USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 802 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HD1:sc= -1.71 K(o=-1.2,f=-2.7!) USER MOD Set 1.2: A 98 ASN : amide:sc= 0.491 K(o=-1.2,f=-3.1) USER MOD Set 2.1: A 82 CYS SG : rot 167:sc= 0.636 USER MOD Set 2.2: A 86 ASN : amide:sc= -7.09! C(o=-6.5!,f=-3.3!) USER MOD Set 3.1: A 51 MET CE :methyl -173:sc= -1.36 (180deg=-0.142) USER MOD Set 3.2: A 59 LYS NZ :NH3+ -128:sc= 0.0699 (180deg=-0.107) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -107:sc= -1.87 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -143:sc= -0.736 (180deg=-3.87!) USER MOD Single : A 20 THR OG1 : rot 72:sc= 0.528 USER MOD Single : A 22 MET CE :methyl 156:sc= -2.04 (180deg=-3.09) USER MOD Single : A 24 THR OG1 : rot -6:sc= 1.09 USER MOD Single : A 36 ASN : amide:sc= -0.775 X(o=-0.77,f=-0.77) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0173 (180deg=-0.201) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0174 (180deg=-0.19) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -0.115 (180deg=-0.484) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 82:sc= 0.0184 USER MOD Single : A 62 SER OG : rot 93:sc= 0.218 USER MOD Single : A 64 GLN : amide:sc= -2.47! C(o=-2.5!,f=-5.5!) USER MOD Single : A 65 TYR OH : rot 21:sc= -0.304 USER MOD Single : A 67 ASN : amide:sc= -1.44 K(o=-1.4,f=-2) USER MOD Single : A 70 THR OG1 : rot -35:sc= 0.0121 USER MOD Single : A 81 ASN : amide:sc= -4.02! C(o=-4!,f=-19!) USER MOD Single : A 84 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=-0.11) USER MOD Single : A 99 MET CE :methyl -170:sc= -0.968 (180deg=-1.34) USER MOD Single : A 101 LYS NZ :NH3+ 153:sc=-0.00168 (180deg=-0.84) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 62:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -2.458 18.595 10.118 1.00 0.00 N ATOM 90 CA LYS A 10 -3.839 18.341 9.725 1.00 0.00 C ATOM 91 C LYS A 10 -3.897 17.519 8.442 1.00 0.00 C ATOM 92 O LYS A 10 -4.397 16.394 8.437 1.00 0.00 O ATOM 93 CB LYS A 10 -4.587 19.663 9.531 1.00 0.00 C ATOM 94 CG LYS A 10 -6.084 19.492 9.345 1.00 0.00 C ATOM 95 CD LYS A 10 -6.689 20.665 8.591 1.00 0.00 C ATOM 96 CE LYS A 10 -8.204 20.695 8.730 1.00 0.00 C ATOM 97 NZ LYS A 10 -8.758 22.051 8.463 1.00 0.00 N ATOM 0 HA LYS A 10 -4.319 17.772 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.407 20.303 10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.178 20.178 8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.281 18.568 8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.564 19.397 10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.269 21.597 8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.420 20.599 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.647 19.979 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.483 20.380 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.793 22.030 8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.355 22.730 9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.514 22.341 7.495 1.00 0.00 H new ATOM 111 N ASP A 11 -3.383 18.087 7.357 1.00 0.00 N ATOM 112 CA ASP A 11 -3.374 17.404 6.068 1.00 0.00 C ATOM 113 C ASP A 11 -2.908 15.960 6.221 1.00 0.00 C ATOM 114 O ASP A 11 -3.510 15.040 5.665 1.00 0.00 O ATOM 115 CB ASP A 11 -2.469 18.144 5.081 1.00 0.00 C ATOM 116 CG ASP A 11 -1.000 17.841 5.305 1.00 0.00 C ATOM 117 OD1 ASP A 11 -0.550 16.751 4.894 1.00 0.00 O ATOM 118 OD2 ASP A 11 -0.302 18.695 5.889 1.00 0.00 O ATOM 0 H ASP A 11 -2.967 19.018 7.344 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.393 17.398 5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.743 17.867 4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.634 19.217 5.175 1.00 0.00 H new ATOM 123 N LEU A 12 -1.832 15.768 6.976 1.00 0.00 N ATOM 124 CA LEU A 12 -1.284 14.435 7.201 1.00 0.00 C ATOM 125 C LEU A 12 -2.268 13.565 7.976 1.00 0.00 C ATOM 126 O LEU A 12 -2.557 12.435 7.582 1.00 0.00 O ATOM 127 CB LEU A 12 0.040 14.529 7.962 1.00 0.00 C ATOM 128 CG LEU A 12 1.272 14.875 7.125 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.504 14.986 8.009 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.487 13.835 6.035 1.00 0.00 C ATOM 0 H LEU A 12 -1.322 16.518 7.443 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.107 13.973 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.066 15.281 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.219 13.575 8.459 1.00 0.00 H new ATOM 0 HG LEU A 12 1.104 15.841 6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.371 15.233 7.396 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.350 15.769 8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.676 14.036 8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.368 14.098 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.633 12.856 6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.614 13.805 5.383 1.00 0.00 H new ATOM 142 N ALA A 13 -2.781 14.100 9.079 1.00 0.00 N ATOM 143 CA ALA A 13 -3.737 13.374 9.907 1.00 0.00 C ATOM 144 C ALA A 13 -4.711 12.575 9.048 1.00 0.00 C ATOM 145 O ALA A 13 -5.036 11.429 9.363 1.00 0.00 O ATOM 146 CB ALA A 13 -4.493 14.339 10.809 1.00 0.00 C ATOM 0 H ALA A 13 -2.551 15.033 9.420 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.182 12.672 10.529 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.203 13.784 11.422 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.788 14.862 11.455 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.030 15.064 10.197 1.00 0.00 H new ATOM 152 N LEU A 14 -5.176 13.186 7.964 1.00 0.00 N ATOM 153 CA LEU A 14 -6.114 12.531 7.060 1.00 0.00 C ATOM 154 C LEU A 14 -5.470 11.323 6.387 1.00 0.00 C ATOM 155 O LEU A 14 -6.054 10.240 6.343 1.00 0.00 O ATOM 156 CB LEU A 14 -6.605 13.519 6.000 1.00 0.00 C ATOM 157 CG LEU A 14 -7.572 14.599 6.485 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.554 15.793 5.543 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.980 14.038 6.610 1.00 0.00 C ATOM 0 H LEU A 14 -4.919 14.134 7.690 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.965 12.185 7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.737 14.009 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.091 12.955 5.204 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.248 14.934 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.248 16.552 5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.548 16.211 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.853 15.473 4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.654 14.821 6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.315 13.675 5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.982 13.215 7.325 1.00 0.00 H new ATOM 171 N CYS A 15 -4.263 11.517 5.867 1.00 0.00 N ATOM 172 CA CYS A 15 -3.538 10.443 5.197 1.00 0.00 C ATOM 173 C CYS A 15 -3.590 9.158 6.017 1.00 0.00 C ATOM 174 O CYS A 15 -3.782 8.070 5.474 1.00 0.00 O ATOM 175 CB CYS A 15 -2.084 10.852 4.959 1.00 0.00 C ATOM 176 SG CYS A 15 -1.889 12.296 3.889 1.00 0.00 S ATOM 0 H CYS A 15 -3.766 12.407 5.896 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.018 10.259 4.236 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.614 11.060 5.920 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.549 10.011 4.518 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.441 11.919 2.728 1.00 0.00 H new ATOM 182 N SER A 16 -3.418 9.292 7.328 1.00 0.00 N ATOM 183 CA SER A 16 -3.439 8.141 8.224 1.00 0.00 C ATOM 184 C SER A 16 -4.752 7.374 8.091 1.00 0.00 C ATOM 185 O SER A 16 -4.767 6.144 8.097 1.00 0.00 O ATOM 186 CB SER A 16 -3.242 8.591 9.673 1.00 0.00 C ATOM 187 OG SER A 16 -3.333 7.494 10.564 1.00 0.00 O ATOM 0 H SER A 16 -3.263 10.186 7.794 1.00 0.00 H new ATOM 0 HA SER A 16 -2.620 7.478 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.269 9.070 9.779 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.994 9.337 9.931 1.00 0.00 H new ATOM 0 HG SER A 16 -3.202 7.807 11.483 1.00 0.00 H new ATOM 193 N MET A 17 -5.851 8.112 7.973 1.00 0.00 N ATOM 194 CA MET A 17 -7.169 7.502 7.838 1.00 0.00 C ATOM 195 C MET A 17 -7.229 6.605 6.605 1.00 0.00 C ATOM 196 O MET A 17 -7.336 5.384 6.720 1.00 0.00 O ATOM 197 CB MET A 17 -8.248 8.583 7.749 1.00 0.00 C ATOM 198 CG MET A 17 -8.128 9.650 8.825 1.00 0.00 C ATOM 199 SD MET A 17 -9.714 10.406 9.232 1.00 0.00 S ATOM 200 CE MET A 17 -10.251 10.959 7.616 1.00 0.00 C ATOM 0 H MET A 17 -5.855 9.132 7.968 1.00 0.00 H new ATOM 0 HA MET A 17 -7.351 6.889 8.721 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.195 9.058 6.770 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.229 8.113 7.822 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.699 9.207 9.724 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.437 10.423 8.489 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.765 11.915 7.711 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.385 11.076 6.965 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.930 10.223 7.187 1.00 0.00 H new ATOM 210 N ILE A 18 -7.160 7.218 5.429 1.00 0.00 N ATOM 211 CA ILE A 18 -7.207 6.474 4.176 1.00 0.00 C ATOM 212 C ILE A 18 -6.374 5.199 4.263 1.00 0.00 C ATOM 213 O ILE A 18 -6.860 4.106 3.968 1.00 0.00 O ATOM 214 CB ILE A 18 -6.700 7.325 2.997 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.559 8.582 2.840 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.707 6.509 1.713 1.00 0.00 C ATOM 217 CD1 ILE A 18 -6.826 9.739 2.198 1.00 0.00 C ATOM 0 H ILE A 18 -7.071 8.228 5.317 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.251 6.213 4.003 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.675 7.632 3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.436 8.340 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.920 8.891 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.346 7.124 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.057 5.641 1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.723 6.176 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.496 10.595 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.964 10.008 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.489 9.449 1.203 1.00 0.00 H new ATOM 229 N LEU A 19 -5.119 5.346 4.672 1.00 0.00 N ATOM 230 CA LEU A 19 -4.218 4.206 4.800 1.00 0.00 C ATOM 231 C LEU A 19 -4.868 3.087 5.607 1.00 0.00 C ATOM 232 O LEU A 19 -4.920 1.938 5.166 1.00 0.00 O ATOM 233 CB LEU A 19 -2.910 4.637 5.466 1.00 0.00 C ATOM 234 CG LEU A 19 -1.881 3.531 5.703 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.430 2.929 4.381 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.689 4.069 6.480 1.00 0.00 C ATOM 0 H LEU A 19 -4.702 6.243 4.921 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.003 3.830 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.449 5.409 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.148 5.096 6.426 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.351 2.745 6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.698 2.144 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.290 2.506 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.978 3.705 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.033 3.268 6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.219 4.874 5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.025 4.451 7.444 1.00 0.00 H new ATOM 248 N THR A 20 -5.364 3.429 6.792 1.00 0.00 N ATOM 249 CA THR A 20 -6.012 2.454 7.660 1.00 0.00 C ATOM 250 C THR A 20 -7.090 1.680 6.910 1.00 0.00 C ATOM 251 O THR A 20 -6.968 0.474 6.701 1.00 0.00 O ATOM 252 CB THR A 20 -6.644 3.131 8.891 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.630 3.772 9.672 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.383 2.114 9.747 1.00 0.00 C ATOM 0 H THR A 20 -5.329 4.375 7.173 1.00 0.00 H new ATOM 0 HA THR A 20 -5.238 1.763 7.992 1.00 0.00 H new ATOM 0 HB THR A 20 -7.358 3.877 8.542 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.305 4.566 9.198 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.821 2.615 10.610 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.173 1.648 9.158 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.685 1.349 10.087 1.00 0.00 H new ATOM 262 N GLU A 21 -8.144 2.383 6.507 1.00 0.00 N ATOM 263 CA GLU A 21 -9.243 1.760 5.779 1.00 0.00 C ATOM 264 C GLU A 21 -8.722 0.720 4.791 1.00 0.00 C ATOM 265 O GLU A 21 -9.150 -0.434 4.805 1.00 0.00 O ATOM 266 CB GLU A 21 -10.059 2.820 5.038 1.00 0.00 C ATOM 267 CG GLU A 21 -10.812 3.764 5.960 1.00 0.00 C ATOM 268 CD GLU A 21 -11.673 3.030 6.969 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.843 