USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 30:sc= -0.122 USER MOD Set 1.2: A 97 THR OG1 : rot -86:sc= -0.482 USER MOD Set 2.1: A 80 ASN : amide:sc= 0 K(o=-0.0075,f=-1.4) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -149:sc=-0.00749 (180deg=-0.785) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -123:sc= 1.15 (180deg=-0.198) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-10!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.329 USER MOD Single : A 54 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0969) USER MOD Single : A 57 CYS SG : rot 39:sc= 0.415 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -73:sc= 0.756 USER MOD Single : A 72 SER OG : rot -160:sc= -0.06 USER MOD Single : A 74 ASN : amide:sc= -0.0881 K(o=-0.088,f=-2!) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0.706 (180deg=0.7) USER MOD Single : A 77 SER OG : rot -96:sc= 1.25 USER MOD Single : A 81 THR OG1 : rot 92:sc= 1.29 USER MOD Single : A 83 CYS SG : rot 76:sc= -0.752 USER MOD Single : A 87 CYS SG : rot 130:sc= -0.201 USER MOD Single : A 89 HIS : no HD1:sc= -0.601 K(o=-0.6,f=-2.5) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 107 HIS : no HD1:sc= 0.49 K(o=0.49,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 5.458 7.303 -4.193 1.00 0.15 N ATOM 103 CA ARG A 9 6.512 8.162 -4.719 1.00 1.13 C ATOM 104 C ARG A 9 7.269 7.467 -5.847 1.00 75.45 C ATOM 105 O ARG A 9 6.863 6.406 -6.318 1.00 22.14 O ATOM 106 CB ARG A 9 7.483 8.554 -3.604 1.00 61.21 C ATOM 107 CG ARG A 9 7.756 10.047 -3.530 1.00 43.22 C ATOM 108 CD ARG A 9 8.214 10.461 -2.140 1.00 14.34 C ATOM 109 NE ARG A 9 7.473 11.617 -1.642 1.00 60.23 N ATOM 110 CZ ARG A 9 7.599 12.842 -2.139 1.00 2.02 C ATOM 111 NH1 ARG A 9 8.433 13.070 -3.145 1.00 55.14 N ATOM 112 NH2 ARG A 9 6.890 13.842 -1.632 1.00 44.15 N ATOM 0 HA ARG A 9 6.046 9.062 -5.119 1.00 1.13 H new ATOM 0 HB2 ARG A 9 7.079 8.219 -2.648 1.00 61.21 H new ATOM 0 HB3 ARG A 9 8.426 8.028 -3.754 1.00 61.21 H new ATOM 0 HG2 ARG A 9 8.519 10.315 -4.261 1.00 43.22 H new ATOM 0 HG3 ARG A 9 6.853 10.597 -3.796 1.00 43.22 H new ATOM 0 HD2 ARG A 9 8.087 9.625 -1.452 1.00 14.34 H new ATOM 0 HD3 ARG A 9 9.278 10.695 -2.164 1.00 14.34 H new ATOM 0 HE ARG A 9 6.822 11.475 -0.869 1.00 60.23 H new ATOM 0 HH11 ARG A 9 8.979 12.304 -3.538 1.00 55.14 H new ATOM 0 HH12 ARG A 9 8.528 14.012 -3.525 1.00 55.14 H new ATOM 0 HH21 ARG A 9 6.247 13.671 -0.859 1.00 44.15 H new ATOM 0 HH22 ARG A 9 6.988 14.782 -2.015 1.00 44.15 H new ATOM 126 N GLY A 10 8.372 8.073 -6.275 1.00 51.35 N ATOM 127 CA GLY A 10 9.168 7.499 -7.343 1.00 31.33 C ATOM 128 C GLY A 10 9.993 6.314 -6.880 1.00 44.10 C ATOM 129 O GLY A 10 9.832 5.202 -7.381 1.00 25.31 O ATOM 0 H GLY A 10 8.729 8.952 -5.900 1.00 51.35 H new ATOM 0 HA2 GLY A 10 8.510 7.185 -8.154 1.00 31.33 H new ATOM 0 HA3 GLY A 10 9.831 8.263 -7.748 1.00 31.33 H new ATOM 133 N LYS A 11 10.881 6.552 -5.921 1.00 42.35 N ATOM 134 CA LYS A 11 11.735 5.498 -5.389 1.00 62.03 C ATOM 135 C LYS A 11 10.947 4.572 -4.466 1.00 25.25 C ATOM 136 O LYS A 11 11.228 3.376 -4.381 1.00 12.35 O ATOM 137 CB LYS A 11 12.917 6.105 -4.629 1.00 32.55 C ATOM 138 CG LYS A 11 13.884 5.069 -4.081 1.00 63.05 C ATOM 139 CD LYS A 11 13.953 5.120 -2.564 1.00 42.22 C ATOM 140 CE LYS A 11 15.153 4.351 -2.034 1.00 61.21 C ATOM 141 NZ LYS A 11 15.181 4.323 -0.545 1.00 64.53 N ATOM 0 H LYS A 11 11.028 7.467 -5.496 1.00 42.35 H new ATOM 0 HA LYS A 11 12.111 4.913 -6.228 1.00 62.03 H new ATOM 0 HB2 LYS A 11 13.458 6.779 -5.293 1.00 32.55 H new ATOM 0 HB3 LYS A 11 12.537 6.707 -3.804 1.00 32.55 H new ATOM 0 HG2 LYS A 11 13.572 4.074 -4.399 1.00 63.05 H new ATOM 0 HG3 LYS A 11 14.877 5.240 -4.497 1.00 63.05 H new ATOM 0 HD2 LYS A 11 14.011 6.158 -2.236 1.00 42.22 H new ATOM 0 HD3 LYS A 11 13.038 4.704 -2.143 1.00 42.22 H new ATOM 0 HE2 LYS A 11 15.128 3.330 -2.416 1.00 61.21 H new ATOM 0 HE3 LYS A 11 16.070 4.808 -2.406 1.00 61.21 H new ATOM 0 HZ1 LYS A 11 16.014 3.790 -0.223 1.00 64.53 H new ATOM 0 HZ2 LYS A 11 15.231 5.296 -0.180 1.00 64.53 H new ATOM 0 HZ3 LYS A 11 14.318 3.864 -0.190 1.00 64.53 H new ATOM 155 N LYS A 12 9.958 5.133 -3.778 1.00 20.42 N ATOM 156 CA LYS A 12 9.127 4.357 -2.864 1.00 2.35 C ATOM 157 C LYS A 12 8.292 3.332 -3.625 1.00 23.25 C ATOM 158 O LYS A 12 8.190 2.176 -3.217 1.00 22.32 O ATOM 159 CB LYS A 12 8.209 5.286 -2.066 1.00 34.22 C ATOM 160 CG LYS A 12 8.956 6.351 -1.282 1.00 52.23 C ATOM 161 CD LYS A 12 9.368 5.847 0.091 1.00 52.54 C ATOM 162 CE LYS A 12 10.774 5.267 0.072 1.00 50.13 C ATOM 163 NZ LYS A 12 11.296 5.036 1.448 1.00 14.44 N ATOM 0 H LYS A 12 9.712 6.121 -3.836 1.00 20.42 H new ATOM 0 HA LYS A 12 9.785 3.825 -2.176 1.00 2.35 H new ATOM 0 HB2 LYS A 12 7.513 5.771 -2.750 1.00 34.22 H new ATOM 0 HB3 LYS A 12 7.613 4.689 -1.376 1.00 34.22 H new ATOM 0 HG2 LYS A 12 9.841 6.659 -1.838 1.00 52.23 H new ATOM 0 HG3 LYS A 12 8.325 7.233 -1.172 1.00 52.23 H new ATOM 0 HD2 LYS A 12 9.320 6.665 0.810 1.00 52.54 H new ATOM 0 HD3 LYS A 12 8.664 5.086 0.427 1.00 52.54 H new ATOM 0 HE2 LYS A 12 10.772 4.326 -0.478 1.00 50.13 H new ATOM 0 HE3 LYS A 12 11.440 5.946 -0.460 1.00 50.13 H new ATOM 0 HZ1 LYS A 12 12.256 4.640 1.393 1.00 14.44 H new ATOM 0 HZ2 LYS A 12 11.322 5.938 1.965 1.00 14.44 H new ATOM 0 HZ3 LYS A 12 10.675 4.368 1.948 1.00 14.44 H new ATOM 177 N ALA A 13 7.699 3.763 -4.734 1.00 52.43 N ATOM 178 CA ALA A 13 6.876 2.881 -5.553 1.00 40.02 C ATOM 179 C ALA A 13 7.625 1.599 -5.902 1.00 41.43 C ATOM 180 O ALA A 13 7.048 0.513 -5.903 1.00 62.21 O ATOM 181 CB ALA A 13 6.434 3.599 -6.820 1.00 75.35 C ATOM 0 H ALA A 13 7.773 4.718 -5.086 1.00 52.43 H new ATOM 0 HA ALA A 13 5.992 2.608 -4.976 1.00 40.02 H new ATOM 0 HB1 ALA A 13 5.820 2.929 -7.422 1.00 75.35 H new ATOM 0 HB2 ALA A 13 5.853 4.482 -6.554 1.00 75.35 H new ATOM 0 HB3 ALA A 13 7.311 3.900 -7.392 1.00 75.35 H new ATOM 187 N ASP A 14 8.913 1.735 -6.199 1.00 72.13 N ATOM 188 CA ASP A 14 9.742 0.587 -6.549 1.00 3.02 C ATOM 189 C ASP A 14 9.745 -0.444 -5.425 1.00 33.12 C ATOM 190 O ASP A 14 9.289 -1.572 -5.604 1.00 62.31 O ATOM 191 CB ASP A 14 11.172 1.037 -6.852 1.00 63.43 C ATOM 192 CG ASP A 14 11.740 0.367 -8.086 1.00 31.11 C ATOM 193 OD1 ASP A 14 12.083 -0.831 -8.007 1.00 31.41 O ATOM 194 OD2 ASP A 14 11.844 1.041 -9.133 1.00 11.02 O ATOM 0 H ASP A 14 9.405 2.628 -6.204 1.00 72.13 H new ATOM 0 HA ASP A 14 9.320 0.123 -7.441 1.00 3.02 H new ATOM 0 HB2 ASP A 14 11.188 2.118 -6.989 1.00 63.43 H new ATOM 0 HB3 ASP A 14 11.809 0.815 -5.996 1.00 63.43 H new ATOM 199 N GLU A 15 10.265 -0.047 -4.267 1.00 32.34 N ATOM 200 CA GLU A 15 10.330 -0.938 -3.115 1.00 61.43 C ATOM 201 C GLU A 15 8.970 -1.574 -2.841 1.00 35.20 C ATOM 202 O GLU A 15 8.886 -2.711 -2.375 1.00 63.11 O ATOM 203 CB GLU A 15 10.807 -0.175 -1.877 1.00 12.34 C ATOM 204 CG GLU A 15 12.244 -0.481 -1.490 1.00 72.53 C ATOM 205 CD GLU A 15 12.396 -1.846 -0.847 1.00 64.15 C ATOM 206 OE1 GLU A 15 11.803 -2.064 0.231 1.00 4.23 O ATOM 207 OE2 GLU A 15 13.108 -2.696 -1.420 1.00 31.24 O ATOM 0 H GLU A 15 10.647 0.885 -4.103 1.00 32.34 H new ATOM 0 HA GLU A 15 11.043 -1.730 -3.342 1.00 61.43 H new ATOM 0 HB2 GLU A 15 10.709 0.895 -2.060 1.00 12.34 H new ATOM 0 HB3 GLU A 15 10.154 -0.416 -1.038 1.00 12.34 H new ATOM 0 HG2 GLU A 15 12.874 -0.429 -2.378 1.00 72.53 H new ATOM 0 HG3 GLU A 15 12.601 0.283 -0.800 1.00 72.53 H new ATOM 214 N LEU A 16 7.908 -0.831 -3.133 1.00 52.14 N ATOM 215 CA LEU A 16 6.550 -1.320 -2.917 1.00 75.20 C ATOM 216 C LEU A 16 6.201 -2.415 -3.920 1.00 60.25 C ATOM 217 O LEU A 16 5.688 -3.470 -3.547 1.00 5.53 O ATOM 218 CB LEU A 16 5.549 -0.170 -3.032 1.00 22.22 C ATOM 219 CG LEU A 16 4.091 -0.516 -2.723 1.00 2.14 C ATOM 220 CD1 LEU A 16 3.397 -1.056 -3.964 1.00 72.40 C ATOM 221 CD2 LEU A 16 4.011 -1.522 -1.584 1.00 14.32 C ATOM 0 H LEU A 16 7.961 0.111 -3.520 1.00 52.14 H new ATOM 0 HA LEU A 16 6.496 -1.741 -1.913 1.00 75.20 H new ATOM 0 HB2 LEU A 16 5.863 0.627 -2.358 1.00 22.22 H new ATOM 0 HB3 LEU A 16 5.600 0.230 -4.045 1.00 22.22 H new ATOM 0 HG LEU A 16 3.579 0.395 -2.412 1.00 2.14 H new ATOM 0 HD11 LEU A 16 2.361 -1.297 -3.726 1.00 72.40 H new ATOM 0 HD12 LEU A 16 