O ATOM 1419 ND2 ASN A 88 2.183 -10.161 11.787 1.00 0.00 N ATOM 0 H ASN A 88 2.017 -10.636 8.490 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.306 -9.182 8.261 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.642 -9.745 10.485 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.590 -10.912 10.046 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.815 -9.857 12.528 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.230 -11.118 11.437 1.00 0.00 H new ATOM 1426 N ASP A 89 2.189 -7.372 9.416 1.00 0.00 N ATOM 1427 CA ASP A 89 2.625 -6.006 9.680 1.00 0.00 C ATOM 1428 C ASP A 89 2.354 -5.107 8.477 1.00 0.00 C ATOM 1429 O ASP A 89 1.681 -4.083 8.594 1.00 0.00 O ATOM 1430 CB ASP A 89 4.115 -5.981 10.025 1.00 0.00 C ATOM 1431 CG ASP A 89 4.374 -6.260 11.493 1.00 0.00 C ATOM 1432 OD1 ASP A 89 3.514 -6.898 12.135 1.00 0.00 O ATOM 1433 OD2 ASP A 89 5.436 -5.841 11.999 1.00 0.00 O ATOM 0 H ASP A 89 2.926 -8.072 9.495 1.00 0.00 H new ATOM 0 HA ASP A 89 2.057 -5.627 10.530 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.638 -6.722 9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.529 -5.007 9.765 1.00 0.00 H new ATOM 1438 N TRP A 90 2.884 -5.497 7.323 1.00 0.00 N ATOM 1439 CA TRP A 90 2.699 -4.725 6.099 1.00 0.00 C ATOM 1440 C TRP A 90 1.224 -4.422 5.863 1.00 0.00 C ATOM 1441 O TRP A 90 0.820 -3.260 5.814 1.00 0.00 O ATOM 1442 CB TRP A 90 3.275 -5.484 4.902 1.00 0.00 C ATOM 1443 CG TRP A 90 4.758 -5.328 4.757 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.711 -6.272 5.014 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.458 -4.157 4.321 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.961 -5.758 4.765 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.833 -4.463 4.338 1.00 0.00 C ATOM 1448 CE3 TRP A 90 5.057 -2.881 3.917 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.805 -3.538 3.968 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 6.023 -1.964 3.550 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.384 -2.296 3.577 1.00 0.00 C ATOM 0 H TRP A 90 3.444 -6.342 7.209 1.00 0.00 H new ATOM 0 HA TRP A 90 3.230 -3.780 6.211 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.037 -6.543 5.004 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.789 -5.134 3.991 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.512 -7.275 5.362 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.842 -6.260 4.880 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.010 -2.616 3.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.855 -3.792 3.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.724 -0.975 3.237 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.115 -1.557 3.283 1.00 0.00 H new ATOM 1462 N ILE A 91 0.424 -5.474 5.718 1.00 0.00 N ATOM 1463 CA ILE A 91 -1.007 -5.318 5.489 1.00 0.00 C ATOM 1464 C ILE A 91 -1.627 -4.367 6.507 1.00 0.00 C ATOM 1465 O ILE A 91 -2.346 -3.437 6.144 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.738 -6.672 5.557 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.215 -7.614 4.470 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.239 -6.471 5.415 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -1.737 -9.028 4.594 1.00 0.00 C ATOM 0 H ILE A 91 0.743 -6.442 5.755 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.123 -4.901 4.489 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.543 -7.126 6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.492 -7.218 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.126 -7.633 4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.742 -7.437 5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.599 -5.833 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.454 -5.999 4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.325 -9.640 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.438 -9.443 5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.825 -9.022 4.524 1.00 0.00 H new ATOM 1481 N SER A 92 -1.341 -4.606 7.783 1.00 0.00 N ATOM 1482 CA SER A 92 -1.872 -3.772 8.854 1.00 0.00 C ATOM 1483 C SER A 92 -1.597 -2.296 8.580 1.00 0.00 C ATOM 1484 O SER A 92 -2.501 -1.463 8.648 1.00 0.00 O ATOM 1485 CB SER A 92 -1.258 -4.176 10.196 1.00 0.00 C ATOM 1486 OG SER A 92 -1.676 -5.475 10.578 1.00 0.00 O ATOM 0 H SER A 92 -0.745 -5.370 8.100 1.00 0.00 H new ATOM 0 HA SER A 92 -2.951 -3.921 8.896 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.171 -4.147 10.125 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.547 -3.457 10.963 1.00 0.00 H new ATOM 0 HG SER A 92 -1.007 -6.131 10.292 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.344 -1.981 8.271 1.00 0.00 N ATOM 1493 CA ILE A 93 0.050 -0.607 7.986 1.00 0.00 C ATOM 1494 C ILE A 93 -0.781 -0.022 6.850 1.00 0.00 C ATOM 1495 O ILE A 93 -1.391 1.039 6.995 1.00 0.00 O ATOM 1496 CB ILE A 93 1.542 -0.515 7.616 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.409 -1.024 8.769 1.00 0.00 C ATOM 1498 CG2 ILE A 93 1.912 0.917 7.260 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.813 -1.401 8.350 1.00 0.00 C ATOM 0 H ILE A 93 0.416 -2.659 8.212 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.127 -0.032 8.895 1.00 0.00 H new ATOM 0 HB ILE A 93 1.724 -1.144 6.745 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.463 -0.255 9.539 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.927 -1.892 9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.970 0.966 7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.314 1.247 6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.717 1.566 8.114 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.370 -1.753 9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.769 -2.193 7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.313 -0.530 7.927 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.804 -0.719 5.720 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.563 -0.270 4.558 1.00 0.00 C ATOM 1513 C LEU A 94 -3.008 0.035 4.937 1.00 0.00 C ATOM 1514 O LEU A 94 -3.506 1.135 4.692 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.525 -1.332 3.458 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.139 -1.697 2.924 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.216 -2.934 2.043 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.461 -0.528 2.156 1.00 0.00 C ATOM 0 H LEU A 94 -0.305 -1.598 5.583 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.103 0.646 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.996 -2.238 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.134 -0.984 2.623 1.00 0.00 H new ATOM 0 HG LEU A 94 0.510 -1.920 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.779 -3.179 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.603 -3.771 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.880 -2.740 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.447 -0.805 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.186 -0.274 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.552 0.333 2.818 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.677 -0.944 5.536 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.065 -0.779 5.952 1.00 0.00 C ATOM 1532 C LEU A 95 -5.241 0.494 6.774 1.00 0.00 C ATOM 1533 O LEU A 95 -6.195 1.244 6.577 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.522 -1.992 6.765 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.905 -3.234 5.960 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -5.804 -4.482 6.823 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -7.309 -3.089 5.391 1.00 0.00 C ATOM 0 H LEU A 95 -3.281 -1.860 5.744 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.679 -0.697 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.723 -2.263 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.380 -1.697 7.370 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.206 -3.334 5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.080 -5.356 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.781 -4.595 7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.478 -4.391 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.565 -3.982 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.021 -2.963 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.348 -2.218 4.737 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.312 0.731 7.694 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.363 1.914 8.545 1.00 0.00 C ATOM 1551 C ASN A 96 -4.400 3.187 7.705 1.00 0.00 C ATOM 1552 O ASN A 96 -5.173 4.104 7.983 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.156 1.945 9.484 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.358 2.887 10.655 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -4.439 2.943 11.241 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -2.316 3.634 11.000 1.00 0.00 N ATOM 0 H ASN A 96 -3.515 0.119 7.869 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.276 1.864 9.139 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.965 0.939 9.859 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.272 2.250 8.924 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.393 4.287 11.779 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.439 3.554 10.486 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.561 3.235 6.676 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.499 4.394 5.793 1.00 0.00 C ATOM 1565 C ALA A 97 -4.833 4.617 5.088 1.00 0.00 C ATOM 1566 O ALA A 97 -5.333 5.741 5.025 1.00 0.00 O ATOM 1567 CB ALA A 97 -2.383 4.222 4.774 1.00 0.00 C ATOM 0 H ALA A 97 -2.914 2.485 6.433 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.287 5.273 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.348 5.094 4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.430 4.118 5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.570 3.330 4.177 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.404 3.542 4.557 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.680 3.621 3.855 1.00 0.00 C ATOM 1575 C LEU A 98 -7.742 4.281 4.728 1.00 0.00 C ATOM 1576 O LEU A 98 -8.560 5.064 4.245 1.00 0.00 O ATOM 1577 CB LEU A 98 -7.142 2.223 3.438 1.00 0.00 C ATOM 1578 CG LEU A 98 -6.420 1.607 2.239 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -6.837 0.156 2.054 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -6.700 2.410 0.977 1.00 0.00 C ATOM 0 H LEU A 98 -5.003 2.605 4.599 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.539 4.232 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.024 1.554 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.207 2.267 3.212 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.347 1.634 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.314 -0.266 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.584 -0.412 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.912 0.105 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.178 1.957 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.772 2.415 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.351 3.434 1.112 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.723 3.961 6.017 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.682 4.525 6.960 1.00 0.00 C ATOM 1594 C LYS A 99 -8.612 6.048 6.961 1.00 0.00 C ATOM 1595 O LYS A 99 -9.557 6.722 7.373 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.417 3.991 8.370 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.410 2.474 8.455 1.00 0.00 C ATOM 1598 CD LYS A 99 -9.798 1.926 8.742 1.00 0.00 C ATOM 1599 CE LYS A 99 -10.203 2.164 10.188 1.00 0.00 C ATOM 1600 NZ LYS A 99 -11.654 1.910 10.407 1.00 0.00 N ATOM 0 H LYS A 99 -7.054 3.314 6.433 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.682 4.225 6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.456 4.370 8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.178 4.381 9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.040 2.058 7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.723 2.156 9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.521 2.399 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.820 0.857 8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.618 1.515 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.968 3.191 10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.890 2.083 11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.213 2.546 9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.874 0.923 10.166 1.00 0.00 H new ATOM 1614 N SER A 100 -7.489 6.585 6.495 1.00 0.00 N ATOM 1615 CA SER A 100 -7.296 8.030 6.445 1.00 0.00 C ATOM 1616 C SER A 100 -8.027 8.634 5.250 1.00 0.00 C ATOM 1617 O SER A 100 -8.783 9.595 5.392 1.00 0.00 O ATOM 1618 CB SER A 100 -5.805 8.364 6.367 1.00 0.00 C ATOM 1619 OG SER A 100 -5.592 9.763 6.430 1.00 0.00 O ATOM 0 H SER A 100 -6.699 6.042 6.147 1.00 0.00 H new ATOM 0 HA SER A 100 -7.710 8.459 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.276 7.875 7.185 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.389 7.971 5.439 1.00 0.00 H new ATOM 0 HG SER A 100 -4.631 9.950 6.380 1.00 0.00 H new