2.734 6.646 1.00 0.00 O ATOM 270 OE2 GLU A 21 -11.178 2.752 8.082 1.00 0.00 O ATOM 0 H GLU A 21 -8.260 3.383 6.672 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.885 1.258 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.391 3.402 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.772 2.323 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.098 4.396 6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.441 4.424 5.363 1.00 0.00 H new ATOM 277 N MET A 22 -7.796 1.139 3.934 1.00 0.00 N ATOM 278 CA MET A 22 -7.216 0.244 2.940 1.00 0.00 C ATOM 279 C MET A 22 -6.531 -0.943 3.610 1.00 0.00 C ATOM 280 O MET A 22 -6.762 -2.093 3.240 1.00 0.00 O ATOM 281 CB MET A 22 -6.213 1.000 2.066 1.00 0.00 C ATOM 282 CG MET A 22 -6.848 2.087 1.214 1.00 0.00 C ATOM 283 SD MET A 22 -5.860 2.499 -0.237 1.00 0.00 S ATOM 284 CE MET A 22 -4.274 2.845 0.521 1.00 0.00 C ATOM 0 H MET A 22 -7.432 2.091 3.908 1.00 0.00 H new ATOM 0 HA MET A 22 -8.023 -0.133 2.312 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.452 1.448 2.705 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.704 0.290 1.414 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.838 1.761 0.894 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.988 2.982 1.820 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.481 2.697 -0.212 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.256 3.877 0.872 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.119 2.172 1.364 1.00 0.00 H new ATOM 294 N GLU A 23 -5.687 -0.654 4.596 1.00 0.00 N ATOM 295 CA GLU A 23 -4.968 -1.699 5.315 1.00 0.00 C ATOM 296 C GLU A 23 -5.928 -2.775 5.814 1.00 0.00 C ATOM 297 O GLU A 23 -5.530 -3.915 6.058 1.00 0.00 O ATOM 298 CB GLU A 23 -4.199 -1.100 6.494 1.00 0.00 C ATOM 299 CG GLU A 23 -2.852 -0.513 6.107 1.00 0.00 C ATOM 300 CD GLU A 23 -1.841 -0.578 7.235 1.00 0.00 C ATOM 301 OE1 GLU A 23 -1.642 -1.679 7.790 1.00 0.00 O ATOM 302 OE2 GLU A 23 -1.249 0.472 7.563 1.00 0.00 O ATOM 0 H GLU A 23 -5.485 0.294 4.915 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.261 -2.159 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.806 -0.321 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.046 -1.873 7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.461 -1.050 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.986 0.525 5.804 1.00 0.00 H new ATOM 309 N THR A 24 -7.197 -2.405 5.965 1.00 0.00 N ATOM 310 CA THR A 24 -8.214 -3.336 6.436 1.00 0.00 C ATOM 311 C THR A 24 -9.076 -3.839 5.284 1.00 0.00 C ATOM 312 O THR A 24 -10.227 -4.228 5.480 1.00 0.00 O ATOM 313 CB THR A 24 -9.122 -2.686 7.497 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.833 -1.583 6.923 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.307 -2.207 8.688 1.00 0.00 C ATOM 0 H THR A 24 -7.544 -1.466 5.768 1.00 0.00 H new ATOM 0 HA THR A 24 -7.688 -4.178 6.886 1.00 0.00 H new ATOM 0 HB THR A 24 -9.833 -3.436 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.516 -1.430 6.008 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.970 -1.752 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.791 -3.054 9.140 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.575 -1.471 8.356 1.00 0.00 H new ATOM 323 N HIS A 25 -8.511 -3.828 4.080 1.00 0.00 N ATOM 324 CA HIS A 25 -9.229 -4.285 2.895 1.00 0.00 C ATOM 325 C HIS A 25 -8.940 -5.757 2.618 1.00 0.00 C ATOM 326 O HIS A 25 -7.829 -6.234 2.848 1.00 0.00 O ATOM 327 CB HIS A 25 -8.841 -3.440 1.681 1.00 0.00 C ATOM 328 CG HIS A 25 -9.923 -3.339 0.651 1.00 0.00 C ATOM 329 ND1 HIS A 25 -9.877 -4.003 -0.557 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.088 -2.648 0.654 1.00 0.00 C ATOM 331 CE1 HIS A 25 -10.964 -3.723 -1.253 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.716 -2.904 -0.540 1.00 0.00 N ATOM 0 H HIS A 25 -7.559 -3.508 3.900 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.297 -4.172 3.081 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.575 -2.437 2.016 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.951 -3.868 1.220 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.455 -2.014 1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.198 -4.100 -2.238 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.617 -2.523 -0.829 1.00 0.00 H new ATOM 340 N GLU A 26 -9.947 -6.470 2.125 1.00 0.00 N ATOM 341 CA GLU A 26 -9.800 -7.888 1.819 1.00 0.00 C ATOM 342 C GLU A 26 -8.774 -8.102 0.710 1.00 0.00 C ATOM 343 O GLU A 26 -8.383 -9.233 0.420 1.00 0.00 O ATOM 344 CB GLU A 26 -11.146 -8.486 1.405 1.00 0.00 C ATOM 345 CG GLU A 26 -11.748 -7.835 0.171 1.00 0.00 C ATOM 346 CD GLU A 26 -13.240 -8.078 0.051 1.00 0.00 C ATOM 347 OE1 GLU A 26 -14.008 -7.410 0.774 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.638 -8.936 -0.764 1.00 0.00 O ATOM 0 H GLU A 26 -10.873 -6.090 1.929 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.448 -8.392 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.018 -9.552 1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.847 -8.390 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.560 -6.762 0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.249 -8.220 -0.718 1.00 0.00 H new ATOM 355 N ASP A 27 -8.343 -7.008 0.092 1.00 0.00 N ATOM 356 CA ASP A 27 -7.362 -7.074 -0.985 1.00 0.00 C ATOM 357 C ASP A 27 -6.257 -6.042 -0.778 1.00 0.00 C ATOM 358 O ASP A 27 -5.728 -5.485 -1.739 1.00 0.00 O ATOM 359 CB ASP A 27 -8.041 -6.848 -2.337 1.00 0.00 C ATOM 360 CG ASP A 27 -8.513 -8.142 -2.971 1.00 0.00 C ATOM 361 OD1 ASP A 27 -7.882 -9.190 -2.720 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.513 -8.107 -3.717 1.00 0.00 O ATOM 0 H ASP A 27 -8.658 -6.065 0.318 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.913 -8.067 -0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.892 -6.180 -2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.345 -6.349 -3.011 1.00 0.00 H new ATOM 367 N ALA A 28 -5.916 -5.792 0.481 1.00 0.00 N ATOM 368 CA ALA A 28 -4.875 -4.828 0.814 1.00 0.00 C ATOM 369 C ALA A 28 -3.726 -5.497 1.562 1.00 0.00 C ATOM 370 O ALA A 28 -2.750 -4.845 1.930 1.00 0.00 O ATOM 371 CB ALA A 28 -5.454 -3.690 1.641 1.00 0.00 C ATOM 0 H ALA A 28 -6.346 -6.244 1.288 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.480 -4.421 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.665 -2.978 1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.235 -3.187 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.877 -4.089 2.563 1.00 0.00 H new ATOM 377 N TRP A 29 -3.851 -6.801 1.784 1.00 0.00 N ATOM 378 CA TRP A 29 -2.823 -7.557 2.490 1.00 0.00 C ATOM 379 C TRP A 29 -1.614 -7.800 1.593 1.00 0.00 C ATOM 380 O TRP A 29 -0.476 -7.895 2.052 1.00 0.00 O ATOM 381 CB TRP A 29 -3.388 -8.893 2.977 1.00 0.00 C ATOM 382 CG TRP A 29 -3.710 -9.843 1.864 1.00 0.00 C ATOM 383 CD1 TRP A 29 -4.953 -10.203 1.427 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.774 -10.556 1.048 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.847 -11.096 0.389 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.520 -11.329 0.137 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.379 -10.616 0.997 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -2.916 -12.150 -0.811 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.781 -11.432 0.056 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.549 -12.189 -0.838 1.00 0.00 C ATOM 0 H TRP A 29 -4.653 -7.356 1.486 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.502 -6.970 3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.667 -9.361 3.648 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.291 -8.707 3.559 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.883 -9.839 1.838 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.629 -11.517 -0.113 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.779 -10.035 1.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.506 -12.735 -1.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.297 -11.487 0.009 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.052 -12.816 -1.563 1.00 0.00 H new ATOM 401 N PRO A 30 -1.861 -7.903 0.279 1.00 0.00 N ATOM 402 CA PRO A 30 -0.723 -8.136 -0.614 1.00 0.00 C ATOM 403 C PRO A 30 0.439 -7.190 -0.331 1.00 0.00 C ATOM 404 O PRO A 30 1.574 -7.447 -0.733 1.00 0.00 O ATOM 405 CB PRO A 30 -1.303 -7.868 -2.005 1.00 0.00 C ATOM 406 CG PRO A 30 -2.761 -8.143 -1.867 1.00 0.00 C ATOM 407 CD PRO A 30 -3.136 -7.819 -0.453 1.00 0.00 C ATOM 0 HA PRO A 30 -0.310 -9.138 -0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.122 -6.840 -2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.847 -8.514 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.336 -7.537 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.980 -9.186 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.577 -6.825 -0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.869 -8.525 -0.062 1.00 0.00 H new ATOM 415 N PHE A 31 0.149 -6.095 0.363 1.00 0.00 N ATOM 416 CA PHE A 31 1.171 -5.110 0.700 1.00 0.00 C ATOM 417 C PHE A 31 1.383 -5.040 2.209 1.00 0.00 C ATOM 418 O PHE A 31 2.493 -4.790 2.681 1.00 0.00 O ATOM 419 CB PHE A 31 0.777 -3.732 0.164 1.00 0.00 C ATOM 420 CG PHE A 31 -0.073 -3.790 -1.073 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.444 -3.968 -0.979 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.499 -3.666 -2.329 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.228 -4.023 -2.116 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.280 -3.719 -3.469 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.646 -3.897 -3.363 1.00 0.00 C ATOM 0 H PHE A 31 -0.785 -5.867 0.703 1.00 0.00 H new ATOM 0 HA PHE A 31 2.106 -5.420 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.238 -3.190 0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.681 -3.163 -0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.905 -4.065 -0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.566 -3.526 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.295 -4.164 -2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.178 -3.621 -4.442 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.257 -3.938 -4.252 1.00 0.00 H new ATOM 435 N LEU A 32 0.310 -5.262 2.962 1.00 0.00 N ATOM 436 CA LEU A 32 0.377 -5.224 4.419 1.00 0.00 C ATOM 437 C LEU A 32 1.724 -5.738 4.916 1.00 0.00 C ATOM 438 O LEU A 32 2.242 -5.272 5.932 1.00 0.00 O ATOM 439 CB LEU A 32 -0.754 -6.058 5.022 1.00 0.00 C ATOM 440 CG LEU A 32 -2.122 -5.379 5.098 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.149 -6.314 5.719 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.031 -4.082 5.890 1.00 0.00 C ATOM 0 H LEU A 32 -0.616 -5.470 2.588 1.00 0.00 H new ATOM 0 HA LEU A 32 0.265 -4.187 4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.856 -6.972 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.462 -6.355 6.029 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.444 -5.141 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.116 -5.813 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.235 -7.215 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.833 -6.585 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.014 -3.613 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.686 -4.297 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.328 -3.407 5.403 1.00 0.00 H new ATOM 454 N LEU A 33 2.288 -6.698 4.193 1.00 0.00 N ATOM 455 CA LEU A 33 3.578 -7.274 4.559 1.00 0.00 C ATOM 456 C LEU A 33 4.607 -7.050 3.456 1.00 0.00 C ATOM 457 O LEU A 33 4.284 -7.013 2.269 1.00 0.00 O ATOM 458 CB LEU A 33 3.429 -8.771 4.836 1.00 0.00 C ATOM 459 CG LEU A 33 2.830 -9.147 6.191 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.543 -10.639 6.254 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.763 -8.734 7.320 1.00 0.00 C ATOM 0 H LEU A 33 1.873 -7.095 3.350 1.00 0.00 H new ATOM 0 HA LEU A 33 3.928 -6.776 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.806 -9.205 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.412 -9.235 4.755 1.00 0.00 H new ATOM 0 HG LEU A 33 1.888 -8.612 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.117 -10.887 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.836 -10.907 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.470 -11.194 6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.320 -9.010 8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.721 -9.241 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.917 -7.655 7.289 1.00 0.00 H new ATOM 473 N PRO A 34 5.879 -6.897 3.855 1.00 0.00 N ATOM 474 CA PRO A 34 6.982 -6.676 2.916 1.00 0.00 C ATOM 475 C PRO A 