3.423 -0.303 -4.752 1.00 72.40 H new ATOM 0 HD13 LEU A 16 3.909 -1.956 -4.305 1.00 72.40 H new ATOM 0 HD21 LEU A 16 2.967 -1.756 -1.378 1.00 14.32 H new ATOM 0 HD22 LEU A 16 4.539 -2.433 -1.866 1.00 14.32 H new ATOM 0 HD23 LEU A 16 4.471 -1.098 -0.691 1.00 14.32 H new ATOM 233 N GLU A 17 6.485 -2.159 -5.192 1.00 15.55 N ATOM 234 CA GLU A 17 6.202 -3.123 -6.248 1.00 72.42 C ATOM 235 C GLU A 17 7.219 -4.262 -6.232 1.00 73.03 C ATOM 236 O GLU A 17 7.059 -5.261 -6.933 1.00 33.33 O ATOM 237 CB GLU A 17 6.212 -2.436 -7.615 1.00 30.40 C ATOM 238 CG GLU A 17 5.252 -1.262 -7.712 1.00 60.11 C ATOM 239 CD GLU A 17 3.815 -1.699 -7.923 1.00 3.24 C ATOM 240 OE1 GLU A 17 3.422 -1.901 -9.091 1.00 44.11 O ATOM 241 OE2 GLU A 17 3.085 -1.839 -6.919 1.00 23.44 O ATOM 0 H GLU A 17 6.911 -1.291 -5.517 1.00 15.55 H new ATOM 0 HA GLU A 17 5.211 -3.540 -6.067 1.00 72.42 H new ATOM 0 HB2 GLU A 17 7.222 -2.087 -7.830 1.00 30.40 H new ATOM 0 HB3 GLU A 17 5.957 -3.167 -8.382 1.00 30.40 H new ATOM 0 HG2 GLU A 17 5.317 -0.668 -6.800 1.00 60.11 H new ATOM 0 HG3 GLU A 17 5.556 -0.616 -8.536 1.00 60.11 H new ATOM 248 N ARG A 18 8.265 -4.102 -5.428 1.00 54.40 N ATOM 249 CA ARG A 18 9.309 -5.113 -5.321 1.00 23.11 C ATOM 250 C ARG A 18 8.903 -6.212 -4.344 1.00 23.22 C ATOM 251 O ARG A 18 9.347 -7.355 -4.460 1.00 33.33 O ATOM 252 CB ARG A 18 10.624 -4.475 -4.870 1.00 53.41 C ATOM 253 CG ARG A 18 11.563 -4.139 -6.016 1.00 32.44 C ATOM 254 CD ARG A 18 12.808 -3.417 -5.524 1.00 5.15 C ATOM 255 NE ARG A 18 13.808 -3.269 -6.579 1.00 64.13 N ATOM 256 CZ ARG A 18 14.906 -2.533 -6.451 1.00 13.12 C ATOM 257 NH1 ARG A 18 15.145 -1.882 -5.321 1.00 54.32 N ATOM 258 NH2 ARG A 18 15.770 -2.448 -7.455 1.00 42.42 N ATOM 0 H ARG A 18 8.412 -3.281 -4.841 1.00 54.40 H new ATOM 0 HA ARG A 18 9.449 -5.559 -6.306 1.00 23.11 H new ATOM 0 HB2 ARG A 18 10.404 -3.564 -4.313 1.00 53.41 H new ATOM 0 HB3 ARG A 18 11.131 -5.154 -4.184 1.00 53.41 H new ATOM 0 HG2 ARG A 18 11.852 -5.055 -6.531 1.00 32.44 H new ATOM 0 HG3 ARG A 18 11.043 -3.515 -6.743 1.00 32.44 H new ATOM 0 HD2 ARG A 18 12.531 -2.433 -5.147 1.00 5.15 H new ATOM 0 HD3 ARG A 18 13.241 -3.968 -4.689 1.00 5.15 H new ATOM 0 HE ARG A 18 13.655 -3.757 -7.461 1.00 64.13 H new ATOM 0 HH11 ARG A 18 14.484 -1.946 -4.546 1.00 54.32 H new ATOM 0 HH12 ARG A 18 15.989 -1.318 -5.226 1.00 54.32 H new ATOM 0 HH21 ARG A 18 15.591 -2.948 -8.326 1.00 42.42 H new ATOM 0 HH22 ARG A 18 16.613 -1.882 -7.356 1.00 42.42 H new ATOM 272 N ILE A 19 8.058 -5.858 -3.381 1.00 32.15 N ATOM 273 CA ILE A 19 7.592 -6.814 -2.385 1.00 74.33 C ATOM 274 C ILE A 19 6.659 -7.847 -3.007 1.00 25.23 C ATOM 275 O ILE A 19 5.784 -7.507 -3.803 1.00 1.43 O ATOM 276 CB ILE A 19 6.862 -6.110 -1.227 1.00 71.34 C ATOM 277 CG1 ILE A 19 7.792 -5.105 -0.544 1.00 22.14 C ATOM 278 CG2 ILE A 19 6.351 -7.133 -0.223 1.00 5.31 C ATOM 279 CD1 ILE A 19 7.089 -3.845 -0.088 1.00 14.00 C ATOM 0 H ILE A 19 7.683 -4.916 -3.270 1.00 32.15 H new ATOM 0 HA ILE A 19 8.476 -7.317 -1.994 1.00 74.33 H new ATOM 0 HB ILE A 19 6.007 -5.568 -1.632 1.00 71.34 H new ATOM 0 HG12 ILE A 19 8.260 -5.582 0.317 1.00 22.14 H new ATOM 0 HG13 ILE A 19 8.592 -4.836 -1.233 1.00 22.14 H new ATOM 0 HG21 ILE A 19 5.837 -6.620 0.590 1.00 5.31 H new ATOM 0 HG22 ILE A 19 5.658 -7.814 -0.718 1.00 5.31 H new ATOM 0 HG23 ILE A 19 7.191 -7.699 0.179 1.00 5.31 H new ATOM 0 HD11 ILE A 19 7.809 -3.178 0.387 1.00 14.00 H new ATOM 0 HD12 ILE A 19 6.644 -3.345 -0.948 1.00 14.00 H new ATOM 0 HD13 ILE A 19 6.307 -4.103 0.626 1.00 14.00 H new ATOM 291 N ARG A 20 6.851 -9.109 -2.638 1.00 63.33 N ATOM 292 CA ARG A 20 6.025 -10.191 -3.159 1.00 24.45 C ATOM 293 C ARG A 20 4.898 -10.532 -2.188 1.00 21.10 C ATOM 294 O ARG A 20 5.080 -10.491 -0.971 1.00 4.00 O ATOM 295 CB ARG A 20 6.879 -11.433 -3.422 1.00 10.21 C ATOM 296 CG ARG A 20 7.712 -11.342 -4.690 1.00 23.15 C ATOM 297 CD ARG A 20 9.130 -11.843 -4.463 1.00 3.21 C ATOM 298 NE ARG A 20 9.870 -11.977 -5.715 1.00 4.22 N ATOM 299 CZ ARG A 20 11.012 -12.645 -5.826 1.00 74.23 C ATOM 300 NH1 ARG A 20 11.542 -13.239 -4.765 1.00 64.23 N ATOM 301 NH2 ARG A 20 11.627 -12.723 -6.999 1.00 4.50 N ATOM 0 H ARG A 20 7.571 -9.407 -1.980 1.00 63.33 H new ATOM 0 HA ARG A 20 5.584 -9.856 -4.098 1.00 24.45 H new ATOM 0 HB2 ARG A 20 7.542 -11.594 -2.572 1.00 10.21 H new ATOM 0 HB3 ARG A 20 6.227 -12.304 -3.487 1.00 10.21 H new ATOM 0 HG2 ARG A 20 7.240 -11.927 -5.479 1.00 23.15 H new ATOM 0 HG3 ARG A 20 7.741 -10.308 -5.034 1.00 23.15 H new ATOM 0 HD2 ARG A 20 9.657 -11.154 -3.803 1.00 3.21 H new ATOM 0 HD3 ARG A 20 9.097 -12.808 -3.956 1.00 3.21 H new ATOM 0 HE ARG A 20 9.488 -11.533 -6.550 1.00 4.22 H new ATOM 0 HH11 ARG A 20 11.072 -13.183 -3.861 1.00 64.23 H new ATOM 0 HH12 ARG A 20 12.419 -13.752 -4.853 1.00 64.23 H new ATOM 0 HH21 ARG A 20 11.223 -12.269 -7.818 1.00 4.50 H new ATOM 0 HH22 ARG A 20 12.504 -13.237 -7.082 1.00 4.50 H new ATOM 315 N LEU A 21 3.735 -10.868 -2.735 1.00 64.44 N ATOM 316 CA LEU A 21 2.578 -11.216 -1.918 1.00 72.24 C ATOM 317 C LEU A 21 2.876 -12.428 -1.040 1.00 63.03 C ATOM 318 O LEU A 21 2.278 -12.598 0.024 1.00 34.14 O ATOM 319 CB LEU A 21 1.368 -11.503 -2.807 1.00 5.24 C ATOM 320 CG LEU A 21 0.630 -10.279 -3.352 1.00 41.43 C ATOM 321 CD1 LEU A 21 -0.405 -10.695 -4.384 1.00 4.45 C ATOM 322 CD2 LEU A 21 -0.026 -9.503 -2.219 1.00 74.33 C ATOM 0 H LEU A 21 3.568 -10.907 -3.741 1.00 64.44 H new ATOM 0 HA LEU A 21 2.353 -10.368 -1.272 1.00 72.24 H new ATOM 0 HB2 LEU A 21 1.698 -12.109 -3.651 1.00 5.24 H new ATOM 0 HB3 LEU A 21 0.660 -12.106 -2.239 1.00 5.24 H new ATOM 0 HG LEU A 21 1.357 -9.628 -3.839 1.00 41.43 H new ATOM 0 HD11 LEU A 21 -0.920 -9.811 -4.760 1.00 4.45 H new ATOM 0 HD12 LEU A 21 0.090 -11.206 -5.210 1.00 4.45 H new ATOM 0 HD13 LEU A 21 -1.129 -11.367 -3.923 1.00 4.45 H new ATOM 0 HD21 LEU A 21 -0.546 -8.636 -2.626 1.00 74.33 H new ATOM 0 HD22 LEU A 21 -0.740 -10.146 -1.703 1.00 74.33 H new ATOM 0 HD23 LEU A 21 0.738 -9.171 -1.515 1.00 74.33 H new ATOM 334 N ARG A 22 3.804 -13.265 -1.491 1.00 60.20 N ATOM 335 CA ARG A 22 4.182 -14.460 -0.746 1.00 62.45 C ATOM 336 C ARG A 22 5.680 -14.723 -0.865 1.00 33.44 C ATOM 337 O ARG A 22 6.357 -14.208 -1.754 1.00 14.21 O ATOM 338 CB ARG A 22 3.398 -15.672 -1.252 1.00 3.30 C ATOM 339 CG ARG A 22 2.100 -15.915 -0.499 1.00 32.14 C ATOM 340 CD ARG A 22 1.568 -17.318 -0.746 1.00 61.43 C ATOM 341 NE ARG A 22 1.934 -18.239 0.328 1.00 43.22 N ATOM 342 CZ ARG A 22 1.303 -18.293 1.496 1.00 32.35 C ATOM 343 NH1 ARG A 22 0.280 -17.485 1.740 1.00 12.23 N ATOM 344 NH2 ARG A 22 1.695 -19.158 2.423 1.00 45.31 N ATOM 0 H ARG A 22 4.308 -13.138 -2.369 1.00 60.20 H new ATOM 0 HA ARG A 22 3.942 -14.294 0.304 1.00 62.45 H new ATOM 0 HB2 ARG A 22 3.174 -15.534 -2.310 1.00 3.30 H new ATOM 0 HB3 ARG A 22 4.026 -16.559 -1.173 1.00 3.30 H new ATOM 0 HG2 ARG A 22 2.265 -15.770 0.569 1.00 32.14 H new ATOM 0 HG3 ARG A 22 1.355 -15.182 -0.809 1.00 32.14 H new ATOM 0 HD2 ARG A 22 0.483 -17.283 -0.839 1.00 61.43 H new ATOM 0 HD3 ARG A 22 1.958 -17.692 -1.693 1.00 61.43 H new ATOM 0 HE ARG A 22 2.716 -18.875 0.173 1.00 43.22 H new ATOM 0 HH11 ARG A 22 -0.025 -16.819 1.030 1.00 12.23 H new ATOM 0 HH12 ARG A 22 -0.202 -17.529 2.638 1.00 12.23 H new ATOM 0 HH21 ARG A 22 2.481 -19.782 2.239 1.00 45.31 H new ATOM 0 HH22 ARG A 22 1.210 -19.199 3.320 1.00 45.31 H new ATOM 358 N PRO A 23 6.211 -15.547 0.052 1.00 41.30 N ATOM 359 CA PRO A 23 7.634 -15.898 0.070 1.00 72.14 C ATOM 360 C PRO A 23 8.026 -16.791 -1.101 1.00 1.13 C ATOM 361 O PRO A 23 9.145 -16.714 -1.608 1.00 54.45 O ATOM 362 CB PRO A 23 7.797 -16.649 1.394 1.00 41.20 C ATOM 363 CG PRO A 23 6.443 -17.198 1.686 1.00 32.30 C ATOM 364 CD PRO A 23 5.464 -16.198 1.141 1.00 5.44 C ATOM 0 HA PRO A 23 8.272 -15.019 -0.018 1.00 72.14 H new ATOM 0 HB2 PRO A 23 8.537 -17.445 1.310 1.00 41.20 H new ATOM 0 HB3 PRO A 23 8.134 -15.983 2.188 1.00 41.20 H new ATOM 0 HG2 PRO A 23 6.308 -18.172 1.216 1.00 32.30 H new ATOM 0 HG3 PRO A 23 6.302 -17.338 2.758 1.00 32.30 H new ATOM 0 HD2 PRO A 23 4.558 -16.681 0.774 1.00 5.44 H new ATOM 0 HD3 PRO A 23 5.157 -15.481 1.902 1.00 5.44 H new ATOM 372 N GLY A 24 7.096 -17.640 -1.530 1.00 