34 7.290 -7.915 2.081 1.00 0.00 C ATOM 476 O PRO A 34 7.493 -9.004 2.619 1.00 0.00 O ATOM 477 CB PRO A 34 8.164 -6.341 3.830 1.00 0.00 C ATOM 478 CG PRO A 34 7.834 -6.990 5.129 1.00 0.00 C ATOM 479 CD PRO A 34 6.337 -6.930 5.254 1.00 0.00 C ATOM 0 HA PRO A 34 6.750 -5.895 2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.100 -6.723 3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.283 -5.264 3.945 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.186 -8.021 5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.316 -6.471 5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.943 -7.796 5.785 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.015 -6.045 5.803 1.00 0.00 H new ATOM 487 N VAL A 35 7.324 -7.741 0.764 1.00 0.00 N ATOM 488 CA VAL A 35 7.608 -8.845 -0.146 1.00 0.00 C ATOM 489 C VAL A 35 9.004 -9.410 0.096 1.00 0.00 C ATOM 490 O VAL A 35 9.985 -8.670 0.135 1.00 0.00 O ATOM 491 CB VAL A 35 7.492 -8.404 -1.617 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.414 -7.227 -1.896 1.00 0.00 C ATOM 493 CG2 VAL A 35 7.802 -9.567 -2.547 1.00 0.00 C ATOM 0 H VAL A 35 7.158 -6.846 0.303 1.00 0.00 H new ATOM 0 HA VAL A 35 6.866 -9.619 0.052 1.00 0.00 H new ATOM 0 HB VAL A 35 6.467 -8.083 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.318 -6.929 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.140 -6.390 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.445 -7.517 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.715 -9.238 -3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.816 -9.920 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.097 -10.377 -2.364 1.00 0.00 H new ATOM 503 N ASN A 36 9.083 -10.727 0.256 1.00 0.00 N ATOM 504 CA ASN A 36 10.359 -11.392 0.493 1.00 0.00 C ATOM 505 C ASN A 36 11.201 -11.425 -0.779 1.00 0.00 C ATOM 506 O ASN A 36 11.040 -12.310 -1.620 1.00 0.00 O ATOM 507 CB ASN A 36 10.128 -12.817 1.002 1.00 0.00 C ATOM 508 CG ASN A 36 9.953 -12.872 2.508 1.00 0.00 C ATOM 509 OD1 ASN A 36 8.831 -12.919 3.012 1.00 0.00 O ATOM 510 ND2 ASN A 36 11.065 -12.865 3.233 1.00 0.00 N ATOM 0 H ASN A 36 8.279 -11.354 0.226 1.00 0.00 H new ATOM 0 HA ASN A 36 10.900 -10.825 1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.243 -13.233 0.521 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.972 -13.444 0.714 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.010 -12.899 4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.974 -12.825 2.772 1.00 0.00 H new ATOM 517 N LEU A 37 12.098 -10.454 -0.913 1.00 0.00 N ATOM 518 CA LEU A 37 12.966 -10.372 -2.082 1.00 0.00 C ATOM 519 C LEU A 37 13.816 -11.631 -2.220 1.00 0.00 C ATOM 520 O LEU A 37 14.103 -12.081 -3.329 1.00 0.00 O ATOM 521 CB LEU A 37 13.870 -9.141 -1.984 1.00 0.00 C ATOM 522 CG LEU A 37 13.186 -7.837 -1.574 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.210 -6.724 -1.417 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.125 -7.448 -2.593 1.00 0.00 C ATOM 0 H LEU A 37 12.243 -9.713 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 37 12.335 -10.284 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.663 -9.353 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.348 -8.988 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 37 12.698 -7.992 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.705 -5.803 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.933 -7.000 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.727 -6.569 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.648 -6.517 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.591 -7.311 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.375 -8.236 -2.656 1.00 0.00 H new ATOM 536 N LYS A 38 14.214 -12.197 -1.086 1.00 0.00 N ATOM 537 CA LYS A 38 15.027 -13.407 -1.078 1.00 0.00 C ATOM 538 C LYS A 38 14.226 -14.604 -1.580 1.00 0.00 C ATOM 539 O LYS A 38 14.727 -15.416 -2.360 1.00 0.00 O ATOM 540 CB LYS A 38 15.550 -13.686 0.333 1.00 0.00 C ATOM 541 CG LYS A 38 16.811 -12.911 0.678 1.00 0.00 C ATOM 542 CD LYS A 38 17.196 -13.095 2.136 1.00 0.00 C ATOM 543 CE LYS A 38 18.551 -12.473 2.437 1.00 0.00 C ATOM 544 NZ LYS A 38 19.210 -13.118 3.606 1.00 0.00 N ATOM 0 H LYS A 38 13.986 -11.837 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 38 15.872 -13.251 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.772 -13.438 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.750 -14.753 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.630 -13.243 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.656 -11.852 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.437 -12.642 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.221 -14.158 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 38 19.195 -12.563 1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.426 -11.408 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 20.131 -12.666 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.608 -13.010 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 19.352 -14.129 3.410 1.00 0.00 H new ATOM 558 N LEU A 39 12.981 -14.707 -1.131 1.00 0.00 N ATOM 559 CA LEU A 39 12.110 -15.805 -1.536 1.00 0.00 C ATOM 560 C LEU A 39 11.675 -15.648 -2.990 1.00 0.00 C ATOM 561 O LEU A 39 11.917 -16.525 -3.819 1.00 0.00 O ATOM 562 CB LEU A 39 10.880 -15.868 -0.628 1.00 0.00 C ATOM 563 CG LEU A 39 11.153 -16.113 0.856 1.00 0.00 C ATOM 564 CD1 LEU A 39 9.853 -16.102 1.647 1.00 0.00 C ATOM 565 CD2 LEU A 39 11.888 -17.431 1.053 1.00 0.00 C ATOM 0 H LEU A 39 12.551 -14.044 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 39 12.671 -16.735 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.332 -14.931 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.225 -16.660 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 39 11.787 -15.308 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.067 -16.278 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.366 -15.134 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.194 -16.886 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.074 -17.589 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.280 -18.248 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.838 -17.401 0.519 1.00 0.00 H new ATOM 577 N VAL A 40 11.035 -14.523 -3.292 1.00 0.00 N ATOM 578 CA VAL A 40 10.570 -14.248 -4.646 1.00 0.00 C ATOM 579 C VAL A 40 11.726 -14.275 -5.640 1.00 0.00 C ATOM 580 O VAL A 40 12.814 -13.762 -5.378 1.00 0.00 O ATOM 581 CB VAL A 40 9.865 -12.881 -4.732 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.375 -12.621 -6.148 1.00 0.00 C ATOM 583 CG2 VAL A 40 8.715 -12.813 -3.739 1.00 0.00 C ATOM 0 H VAL A 40 10.827 -13.787 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 40 9.857 -15.032 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 40 10.584 -12.103 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.880 -11.651 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.223 -12.625 -6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.671 -13.401 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.228 -11.841 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.993 -13.599 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.099 -12.951 -2.728 1.00 0.00 H new ATOM 593 N PRO A 41 11.486 -14.886 -6.810 1.00 0.00 N ATOM 594 CA PRO A 41 12.495 -14.993 -7.868 1.00 0.00 C ATOM 595 C PRO A 41 12.797 -13.648 -8.520 1.00 0.00 C ATOM 596 O PRO A 41 12.291 -13.343 -9.599 1.00 0.00 O ATOM 597 CB PRO A 41 11.850 -15.945 -8.878 1.00 0.00 C ATOM 598 CG PRO A 41 10.384 -15.794 -8.658 1.00 0.00 C ATOM 599 CD PRO A 41 10.212 -15.518 -7.190 1.00 0.00 C ATOM 0 HA PRO A 41 13.453 -15.343 -7.484 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.126 -15.684 -9.900 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.171 -16.974 -8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.981 -14.978 -9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.850 -16.698 -8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.365 -14.859 -7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.034 -16.434 -6.627 1.00 0.00 H new ATOM 607 N GLY A 42 13.625 -12.846 -7.857 1.00 0.00 N ATOM 608 CA GLY A 42 13.979 -11.543 -8.389 1.00 0.00 C ATOM 609 C GLY A 42 12.810 -10.578 -8.387 1.00 0.00 C ATOM 610 O GLY A 42 12.111 -10.437 -9.391 1.00 0.00 O ATOM 0 H GLY A 42 14.057 -13.075 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.794 -11.123 -7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.349 -11.658 -9.408 1.00 0.00 H new ATOM 614 N TYR A 43 12.594 -9.915 -7.256 1.00 0.00 N ATOM 615 CA TYR A 43 11.499 -8.962 -7.127 1.00 0.00 C ATOM 616 C TYR A 43 11.992 -7.533 -7.334 1.00 0.00 C ATOM 617 O TYR A 43 11.361 -6.741 -8.034 1.00 0.00 O ATOM 618 CB TYR A 43 10.842 -9.092 -5.751 1.00 0.00 C ATOM 619 CG TYR A 43 9.618 -8.220 -5.579 1.00 0.00 C ATOM 620 CD1 TYR A 43 9.740 -6.874 -5.256 1.00 0.00 C ATOM 621 CD2 TYR A 43 8.341 -8.743 -5.739 1.00 0.00 C ATOM 622 CE1 TYR A 43 8.625 -6.074 -5.098 1.00 0.00 C ATOM 623 CE2 TYR A 43 7.221 -7.950 -5.584 1.00 0.00 C ATOM 624 CZ TYR A 43 7.368 -6.616 -5.263 1.00 0.00 C ATOM 625 OH TYR A 43 6.254 -5.824 -5.106 1.00 0.00 O ATOM 0 H TYR A 43 13.163 -10.020 -6.416 1.00 0.00 H new ATOM 0 HA TYR A 43 10.762 -9.188 -7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.562 -10.133 -5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.572 -8.835 -4.983 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.723 -6.446 -5.126 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.222 -9.787 -5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.737 -5.030 -4.847 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.235 -8.372 -5.713 1.00 0.00 H new ATOM 0 HH TYR A 43 5.448 -6.360 -5.258 1.00 0.00 H new ATOM 635 N LYS A 44 13.125 -7.211 -6.719 1.00 0.00 N ATOM 636 CA LYS A 44 13.707 -5.879 -6.836 1.00 0.00 C ATOM 637 C LYS A 44 14.003 -5.540 -8.294 1.00 0.00 C ATOM 638 O LYS A 44 13.584 -4.497 -8.797 1.00 0.00 O ATOM 639 CB LYS A 44 14.992 -5.787 -6.010 1.00 0.00 C ATOM 640 CG LYS A 44 15.310 -4.379 -5.535 1.00 0.00 C ATOM 641 CD LYS A 44 16.199 -4.394 -4.303 1.00 0.00 C ATOM 642 CE LYS A 44 16.666 -2.994 -3.936 1.00 0.00 C ATOM 643 NZ LYS A 44 17.611 -2.442 -4.946 1.00 0.00 N ATOM 0 H LYS A 44 13.659 -7.854 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 44 12.983 -5.159 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.905 -6.443 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.825 -6.157 -6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.804 -3.827 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.383 -3.852 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.654 -4.828 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.064 -5.031 -4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.803 -2.335 -3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.150 -3.017 -2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.086 -1.604 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.322 -3.162 -5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.086 -2.174 -5.803 1.00 0.00 H new ATOM 657 N LYS A 45 14.725 -6.428 -8.968 1.00 0.00 N ATOM 658 CA LYS A 45 15.075 -6.225 -10.369 1.00 0.00 C ATOM 659 C LYS A 45 13.931 -5.554 -11.123 1.00 0.00 C ATOM 660 O LYS A 45 14.137 -4.572 -11.837 1.00 0.00 O ATOM 661 CB LYS A 45 15.420 -7.562 -11.029 1.00 0.00 C ATOM 662 CG LYS A 45 16.725 -8.164 -10.537 1.00 0.00 C ATOM 663 CD LYS A 45 17.072 -9.435 -11.293 1.00 0.00 C ATOM 664 CE LYS A 45 17.740 -9.127 -12.624 1.00 0.00 C ATOM 665 NZ LYS A 45 19.211 -8.953 -12.480 1.00 0.00 N ATOM 0 H LYS A 45 15.080 -7.296 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 45 15.947 -5.572 -10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.611 -8.269 -10.844 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.479 -7.421 -12.108 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.529 -7.438 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.647 -8.383 -9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.735 -10.051 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.166 -10.016 -11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.537 -9.935 -13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.307 -8.220 -13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.629 -8.745 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.405 -8.166 -11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.629 -9.827 -12.101 1.00 0.00 H new ATOM 679 N VAL A 46 12.726 -6.089 -10.960 1.00 0.00 N ATOM 680 CA VAL A 46 11.549 -5.541 -11.623 1.00 0.00 C ATOM 681 C