52.41 N ATOM 373 CA GLY A 24 7.365 -18.536 -2.640 1.00 71.14 C ATOM 374 C GLY A 24 6.523 -18.217 -3.858 1.00 4.35 C ATOM 375 O GLY A 24 6.423 -19.024 -4.781 1.00 3.22 O ATOM 0 H GLY A 24 6.162 -17.723 -1.129 1.00 52.41 H new ATOM 0 HA2 GLY A 24 8.420 -18.474 -2.905 1.00 71.14 H new ATOM 0 HA3 GLY A 24 7.174 -19.563 -2.329 1.00 71.14 H new ATOM 379 N GLY A 25 5.913 -17.035 -3.863 1.00 50.11 N ATOM 380 CA GLY A 25 5.082 -16.633 -4.982 1.00 43.45 C ATOM 381 C GLY A 25 5.832 -15.779 -5.984 1.00 3.44 C ATOM 382 O GLY A 25 7.045 -15.599 -5.873 1.00 4.23 O ATOM 0 H GLY A 25 5.980 -16.349 -3.111 1.00 50.11 H new ATOM 0 HA2 GLY A 25 4.697 -17.522 -5.483 1.00 43.45 H new ATOM 0 HA3 GLY A 25 4.220 -16.079 -4.610 1.00 43.45 H new ATOM 386 N LYS A 26 5.110 -15.250 -6.967 1.00 72.23 N ATOM 387 CA LYS A 26 5.714 -14.410 -7.994 1.00 71.31 C ATOM 388 C LYS A 26 4.885 -13.151 -8.224 1.00 44.22 C ATOM 389 O LYS A 26 5.131 -12.396 -9.165 1.00 64.42 O ATOM 390 CB LYS A 26 5.851 -15.190 -9.304 1.00 44.02 C ATOM 391 CG LYS A 26 7.176 -15.919 -9.443 1.00 61.14 C ATOM 392 CD LYS A 26 6.979 -17.347 -9.922 1.00 53.43 C ATOM 393 CE LYS A 26 8.231 -18.184 -9.708 1.00 31.52 C ATOM 394 NZ LYS A 26 7.941 -19.643 -9.779 1.00 13.14 N ATOM 0 H LYS A 26 4.105 -15.389 -7.074 1.00 72.23 H new ATOM 0 HA LYS A 26 6.705 -14.113 -7.649 1.00 71.31 H new ATOM 0 HB2 LYS A 26 5.039 -15.914 -9.373 1.00 44.02 H new ATOM 0 HB3 LYS A 26 5.736 -14.501 -10.141 1.00 44.02 H new ATOM 0 HG2 LYS A 26 7.815 -15.384 -10.145 1.00 61.14 H new ATOM 0 HG3 LYS A 26 7.692 -15.924 -8.483 1.00 61.14 H new ATOM 0 HD2 LYS A 26 6.142 -17.799 -9.389 1.00 53.43 H new ATOM 0 HD3 LYS A 26 6.718 -17.344 -10.980 1.00 53.43 H new ATOM 0 HE2 LYS A 26 8.975 -17.924 -10.461 1.00 31.52 H new ATOM 0 HE3 LYS A 26 8.665 -17.947 -8.737 1.00 31.52 H new ATOM 0 HZ1 LYS A 26 8.819 -20.179 -9.628 1.00 13.14 H new ATOM 0 HZ2 LYS A 26 7.250 -19.896 -9.044 1.00 13.14 H new ATOM 0 HZ3 LYS A 26 7.551 -19.874 -10.715 1.00 13.14 H new ATOM 408 N LYS A 27 3.903 -12.928 -7.357 1.00 61.10 N ATOM 409 CA LYS A 27 3.038 -11.759 -7.463 1.00 1.41 C ATOM 410 C LYS A 27 3.567 -10.612 -6.607 1.00 65.24 C ATOM 411 O LYS A 27 3.995 -10.819 -5.471 1.00 40.54 O ATOM 412 CB LYS A 27 1.612 -12.113 -7.037 1.00 43.04 C ATOM 413 CG LYS A 27 1.003 -13.252 -7.836 1.00 11.32 C ATOM 414 CD LYS A 27 -0.491 -13.056 -8.036 1.00 1.20 C ATOM 415 CE LYS A 27 -1.014 -13.899 -9.189 1.00 1.14 C ATOM 416 NZ LYS A 27 -0.720 -13.276 -10.510 1.00 44.44 N ATOM 0 H LYS A 27 3.686 -13.542 -6.572 1.00 61.10 H new ATOM 0 HA LYS A 27 3.029 -11.438 -8.505 1.00 1.41 H new ATOM 0 HB2 LYS A 27 1.614 -12.382 -5.981 1.00 43.04 H new ATOM 0 HB3 LYS A 27 0.981 -11.230 -7.140 1.00 43.04 H new ATOM 0 HG2 LYS A 27 1.495 -13.321 -8.806 1.00 11.32 H new ATOM 0 HG3 LYS A 27 1.181 -14.196 -7.320 1.00 11.32 H new ATOM 0 HD2 LYS A 27 -1.020 -13.322 -7.121 1.00 1.20 H new ATOM 0 HD3 LYS A 27 -0.698 -12.004 -8.230 1.00 1.20 H new ATOM 0 HE2 LYS A 27 -0.564 -14.891 -9.147 1.00 1.14 H new ATOM 0 HE3 LYS A 27 -2.090 -14.033 -9.082 1.00 1.14 H new ATOM 0 HZ1 LYS A 27 -1.092 -13.881 -11.270 1.00 44.44 H new ATOM 0 HZ2 LYS A 27 -1.171 -12.340 -10.560 1.00 44.44 H new ATOM 0 HZ3 LYS A 27 0.309 -13.172 -10.623 1.00 44.44 H new ATOM 430 N LYS A 28 3.532 -9.404 -7.157 1.00 22.14 N ATOM 431 CA LYS A 28 4.004 -8.223 -6.444 1.00 71.32 C ATOM 432 C LYS A 28 2.838 -7.319 -6.057 1.00 75.23 C ATOM 433 O LYS A 28 1.846 -7.226 -6.780 1.00 12.12 O ATOM 434 CB LYS A 28 5.002 -7.447 -7.304 1.00 15.21 C ATOM 435 CG LYS A 28 6.372 -8.100 -7.388 1.00 24.11 C ATOM 436 CD LYS A 28 7.017 -7.871 -8.744 1.00 61.22 C ATOM 437 CE LYS A 28 7.174 -9.173 -9.514 1.00 70.41 C ATOM 438 NZ LYS A 28 5.856 -9.782 -9.849 1.00 62.21 N ATOM 0 H LYS A 28 3.181 -9.216 -8.096 1.00 22.14 H new ATOM 0 HA LYS A 28 4.501 -8.555 -5.533 1.00 71.32 H new ATOM 0 HB2 LYS A 28 4.597 -7.342 -8.310 1.00 15.21 H new ATOM 0 HB3 LYS A 28 5.113 -6.441 -6.899 1.00 15.21 H new ATOM 0 HG2 LYS A 28 7.016 -7.699 -6.605 1.00 24.11 H new ATOM 0 HG3 LYS A 28 6.278 -9.170 -7.205 1.00 24.11 H new ATOM 0 HD2 LYS A 28 6.410 -7.175 -9.324 1.00 61.22 H new ATOM 0 HD3 LYS A 28 7.994 -7.407 -8.610 1.00 61.22 H new ATOM 0 HE2 LYS A 28 7.732 -8.987 -10.432 1.00 70.41 H new ATOM 0 HE3 LYS A 28 7.759 -9.877 -8.922 1.00 70.41 H new ATOM 0 HZ1 LYS A 28 5.811 -10.746 -9.462 1.00 62.21 H new ATOM 0 HZ2 LYS A 28 5.093 -9.207 -9.437 1.00 62.21 H new ATOM 0 HZ3 LYS A 28 5.743 -9.818 -10.882 1.00 62.21 H new ATOM 452 N TYR A 29 2.965 -6.653 -4.915 1.00 75.11 N ATOM 453 CA TYR A 29 1.922 -5.756 -4.433 1.00 73.04 C ATOM 454 C TYR A 29 1.570 -4.712 -5.488 1.00 73.41 C ATOM 455 O TYR A 29 2.433 -4.259 -6.240 1.00 1.20 O ATOM 456 CB TYR A 29 2.370 -5.064 -3.144 1.00 35.52 C ATOM 457 CG TYR A 29 2.009 -5.827 -1.890 1.00 71.13 C ATOM 458 CD1 TYR A 29 0.702 -5.847 -1.418 1.00 71.42 C ATOM 459 CD2 TYR A 29 2.974 -6.526 -1.175 1.00 53.12 C ATOM 460 CE1 TYR A 29 0.367 -6.543 -0.273 1.00 52.35 C ATOM 461 CE2 TYR A 29 2.648 -7.225 -0.029 1.00 2.23 C ATOM 462 CZ TYR A 29 1.343 -7.230 0.419 1.00 11.23 C ATOM 463 OH TYR A 29 1.014 -7.924 1.560 1.00 52.14 O ATOM 0 H TYR A 29 3.780 -6.717 -4.306 1.00 75.11 H new ATOM 0 HA TYR A 29 1.033 -6.352 -4.227 1.00 73.04 H new ATOM 0 HB2 TYR A 29 3.450 -4.922 -3.174 1.00 35.52 H new ATOM 0 HB3 TYR A 29 1.919 -4.073 -3.098 1.00 35.52 H new ATOM 0 HD1 TYR A 29 -0.065 -5.309 -1.956 1.00 71.42 H new ATOM 0 HD2 TYR A 29 3.997 -6.523 -1.521 1.00 53.12 H new ATOM 0 HE1 TYR A 29 -0.654 -6.549 0.079 1.00 52.35 H new ATOM 0 HE2 TYR A 29 3.410 -7.765 0.513 1.00 2.23 H new ATOM 0 HH TYR A 29 0.088 -8.237 1.497 1.00 52.14 H new ATOM 473 N ARG A 30 0.298 -4.334 -5.535 1.00 2.55 N ATOM 474 CA ARG A 30 -0.170 -3.344 -6.498 1.00 22.22 C ATOM 475 C ARG A 30 -1.391 -2.600 -5.964 1.00 72.42 C ATOM 476 O ARG A 30 -1.960 -2.977 -4.938 1.00 45.11 O ATOM 477 CB ARG A 30 -0.512 -4.017 -7.828 1.00 15.24 C ATOM 478 CG ARG A 30 0.249 -3.444 -9.014 1.00 62.54 C ATOM 479 CD ARG A 30 -0.681 -3.130 -10.173 1.00 5.32 C ATOM 480 NE ARG A 30 0.053 -2.837 -11.401 1.00 22.32 N ATOM 481 CZ ARG A 30 -0.530 -2.476 -12.539 1.00 64.12 C ATOM 482 NH1 ARG A 30 -1.849 -2.362 -12.604 1.00 25.32 N ATOM 483 NH2 ARG A 30 0.207 -2.227 -13.614 1.00 40.13 N ATOM 0 H ARG A 30 -0.428 -4.698 -4.918 1.00 2.55 H new ATOM 0 HA ARG A 30 0.632 -2.623 -6.658 1.00 22.22 H new ATOM 0 HB2 ARG A 30 -0.299 -5.083 -7.751 1.00 15.24 H new ATOM 0 HB3 ARG A 30 -1.582 -3.918 -8.011 1.00 15.24 H new ATOM 0 HG2 ARG A 30 0.771 -2.537 -8.709 1.00 62.54 H new ATOM 0 HG3 ARG A 30 1.009 -4.155 -9.338 1.00 62.54 H new ATOM 0 HD2 ARG A 30 -1.347 -3.976 -10.342 1.00 5.32 H new ATOM 0 HD3 ARG A 30 -1.308 -2.277 -9.913 1.00 5.32 H new ATOM 0 HE ARG A 30 1.070 -2.914 -11.384 1.00 22.32 H new ATOM 0 HH11 ARG A 30 -2.419 -2.552 -11.779 1.00 25.32 H new ATOM 0 HH12 ARG A 30 -2.294 -2.085 -13.479 1.00 25.32 H new ATOM 0 HH21 ARG A 30 1.222 -2.313 -13.567 1.00 40.13 H new ATOM 0 HH22 ARG A 30 -0.242 -1.950 -14.487 1.00 40.13 H new ATOM 497 N LEU A 31 -1.786 -1.543 -6.664 1.00 15.51 N ATOM 498 CA LEU A 31 -2.939 -0.746 -6.260 1.00 11.43 C ATOM 499 C LEU A 31 -4.148 -1.634 -5.989 1.00 4.21 C ATOM 500 O LEU A 31 -4.990 -1.318 -5.148 1.00 50.21 O ATOM 501 CB LEU A 31 -3.278 0.281 -7.343 1.00 72.12 C ATOM 502 CG LEU A 31 -2.301 1.447 -7.492 1.00 12.40 C ATOM 503 CD1 LEU A 31 -2.284 1.948 -8.928 1.00 12.21 C ATOM 504 CD2 LEU A 31 -2.665 2.574 -6.535 1.00 13.25 C ATOM 0 H LEU A 31 -1.325 -1.218 -7.514 1.00 15.51 H new ATOM 0 HA LEU A 31 -2.683 -0.223 -5.339 1.00 11.43 H new ATOM 0 HB2 LEU A 31 -3.342 -0.237 -8.300 1.00 72.12 H new ATOM 0 HB3 LEU A 31 -4.268 0.687 -7.133 1.00 72.12 H new ATOM 0 HG LEU A 31 -1.301 1.093 -7.240 1.00 12.40 H new ATOM 0 HD11 LEU A 31 -1.583 2.778 -9.015 1.00 12.21 H new ATOM 0 HD12 LEU A 31 -1.975 1.140 -9.591 1.00 12.21 H new ATOM 0 HD13 LEU A 31 -3.282 2.285 -9.208 1.00 12.21 H new ATOM 0 HD21 LEU A 31 -1.959 3.396 -6.655 1.00 13.25 H new ATOM 0 HD22 LEU A 31 -3.673 2.927 -6.755 1.00 13.25 H new ATOM 0 HD23 LEU A 31 -2.624 2.208 -5.509 1.00 13.25 H new ATOM 516 N LYS A 32 -4.228 -2.751 -6.705 1.00 2.34 N ATOM 