VAL A 46 11.010 -4.328 -10.872 1.00 0.00 C ATOM 682 O VAL A 46 10.690 -3.304 -11.476 1.00 0.00 O ATOM 683 CB VAL A 46 10.432 -6.594 -11.746 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.140 -5.949 -12.227 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.857 -7.715 -12.681 1.00 0.00 C ATOM 0 H VAL A 46 12.539 -6.902 -10.374 1.00 0.00 H new ATOM 0 HA VAL A 46 11.862 -5.237 -12.622 1.00 0.00 H new ATOM 0 HB VAL A 46 10.251 -7.023 -10.760 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.362 -6.708 -12.308 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.828 -5.185 -11.515 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.303 -5.491 -13.203 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.055 -8.450 -12.756 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.067 -7.305 -13.669 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.754 -8.195 -12.289 1.00 0.00 H new ATOM 695 N ILE A 47 10.912 -4.452 -9.553 1.00 0.00 N ATOM 696 CA ILE A 47 10.412 -3.366 -8.719 1.00 0.00 C ATOM 697 C ILE A 47 11.552 -2.474 -8.238 1.00 0.00 C ATOM 698 O ILE A 47 12.398 -2.899 -7.451 1.00 0.00 O ATOM 699 CB ILE A 47 9.644 -3.902 -7.497 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.447 -4.742 -7.948 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.187 -2.751 -6.613 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.502 -4.002 -8.869 1.00 0.00 C ATOM 0 H ILE A 47 11.172 -5.294 -9.039 1.00 0.00 H new ATOM 0 HA ILE A 47 9.731 -2.781 -9.337 1.00 0.00 H new ATOM 0 HB ILE A 47 10.312 -4.538 -6.916 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.811 -5.635 -8.456 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.897 -5.077 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.645 -3.145 -5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.056 -2.190 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.532 -2.092 -7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.678 -4.658 -9.148 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.109 -3.123 -8.357 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.038 -3.690 -9.766 1.00 0.00 H new ATOM 714 N LYS A 48 11.567 -1.234 -8.716 1.00 0.00 N ATOM 715 CA LYS A 48 12.601 -0.279 -8.333 1.00 0.00 C ATOM 716 C LYS A 48 12.340 0.273 -6.935 1.00 0.00 C ATOM 717 O LYS A 48 13.273 0.580 -6.193 1.00 0.00 O ATOM 718 CB LYS A 48 12.663 0.869 -9.343 1.00 0.00 C ATOM 719 CG LYS A 48 12.907 0.410 -10.770 1.00 0.00 C ATOM 720 CD LYS A 48 11.602 0.145 -11.502 1.00 0.00 C ATOM 721 CE LYS A 48 11.780 0.231 -13.010 1.00 0.00 C ATOM 722 NZ LYS A 48 11.982 1.634 -13.465 1.00 0.00 N ATOM 0 H LYS A 48 10.875 -0.867 -9.369 1.00 0.00 H new ATOM 0 HA LYS A 48 13.558 -0.800 -8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.727 1.427 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.456 1.557 -9.051 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.477 1.169 -11.305 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.512 -0.497 -10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.228 -0.843 -11.235 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.851 0.867 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.635 -0.375 -13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.903 -0.188 -13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.813 1.694 -14.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.317 2.260 -12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.957 1.929 -13.257 1.00 0.00 H new ATOM 736 N LYS A 49 11.065 0.397 -6.581 1.00 0.00 N ATOM 737 CA LYS A 49 10.681 0.910 -5.271 1.00 0.00 C ATOM 738 C LYS A 49 9.646 0.002 -4.614 1.00 0.00 C ATOM 739 O LYS A 49 8.446 0.280 -4.623 1.00 0.00 O ATOM 740 CB LYS A 49 10.122 2.329 -5.401 1.00 0.00 C ATOM 741 CG LYS A 49 11.181 3.412 -5.290 1.00 0.00 C ATOM 742 CD LYS A 49 11.434 3.798 -3.842 1.00 0.00 C ATOM 743 CE LYS A 49 10.513 4.923 -3.396 1.00 0.00 C ATOM 744 NZ LYS A 49 10.799 6.194 -4.117 1.00 0.00 N ATOM 0 H LYS A 49 10.280 0.149 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 49 11.570 0.933 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.616 2.425 -6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.370 2.487 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.109 3.062 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.864 4.291 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.285 2.929 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.472 4.108 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.476 4.633 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.626 5.081 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.458 6.998 -3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.824 6.285 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.315 6.188 -5.037 1.00 0.00 H new ATOM 758 N PRO A 50 10.118 -1.108 -4.028 1.00 0.00 N ATOM 759 CA PRO A 50 9.250 -2.077 -3.353 1.00 0.00 C ATOM 760 C PRO A 50 8.662 -1.526 -2.059 1.00 0.00 C ATOM 761 O PRO A 50 9.149 -1.825 -0.969 1.00 0.00 O ATOM 762 CB PRO A 50 10.190 -3.249 -3.058 1.00 0.00 C ATOM 763 CG PRO A 50 11.547 -2.640 -2.996 1.00 0.00 C ATOM 764 CD PRO A 50 11.536 -1.502 -3.979 1.00 0.00 C ATOM 0 HA PRO A 50 8.388 -2.347 -3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.932 -3.737 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.132 -4.009 -3.838 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.769 -2.284 -1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.314 -3.370 -3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.171 -0.680 -3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.901 -1.813 -4.958 1.00 0.00 H new ATOM 772 N MET A 51 7.613 -0.721 -2.187 1.00 0.00 N ATOM 773 CA MET A 51 6.957 -0.130 -1.025 1.00 0.00 C ATOM 774 C MET A 51 5.905 -1.075 -0.456 1.00 0.00 C ATOM 775 O MET A 51 5.496 -2.033 -1.112 1.00 0.00 O ATOM 776 CB MET A 51 6.311 1.205 -1.402 1.00 0.00 C ATOM 777 CG MET A 51 5.938 2.059 -0.202 1.00 0.00 C ATOM 778 SD MET A 51 7.325 2.322 0.921 1.00 0.00 S ATOM 779 CE MET A 51 8.400 3.328 -0.099 1.00 0.00 C ATOM 0 H MET A 51 7.199 -0.463 -3.082 1.00 0.00 H new ATOM 0 HA MET A 51 7.714 0.044 -0.260 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.997 1.765 -2.037 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.416 1.012 -1.993 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.568 3.024 -0.549 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.122 1.581 0.340 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.354 3.470 0.408 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.567 2.829 -1.054 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.934 4.298 -0.273 1.00 0.00 H new ATOM 789 N ASP A 52 5.469 -0.800 0.769 1.00 0.00 N ATOM 790 CA ASP A 52 4.463 -1.625 1.427 1.00 0.00 C ATOM 791 C ASP A 52 3.749 -0.841 2.523 1.00 0.00 C ATOM 792 O ASP A 52 4.348 0.006 3.186 1.00 0.00 O ATOM 793 CB ASP A 52 5.109 -2.879 2.018 1.00 0.00 C ATOM 794 CG ASP A 52 6.240 -3.408 1.158 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.321 -2.782 1.148 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.045 -4.449 0.496 1.00 0.00 O ATOM 0 H ASP A 52 5.797 -0.011 1.326 1.00 0.00 H new ATOM 0 HA ASP A 52 3.727 -1.922 0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.489 -2.653 3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.351 -3.654 2.134 1.00 0.00 H new ATOM 801 N PHE A 53 2.465 -1.128 2.708 1.00 0.00 N ATOM 802 CA PHE A 53 1.668 -0.448 3.722 1.00 0.00 C ATOM 803 C PHE A 53 2.378 -0.465 5.073 1.00 0.00 C ATOM 804 O PHE A 53 2.362 0.524 5.807 1.00 0.00 O ATOM 805 CB PHE A 53 0.293 -1.108 3.848 1.00 0.00 C ATOM 806 CG PHE A 53 -0.624 -0.808 2.697 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.762 0.487 2.224 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.347 -1.821 2.088 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.606 0.765 1.165 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.192 -1.548 1.029 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.321 -0.253 0.566 1.00 0.00 C ATOM 0 H PHE A 53 1.954 -1.827 2.169 1.00 0.00 H new ATOM 0 HA PHE A 53 1.539 0.589 3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.423 -2.187 3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.177 -0.775 4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.204 1.287 2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.249 -2.836 2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.706 1.779 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.751 -2.346 0.564 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.979 -0.037 -0.262 1.00 0.00 H new ATOM 821 N SER A 54 3.000 -1.594 5.394 1.00 0.00 N ATOM 822 CA SER A 54 3.712 -1.742 6.658 1.00 0.00 C ATOM 823 C SER A 54 4.763 -0.648 6.820 1.00 0.00 C ATOM 824 O SER A 54 4.794 0.056 7.830 1.00 0.00 O ATOM 825 CB SER A 54 4.376 -3.118 6.736 1.00 0.00 C ATOM 826 OG SER A 54 5.327 -3.167 7.785 1.00 0.00 O ATOM 0 H SER A 54 3.026 -2.420 4.796 1.00 0.00 H new ATOM 0 HA SER A 54 2.988 -1.650 7.468 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.616 -3.883 6.894 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.864 -3.344 5.788 1.00 0.00 H new ATOM 0 HG SER A 54 5.736 -4.057 7.815 1.00 0.00 H new ATOM 832 N THR A 55 5.626 -0.512 5.817 1.00 0.00 N ATOM 833 CA THR A 55 6.680 0.494 5.847 1.00 0.00 C ATOM 834 C THR A 55 6.097 1.902 5.806 1.00 0.00 C ATOM 835 O THR A 55 6.501 2.774 6.576 1.00 0.00 O ATOM 836 CB THR A 55 7.656 0.320 4.669 1.00 0.00 C ATOM 837 OG1 THR A 55 8.270 -0.972 4.728 1.00 0.00 O ATOM 838 CG2 THR A 55 8.729 1.399 4.692 1.00 0.00 C ATOM 0 H THR A 55 5.615 -1.086 4.974 1.00 0.00 H new ATOM 0 HA THR A 55 7.223 0.356 6.782 1.00 0.00 H new ATOM 0 HB THR A 55 7.091 0.411 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.888 -1.075 3.974 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.407 1.256 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.260 2.380 4.617 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.290 1.335 5.625 1.00 0.00 H new ATOM 846 N ILE A 56 5.146 2.118 4.904 1.00 0.00 N ATOM 847 CA ILE A 56 4.507 3.420 4.765 1.00 0.00 C ATOM 848 C ILE A 56 3.907 3.883 6.088 1.00 0.00 C ATOM 849 O ILE A 56 3.939 5.069 6.415 1.00 0.00 O ATOM 850 CB ILE A 56 3.400 3.393 3.694 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.992 3.053 2.325 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.675 4.730 3.646 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.953 2.909 1.236 1.00 0.00 C ATOM 0 H ILE A 56 4.801 1.408 4.258 1.00 0.00 H new ATOM 0 HA ILE A 56 5.283 4.120 4.456 1.00 0.00 H new ATOM 0 HB ILE A 56 2.679 2.620 3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.699 3.832 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.556 2.124 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.896 4.694 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.224 4.934 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.385 5.520 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.445 2.668 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.259 2.110 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.405 3.845 1.130 1.00 0.00 H new ATOM 865 N ARG A 57 3.362 2.938 6.847 1.00 0.00 N ATOM 866 CA ARG A 57 2.755 3.248 8.136 1.00 0.00 C ATOM 867 C ARG A 57 3.772 3.890 9.075 1.00 0.00 C ATOM 868 O ARG A 57 3.495 4.915 9.697 1.00 0.00 O ATOM 869 CB ARG A 57 2.186 1.979 8.774 1.00 0.00 C ATOM 870 CG ARG A 57 1.614 2.201 10.165 1.00 0.00 C ATOM 871 CD ARG A 57 0.345 3.039 10.118 1.00 0.00 C ATOM 872 NE ARG A 57 -0.843 2.220 9.896 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.417 1.485 10.843 1.00 0.00 C ATOM 874 NH1 ARG A 57 -0.913 1.467 12.069 1.00 0.00 N ATOM 875 NH2 ARG A 57 -2.496 0.766 10.564 1.00 0.00 N ATOM 0 H ARG A 57 3.328 1.951 6.592 1.00 0.00 H new ATOM 0 HA ARG A 57 1.944 3.957 7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.405 1.577 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.972 1.226 8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.399 1.238 10.629 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.356 2.697 10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.238 3.587 11.054 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.429 3.780 9.323 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.255 2.211 8.963 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.083 2.018 12.287 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.355 0.902 12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.886 0.777 9.622 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.935 