517 CA LYS A 32 -5.331 -3.688 -6.541 1.00 64.42 C ATOM 518 C LYS A 32 -5.521 -4.053 -5.072 1.00 40.23 C ATOM 519 O LYS A 32 -6.648 -4.117 -4.578 1.00 53.01 O ATOM 520 CB LYS A 32 -5.079 -4.955 -7.363 1.00 42.01 C ATOM 521 CG LYS A 32 -5.854 -4.997 -8.668 1.00 45.21 C ATOM 522 CD LYS A 32 -5.153 -5.858 -9.705 1.00 52.13 C ATOM 523 CE LYS A 32 -6.066 -6.166 -10.883 1.00 74.33 C ATOM 524 NZ LYS A 32 -5.339 -6.864 -11.979 1.00 2.33 N ATOM 0 H LYS A 32 -3.540 -3.029 -7.405 1.00 2.34 H new ATOM 0 HA LYS A 32 -6.240 -3.205 -6.899 1.00 64.42 H new ATOM 0 HB2 LYS A 32 -4.014 -5.031 -7.580 1.00 42.01 H new ATOM 0 HB3 LYS A 32 -5.345 -5.826 -6.764 1.00 42.01 H new ATOM 0 HG2 LYS A 32 -6.855 -5.388 -8.485 1.00 45.21 H new ATOM 0 HG3 LYS A 32 -5.973 -3.985 -9.054 1.00 45.21 H new ATOM 0 HD2 LYS A 32 -4.259 -5.346 -10.060 1.00 52.13 H new ATOM 0 HD3 LYS A 32 -4.825 -6.790 -9.244 1.00 52.13 H new ATOM 0 HE2 LYS A 32 -6.897 -6.785 -10.546 1.00 74.33 H new ATOM 0 HE3 LYS A 32 -6.494 -5.238 -11.264 1.00 74.33 H new ATOM 0 HZ1 LYS A 32 -5.995 -7.056 -12.763 1.00 2.33 H new ATOM 0 HZ2 LYS A 32 -4.561 -6.262 -12.318 1.00 2.33 H new ATOM 0 HZ3 LYS A 32 -4.953 -7.761 -11.623 1.00 2.33 H new ATOM 538 N HIS A 33 -4.413 -4.290 -4.377 1.00 2.34 N ATOM 539 CA HIS A 33 -4.457 -4.646 -2.963 1.00 50.22 C ATOM 540 C HIS A 33 -4.768 -3.422 -2.106 1.00 74.05 C ATOM 541 O HIS A 33 -5.480 -3.591 -1.116 1.00 73.52 O ATOM 542 CB HIS A 33 -3.127 -5.263 -2.528 1.00 24.34 C ATOM 543 CG HIS A 33 -2.643 -6.346 -3.444 1.00 52.25 C ATOM 544 ND1 HIS A 33 -1.496 -6.234 -4.200 1.00 22.23 N ATOM 545 CD2 HIS A 33 -3.156 -7.567 -3.719 1.00 21.33 C ATOM 546 CE1 HIS A 33 -1.327 -7.339 -4.904 1.00 74.51 C ATOM 547 NE2 HIS A 33 -2.320 -8.165 -4.629 1.00 70.40 N ATOM 0 H HIS A 33 -3.473 -4.242 -4.770 1.00 2.34 H new ATOM 0 HA HIS A 33 -5.251 -5.379 -2.822 1.00 50.22 H new ATOM 0 HB2 HIS A 33 -2.372 -4.479 -2.475 1.00 24.34 H new ATOM 0 HB3 HIS A 33 -3.236 -5.670 -1.523 1.00 24.34 H new ATOM 0 HD2 HIS A 33 -4.056 -7.992 -3.300 1.00 21.33 H new ATOM 0 HE1 HIS A 33 -0.515 -7.534 -5.588 1.00 74.51 H new ATOM 0 HE2 HIS A 33 -2.445 -9.095 -5.028 1.00 70.40 H new ATOM 555 N ILE A 34 -4.270 -2.237 -2.445 1.00 23.33 N ATOM 556 CA ILE A 34 -4.540 -1.042 -1.657 1.00 51.24 C ATOM 557 C ILE A 34 -6.019 -0.674 -1.705 1.00 21.42 C ATOM 558 O ILE A 34 -6.593 -0.230 -0.711 1.00 52.24 O ATOM 559 CB ILE A 34 -3.708 0.158 -2.150 1.00 24.52 C ATOM 560 CG1 ILE A 34 -2.249 -0.255 -2.354 1.00 65.31 C ATOM 561 CG2 ILE A 34 -3.805 1.311 -1.163 1.00 64.32 C ATOM 562 CD1 ILE A 34 -1.340 0.898 -2.716 1.00 65.42 C ATOM 0 H ILE A 34 -3.677 -2.080 -3.260 1.00 23.33 H new ATOM 0 HA ILE A 34 -4.258 -1.272 -0.629 1.00 51.24 H new ATOM 0 HB ILE A 34 -4.109 0.491 -3.107 1.00 24.52 H new ATOM 0 HG12 ILE A 34 -1.882 -0.724 -1.441 1.00 65.31 H new ATOM 0 HG13 ILE A 34 -2.199 -1.007 -3.141 1.00 65.31 H new ATOM 0 HG21 ILE A 34 -3.212 2.151 -1.525 1.00 64.32 H new ATOM 0 HG22 ILE A 34 -4.846 1.618 -1.063 1.00 64.32 H new ATOM 0 HG23 ILE A 34 -3.426 0.992 -0.192 1.00 64.32 H new ATOM 0 HD11 ILE A 34 -0.322 0.532 -2.845 1.00 65.42 H new ATOM 0 HD12 ILE A 34 -1.683 1.354 -3.645 1.00 65.42 H new ATOM 0 HD13 ILE A 34 -1.360 1.641 -1.919 1.00 65.42 H new ATOM 574 N VAL A 35 -6.633 -0.865 -2.869 1.00 62.50 N ATOM 575 CA VAL A 35 -8.047 -0.557 -3.046 1.00 4.23 C ATOM 576 C VAL A 35 -8.920 -1.463 -2.185 1.00 21.24 C ATOM 577 O VAL A 35 -9.930 -1.027 -1.633 1.00 4.00 O ATOM 578 CB VAL A 35 -8.473 -0.702 -4.520 1.00 41.03 C ATOM 579 CG1 VAL A 35 -9.956 -0.404 -4.679 1.00 13.24 C ATOM 580 CG2 VAL A 35 -7.639 0.210 -5.407 1.00 32.12 C ATOM 0 H VAL A 35 -6.173 -1.231 -3.703 1.00 62.50 H new ATOM 0 HA VAL A 35 -8.186 0.478 -2.735 1.00 4.23 H new ATOM 0 HB VAL A 35 -8.299 -1.732 -4.831 1.00 41.03 H new ATOM 0 HG11 VAL A 35 -10.238 -0.511 -5.726 1.00 13.24 H new ATOM 0 HG12 VAL A 35 -10.534 -1.102 -4.074 1.00 13.24 H new ATOM 0 HG13 VAL A 35 -10.159 0.615 -4.351 1.00 13.24 H new ATOM 0 HG21 VAL A 35 -7.953 0.095 -6.444 1.00 32.12 H new ATOM 0 HG22 VAL A 35 -7.779 1.246 -5.098 1.00 32.12 H new ATOM 0 HG23 VAL A 35 -6.586 -0.056 -5.315 1.00 32.12 H new ATOM 590 N TRP A 36 -8.523 -2.726 -2.075 1.00 45.22 N ATOM 591 CA TRP A 36 -9.269 -3.694 -1.279 1.00 41.43 C ATOM 592 C TRP A 36 -9.130 -3.399 0.210 1.00 50.21 C ATOM 593 O TRP A 36 -10.056 -3.628 0.987 1.00 3.13 O ATOM 594 CB TRP A 36 -8.784 -5.113 -1.578 1.00 74.31 C ATOM 595 CG TRP A 36 -9.514 -6.167 -0.803 1.00 1.11 C ATOM 596 CD1 TRP A 36 -10.689 -6.771 -1.147 1.00 64.41 C ATOM 597 CD2 TRP A 36 -9.118 -6.739 0.449 1.00 40.31 C ATOM 598 NE1 TRP A 36 -11.048 -7.684 -0.186 1.00 70.44 N ATOM 599 CE2 TRP A 36 -10.101 -7.684 0.803 1.00 73.22 C ATOM 600 CE3 TRP A 36 -8.029 -6.546 1.303 1.00 24.04 C ATOM 601 CZ2 TRP A 36 -10.024 -8.432 1.975 1.00 52.14 C ATOM 602 CZ3 TRP A 36 -7.955 -7.289 2.466 1.00 41.01 C ATOM 603 CH2 TRP A 36 -8.947 -8.223 2.794 1.00 3.44 C ATOM 0 H TRP A 36 -7.690 -3.103 -2.526 1.00 45.22 H new ATOM 0 HA TRP A 36 -10.322 -3.613 -1.549 1.00 41.43 H new ATOM 0 HB2 TRP A 36 -8.899 -5.311 -2.644 1.00 74.31 H new ATOM 0 HB3 TRP A 36 -7.719 -5.180 -1.354 1.00 74.31 H new ATOM 0 HD1 TRP A 36 -11.254 -6.562 -2.044 1.00 64.41 H new ATOM 0 HE1 TRP A 36 -11.884 -8.267 -0.206 1.00 70.44 H new ATOM 0 HE3 TRP A 36 -7.259 -5.829 1.059 1.00 24.04 H new ATOM 0 HZ2 TRP A 36 -10.788 -9.152 2.229 1.00 52.14 H new ATOM 0 HZ3 TRP A 36 -7.118 -7.147 3.134 1.00 41.01 H new ATOM 0 HH2 TRP A 36 -8.860 -8.789 3.710 1.00 3.44 H new ATOM 614 N ALA A 37 -7.966 -2.889 0.601 1.00 63.05 N ATOM 615 CA ALA A 37 -7.708 -2.560 1.998 1.00 31.44 C ATOM 616 C ALA A 37 -8.557 -1.377 2.450 1.00 13.33 C ATOM 617 O ALA A 37 -9.316 -1.478 3.412 1.00 43.01 O ATOM 618 CB ALA A 37 -6.230 -2.262 2.204 1.00 3.52 C ATOM 0 H ALA A 37 -7.188 -2.695 -0.029 1.00 63.05 H new ATOM 0 HA ALA A 37 -7.982 -3.422 2.606 1.00 31.44 H new ATOM 0 HB1 ALA A 37 -6.051 -2.018 3.251 1.00 3.52 H new ATOM 0 HB2 ALA A 37 -5.641 -3.137 1.929 1.00 3.52 H new ATOM 0 HB3 ALA A 37 -5.939 -1.418 1.579 1.00 3.52 H new ATOM 624 N ALA A 38 -8.421 -0.256 1.749 1.00 45.44 N ATOM 625 CA ALA A 38 -9.177 0.946 2.077 1.00 52.24 C ATOM 626 C ALA A 38 -10.677 0.704 1.952 1.00 30.43 C ATOM 627 O ALA A 38 -11.464 1.190 2.762 1.00 43.13 O ATOM 628 CB ALA A 38 -8.750 2.100 1.183 1.00 0.42 C ATOM 0 H ALA A 38 -7.794 -0.156 0.951 1.00 45.44 H new ATOM 0 HA ALA A 38 -8.963 1.206 3.114 1.00 52.24 H new ATOM 0 HB1 ALA A 38 -9.323 2.991 1.440 1.00 0.42 H new ATOM 0 HB2 ALA A 38 -7.688 2.298 1.327 1.00 0.42 H new ATOM 0 HB3 ALA A 38 -8.932 1.839 0.140 1.00 0.42 H new ATOM 634 N ASN A 39 -11.065 -0.051 0.929 1.00 64.43 N ATOM 635 CA ASN A 39 -12.473 -0.357 0.696 1.00 72.31 C ATOM 636 C ASN A 39 -13.041 -1.204 1.831 1.00 35.12 C ATOM 637 O ASN A 39 -14.185 -1.022 2.244 1.00 44.34 O ATOM 638 CB ASN A 39 -12.643 -1.090 -0.636 1.00 2.43 C ATOM 639 CG ASN A 39 -14.100 -1.283 -1.008 1.00 60.44 C ATOM 640 OD1 ASN A 39 -14.906 -0.357 -0.911 1.00 63.52 O ATOM 641 ND2 ASN A 39 -14.445 -2.492 -1.434 1.00 25.45 N ATOM 0 H ASN A 39 -10.426 -0.462 0.249 1.00 64.43 H new ATOM 0 HA ASN A 39 -13.022 0.584 0.659 1.00 72.31 H new ATOM 0 HB2 ASN A 39 -12.141 -0.528 -1.424 1.00 2.43 H new ATOM 0 HB3 ASN A 39 -12.154 -2.062 -0.577 1.00 2.43 H new ATOM 0 HD21 ASN A 39 -15.412 -2.683 -1.697 1.00 25.45 H new ATOM 0 HD22 ASN A 39 -13.743 -3.229 -1.498 1.00 25.45 H new ATOM 648 N LYS A 40 -12.231 -2.132 2.331 1.00 40.12 N ATOM 649 CA LYS A 40 -12.650 -3.007 3.419 1.00 51.21 C ATOM 650 C LYS A 40 -12.772 -2.230 4.726 1.00 13.13 C ATOM 651 O LYS A 40 -13.651 -2.504 5.543 1.00 63.35 O ATOM 652 CB LYS A 40 -11.654 -4.156 3.589 1.00 20.31 C ATOM 653 CG LYS A 40 -11.882 -5.307 2.623 1.00 43.25 C ATOM 654 CD LYS A 40 -12.957 -6.254 3.130 1.00 2.11 C ATOM 655 CE LYS A 40 -13.653 -6.971 1.982 1.00 43.34 C ATOM 656 NZ LYS A 40 -15.099 -7.193 2.263 1.00 64.55 N ATOM 0 H LYS A 40 -11.281 -2.297 2.000 1.00 40.12 H new ATOM 0 HA LYS A 40 -13.628 -3.416 3.166 1.00 51.21 H new ATOM 0 HB2 LYS A 40 -10.643 -3.773 3.452 1.00 20.31 H new ATOM 0 HB3 LYS A 40 -11.717 -4.532 4.610 1.00 20.31 H new ATOM 0 HG2 LYS A 40 -12.172 -4.914 1.649 1.00 43.25 H new ATOM 0 HG3 LYS A 40 -10.950 -5.855 2.481 1.00 43.25 H new ATOM 0 HD2 LYS A 40 -12.511 -6.987 3.801 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -13.691 -5.696 3.711 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -13.546 -6.385 1.069 1.00 43.34 H new ATOM 0 HE3 LYS A 40 -13.166 -7.930 1.804 1.00 43.34 H new ATOM 0 HZ1 LYS A 40 -15.538 -7.684 1.458 1.00 64.55 H new ATOM 0 HZ2 LYS A 40 -15.201 -7.774 3.120 1.00 64.55 H new ATOM 0 HZ3 LYS A 40 -15.569 -6.277 2.408 1.00 64.55 H new ATOM 670 N LEU A 41 -11.886 -1.259 4.917 1.00 1.25 N ATOM 671 CA LEU A 41 -11.895 -0.439 6.124 1.00 23.45 C ATOM 672 C LEU A 41 -13.203 0.336 6.245 1.00 62.33 C ATOM 673 O LEU A 41 -13.963 0.146 7.195 1.00 72.44 O ATOM 674 CB LEU A 41 -10.713 0.530 6.115 1.00 54.32 C ATOM 675 CG LEU A 41 -9.347 -0.073 6.444 1.00 73.52 C ATOM 676 CD1 LEU A 41 -8.237 0.923 6.149 1.00 10.23 C ATOM 677 CD2 LEU A 41 -9.295 -0.514 7.900 1.00 64.22 C ATOM 0 H LEU A 41 -11.151 -1.020 4.251 1.00 1.25 H new ATOM 0 HA LEU A 41 -11.806 -1.102 6.985 1.00 23.45 H new ATOM 0 HB2 LEU A 41 -10.656 0.992 5.130 1.00 54.32 H new ATOM 0 HB3 LEU A 41 -10.917 1.327 6.830 1.00 54.32 H new ATOM 0 HG LEU A 41 -9.198 -0.949 5.813 1.00 73.52 H new ATOM 0 HD11 LEU A 41 -7.273 0.475 6.390 1.00 10.23 H new ATOM 0 HD12 LEU A 41 -8.259 1.190 5.093 1.00 10.23 H new ATOM 0 HD13 LEU A 41 -8.382 1.819 6.753 1.00 10.23 H new ATOM 0 HD21 LEU A 41 -8.316 -0.941 8.116 1.00 64.22 H new ATOM 0 HD22 LEU A 41 -9.467 0.346 8.547 1.00 64.22 H new ATOM 0 HD23 LEU A 41 -10.065 -1.264 8.081 1.00 64.22 H new ATOM 689 N ASP A 42 -13.460 1.207 5.276 1.00 50.35 N ATOM 690 CA ASP A 42 -14.678 2.010 5.273 1.00 31.22 C ATOM 691 C ASP A 42 -15.908 1.131 5.481 1.00 55.25 C ATOM 692 O ASP A 42 -16.795 1.465 6.267 1.00 75.32 O ATOM 693 CB ASP A 42 -14.802 2.780 3.958 1.00 42.45 C ATOM 694 CG ASP A 42 -14.640 4.276 4.145 1.00 44.44 C ATOM 695 OD1 ASP A 42 -13.632 4.692 4.754 1.00 63.23 O ATOM 696 OD2 ASP A 42 -15.523 5.031 3.684 1.00 51.12 O ATOM 0 H ASP A 42 -12.842 1.375 4.482 1.00 50.35 H new ATOM 0 HA ASP A 42 -14.618 2.721 6.097 1.00 31.22 H new ATOM 0 HB2 ASP A 42 -14.048 2.421 3.258 1.00 42.45 H new ATOM 0 HB3 ASP A 42 -15.775 2.576 3.511 1.00 42.45 H new ATOM 701 N ARG A 43 -15.954 0.009 4.771 1.00 43.31 N ATOM 702 CA ARG A 43 -17.076 -0.915 4.876 1.00 34.22 C ATOM 703 C ARG A 43 -17.172 -1.496 6.284 1.00 1.03 C ATOM 704 O ARG A 43 -18.151 -1.270 6.994 1.00 71.02 O ATOM 705 CB ARG A 43 -16.930 -2.046 3.855 1.00 44.23 C ATOM 706 CG ARG A 43 -18.230 -2.405 3.154 1.00 51.50 C ATOM 707 CD ARG A 43 -18.335 -3.901 2.907 1.00 62.14 C ATOM 708 NE ARG A 43 -19.687 -4.297 2.520 1.00 31.43 N ATOM 709 CZ ARG A 43 -19.988 -5.492 2.021 1.00 75.34 C ATOM 710 NH1 ARG A 43 -19.038 -6.402 1.852 1.00 41.11 N ATOM 711 NH2 ARG A 43 -21.240 -5.778 1.692 1.00 25.03 N ATOM 0 H ARG A 43 -15.227 -0.282 4.117 1.00 43.31 H new ATOM 0 HA ARG A 43 -17.991 -0.361 4.667 1.00 34.22 H new ATOM 0 HB2 ARG A 43 -16.192 -1.756 3.107 1.00 44.23 H new ATOM 0 HB3 ARG A 43 -16.542 -2.931 4.359 1.00 44.23 H new ATOM 0 HG2 ARG A 43 -19.074 -2.075 3.759 1.00 51.50 H new ATOM 0 HG3 ARG A 43 -18.291 -1.873 2.205 1.00 51.50 H new ATOM 0 HD2 ARG A 43 -17.634 -4.189 2.123 1.00 62.14 H new ATOM 0 HD3 ARG A 43 -18.044 -4.439 3.809 1.00 62.14 H new ATOM 0 HE ARG A 43 -20.441 -3.620 2.639 1.00 31.43 H new ATOM 0 HH11 ARG A 43 -18.074 -6.186 2.105 1.00 41.11 H new ATOM 0 HH12 ARG A 43 -19.272 -7.318 1.469 1.00 41.11 H new ATOM 0 HH21 ARG A 43 -21.973 -5.081 1.822 1.00 25.03 H new ATOM 0 HH22 ARG A 43 -21.470 -6.695 1.309 1.00 25.03 H new ATOM 725 N PHE A 44 -16.149 -2.247 6.680 1.00 1.34 N ATOM 726 CA PHE A 44 -16.119 -2.861 8.002 1.00 54.50 C ATOM 727 C PHE A 44 -16.478 -1.846 9.082 1.00 42.34 C ATOM 728 O PHE A 44 -17.108 -2.184 10.084 1.00 20.53 O ATOM 729 CB PHE A 44 -14.735 -3.451 8.282 1.00 13.53 C ATOM 730 CG PHE A 44 -14.525 -4.805 7.668 1.00 34.00 C ATOM 731 CD1 PHE A 44 -15.441 -5.824 7.876 1.00 72.31 C ATOM 732 CD2 PHE A 44 -13.413 -5.060 6.882 1.00 14.22 C ATOM 733 CE1 PHE A 44 -15.250 -7.072 7.313 1.00 62.10 C ATOM 734 CE2 PHE A 44 -13.216 -6.306 6.316 1.00 41.45 C ATOM 735 CZ PHE A 44 -14.137 -7.312 6.531 1.00 11.03 C ATOM 0 H PHE A 44 -15.331 -2.445 6.104 1.00 1.34 H new ATOM 0 HA PHE A 44 -16.859 -3.661 8.020 1.00 54.50 H new ATOM 0 HB2 PHE A 44 -13.974 -2.768 7.904 1.00 13.53 H new ATOM 0 HB3 PHE A 44 -14.591 -3.524 9.360 1.00 13.53 H new ATOM 0 HD1 PHE A 44 -16.314 -5.641 8.485 1.00 72.31 H new ATOM 0 HD2 PHE A 44 -12.691 -4.276 6.709 1.00 14.22 H new ATOM 0 HE1 PHE A 44 -15.970 -7.858 7.484 1.00 62.10 H new ATOM 0 HE2 PHE A 44 -12.344 -6.492 5.707 1.00 41.45 H new ATOM 0 HZ PHE A 44 -13.987 -8.286 6.088 1.00 11.03 H new ATOM 745 N GLY A 45 -16.074 -0.597 8.871 1.00 12.42 N ATOM 746 CA GLY A 45 -16.362 0.450 9.835 1.00 34.41 C ATOM 747 C GLY A 45 -15.166 1.347 10.091 1.00 65.42 C ATOM 748 O GLY A 45 -15.321 2.489 10.523 1.00 53.11 O ATOM 0 H GLY A 45 -15.552 -0.291 8.050 1.00 12.42 H new ATOM 0 HA2 GLY A 45 -17.194 1.054 9.473 1.00 34.41 H new ATOM 0 HA3 GLY A 45 -16.681 -0.002 10.774 1.00 34.41 H new ATOM 752 N LEU A 46 -13.972 0.827 9.828 1.00 3.44 N ATOM 753 CA LEU A 46 -12.745 1.589 10.034 1.00 21.55 C ATOM 754 C LEU A 46 -12.568 2.642 8.945 1.00 31.42 C ATOM 755 O LEU A 46 -13.199 2.572 7.891 1.00 45.23 O ATOM 756 CB LEU A 46 -11.537 0.651 10.054 1.00 24.40 C ATOM 757 CG LEU A 46 -11.054 0.208 11.436 1.00 14.35 C ATOM 758 CD1 LEU A 46 -10.431 -1.178 11.365 1.00 2.54 C ATOM 759 CD2 LEU A 46 -10.060 1.212 12.000 1.00 51.31 C ATOM 0 H LEU A 46 -13.827 -0.118 9.472 1.00 3.44 H new ATOM 0 HA LEU A 46 -12.819 2.097 10.995 1.00 21.55 H new ATOM 0 HB2 LEU A 46 -11.784 -0.239 9.475 1.00 24.40 H new ATOM 0 HB3 LEU A 46 -10.710 1.145 9.543 1.00 24.40 H new ATOM 0 HG LEU A 46 -11.915 0.164 12.103 1.00 14.35 H new ATOM 0 HD11 LEU A 46 -10.093 -1.476 12.357 1.00 2.54 H new ATOM 0 HD12 LEU A 46 -11.172 -1.892 11.004 1.00 2.54 H new ATOM 0 HD13 LEU A 46 -9.581 -1.160 10.683 1.00 2.54 H new ATOM 0 HD21 LEU A 46 -9.727 0.881 12.984 1.00 51.31 H new ATOM 0 HD22 LEU A 46 -9.201 1.288 11.333 1.00 51.31 H new ATOM 0 HD23 LEU A 46 -10.538 2.187 12.088 1.00 51.31 H new ATOM 771 N ALA A 47 -11.703 3.616 9.206 1.00 73.02 N ATOM 772 CA ALA A 47 -11.438 4.682 8.247 1.00 65.44 C ATOM 773 C ALA A 47 -10.057 4.525 7.619 1.00 24.51 C ATOM 774 O ALA A 47 -9.216 3.785 8.128 1.00 20.55 O ATOM 775 CB ALA A 47 -11.563 6.041 8.920 1.00 24.15 C ATOM 0 H ALA A 47 -11.173 3.689 10.074 1.00 73.02 H new ATOM 0 HA ALA A 47 -12.180 4.614 7.451 1.00 65.44 H new ATOM 0 HB1 ALA A 47 -11.363 6.827 8.192 1.00 24.15 H new ATOM 0 HB2 ALA A 47 -12.572 6.160 9.314 1.00 24.15 H new ATOM 0 HB3 ALA A 47 -10.844 6.110 9.736 1.00 24.15 H new ATOM 781 N GLU A 48 -9.833 5.226 6.513 1.00 12.51 N ATOM 782 CA GLU A 48 -8.554 5.162 5.816 1.00 10.43 C ATOM 783 C GLU A 48 -7.510 6.031 6.513 1.00 22.22 C ATOM 784 O GLU A 48 -6.370 6.132 6.062 1.00 34.31 O ATOM 785 CB GLU A 48 -8.717 5.611 4.362 1.00 53.01 C ATOM 786 CG GLU A 48 -9.253 7.027 4.218 1.00 34.54 C ATOM 787 CD GLU A 48 -9.080 7.575 2.814 1.00 64.34 C ATOM 788 OE1 GLU A 48 -8.965 6.765 1.872 1.00 23.11 O ATOM 789 OE2 GLU A 48 -9.061 8.813 2.660 1.00 1.21 O ATOM 0 H GLU A 48 -10.519 5.844 6.080 1.00 12.51 H new ATOM 0 HA GLU A 48 -8.212 4.127 5.834 1.00 10.43 H new ATOM 0 HB2 GLU A 48 -7.752 5.544 3.860 1.00 53.01 H new ATOM 0 HB3 GLU A 48 -9.391 4.923 3.851 1.00 53.01 H new ATOM 0 HG2 GLU A 48 -10.311 7.040 4.482 1.00 34.54 H new ATOM 0 HG3 GLU A 48 -8.740 7.679 4.925 1.00 34.54 H new ATOM 796 N SER A 49 -7.910 6.656 7.616 1.00 3.21 N ATOM 797 CA SER A 49 -7.013 7.519 8.374 1.00 30.52 C ATOM 798 C SER A 49 -5.778 6.749 8.834 1.00 64.21 C ATOM 799 O SER A 49 -4.759 7.341 9.189 1.00 51.44 O ATOM 800 CB SER A 49 -7.740 8.109 9.583 1.00 54.23 C ATOM 801 OG SER A 49 -7.198 9.370 9.938 1.00 72.41 O ATOM 0 H SER A 49 -8.850 6.580 8.004 1.00 3.21 H new ATOM 0 HA SER A 49 -6.691 8.330 7.721 1.00 30.52 H new ATOM 0 HB2 SER A 49 -8.801 8.216 9.357 1.00 54.23 H new ATOM 0 HB3 SER A 49 -7.662 7.425 10.428 1.00 54.23 H new ATOM 0 HG SER A 49 -7.681 9.727 10.713 1.00 72.41 H new ATOM 807 N LEU A 50 -5.878 5.424 8.825 1.00 23.13 N ATOM 808 CA LEU A 50 -4.771 4.570 9.240 1.00 74.12 C ATOM 809 C LEU A 50 -4.035 4.004 8.030 1.00 23.01 C ATOM 810 O LEU A 50 -3.501 2.895 8.078 1.00 72.30 O ATOM 811 CB LEU A 50 -5.283 3.429 10.120 1.00 63.34 C ATOM 812 CG LEU A 50 -6.247 3.826 11.240 1.00 33.13 C ATOM 813 CD1 LEU A 50 -6.735 2.593 11.985 1.00 1.11 C ATOM 814 CD2 LEU A 50 -5.577 4.800 12.198 1.00 2.12 C ATOM 0 H LEU A 50 -6.715 4.918 8.535 1.00 23.13 H new ATOM 0 HA LEU A 50 -4.072 5.178 9.814 1.00 74.12 H new ATOM 0 HB2 LEU A 50 -5.780 2.699 9.481 1.00 63.34 H new ATOM 0 HB3 LEU A 50 -4.424 2.928 10.567 1.00 63.34 H new ATOM 0 HG LEU A 50 -7.110 4.321 10.794 1.00 33.13 H new ATOM 0 HD11 LEU A 50 -7.420 2.894 12.778 1.00 1.11 H new ATOM 0 HD12 LEU A 50 -7.252 1.930 11.292 1.00 1.11 H new ATOM 0 HD13 LEU A 50 -5.883 2.070 12.420 1.00 1.11 H new ATOM 0 HD21 LEU A 50 -6.276 5.072 12.988 1.00 2.12 H new ATOM 0 HD22 LEU A 50 -4.697 4.331 12.638 1.00 2.12 H new ATOM 0 HD23 LEU A 50 -5.277 5.696 11.655 1.00 2.12 H new ATOM 826 N LEU A 51 -4.011 4.772 6.946 1.00 61.40 N ATOM 827 CA LEU A 51 -3.340 4.347 5.722 1.00 55.25 C ATOM 828 C LEU A 51 -2.267 5.352 5.314 1.00 54.14 C ATOM 829 O LEU A 51 -1.234 4.979 4.759 1.00 33.20 O ATOM 830 CB LEU A 51 -4.355 4.181 4.591 1.00 25.34 C ATOM 831 CG LEU A 51 -5.223 2.924 4.648 1.00 63.24 C ATOM 832 CD1 LEU A 51 -6.327 2.989 3.603 1.00 50.13 C ATOM 833 CD2 LEU A 51 -4.372 1.679 4.449 1.00 35.55 C ATOM 0 H LEU A 51 -4.448 5.692 6.890 1.00 61.40 H new ATOM 0 HA LEU A 51 -2.860 3.387 5.914 1.00 55.25 H new ATOM 0 HB2 LEU A 51 -5.011 5.051 4.588 1.00 25.34 H new ATOM 0 HB3 LEU A 51 -3.817 4.184 3.643 1.00 25.34 H new ATOM 0 HG LEU A 51 -5.686 2.870 5.633 1.00 63.24 H new ATOM 0 HD11 LEU A 51 -6.934 2.086 3.659 1.00 50.13 H new ATOM 0 HD12 LEU A 51 -6.954 3.860 3.790 1.00 50.13 H new ATOM 0 HD13 LEU A 51 -5.884 3.068 2.610 1.00 50.13 H new ATOM 0 HD21 LEU A 51 -5.006 0.794 4.493 1.00 35.55 H new ATOM 0 HD22 LEU A 51 -3.881 1.726 3.477 1.00 35.55 H new ATOM 0 HD23 LEU A 51 -3.618 1.624 5.234 1.00 35.55 H new ATOM 845 N GLU A 52 -2.518 6.626 5.596 1.00 43.13 N ATOM 846 CA GLU A 52 -1.573 7.683 5.259 1.00 15.33 C ATOM 847 C GLU A 52 -0.777 8.115 6.489 1.00 3.14 C ATOM 848 O GLU A 52 -0.234 9.218 6.533 1.00 34.51 O ATOM 849 CB GLU A 52 -2.308 8.887 4.665 1.00 74.44 C ATOM 850 CG GLU A 52 -3.404 9.433 5.566 1.00 11.54 C ATOM 851 CD GLU A 52 -3.642 10.917 5.358 1.00 63.22 C ATOM 852 OE1 GLU A 52 -2.652 11.670 5.268 1.00 52.34 O ATOM 853 OE2 GLU A 52 -4.821 11.323 5.287 1.00 21.31 O ATOM 0 H GLU A 52 -3.368 6.951 6.057 1.00 43.13 H new ATOM 0 HA GLU A 52 -0.878 7.289 4.517 1.00 15.33 H new ATOM 0 HB2 GLU A 52 -1.587 9.679 4.462 1.00 74.44 H new ATOM 0 HB3 GLU A 52 -2.744 8.600 3.708 1.00 74.44 H new ATOM 0 HG2 GLU A 52 -4.330 8.890 5.376 1.00 11.54 H new ATOM 0 HG3 GLU A 52 -3.137 9.254 6.607 1.00 11.54 H new ATOM 860 N SER A 53 -0.716 7.236 7.485 1.00 1.44 N ATOM 861 CA SER A 53 0.008 7.527 8.716 1.00 64.10 C ATOM 862 C SER A 53 0.563 6.248 9.335 1.00 22.14 C ATOM 863 O SER A 53 -0.182 5.317 9.639 1.00 23.02 O ATOM 864 CB SER A 53 -0.908 8.234 9.717 1.00 2.24 C ATOM 865 OG SER A 53 -1.405 7.327 10.684 1.00 20.34 O ATOM 0 H SER A 53 -1.159 6.318 7.463 1.00 1.44 H new ATOM 0 HA SER A 53 0.842 8.184 8.470 1.00 64.10 H new ATOM 0 HB2 SER A 53 -0.360 9.035 10.213 1.00 2.24 H new ATOM 0 HB3 SER A 53 -1.740 8.698 9.188 1.00 2.24 H new ATOM 0 HG SER A 53 -1.986 7.805 11.312 1.00 20.34 H new ATOM 871 N LYS A 54 1.879 6.209 9.518 1.00 1.41 N ATOM 872 CA LYS A 54 2.536 5.046 10.101 1.00 32.11 C ATOM 873 C LYS A 54 1.962 4.729 11.477 1.00 51.14 C ATOM 874 O LYS A 54 1.663 3.576 11.783 1.00 63.35 O ATOM 875 CB LYS A 54 4.044 5.288 10.209 1.00 13.23 C ATOM 876 CG LYS A 54 4.831 4.053 10.613 1.00 45.03 C ATOM 877 CD LYS A 54 5.784 4.350 11.759 1.00 42.23 C ATOM 878 CE LYS A 54 6.762 5.458 11.398 1.00 33.42 C ATOM 879 NZ LYS A 54 6.573 6.664 12.248 1.00 44.44 N ATOM 0 H LYS A 54 2.511 6.970 9.271 1.00 1.41 H new ATOM 0 HA LYS A 54 2.356 4.193 9.447 1.00 32.11 H new ATOM 0 HB2 LYS A 54 4.415 5.647 9.249 1.00 13.23 H new ATOM 0 HB3 LYS A 54 4.225 6.078 10.937 1.00 13.23 H new ATOM 0 HG2 LYS A 54 4.142 3.261 10.907 1.00 45.03 H new ATOM 0 HG3 LYS A 54 5.394 3.683 9.756 1.00 45.03 H new ATOM 0 HD2 LYS A 54 5.214 4.640 12.642 1.00 42.23 H new ATOM 0 HD3 LYS A 54 6.336 3.446 12.018 1.00 42.23 H new ATOM 0 HE2 LYS A 54 7.783 5.092 11.509 1.00 33.42 H new ATOM 0 HE3 LYS A 54 6.633 5.729 10.350 1.00 33.42 H new ATOM 0 HZ1 LYS A 54 6.871 7.510 11.722 1.00 44.44 H new ATOM 0 HZ2 LYS A 54 5.570 6.753 12.507 1.00 44.44 H new ATOM 0 HZ3 LYS A 54 7.146 6.574 13.111 1.00 44.44 H new ATOM 893 N GLU A 55 1.810 5.761 12.302 1.00 24.21 N ATOM 894 CA GLU A 55 1.270 5.591 13.646 1.00 20.42 C ATOM 895 C GLU A 55 -0.170 5.087 13.595 1.00 32.14 C ATOM 896 O GLU A 55 -0.643 4.430 14.521 1.00 41.35 O ATOM 897 CB GLU A 55 1.332 6.911 14.416 1.00 53.22 C ATOM 898 CG GLU A 55 2.062 6.807 15.745 1.00 40.10 C ATOM 899 CD GLU A 55 1.583 7.832 16.755 1.00 11.24 C ATOM 900 OE1 GLU A 55 0.367 7.872 17.031 1.00 42.00 O ATOM 901 OE2 GLU A 55 2.428 8.596 17.268 1.00 42.34 O ATOM 0 H GLU A 55 2.053 6.722 12.063 1.00 24.21 H new ATOM 0 HA GLU A 55 1.879 4.849 14.162 1.00 20.42 H new ATOM 0 HB2 GLU A 55 1.826 7.660 13.797 1.00 53.22 H new ATOM 0 HB3 GLU A 55 0.317 7.265 14.595 1.00 53.22 H new ATOM 0 HG2 GLU A 55 1.923 5.806 16.154 1.00 40.10 H new ATOM 0 HG3 GLU A 55 3.131 6.938 15.579 1.00 40.10 H new ATOM 908 N GLY A 56 -0.861 5.400 12.502 1.00 61.14 N ATOM 909 CA GLY A 56 -2.239 4.972 12.350 1.00 4.41 C ATOM 910 C GLY A 56 -2.354 3.509 11.971 1.00 63.34 C ATOM 911 O GLY A 56 -3.200 2.788 12.500 1.00 51.14 O ATOM 0 H GLY A 56 -0.491 5.941 11.721 1.00 61.14 H new ATOM 0 HA2 GLY A 56 -2.775 5.145 13.283 1.00 4.41 H new ATOM 0 HA3 GLY A 56 -2.723 5.581 11.586 1.00 4.41 H new ATOM 915 N CYS A 57 -1.502 3.069 11.052 1.00 4.43 N ATOM 916 CA CYS A 57 -1.514 1.682 10.600 1.00 13.54 C ATOM 917 C CYS A 57 -1.336 0.726 11.775 1.00 12.50 C ATOM 918 O CYS A 57 -1.752 -0.431 11.714 1.00 10.41 O ATOM 919 CB CYS A 57 -0.409 1.451 9.568 1.00 34.25 C ATOM 920 SG CYS A 57 -1.011 0.933 7.944 1.00 60.40 S ATOM 0 H CYS A 57 -0.794 3.652 10.605 1.00 4.43 H new ATOM 0 HA CYS A 57 -2.481 1.485 10.137 1.00 13.54 H new ATOM 0 HB2 CYS A 57 0.165 2.371 9.454 1.00 34.25 H new ATOM 0 HB3 CYS A 57 0.276 0.693 9.948 1.00 34.25 H new ATOM 0 HG CYS A 57 -2.101 1.582 7.658 1.00 60.40 H new ATOM 926 N GLN A 58 -0.716 1.218 12.842 1.00 74.24 N ATOM 927 CA GLN A 58 -0.482 0.406 14.031 1.00 34.31 C ATOM 928 C GLN A 58 -1.774 0.203 14.814 1.00 74.40 C ATOM 929 O GLN A 58 -1.878 -0.708 15.637 1.00 53.11 O ATOM 930 CB GLN A 58 0.572 1.064 14.925 1.00 31.52 C ATOM 931 CG GLN A 58 1.723 0.140 15.289 1.00 41.13 C ATOM 932 CD GLN A 58 2.884 0.878 15.926 1.00 4.44 C ATOM 933 OE1 GLN A 58 2.692 1.859 16.646 1.00 4.22 O ATOM 934 NE2 GLN A 58 4.098 0.409 15.664 1.00 75.22 N ATOM 0 H GLN A 58 -0.367 2.174 12.908 1.00 74.24 H new ATOM 0 HA GLN A 58 -0.117 -0.569 13.708 1.00 34.31 H new ATOM 0 HB2 GLN A 58 0.969 1.943 14.418 1.00 31.52 H new ATOM 0 HB3 GLN A 58 0.094 1.413 15.840 1.00 31.52 H new ATOM 0 HG2 GLN A 58 1.365 -0.628 15.975 1.00 41.13 H new ATOM 0 HG3 GLN A 58 2.071 -0.372 14.392 1.00 41.13 H new ATOM 0 HE21 GLN A 58 4.211 -0.407 15.062 1.00 75.22 H new ATOM 0 HE22 GLN A 58 4.918 0.864 16.065 1.00 75.22 H new ATOM 943 N LYS A 59 -2.759 1.055 14.554 1.00 52.51 N ATOM 944 CA LYS A 59 -4.046 0.970 15.233 1.00 75.12 C ATOM 945 C LYS A 59 -4.905 -0.138 14.632 1.00 22.31 C ATOM 946 O LYS A 59 -5.882 -0.578 15.240 1.00 11.41 O ATOM 947 CB LYS A 59 -4.784 2.308 15.143 1.00 73.23 C ATOM 948 CG LYS A 59 -4.122 3.421 15.935 1.00 54.31 C ATOM 949 CD LYS A 59 -5.010 4.652 16.017 1.00 20.34 C ATOM 950 CE LYS A 59 -5.517 4.881 17.432 1.00 44.21 C ATOM 951 NZ LYS A 59 -4.843 6.038 18.082 1.00 53.41 N ATOM 0 H LYS A 59 -2.690 1.814 13.876 1.00 52.51 H new ATOM 0 HA LYS A 59 -3.861 0.735 16.281 1.00 75.12 H new ATOM 0 HB2 LYS A 59 -4.850 2.607 14.097 