0.202 11.292 1.00 0.00 H new ATOM 889 N GLU A 58 4.949 3.280 9.171 1.00 0.00 N ATOM 890 CA GLU A 58 6.006 3.792 10.035 1.00 0.00 C ATOM 891 C GLU A 58 6.466 5.171 9.573 1.00 0.00 C ATOM 892 O GLU A 58 6.708 6.064 10.386 1.00 0.00 O ATOM 893 CB GLU A 58 7.193 2.826 10.055 1.00 0.00 C ATOM 894 CG GLU A 58 6.832 1.429 10.532 1.00 0.00 C ATOM 895 CD GLU A 58 8.044 0.635 10.979 1.00 0.00 C ATOM 896 OE1 GLU A 58 9.103 0.750 10.328 1.00 0.00 O ATOM 897 OE2 GLU A 58 7.933 -0.101 11.982 1.00 0.00 O ATOM 0 H GLU A 58 5.194 2.431 8.661 1.00 0.00 H new ATOM 0 HA GLU A 58 5.603 3.881 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.615 2.761 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.971 3.232 10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.125 1.502 11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.328 0.893 9.728 1.00 0.00 H new ATOM 904 N LYS A 59 6.587 5.339 8.260 1.00 0.00 N ATOM 905 CA LYS A 59 7.018 6.608 7.686 1.00 0.00 C ATOM 906 C LYS A 59 5.991 7.704 7.958 1.00 0.00 C ATOM 907 O LYS A 59 6.337 8.790 8.424 1.00 0.00 O ATOM 908 CB LYS A 59 7.237 6.462 6.179 1.00 0.00 C ATOM 909 CG LYS A 59 8.444 5.613 5.819 1.00 0.00 C ATOM 910 CD LYS A 59 8.311 5.015 4.429 1.00 0.00 C ATOM 911 CE LYS A 59 8.543 6.060 3.348 1.00 0.00 C ATOM 912 NZ LYS A 59 8.778 5.438 2.016 1.00 0.00 N ATOM 0 H LYS A 59 6.392 4.611 7.573 1.00 0.00 H new ATOM 0 HA LYS A 59 7.959 6.891 8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.346 6.020 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.356 7.453 5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.346 6.222 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.559 4.813 6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.028 4.203 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.317 4.583 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.679 6.722 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.401 6.677 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.653 5.821 1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.869 4.408 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.977 5.650 1.388 1.00 0.00 H new ATOM 926 N LEU A 60 4.729 7.411 7.665 1.00 0.00 N ATOM 927 CA LEU A 60 3.652 8.371 7.878 1.00 0.00 C ATOM 928 C LEU A 60 3.691 8.927 9.299 1.00 0.00 C ATOM 929 O LEU A 60 3.818 10.134 9.500 1.00 0.00 O ATOM 930 CB LEU A 60 2.296 7.714 7.613 1.00 0.00 C ATOM 931 CG LEU A 60 1.210 8.625 7.041 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.125 7.897 6.990 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.093 9.899 7.864 1.00 0.00 C ATOM 0 H LEU A 60 4.426 6.516 7.279 1.00 0.00 H new ATOM 0 HA LEU A 60 3.792 9.197 7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.446 6.883 6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.931 7.290 8.548 1.00 0.00 H new ATOM 0 HG LEU A 60 1.491 8.898 6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.886 8.561 6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.034 7.014 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.412 7.593 7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.315 10.535 7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.836 9.645 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.044 10.431 7.849 1.00 0.00 H new ATOM 945 N SER A 61 3.584 8.036 10.280 1.00 0.00 N ATOM 946 CA SER A 61 3.606 8.437 11.682 1.00 0.00 C ATOM 947 C SER A 61 4.923 9.124 12.030 1.00 0.00 C ATOM 948 O SER A 61 4.943 10.126 12.745 1.00 0.00 O ATOM 949 CB SER A 61 3.397 7.220 12.585 1.00 0.00 C ATOM 950 OG SER A 61 2.215 6.522 12.236 1.00 0.00 O ATOM 0 H SER A 61 3.481 7.032 10.130 1.00 0.00 H new ATOM 0 HA SER A 61 2.794 9.145 11.845 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.255 6.552 12.504 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.340 7.541 13.625 1.00 0.00 H new ATOM 0 HG SER A 61 2.397 5.930 11.477 1.00 0.00 H new ATOM 956 N SER A 62 6.021 8.578 11.518 1.00 0.00 N ATOM 957 CA SER A 62 7.344 9.134 11.778 1.00 0.00 C ATOM 958 C SER A 62 7.435 10.573 11.277 1.00 0.00 C ATOM 959 O SER A 62 8.311 11.331 11.691 1.00 0.00 O ATOM 960 CB SER A 62 8.421 8.279 11.107 1.00 0.00 C ATOM 961 OG SER A 62 8.838 7.225 11.958 1.00 0.00 O ATOM 0 H SER A 62 6.021 7.751 10.921 1.00 0.00 H new ATOM 0 HA SER A 62 7.508 9.131 12.856 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.034 7.867 10.175 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.277 8.903 10.849 1.00 0.00 H new ATOM 0 HG SER A 62 8.310 6.422 11.766 1.00 0.00 H new ATOM 967 N GLY A 63 6.524 10.940 10.381 1.00 0.00 N ATOM 968 CA GLY A 63 6.519 12.286 9.838 1.00 0.00 C ATOM 969 C GLY A 63 7.470 12.442 8.668 1.00 0.00 C ATOM 970 O GLY A 63 8.112 13.481 8.518 1.00 0.00 O ATOM 0 H GLY A 63 5.790 10.330 10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.509 12.542 9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.793 12.992 10.622 1.00 0.00 H new ATOM 974 N GLN A 64 7.560 11.407 7.838 1.00 0.00 N ATOM 975 CA GLN A 64 8.442 11.434 6.677 1.00 0.00 C ATOM 976 C GLN A 64 7.813 12.224 5.534 1.00 0.00 C ATOM 977 O GLN A 64 8.513 12.866 4.751 1.00 0.00 O ATOM 978 CB GLN A 64 8.757 10.010 6.217 1.00 0.00 C ATOM 979 CG GLN A 64 9.714 9.271 7.138 1.00 0.00 C ATOM 980 CD GLN A 64 10.548 8.238 6.405 1.00 0.00 C ATOM 981 OE1 GLN A 64 10.496 8.137 5.179 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.325 7.464 7.154 1.00 0.00 N ATOM 0 H GLN A 64 7.033 10.540 7.948 1.00 0.00 H new ATOM 0 HA GLN A 64 9.369 11.928 6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.827 9.446 6.145 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.186 10.047 5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.375 9.990 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.146 8.780 7.928 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.337 7.582 8.167 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.909 6.752 6.716 1.00 0.00 H new ATOM 991 N TYR A 65 6.489 12.172 5.445 1.00 0.00 N ATOM 992 CA TYR A 65 5.765 12.880 4.395 1.00 0.00 C ATOM 993 C TYR A 65 5.497 14.326 4.799 1.00 0.00 C ATOM 994 O TYR A 65 4.714 14.609 5.706 1.00 0.00 O ATOM 995 CB TYR A 65 4.445 12.171 4.089 1.00 0.00 C ATOM 996 CG TYR A 65 4.614 10.722 3.689 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.346 10.374 2.560 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.041 9.702 4.438 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.502 9.052 2.190 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.194 8.378 4.077 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.925 8.058 2.952 1.00 0.00 C ATOM 1002 OH TYR A 65 5.078 6.740 2.587 1.00 0.00 O ATOM 0 H TYR A 65 5.895 11.647 6.087 1.00 0.00 H new ATOM 0 HA TYR A 65 6.385 12.881 3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.802 12.224 4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.934 12.703 3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.800 11.150 1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.466 9.949 5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.073 8.798 1.309 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.744 7.597 4.672 1.00 0.00 H new ATOM 0 HH TYR A 65 5.860 6.651 2.003 1.00 0.00 H new ATOM 1012 N PRO A 66 6.162 15.265 4.109 1.00 0.00 N ATOM 1013 CA PRO A 66 6.012 16.698 4.376 1.00 0.00 C ATOM 1014 C PRO A 66 4.642 17.225 3.962 1.00 0.00 C ATOM 1015 O PRO A 66 4.166 18.228 4.493 1.00 0.00 O ATOM 1016 CB PRO A 66 7.110 17.335 3.521 1.00 0.00 C ATOM 1017 CG PRO A 66 7.347 16.360 2.421 1.00 0.00 C ATOM 1018 CD PRO A 66 7.111 14.999 3.015 1.00 0.00 C ATOM 0 HA PRO A 66 6.094 16.925 5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.796 18.303 3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.016 17.504 4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.672 16.543 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.363 16.446 2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.696 14.307 2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.036 14.556 3.384 1.00 0.00 H new ATOM 1026 N ASN A 67 4.012 16.541 3.012 1.00 0.00 N ATOM 1027 CA ASN A 67 2.696 16.941 2.527 1.00 0.00 C ATOM 1028 C ASN A 67 1.928 15.738 1.987 1.00 0.00 C ATOM 1029 O ASN A 67 2.395 14.602 2.066 1.00 0.00 O ATOM 1030 CB ASN A 67 2.833 18.005 1.437 1.00 0.00 C ATOM 1031 CG ASN A 67 4.028 17.760 0.536 1.00 0.00 C ATOM 1032 OD1 ASN A 67 3.910 17.125 -0.512 1.00 0.00 O ATOM 1033 ND2 ASN A 67 5.188 18.263 0.943 1.00 0.00 N ATOM 0 H ASN A 67 4.392 15.707 2.563 1.00 0.00 H new ATOM 0 HA ASN A 67 2.138 17.360 3.365 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.925 18.023 0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.927 18.987 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.028 18.129 0.379 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.239 18.783 1.819 1.00 0.00 H new ATOM 1040 N LEU A 68 0.747 15.997 1.436 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.087 14.937 0.881 1.00 0.00 C ATOM 1042 C LEU A 68 0.561 14.326 -0.357 1.00 0.00 C ATOM 1043 O LEU A 68 0.792 13.119 -0.417 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.472 15.483 0.529 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.210 16.216 1.650 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.408 16.971 1.096 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.647 15.237 2.730 1.00 0.00 C ATOM 0 H LEU A 68 0.346 16.932 1.362 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.191 14.157 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.368 16.164 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.094 14.652 0.195 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.527 16.938 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.921 17.486 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.070 17.700 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.094 16.268 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.170 15.776 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.313 14.491 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.771 14.742 3.148 1.00 0.00 H new ATOM 1059 N GLU A 69 0.854 15.169 -1.343 1.00 0.00 N ATOM 1060 CA GLU A 69 1.477 14.711 -2.579 1.00 0.00 C ATOM 1061 C GLU A 69 2.449 13.567 -2.307 1.00 0.00 C ATOM 1062 O GLU A 69 2.343 12.492 -2.899 1.00 0.00 O ATOM 1063 CB GLU A 69 2.211 15.866 -3.264 1.00 0.00 C ATOM 1064 CG GLU A 69 2.724 15.523 -4.653 1.00 0.00 C ATOM 1065 CD GLU A 69 1.696 15.786 -5.736 1.00 0.00 C ATOM 1066 OE1 GLU A 69 0.608 15.174 -5.682 1.00 0.00 O ATOM 1067 OE2 GLU A 69 1.978 16.602 -6.637 1.00 0.00 O ATOM 0 H GLU A 69 0.670 16.172 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 69 0.690 14.347 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.539 16.721 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.051 16.172 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.621 16.107 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.014 14.473 -4.680 1.00 0.00 H new ATOM 1074 N THR A 70 3.398 13.805 -1.407 1.00 0.00 N ATOM 1075 CA THR A 70 4.390 12.796 -1.057 1.00 0.00 C ATOM 1076 C THR A 70 3.723 11.516 -0.568 1.00 0.00 C ATOM 1077 O THR A 70 3.916 10.445 -1.143 1.00 0.00 O ATOM 1078 CB THR A 70 5.352 13.309 0.032 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.609 13.742 1.178 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.200 14.457 -0.492 1.00 0.00 C ATOM 0 H THR A 70 3.500 14.688 -0.907 1.00 0.00 H new ATOM 0 HA THR A 70 4.958 12.583 -1.963 1.00 0.00 H new ATOM 0 HB THR A 70 6.013 12.490 0.316 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.767 14.151 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.871 14.802 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.786 14.116 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.552 15.277 -0.801 1.00 0.00 H new ATOM 1088 N PHE A 71 2.937 11.633 0.498 1.00 0.00 N ATOM 1089 CA PHE A 71 2.241 10.483 1.064 1.00 0.00 C ATOM 1090 C PHE A 71 1.534 9.684 -0.026 1.00 0.00 C ATOM 1091 O PHE A 71 1.671 8.464 -0.104 1.00 0.00 O ATOM 1092 CB PHE A 71 1.228 10.941 2.116 1.00 0.00 C ATOM 1093 CG PHE A 71 0.281 9.858 2.547 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.677 8.899 3.465 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -1.005 9.799 2.034 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.192 7.901 3.865 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.878 8.804 2.431 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.471 7.853 3.346 1.00 0.00 C ATOM 0 H PHE A 71 2.766 12.512 0.987 1.00 0.00 H new ATOM 0 HA PHE A 71 2.981 9.839 