1.00 73.23 H new ATOM 0 HB3 LYS A 59 -5.805 2.175 15.502 1.00 73.23 H new ATOM 0 HG2 LYS A 59 -3.895 3.068 16.941 1.00 54.31 H new ATOM 0 HG3 LYS A 59 -3.173 3.686 15.468 1.00 54.31 H new ATOM 0 HD2 LYS A 59 -4.452 5.527 15.683 1.00 20.34 H new ATOM 0 HD3 LYS A 59 -5.857 4.537 15.340 1.00 20.34 H new ATOM 0 HE2 LYS A 59 -6.593 5.054 17.409 1.00 44.21 H new ATOM 0 HE3 LYS A 59 -5.351 3.983 18.027 1.00 44.21 H new ATOM 0 HZ1 LYS A 59 -5.216 6.161 19.045 1.00 53.41 H new ATOM 0 HZ2 LYS A 59 -3.819 5.863 18.127 1.00 53.41 H new ATOM 0 HZ3 LYS A 59 -5.022 6.900 17.528 1.00 53.41 H new ATOM 965 N ILE A 60 -4.535 -0.586 13.437 1.00 12.14 N ATOM 966 CA ILE A 60 -5.270 -1.644 12.757 1.00 20.01 C ATOM 967 C ILE A 60 -4.756 -3.021 13.164 1.00 11.30 C ATOM 968 O ILE A 60 -5.538 -3.925 13.460 1.00 1.22 O ATOM 969 CB ILE A 60 -5.172 -1.504 11.226 1.00 51.32 C ATOM 970 CG1 ILE A 60 -5.474 -0.064 10.804 1.00 32.24 C ATOM 971 CG2 ILE A 60 -6.124 -2.473 10.543 1.00 21.12 C ATOM 972 CD1 ILE A 60 -5.321 0.174 9.317 1.00 32.43 C ATOM 0 H ILE A 60 -3.730 -0.232 12.920 1.00 12.14 H new ATOM 0 HA ILE A 60 -6.313 -1.545 13.057 1.00 20.01 H new ATOM 0 HB ILE A 60 -4.155 -1.748 10.918 1.00 51.32 H new ATOM 0 HG12 ILE A 60 -6.492 0.187 11.101 1.00 32.24 H new ATOM 0 HG13 ILE A 60 -4.809 0.611 11.342 1.00 32.24 H new ATOM 0 HG21 ILE A 60 -6.043 -2.362 9.462 1.00 21.12 H new ATOM 0 HG22 ILE A 60 -5.866 -3.494 10.823 1.00 21.12 H new ATOM 0 HG23 ILE A 60 -7.146 -2.259 10.854 1.00 21.12 H new ATOM 0 HD11 ILE A 60 -5.550 1.215 9.090 1.00 32.43 H new ATOM 0 HD12 ILE A 60 -4.296 -0.046 9.017 1.00 32.43 H new ATOM 0 HD13 ILE A 60 -6.006 -0.476 8.772 1.00 32.43 H new ATOM 984 N LEU A 61 -3.436 -3.172 13.178 1.00 63.14 N ATOM 985 CA LEU A 61 -2.816 -4.439 13.552 1.00 4.10 C ATOM 986 C LEU A 61 -3.171 -4.818 14.986 1.00 42.40 C ATOM 987 O LEU A 61 -3.266 -5.998 15.323 1.00 52.43 O ATOM 988 CB LEU A 61 -1.297 -4.351 13.396 1.00 72.21 C ATOM 989 CG LEU A 61 -0.780 -4.122 11.975 1.00 71.54 C ATOM 990 CD1 LEU A 61 0.702 -3.785 11.994 1.00 53.33 C ATOM 991 CD2 LEU A 61 -1.038 -5.347 11.110 1.00 65.54 C ATOM 0 H LEU A 61 -2.775 -2.434 12.935 1.00 63.14 H new ATOM 0 HA LEU A 61 -3.199 -5.213 12.887 1.00 4.10 H new ATOM 0 HB2 LEU A 61 -0.933 -3.541 14.028 1.00 72.21 H new ATOM 0 HB3 LEU A 61 -0.859 -5.274 13.776 1.00 72.21 H new ATOM 0 HG LEU A 61 -1.319 -3.277 11.545 1.00 71.54 H new ATOM 0 HD11 LEU A 61 1.052 -3.625 10.974 1.00 53.33 H new ATOM 0 HD12 LEU A 61 0.862 -2.879 12.578 1.00 53.33 H new ATOM 0 HD13 LEU A 61 1.257 -4.609 12.443 1.00 53.33 H new ATOM 0 HD21 LEU A 61 -0.664 -5.166 10.102 1.00 65.54 H new ATOM 0 HD22 LEU A 61 -0.526 -6.209 11.538 1.00 65.54 H new ATOM 0 HD23 LEU A 61 -2.109 -5.544 11.069 1.00 65.54 H new ATOM 1003 N THR A 62 -3.369 -3.807 15.827 1.00 54.12 N ATOM 1004 CA THR A 62 -3.714 -4.033 17.225 1.00 42.41 C ATOM 1005 C THR A 62 -5.079 -4.697 17.353 1.00 44.33 C ATOM 1006 O THR A 62 -5.342 -5.421 18.315 1.00 2.33 O ATOM 1007 CB THR A 62 -3.719 -2.715 18.022 1.00 44.24 C ATOM 1008 OG1 THR A 62 -3.599 -2.989 19.423 1.00 20.01 O ATOM 1009 CG2 THR A 62 -4.996 -1.931 17.762 1.00 42.44 C ATOM 0 H THR A 62 -3.296 -2.824 15.564 1.00 54.12 H new ATOM 0 HA THR A 62 -2.952 -4.694 17.637 1.00 42.41 H new ATOM 0 HB THR A 62 -2.870 -2.115 17.695 1.00 44.24 H new ATOM 0 HG1 THR A 62 -3.601 -2.146 19.923 1.00 20.01 H new ATOM 0 HG21 THR A 62 -4.977 -1.004 18.335 1.00 42.44 H new ATOM 0 HG22 THR A 62 -5.071 -1.699 16.700 1.00 42.44 H new ATOM 0 HG23 THR A 62 -5.857 -2.527 18.064 1.00 42.44 H new ATOM 1017 N VAL A 63 -5.948 -4.447 16.378 1.00 64.23 N ATOM 1018 CA VAL A 63 -7.288 -5.023 16.382 1.00 52.33 C ATOM 1019 C VAL A 63 -7.338 -6.302 15.553 1.00 62.25 C ATOM 1020 O VAL A 63 -8.021 -7.262 15.915 1.00 53.40 O ATOM 1021 CB VAL A 63 -8.327 -4.028 15.834 1.00 4.53 C ATOM 1022 CG1 VAL A 63 -9.705 -4.672 15.776 1.00 33.13 C ATOM 1023 CG2 VAL A 63 -8.355 -2.765 16.681 1.00 71.14 C ATOM 0 H VAL A 63 -5.748 -3.850 15.576 1.00 64.23 H new ATOM 0 HA VAL A 63 -7.530 -5.256 17.419 1.00 52.33 H new ATOM 0 HB VAL A 63 -8.039 -3.751 14.820 1.00 4.53 H new ATOM 0 HG11 VAL A 63 -10.426 -3.954 15.386 1.00 33.13 H new ATOM 0 HG12 VAL A 63 -9.672 -5.544 15.123 1.00 33.13 H new ATOM 0 HG13 VAL A 63 -10.005 -4.980 16.778 1.00 33.13 H new ATOM 0 HG21 VAL A 63 -9.095 -2.073 16.279 1.00 71.14 H new ATOM 0 HG22 VAL A 63 -8.618 -3.021 17.707 1.00 71.14 H new ATOM 0 HG23 VAL A 63 -7.372 -2.294 16.665 1.00 71.14 H new ATOM 1033 N LEU A 64 -6.611 -6.309 14.442 1.00 31.13 N ATOM 1034 CA LEU A 64 -6.572 -7.471 13.561 1.00 60.40 C ATOM 1035 C LEU A 64 -5.784 -8.612 14.199 1.00 1.13 C ATOM 1036 O LEU A 64 -6.087 -9.785 13.983 1.00 63.11 O ATOM 1037 CB LEU A 64 -5.948 -7.096 12.216 1.00 2.42 C ATOM 1038 CG LEU A 64 -6.736 -6.098 11.367 1.00 2.30 C ATOM 1039 CD1 LEU A 64 -6.079 -5.917 10.008 1.00 33.24 C ATOM 1040 CD2 LEU A 64 -8.179 -6.554 11.207 1.00 71.41 C ATOM 0 H LEU A 64 -6.040 -5.523 14.129 1.00 31.13 H new ATOM 0 HA LEU A 64 -7.596 -7.807 13.398 1.00 60.40 H new ATOM 0 HB2 LEU A 64 -4.956 -6.683 12.401 1.00 2.42 H new ATOM 0 HB3 LEU A 64 -5.810 -8.008 11.635 1.00 2.42 H new ATOM 0 HG LEU A 64 -6.735 -5.136 11.879 1.00 2.30 H new ATOM 0 HD11 LEU A 64 -6.654 -5.203 9.418 1.00 33.24 H new ATOM 0 HD12 LEU A 64 -5.064 -5.543 10.142 1.00 33.24 H new ATOM 0 HD13 LEU A 64 -6.047 -6.875 9.489 1.00 33.24 H new ATOM 0 HD21 LEU A 64 -8.724 -5.831 10.600 1.00 71.41 H new ATOM 0 HD22 LEU A 64 -8.201 -7.528 10.718 1.00 71.41 H new ATOM 0 HD23 LEU A 64 -8.647 -6.630 12.188 1.00 71.41 H new ATOM 1052 N ASP A 65 -4.774 -8.258 14.986 1.00 11.20 N ATOM 1053 CA ASP A 65 -3.944 -9.251 15.658 1.00 63.14 C ATOM 1054 C ASP A 65 -4.806 -10.251 16.424 1.00 25.12 C ATOM 1055 O ASP A 65 -4.794 -11.452 16.154 1.00 5.53 O ATOM 1056 CB ASP A 65 -2.965 -8.567 16.613 1.00 51.32 C ATOM 1057 CG ASP A 65 -2.650 -9.418 17.827 1.00 62.03 C ATOM 1058 OD1 ASP A 65 -2.328 -10.612 17.648 1.00 45.43 O ATOM 1059 OD2 ASP A 65 -2.724 -8.891 18.956 1.00 44.00 O ATOM 0 H ASP A 65 -4.510 -7.291 15.174 1.00 11.20 H new ATOM 0 HA ASP A 65 -3.380 -9.791 14.898 1.00 63.14 H new ATOM 0 HB2 ASP A 65 -2.041 -8.342 16.081 1.00 51.32 H new ATOM 0 HB3 ASP A 65 -3.385 -7.615 16.939 1.00 51.32 H new ATOM 1064 N PRO A 66 -5.571 -9.745 17.403 1.00 32.43 N ATOM 1065 CA PRO A 66 -6.452 -10.576 18.228 1.00 22.44 C ATOM 1066 C PRO A 66 -7.643 -11.116 17.443 1.00 14.15 C ATOM 1067 O PRO A 66 -8.393 -11.958 17.935 1.00 32.34 O ATOM 1068 CB PRO A 66 -6.924 -9.616 19.322 1.00 22.42 C ATOM 1069 CG PRO A 66 -6.813 -8.262 18.712 1.00 23.44 C ATOM 1070 CD PRO A 66 -5.634 -8.324 17.780 1.00 42.42 C ATOM 0 HA PRO A 66 -5.939 -11.459 18.609 1.00 22.44 H new ATOM 0 HB2 PRO A 66 -7.949 -9.832 19.623 1.00 22.42 H new ATOM 0 HB3 PRO A 66 -6.306 -9.699 20.216 1.00 22.42 H new ATOM 0 HG2 PRO A 66 -7.724 -8.001 18.173 1.00 23.44 H new ATOM 0 HG3 PRO A 66 -6.666 -7.500 19.477 1.00 23.44 H new ATOM 0 HD2 PRO A 66 -5.776 -7.683 16.910 1.00 42.42 H new ATOM 0 HD3 PRO A 66 -4.717 -7.997 18.270 1.00 42.42 H new ATOM 1078 N MET A 67 -7.810 -10.625 16.219 1.00 43.24 N ATOM 1079 CA MET A 67 -8.910 -11.059 15.365 1.00 11.41 C ATOM 1080 C MET A 67 -8.501 -12.263 14.523 1.00 21.20 C ATOM 1081 O MET A 67 -9.349 -12.961 13.967 1.00 3.30 O ATOM 1082 CB MET A 67 -9.360 -9.915 14.455 1.00 50.31 C ATOM 1083 CG MET A 67 -10.825 -9.545 14.624 1.00 1.33 C ATOM 1084 SD MET A 67 -11.053 -7.848 15.189 1.00 64.34 S ATOM 1085 CE MET A 67 -12.418 -8.052 16.331 1.00 31.42 C ATOM 0 H MET A 67 -7.198 -9.927 15.797 1.00 43.24 H new ATOM 0 HA MET A 67 -9.741 -11.351 16.006 1.00 11.41 H new ATOM 0 HB2 MET A 67 -8.746 -9.037 14.658 1.00 50.31 H new ATOM 0 HB3 MET A 67 -9.182 -10.196 13.417 1.00 50.31 H new ATOM 0 HG2 MET A 67 -11.342 -9.680 13.674 1.00 1.33 H new ATOM 0 HG3 MET A 67 -11.288 -10.227 15.338 1.00 1.33 H new ATOM 0 HE1 MET A 67 -12.677 -7.086 16.765 1.00 31.42 H new ATOM 0 HE2 MET A 67 -13.280 -8.454 15.799 1.00 31.42 H new ATOM 0 HE3 MET A 67 -12.128 -8.740 17.125 1.00 31.42 H new ATOM 1095 N VAL A 68 -7.196 -12.501 14.432 1.00 12.42 N ATOM 1096 CA VAL A 68 -6.675 -13.620 13.657 1.00 