1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.765 11.312 2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.654 11.777 1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.676 8.931 3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.328 10.538 1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.129 7.160 4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.879 8.770 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.151 7.073 3.655 1.00 0.00 H new ATOM 1108 N ALA A 72 0.775 10.382 -0.865 1.00 0.00 N ATOM 1109 CA ALA A 72 0.047 9.739 -1.952 1.00 0.00 C ATOM 1110 C ALA A 72 1.000 9.024 -2.904 1.00 0.00 C ATOM 1111 O ALA A 72 0.813 7.848 -3.219 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.787 10.763 -2.707 1.00 0.00 C ATOM 0 H ALA A 72 0.648 11.393 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.619 8.993 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.325 10.269 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.501 11.225 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.133 11.530 -3.122 1.00 0.00 H new ATOM 1118 N LEU A 73 2.021 9.741 -3.360 1.00 0.00 N ATOM 1119 CA LEU A 73 3.004 9.175 -4.278 1.00 0.00 C ATOM 1120 C LEU A 73 3.438 7.786 -3.821 1.00 0.00 C ATOM 1121 O LEU A 73 3.561 6.866 -4.631 1.00 0.00 O ATOM 1122 CB LEU A 73 4.222 10.094 -4.381 1.00 0.00 C ATOM 1123 CG LEU A 73 4.048 11.345 -5.243 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.123 12.371 -4.920 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.081 10.984 -6.721 1.00 0.00 C ATOM 0 H LEU A 73 2.190 10.715 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 73 2.540 9.086 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.502 10.406 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.056 9.516 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 73 3.076 11.784 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.982 13.254 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.052 12.654 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.106 11.942 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.956 11.887 -7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.038 10.520 -6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.273 10.287 -6.943 1.00 0.00 H new ATOM 1137 N ASP A 74 3.667 7.641 -2.521 1.00 0.00 N ATOM 1138 CA ASP A 74 4.085 6.363 -1.956 1.00 0.00 C ATOM 1139 C ASP A 74 2.963 5.334 -2.052 1.00 0.00 C ATOM 1140 O ASP A 74 3.184 4.195 -2.463 1.00 0.00 O ATOM 1141 CB ASP A 74 4.508 6.539 -0.497 1.00 0.00 C ATOM 1142 CG ASP A 74 5.906 7.109 -0.365 1.00 0.00 C ATOM 1143 OD1 ASP A 74 6.184 8.152 -0.992 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.724 6.511 0.366 1.00 0.00 O ATOM 0 H ASP A 74 3.570 8.393 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 74 4.937 6.001 -2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.801 7.198 0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.462 5.575 0.010 1.00 0.00 H new ATOM 1149 N VAL A 75 1.757 5.743 -1.670 1.00 0.00 N ATOM 1150 CA VAL A 75 0.600 4.857 -1.714 1.00 0.00 C ATOM 1151 C VAL A 75 0.368 4.325 -3.123 1.00 0.00 C ATOM 1152 O VAL A 75 0.404 3.116 -3.355 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.675 5.575 -1.232 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.873 4.640 -1.300 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.484 6.108 0.181 1.00 0.00 C ATOM 0 H VAL A 75 1.556 6.682 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 75 0.814 4.024 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.867 6.421 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.764 5.165 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.020 4.311 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.694 3.773 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.394 6.612 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.267 5.280 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.346 6.814 0.194 1.00 0.00 H new ATOM 1165 N ARG A 76 0.129 5.235 -4.062 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.110 4.856 -5.449 1.00 0.00 C ATOM 1167 C ARG A 76 0.977 3.909 -5.950 1.00 0.00 C ATOM 1168 O ARG A 76 0.705 2.983 -6.715 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.165 6.101 -6.337 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.167 7.142 -5.866 1.00 0.00 C ATOM 1171 CD ARG A 76 -1.047 8.432 -6.662 1.00 0.00 C ATOM 1172 NE ARG A 76 -2.095 9.388 -6.315 1.00 0.00 N ATOM 1173 CZ ARG A 76 -2.477 10.380 -7.112 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -1.901 10.544 -8.295 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -3.438 11.210 -6.726 1.00 0.00 N ATOM 0 H ARG A 76 0.096 6.239 -3.887 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.068 4.339 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.826 6.554 -6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.417 5.801 -7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.178 6.746 -5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.007 7.350 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.071 8.882 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.100 8.207 -7.727 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.559 9.289 -5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.163 9.908 -8.595 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.196 11.306 -8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.884 11.087 -5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.731 11.971 -7.338 1.00 0.00 H new ATOM 1189 N LEU A 77 2.209 4.148 -5.513 1.00 0.00 N ATOM 1190 CA LEU A 77 3.338 3.317 -5.917 1.00 0.00 C ATOM 1191 C LEU A 77 3.182 1.893 -5.391 1.00 0.00 C ATOM 1192 O LEU A 77 3.569 0.930 -6.052 1.00 0.00 O ATOM 1193 CB LEU A 77 4.648 3.920 -5.407 1.00 0.00 C ATOM 1194 CG LEU A 77 5.871 3.002 -5.449 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.558 3.089 -6.802 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.841 3.356 -4.332 1.00 0.00 C ATOM 0 H LEU A 77 2.451 4.910 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 77 3.360 3.282 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.867 4.811 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.498 4.246 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 77 5.536 1.975 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.426 2.429 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.862 2.786 -7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.880 4.115 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.705 2.693 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.169 4.389 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.344 3.240 -3.369 1.00 0.00 H new ATOM 1208 N VAL A 78 2.610 1.768 -4.198 1.00 0.00 N ATOM 1209 CA VAL A 78 2.399 0.463 -3.584 1.00 0.00 C ATOM 1210 C VAL A 78 1.659 -0.476 -4.530 1.00 0.00 C ATOM 1211 O VAL A 78 1.881 -1.687 -4.520 1.00 0.00 O ATOM 1212 CB VAL A 78 1.603 0.582 -2.271 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.234 -0.796 -1.743 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.398 1.363 -1.236 1.00 0.00 C ATOM 0 H VAL A 78 2.284 2.555 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 78 3.385 0.053 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 78 0.680 1.126 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.672 -0.692 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.623 -1.317 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.142 -1.369 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.821 1.438 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.338 0.849 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.606 2.363 -1.616 1.00 0.00 H new ATOM 1224 N PHE A 79 0.779 0.091 -5.349 1.00 0.00 N ATOM 1225 CA PHE A 79 0.005 -0.696 -6.302 1.00 0.00 C ATOM 1226 C PHE A 79 0.678 -0.707 -7.671 1.00 0.00 C ATOM 1227 O PHE A 79 0.611 -1.697 -8.400 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.414 -0.137 -6.424 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.010 0.279 -5.109 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.157 -0.638 -4.080 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.422 1.585 -4.902 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.706 -0.258 -2.870 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -2.971 1.970 -3.693 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.112 1.047 -2.675 1.00 0.00 C ATOM 0 H PHE A 79 0.584 1.092 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.046 -1.720 -5.933 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.401 0.721 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.055 -0.891 -6.882 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.839 -1.660 -4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.313 2.311 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.817 -0.982 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.289 2.991 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.539 1.346 -1.729 1.00 0.00 H new ATOM 1244 N ASP A 80 1.326 0.401 -8.014 1.00 0.00 N ATOM 1245 CA ASP A 80 2.013 0.520 -9.295 1.00 0.00 C ATOM 1246 C ASP A 80 3.033 -0.600 -9.471 1.00 0.00 C ATOM 1247 O ASP A 80 3.124 -1.209 -10.536 1.00 0.00 O ATOM 1248 CB ASP A 80 2.705 1.879 -9.403 1.00 0.00 C ATOM 1249 CG ASP A 80 3.520 2.015 -10.674 1.00 0.00 C ATOM 1250 OD1 ASP A 80 4.594 1.384 -10.760 1.00 0.00 O ATOM 1251 OD2 ASP A 80 3.083 2.752 -11.582 1.00 0.00 O ATOM 0 H ASP A 80 1.390 1.230 -7.423 1.00 0.00 H new ATOM 0 HA ASP A 80 1.269 0.437 -10.087 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.955 2.669 -9.370 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.356 2.021 -8.541 1.00 0.00 H new ATOM 1256 N ASN A 81 3.800 -0.865 -8.418 1.00 0.00 N ATOM 1257 CA ASN A 81 4.816 -1.911 -8.457 1.00 0.00 C ATOM 1258 C ASN A 81 4.173 -3.295 -8.443 1.00 0.00 C ATOM 1259 O ASN A 81 4.441 -4.123 -9.314 1.00 0.00 O ATOM 1260 CB ASN A 81 5.770 -1.768 -7.269 1.00 0.00 C ATOM 1261 CG ASN A 81 5.060 -1.315 -6.008 1.00 0.00 C ATOM 1262 OD1 ASN A 81 3.841 -1.445 -5.888 1.00 0.00 O ATOM 1263 ND2 ASN A 81 5.820 -0.779 -5.061 1.00 0.00 N ATOM 0 H ASN A 81 3.737 -0.370 -7.528 1.00 0.00 H new ATOM 0 HA ASN A 81 5.380 -1.801 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.260 -2.724 -7.083 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.553 -1.052 -7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.398 -0.455 -4.191 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.826 -0.691 -5.203 1.00 0.00 H new ATOM 1270 N CYS A 82 3.324 -3.537 -7.451 1.00 0.00 N ATOM 1271 CA CYS A 82 2.642 -4.820 -7.324 1.00 0.00 C ATOM 1272 C CYS A 82 1.978 -5.216 -8.638 1.00 0.00 C ATOM 1273 O CYS A 82 2.261 -6.278 -9.191 1.00 0.00 O ATOM 1274 CB CYS A 82 1.597 -4.757 -6.209 1.00 0.00 C ATOM 1275 SG CYS A 82 2.230 -5.210 -4.577 1.00 0.00 S ATOM 0 H CYS A 82 3.091 -2.862 -6.723 1.00 0.00 H new ATOM 0 HA CYS A 82 3.386 -5.576 -7.073 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.192 -3.746 -6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.770 -5.420 -6.463 1.00 0.00 H new ATOM 0 HG CYS A 82 1.370 -4.863 -3.666 1.00 0.00 H new ATOM 1281 N GLU A 83 1.094 -4.354 -9.132 1.00 0.00 N ATOM 1282 CA GLU A 83 0.389 -4.616 -10.381 1.00 0.00 C ATOM 1283 C GLU A 83 1.368 -4.976 -11.494 1.00 0.00 C ATOM 1284 O GLU A 83 1.059 -5.781 -12.374 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.440 -3.397 -10.790 1.00 0.00 C ATOM 1286 CG GLU A 83 0.313 -2.418 -11.674 1.00 0.00 C ATOM 1287 CD GLU A 83 -0.572 -1.302 -12.195 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -1.800 -1.510 -12.283 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -0.035 -0.220 -12.514 1.00 0.00 O ATOM 0 H GLU A 83 0.850 -3.470 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.278 -5.463 -10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.333 -3.735 -11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.776 -2.879 -9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.140 -1.987 -11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.748 -2.955 -12.517 1.00 0.00 H new ATOM 1296 N THR A 84 2.552 -4.372 -11.451 1.00 0.00 N ATOM 1297 CA THR A 84 3.577 -4.626 -12.455 1.00 0.00 C ATOM 1298 C THR A 84 4.181 -6.015 -12.285 1.00 0.00 C ATOM 1299 O THR A 84 4.189 -6.818 -13.219 1.00 0.00 O ATOM 1300 CB THR A 84 4.703 -3.577 -12.387 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.216 -2.306 -12.831 1.00 0.00 O ATOM 1302 CG2 THR A 84 5.888 -3.999 -13.242 1.00 0.00 C ATOM 0 H THR A 84 2.824 -3.703 -10.731 1.00 0.00 H new ATOM 0 HA THR A 84 3.089 -4.561 -13.428 1.00 0.00 H new ATOM 0 HB THR A 84 5.033 -3.497 -11.351 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.803 -1.833 -12.079 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.670 -3.243 -13.178 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.275 -4.953 -12.883 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.569 -4.105 -14.279 1.00 0.00 H new ATOM 1310 N PHE A 85 4.686 -6.294 -11.088 1.00 0.00 N ATOM 1311 CA PHE A 85 5.293 -7.587 -10.796 1.00 0.00 C ATOM 1312 C PHE A 85 4.250 -8.700 -10.839 1.00 0.00 C ATOM 1313 O PHE A 85 4.367 -9.645 -11.617 1.00 0.00 O ATOM 1314 CB PHE A 85 5.969 -7.559 -9.424 1.00 0.00 C ATOM 1315 CG PHE A 85 6.853 -8.746 -9.166 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.175 -8.745 -9.581 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.361 -9.863 -8.510 1.00 0.00 C ATOM 1318 CE1 PHE A 85 8.990 -9.836 -9.345 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.172 -10.956 -8.271 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.488 -10.943 -8.690 1.00 0.00 C ATOM 0 H PHE A 85 4.687 -5.641 -10.304 1.00 0.00 H new ATOM 0 HA PHE A 85 6.045 -7.788 -11.560 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.563 -6.649 -9.339 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.202 -7.513 -8.651 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.573 -7.882 -10.095 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.332 -9.880 -8.182 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.019 -9.823 -9.673 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.777 -11.820 -7.757 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.123 -11.797 -8.506 1.00 0.00 H new ATOM 1330 N ASN A 86 3.230 -8.579 -9.995 1.00 0.00 N ATOM 1331 CA ASN A 86 2.166 -9.574 -9.935 1.00 0.00 C ATOM 1332 C ASN A 86 1.403 -9.636 -11.255 1.00 0.00 C ATOM 1333 O ASN A 86 1.662 -8.853 -12.169 1.00 0.00 O ATOM 1334 CB ASN A 86 1.202 -9.252 -8.792 1.00 0.00 C ATOM 1335 CG ASN A 86 1.918 -9.061 -7.468 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.426 -10.016 -6.882 1.00 0.00 O ATOM 1337 ND2 ASN A 86 1.960 -7.822 -6.992 1.00 0.00 N ATOM 0 H ASN A 86 3.118 -7.802 -9.344 1.00 0.00 H new ATOM 0 HA ASN A 86 2.623 -10.547 -9.754 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.645 -8.347 -9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.475 -10.058 -8.696 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.428 -7.632 -6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.525 -7.061 -7.513 1.00 0.00 H new ATOM 1383 N SER A 90 -2.827 -13.943 -10.669 1.00 0.00 N ATOM 1384 CA SER A 90 -2.439 -14.219 -9.290 1.00 0.00 C ATOM 1385 C SER A 90 -3.273 -13.393 -8.316 1.00 0.00 C ATOM 1386 O SER A 90 -3.535 -12.213 -8.551 1.00 0.00 O ATOM 1387 CB SER A 90 -0.952 -13.920 -9.087 1.00 0.00 C ATOM 1388 OG SER A 90 -0.744 -12.552 -8.783 1.00 0.00 O ATOM 0 HA SER A 90 -2.620 -15.275 -9.092 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.560 -14.539 -8.280 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.398 -14.184 -9.988 1.00 0.00 H new ATOM 0 HG SER A 90 0.214 -12.387 -8.656 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.686 -14.021 -7.221 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.490 -13.346 -6.209 1.00 0.00 C ATOM 1396 C ASP A 91 -4.102 -11.875 -6.099 1.00 0.00 C ATOM 1397 O ASP A 91 -4.886 -10.989 -6.442 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.322 -14.033 -4.852 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.944 -15.415 -4.822 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -4.746 -16.176 -5.793 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -5.627 -15.736 -3.828 1.00 0.00 O ATOM 0 H ASP A 91 -3.477 -14.997 -7.011 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.535 -13.406 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.261 -14.110 -4.616 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.777 -13.416 -4.077 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.889 -11.622 -5.619 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.397 -10.259 -5.465 1.00 0.00 C ATOM 1408 C ILE A 92 -2.852 -9.376 -6.623 1.00 0.00 C ATOM 1409 O ILE A 92 -3.500 -8.351 -6.418 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.860 -10.220 -5.379 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.386 -10.840 -4.062 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.358 -8.790 -5.508 1.00 0.00 C ATOM 1413 CD1 ILE A 92 1.034 -10.469 -3.697 1.00 0.00 C ATOM 0 H ILE A 92 -2.229 -12.344 -5.330 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.814 -9.877 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.450 -10.804 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.053 -10.524 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.463 -11.925 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.730 -8.779 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.670 -8.380 -6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.774 -8.184 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.303 -10.943 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.712 -10.809 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.112 -9.387 -3.595 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.509 -9.784 -7.841 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.892 -9.020 -9.014 1.00 0.00 C ATOM 1427 C GLY A 93 -4.260 -8.383 -8.870 1.00 0.00 C ATOM 1428 O GLY A 93 -4.383 -7.159 -8.848 1.00 0.00 O ATOM 0 H GLY A 93 -1.973 -10.630 -8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.150 -8.243 -9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.889 -9.674 -9.886 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.292 -9.216 -8.774 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.658 -8.726 -8.635 1.00 0.00 C ATOM 1434 C ARG A 94 -6.757 -7.703 -7.507 1.00 0.00 C ATOM 1435 O ARG A 94 -7.387 -6.657 -7.658 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.614 -9.890 -8.367 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.547 -10.987 -9.417 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.741 -11.924 -9.321 1.00 0.00 C ATOM 1439 NE ARG A 94 -9.092 -12.498 -10.617 1.00 0.00 N ATOM 1440 CZ ARG A 94 -10.226 -13.150 -10.849 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -11.114 -13.309 -9.878 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -10.473 -13.644 -12.056 1.00 0.00 N ATOM 0 H ARG A 94 -5.208 -10.232 -8.790 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.940 -8.240 -9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.387 -10.319 -7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.634 -9.508 -8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.513 -10.540 -10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.626 -11.556 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.517 -12.726 -8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.597 -11.380 -8.921 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.430 -12.393 -11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.928 -12.930 -8.949 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.984 -13.810 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.792 -13.523 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.344 -14.145 -12.234 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.130 -8.014 -6.377 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.145 -7.121 -5.225 1.00 0.00 C ATOM 1458 C ALA A 95 -5.641 -5.732 -5.599 1.00 0.00 C ATOM 1459 O ALA A 95 -6.282 -4.726 -5.298 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.307 -7.702 -4.096 1.00 0.00 C ATOM 0 H ALA A 95 -5.606 -8.877 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.176 -7.025 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.327 -7.025 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.714 -8.669 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.279 -7.829 -4.434 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.487 -5.684 -6.258 1.00 0.00 N ATOM 1467 CA GLY A 96 -3.916 -4.412 -6.662 1.00 0.00 C ATOM 1468 C GLY A 96 -4.926 -3.515 -7.350 1.00 0.00 C ATOM 1469 O GLY A 96 -5.219 -2.418 -6.873 1.00 0.00 O ATOM 0 H GLY A 96 -3.938 -6.503 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.519 -3.901 -5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.077 -4.591 -7.334 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.459 -3.981 -8.475 1.00 0.00 N ATOM 1474 CA HIS A 97 -6.442 -3.212 -9.231 1.00 0.00 C ATOM 1475 C HIS A 97 -7.640 -2.855 -8.357 1.00 0.00 C ATOM 1476 O HIS A 97 -8.259 -1.806 -8.534 1.00 0.00 O ATOM 1477 CB HIS A 97 -6.906 -4.001 -10.455 1.00 0.00 C ATOM 1478 CG HIS A 97 -5.943 -3.949 -11.601 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -5.486 -2.769 -12.147 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.349 -4.942 -12.304 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -4.654 -3.037 -13.137 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -4.553 -4.349 -13.253 1.00 0.00 N ATOM 0 H HIS A 97 -5.227 -4.887 -8.883 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.968 -2.288 -9.562 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.062 -5.041 -10.169 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.870 -3.613 -10.783 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.477 -6.003 -12.148 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.143 -2.308 -13.748 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.978 -4.841 -13.936 1.00 0.00 H new ATOM 1490 N ASN A 98 -7.962 -3.734 -7.413 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.087 -3.512 -6.513 1.00 0.00 C ATOM 1492 C ASN A 98 -8.773 -2.403 -5.513 1.00 0.00 C ATOM 1493 O ASN A 98 -9.652 -1.634 -5.126 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.435 -4.802 -5.769 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.659 -4.650 -4.887 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.372 -3.649 -4.963 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -10.909 -5.645 -4.044 1.00 0.00 N ATOM 0 H ASN A 98 -7.459 -4.607 -7.252 1.00 0.00 H new ATOM 0 HA ASN A 98 -9.944 -3.205 -7.112 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.608 -5.599 -6.492 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.585 -5.106 -5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.719 -5.598 -3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.291 -6.456 -4.015 1.00 0.00 H new ATOM 1504 N MET A 99 -7.512 -2.328 -5.098 1.00 0.00 N ATOM 1505 CA MET A 99 -7.081 -1.313 -4.144 1.00 0.00 C ATOM 1506 C MET A 99 -6.861 0.027 -4.839 1.00 0.00 C ATOM 1507 O MET A 99 -7.045 1.086 -4.238 1.00 0.00 O ATOM 1508 CB MET A 99 -5.796 -1.755 -3.443 1.00 0.00 C ATOM 1509 CG MET A 99 -5.994 -2.922 -2.489 1.00 0.00 C ATOM 1510 SD MET A 99 -7.291 -2.614 -1.275 1.00 0.00 S ATOM 1511 CE MET A 99 -6.764 -1.038 -0.608 1.00 0.00 C ATOM 0 H MET A 99 -6.772 -2.958 -5.407 1.00 0.00 H new ATOM 0 HA MET A 99 -7.868 -1.191 -3.400 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.058 -2.033 -4.196 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.384 -0.910 -2.890 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.242 -3.816 -3.061 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.057 -3.125 -1.970 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.359 -0.798 0.273 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.711 -1.094 -0.330 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.900 -0.261 -1.360 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.465 -0.027 -6.107 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.218 1.183 -6.882 1.00 0.00 C ATOM 1523 C ARG A 100 -7.519 1.938 -7.140 1.00 0.00 C ATOM 1524 O ARG A 100 -7.575 3.162 -7.015 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.546 0.834 -8.211 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.385 2.024 -9.143 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.429 1.599 -10.602 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.109 1.223 -11.103 1.00 0.00 N ATOM 1529 CZ ARG A 100 -3.801 1.166 -12.394 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -4.715 1.458 -13.309 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.578 0.816 -12.771 1.00 0.00 N ATOM 0 H ARG A 100 -6.309 -0.895 -6.619 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.554 1.826 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.564 0.405 -8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.133 0.066 -8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.176 2.748 -8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.438 2.524 -8.937 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.112 0.757 -10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.827 2.415 -11.205 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.384 0.991 -10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.656 1.727 -13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.477 1.414 -14.300 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.873 0.590 -12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.343 0.773 -13.763 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.563 1.201 -7.502 1.00 0.00 N ATOM 1546 CA LYS A 101 -9.864 1.799 -7.778 1.00 0.00 C ATOM 1547 C LYS A 101 -10.493 2.346 -6.500 1.00 0.00 C ATOM 1548 O LYS A 101 -11.230 3.332 -6.533 1.00 0.00 O ATOM 1549 CB LYS A 101 -10.797 0.768 -8.417 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.432 -0.181 -7.416 1.00 0.00 C ATOM 1551 CD LYS A 101 -12.084 -1.366 -8.108 1.00 0.00 C ATOM 1552 CE LYS A 101 -13.546 -1.092 -8.424 1.00 0.00 C ATOM 1553 NZ LYS A 101 -13.702 -0.251 -9.643 1.00 0.00 N ATOM 0 H LYS A 101 -8.534 0.187 -7.611 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.716 2.626 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.585 1.291 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.236 0.188 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.673 -0.538 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.178 0.354 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.547 -1.591 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.007 -2.248 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.070 -2.037 -8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.013 -0.592 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.621 -0.450 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.655 0.754 -9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.939 -0.468 -10.315 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.196 1.702 -5.377 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.733 2.124 -4.089 1.00 0.00 C ATOM 1569 C TYR A 102 -9.970 3.330 -3.549 1.00 0.00 C ATOM 1570 O TYR A 102 -10.566 4.339 -3.173 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.668 0.973 -3.084 1.00 0.00 C ATOM 1572 CG TYR A 102 -11.275 1.308 -1.740 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -10.509 1.878 -0.732 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -12.616 1.054 -1.480 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -11.059 2.185 0.498 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -13.176 1.358 -0.254 1.00 0.00 C ATOM 1577 CZ TYR A 102 -12.393 1.923 0.732 1.00 0.00 C ATOM 1578 OH TYR A 102 -12.946 2.228 1.954 1.00 0.00 O ATOM 0 H TYR A 102 -9.586 0.886 -5.333 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.774 2.412 -4.235 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.184 0.108 -3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.627 0.685 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.465 2.085 -0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -13.231 0.611 -2.249 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.448 2.627 1.271 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.220 1.155 -0.068 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.895 1.982 1.954 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.646 3.217 -3.515 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.800 4.297 -3.021 1.00 0.00 C ATOM 1590 C PHE A 103 -8.261 5.644 -3.569 1.00 0.00 C ATOM 1591 O PHE A 103 -8.304 6.638 -2.845 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.341 4.048 -3.410 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.446 5.230 -3.168 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.091 5.594 -1.879 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.960 5.977 -4.229 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.268 6.681 -1.652 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -4.136 7.064 -4.008 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.790 7.417 -2.719 1.00 0.00 C ATOM 0 H PHE A 103 -8.136 2.389 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.881 4.320 -1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.963 3.195 -2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.296 3.778 -4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.462 5.021 -1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.228 5.707 -5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -3.999 6.954 -0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.763 7.637 -4.844 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.147 8.267 -2.545 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.605 5.668 -4.853 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.062 6.893 -5.499 1.00 0.00 C ATOM 1610 C GLU A 104 -10.409 7.336 -4.934 1.00 0.00 C ATOM 1611 O GLU A 104 -10.521 8.401 -4.328 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.173 6.688 -7.011 1.00 0.00 C ATOM 1613 CG GLU A 104 -7.858 6.314 -7.673 1.00 0.00 C ATOM 1614 CD GLU A 104 -6.901 7.487 -7.772 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -6.965 8.221 -8.780 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -6.089 7.670 -6.841 1.00 0.00 O ATOM 0 H GLU A 104 -8.576 4.853 -5.466 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.329 7.674 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.906 5.906 -7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.552 7.603 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.386 5.511 -7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.056 5.926 -8.672 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.430 6.510 -5.138 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.769 6.814 -4.650 1.00 0.00 C ATOM 1625 C LYS A 105 -12.727 7.277 -3.197 1.00 0.00 C ATOM 1626 O LYS A 105 -13.461 8.184 -2.802 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.672 5.585 -4.778 1.00 0.00 C ATOM 1628 CG LYS A 105 -14.004 5.221 -6.215 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.041 6.163 -6.803 1.00 0.00 C ATOM 1630 CE LYS A 105 -14.985 6.176 -8.323 1.00 0.00 C ATOM 1631 NZ LYS A 105 -15.620 7.397 -8.891 1.00 0.00 N ATOM 0 H LYS A 105 -11.355 5.624 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.175 7.622 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.185 4.735 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.599 5.768 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.097 5.254 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.376 4.197 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.036 5.859 -6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.875 7.171 -6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.946 6.122 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.488 5.291 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.561 7.368 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.618 7.436 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.125 8.241 -8.540 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.863 6.650 -2.406 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.722 7.000 -0.997 1.00 0.00 C ATOM 1647 C LYS A 106 -11.000 8.334 -0.837 1.00 0.00 C ATOM 1648 O LYS A 106 -11.513 9.255 -0.202 1.00 0.00 O ATOM 1649 CB LYS A 106 -10.959 5.902 -0.252 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.544 6.297 1.154 1.00 0.00 C ATOM 1651 CD LYS A 106 -11.741 6.382 2.086 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.351 6.943 3.445 1.00 0.00 C ATOM 1653 NZ LYS A 106 -12.544 7.271 4.273 1.00 0.00 N ATOM 0 H LYS A 106 -11.250 5.897 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.720 7.094 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.582 5.009 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.069 5.637 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.831 5.569 1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.034 7.260 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.508 7.013 1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.177 5.391 2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.731 6.218 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.747 7.840 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.236 7.650 5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.123 7.981 3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.108 6.411 4.426 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.810 8.430 -1.418 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.018 9.653 -1.340 1.00 0.00 C ATOM 1669 C TRP A 107 -9.825 10.855 -1.820 1.00 0.00 C ATOM 1670 O TRP A 107 -10.086 11.785 -1.056 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.743 9.513 -2.173 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.910 10.759 -2.196 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.163 11.902 -2.900 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.687 10.985 -1.486 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -6.172 12.825 -2.669 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.255 12.288 -1.805 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -4.917 10.216 -0.611 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.087 12.834 -1.280 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.758 10.759 -0.090 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.352 12.058 -0.425 1.00 0.00 C ATOM 0 H TRP A 107 -9.372 7.677 -1.948 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.746 9.815 -0.297 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.146 8.692 -1.775 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.012 9.245 -3.195 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.016 12.057 -3.543 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -6.127 13.759 -3.075 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.222 9.214 -0.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.772 13.834 -1.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.155 10.172 0.587 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.442 12.454 -0.000 1.00 0.00 H new ATOM 1691 N THR A 108 -10.218 10.829 -3.090 1.00 0.00 N ATOM 1692 CA THR A 108 -10.995 11.917 -3.671 1.00 0.00 C ATOM 1693 C THR A 108 -12.048 12.425 -2.693 1.00 0.00 C ATOM 1694 O THR A 108 -12.176 13.630 -2.474 1.00 0.00 O ATOM 1695 CB THR A 108 -11.689 11.478 -4.974 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.273 12.612 -5.624 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.765 10.440 -4.690 1.00 0.00 C ATOM 0 H THR A 108 -10.011 10.067 -3.735 1.00 0.00 H new ATOM 0 HA THR A 108 -10.294 12.721 -3.895 1.00 0.00 H new ATOM 0 HB THR A 108 -10.939 11.032 -5.627 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.711 12.325 -6.452 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.242 10.145 -5.625 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.313 9.566 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.513 10.865 -4.020 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.799 11.499 -2.107 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.841 11.854 -1.150 1.00 0.00 C ATOM 1707 C ASP A 109 -13.234 12.427 0.127 1.00 0.00 C ATOM 1708 O ASP A 109 -13.710 13.431 0.657 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.696 10.630 -0.818 1.00 0.00 C ATOM 1710 CG ASP A 109 -16.124 10.998 -0.469 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.386 11.306 0.713 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.980 10.980 -1.377 1.00 0.00 O ATOM 0 H ASP A 109 -12.706 10.498 -2.278 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.473 12.617 -1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.697 9.950 -1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.248 10.093 0.018 1.00 0.00 H new ATOM 1717 N THR A 110 -12.180 11.782 0.616 1.00 0.00 N ATOM 1718 CA THR A 110 -11.509 12.226 1.831 1.00 0.00 C ATOM 1719 C THR A 110 -11.356 13.743 1.853 1.00 0.00 C ATOM 1720 O THR A 110 -11.845 14.413 2.762 1.00 0.00 O ATOM 1721 CB THR A 110 -10.118 11.580 1.973 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.250 10.164 2.136 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.368 12.164 3.161 1.00 0.00 C ATOM 0 H THR A 110 -11.773 10.950 0.189 1.00 0.00 H new ATOM 0 HA THR A 110 -12.134 11.914 2.668 1.00 0.00 H new ATOM 0 HB THR A 110 -9.550 11.790 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.675 9.781 1.340 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.389 11.692 3.241 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.243 13.238 3.020 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.934 11.981 4.074 1.00 0.00 H new