73.53 C ATOM 1097 C VAL A 68 -7.072 -14.952 14.283 1.00 35.32 C ATOM 1098 O VAL A 68 -7.725 -15.790 13.661 1.00 13.35 O ATOM 1099 CB VAL A 68 -5.140 -13.557 13.541 1.00 2.34 C ATOM 1100 CG1 VAL A 68 -4.557 -14.954 13.392 1.00 44.34 C ATOM 1101 CG2 VAL A 68 -4.732 -12.672 12.372 1.00 21.40 C ATOM 0 H VAL A 68 -6.480 -11.933 14.886 1.00 12.42 H new ATOM 0 HA VAL A 68 -7.110 -13.545 12.660 1.00 73.53 H new ATOM 0 HB VAL A 68 -4.741 -13.120 14.456 1.00 2.34 H new ATOM 0 HG11 VAL A 68 -3.472 -14.889 13.312 1.00 44.34 H new ATOM 0 HG12 VAL A 68 -4.821 -15.553 14.263 1.00 44.34 H new ATOM 0 HG13 VAL A 68 -4.960 -15.423 12.494 1.00 44.34 H new ATOM 0 HG21 VAL A 68 -3.645 -12.638 12.304 1.00 21.40 H new ATOM 0 HG22 VAL A 68 -5.141 -13.079 11.447 1.00 21.40 H new ATOM 0 HG23 VAL A 68 -5.118 -11.664 12.527 1.00 21.40 H new ATOM 1111 N PRO A 69 -6.667 -15.157 15.546 1.00 2.34 N ATOM 1112 CA PRO A 69 -6.970 -16.385 16.285 1.00 21.30 C ATOM 1113 C PRO A 69 -8.449 -16.503 16.636 1.00 11.51 C ATOM 1114 O PRO A 69 -8.876 -17.473 17.263 1.00 31.01 O ATOM 1115 CB PRO A 69 -6.128 -16.251 17.556 1.00 61.03 C ATOM 1116 CG PRO A 69 -5.943 -14.784 17.735 1.00 22.14 C ATOM 1117 CD PRO A 69 -5.886 -14.202 16.350 1.00 35.25 C ATOM 0 HA PRO A 69 -6.746 -17.277 15.700 1.00 21.30 H new ATOM 0 HB2 PRO A 69 -6.633 -16.694 18.414 1.00 61.03 H new ATOM 0 HB3 PRO A 69 -5.170 -16.761 17.452 1.00 61.03 H new ATOM 0 HG2 PRO A 69 -6.766 -14.354 18.306 1.00 22.14 H new ATOM 0 HG3 PRO A 69 -5.027 -14.570 18.286 1.00 22.14 H new ATOM 0 HD2 PRO A 69 -6.317 -13.202 16.317 1.00 35.25 H new ATOM 0 HD3 PRO A 69 -4.860 -14.119 15.991 1.00 35.25 H new ATOM 1125 N THR A 70 -9.230 -15.507 16.227 1.00 1.31 N ATOM 1126 CA THR A 70 -10.662 -15.498 16.498 1.00 43.31 C ATOM 1127 C THR A 70 -11.424 -14.759 15.403 1.00 73.12 C ATOM 1128 O THR A 70 -12.291 -13.934 15.686 1.00 52.41 O ATOM 1129 CB THR A 70 -10.972 -14.841 17.856 1.00 53.30 C ATOM 1130 OG1 THR A 70 -10.494 -13.491 17.868 1.00 4.21 O ATOM 1131 CG2 THR A 70 -10.330 -15.621 18.993 1.00 41.34 C ATOM 0 H THR A 70 -8.894 -14.696 15.707 1.00 1.31 H new ATOM 0 HA THR A 70 -10.986 -16.538 16.524 1.00 43.31 H new ATOM 0 HB THR A 70 -12.053 -14.845 17.998 1.00 53.30 H new ATOM 0 HG1 THR A 70 -9.516 -13.491 17.935 1.00 4.21 H new ATOM 0 HG21 THR A 70 -10.563 -15.138 19.942 1.00 41.34 H new ATOM 0 HG22 THR A 70 -10.717 -16.640 19.000 1.00 41.34 H new ATOM 0 HG23 THR A 70 -9.249 -15.645 18.853 1.00 41.34 H new ATOM 1139 N GLY A 71 -11.096 -15.063 14.151 1.00 31.32 N ATOM 1140 CA GLY A 71 -11.760 -14.420 13.033 1.00 0.45 C ATOM 1141 C GLY A 71 -11.761 -15.281 11.786 1.00 12.10 C ATOM 1142 O GLY A 71 -11.325 -16.431 11.818 1.00 21.24 O ATOM 0 H GLY A 71 -10.382 -15.743 13.891 1.00 31.32 H new ATOM 0 HA2 GLY A 71 -12.788 -14.187 13.310 1.00 0.45 H new ATOM 0 HA3 GLY A 71 -11.265 -13.473 12.817 1.00 0.45 H new ATOM 1146 N SER A 72 -12.254 -14.724 10.684 1.00 44.24 N ATOM 1147 CA SER A 72 -12.316 -15.451 9.422 1.00 2.44 C ATOM 1148 C SER A 72 -11.050 -15.224 8.601 1.00 40.34 C ATOM 1149 O SER A 72 -10.160 -14.478 9.009 1.00 33.10 O ATOM 1150 CB SER A 72 -13.543 -15.016 8.618 1.00 2.01 C ATOM 1151 OG SER A 72 -13.221 -13.964 7.725 1.00 71.14 O ATOM 0 H SER A 72 -12.616 -13.771 10.640 1.00 44.24 H new ATOM 0 HA SER A 72 -12.396 -16.514 9.648 1.00 2.44 H new ATOM 0 HB2 SER A 72 -13.935 -15.865 8.058 1.00 2.01 H new ATOM 0 HB3 SER A 72 -14.331 -14.692 9.298 1.00 2.01 H new ATOM 0 HG SER A 72 -14.041 -13.495 7.463 1.00 71.14 H new ATOM 1157 N GLU A 73 -10.978 -15.873 7.444 1.00 0.42 N ATOM 1158 CA GLU A 73 -9.821 -15.742 6.566 1.00 30.24 C ATOM 1159 C GLU A 73 -9.821 -14.389 5.862 1.00 41.45 C ATOM 1160 O GLU A 73 -8.766 -13.837 5.553 1.00 52.10 O ATOM 1161 CB GLU A 73 -9.808 -16.868 5.529 1.00 63.35 C ATOM 1162 CG GLU A 73 -8.544 -17.709 5.560 1.00 21.02 C ATOM 1163 CD GLU A 73 -8.731 -19.019 6.301 1.00 44.40 C ATOM 1164 OE1 GLU A 73 -9.716 -19.730 6.007 1.00 55.24 O ATOM 1165 OE2 GLU A 73 -7.896 -19.333 7.174 1.00 33.54 O ATOM 0 H GLU A 73 -11.706 -16.495 7.093 1.00 0.42 H new ATOM 0 HA GLU A 73 -8.923 -15.813 7.180 1.00 30.24 H new ATOM 0 HB2 GLU A 73 -10.669 -17.515 5.697 1.00 63.35 H new ATOM 0 HB3 GLU A 73 -9.923 -16.436 4.535 1.00 63.35 H new ATOM 0 HG2 GLU A 73 -8.225 -17.916 4.538 1.00 21.02 H new ATOM 0 HG3 GLU A 73 -7.745 -17.139 6.034 1.00 21.02 H new ATOM 1172 N ASN A 74 -11.015 -13.859 5.611 1.00 52.55 N ATOM 1173 CA ASN A 74 -11.155 -12.570 4.943 1.00 32.31 C ATOM 1174 C ASN A 74 -10.405 -11.479 5.702 1.00 31.32 C ATOM 1175 O ASN A 74 -10.040 -10.451 5.132 1.00 54.05 O ATOM 1176 CB ASN A 74 -12.633 -12.195 4.817 1.00 14.04 C ATOM 1177 CG ASN A 74 -13.269 -12.768 3.564 1.00 50.44 C ATOM 1178 OD1 ASN A 74 -12.616 -13.460 2.783 1.00 72.21 O ATOM 1179 ND2 ASN A 74 -14.550 -12.480 3.368 1.00 44.04 N ATOM 0 H ASN A 74 -11.899 -14.303 5.860 1.00 52.55 H new ATOM 0 HA ASN A 74 -10.723 -12.657 3.946 1.00 32.31 H new ATOM 0 HB2 ASN A 74 -13.173 -12.555 5.693 1.00 14.04 H new ATOM 0 HB3 ASN A 74 -12.730 -11.109 4.807 1.00 14.04 H new ATOM 0 HD21 ASN A 74 -15.032 -12.836 2.543 1.00 44.04 H new ATOM 0 HD22 ASN A 74 -15.052 -11.902 4.042 1.00 44.04 H new ATOM 1186 N LEU A 75 -10.178 -11.712 6.990 1.00 71.20 N ATOM 1187 CA LEU A 75 -9.471 -10.750 7.829 1.00 10.43 C ATOM 1188 C LEU A 75 -7.963 -10.974 7.762 1.00 24.22 C ATOM 1189 O LEU A 75 -7.185 -10.021 7.729 1.00 73.12 O ATOM 1190 CB LEU A 75 -9.950 -10.857 9.277 1.00 24.40 C ATOM 1191 CG LEU A 75 -9.194 -10.007 10.298 1.00 73.04 C ATOM 1192 CD1 LEU A 75 -10.167 -9.275 11.209 1.00 42.35 C ATOM 1193 CD2 LEU A 75 -8.245 -10.873 11.115 1.00 43.30 C ATOM 0 H LEU A 75 -10.473 -12.559 7.476 1.00 71.20 H new ATOM 0 HA LEU A 75 -9.688 -9.750 7.454 1.00 10.43 H new ATOM 0 HB2 LEU A 75 -11.003 -10.579 9.312 1.00 24.40 H new ATOM 0 HB3 LEU A 75 -9.885 -11.901 9.584 1.00 24.40 H new ATOM 0 HG LEU A 75 -8.605 -9.265 9.759 1.00 73.04 H new ATOM 0 HD11 LEU A 75 -9.610 -8.675 11.929 1.00 42.35 H new ATOM 0 HD12 LEU A 75 -10.806 -8.624 10.612 1.00 42.35 H new ATOM 0 HD13 LEU A 75 -10.784 -10.000 11.740 1.00 42.35 H new ATOM 0 HD21 LEU A 75 -7.715 -10.251 11.837 1.00 43.30 H new ATOM 0 HD22 LEU A 75 -8.814 -11.638 11.644 1.00 43.30 H new ATOM 0 HD23 LEU A 75 -7.525 -11.351 10.450 1.00 43.30 H new ATOM 1205 N LYS A 76 -7.559 -12.240 7.738 1.00 41.23 N ATOM 1206 CA LYS A 76 -6.146 -12.590 7.671 1.00 54.03 C ATOM 1207 C LYS A 76 -5.470 -11.903 6.489 1.00 50.24 C ATOM 1208 O LYS A 76 -4.331 -11.447 6.592 1.00 42.54 O ATOM 1209 CB LYS A 76 -5.981 -14.107 7.556 1.00 34.43 C ATOM 1210 CG LYS A 76 -6.514 -14.870 8.755 1.00 60.44 C ATOM 1211 CD LYS A 76 -6.057 -16.319 8.743 1.00 70.30 C ATOM 1212 CE LYS A 76 -6.706 -17.118 9.862 1.00 72.32 C ATOM 1213 NZ LYS A 76 -6.502 -18.584 9.688 1.00 45.33 N ATOM 0 H LYS A 76 -8.191 -13.040 7.764 1.00 41.23 H new ATOM 0 HA LYS A 76 -5.668 -12.247 8.589 1.00 54.03 H new ATOM 0 HB2 LYS A 76 -6.494 -14.453 6.659 1.00 34.43 H new ATOM 0 HB3 LYS A 76 -4.924 -14.340 7.428 1.00 34.43 H new ATOM 0 HG2 LYS A 76 -6.176 -14.389 9.673 1.00 60.44 H new ATOM 0 HG3 LYS A 76 -7.603 -14.831 8.757 1.00 60.44 H new ATOM 0 HD2 LYS A 76 -6.303 -16.771 7.782 1.00 70.30 H new ATOM 0 HD3 LYS A 76 -4.973 -16.360 8.847 1.00 70.30 H new ATOM 0 HE2 LYS A 76 -6.291 -16.805 10.820 1.00 72.32 H new ATOM 0 HE3 LYS A 76 -7.774 -16.901 9.891 1.00 72.32 H new ATOM 0 HZ1 LYS A 76 -6.915 -19.090 10.497 1.00 45.33 H new ATOM 0 HZ2 LYS A 76 -6.964 -18.897 8.811 1.00 45.33 H new ATOM 0 HZ3 LYS A 76 -5.484 -18.789 9.635 1.00 45.33 H new ATOM 1227 N SER A 77 -6.179 -11.831 5.367 1.00 51.04 N ATOM 1228 CA SER A 77 -5.646 -11.201 4.165 1.00 61.32 C ATOM 1229 C SER A 77 -5.316 -9.735 4.421 1.00 53.23 C ATOM 1230 O SER A 77 -4.279 -9.233 3.983 1.00 63.41 O ATOM 1231 CB SER A 77 -6.651 -11.316 3.016 1.00 74.43 C ATOM 1232 OG SER A 77 -6.533 -10.221 2.125 1.00 32.43 O ATOM 0 H SER A 77 -7.124 -12.201 5.265 1.00 51.04 H new ATOM 0 HA SER A 77 -4.728 -11.719 3.889 1.00 61.32 H new ATOM 0 HB2 SER A 77 -6.486 -12.248 2.476 1.00 74.43 H new ATOM 0 HB3 SER A 77 -7.664 -11.355 3.417 1.00 74.43 H new ATOM 0 HG SER A 77 -7.196 -9.538 2.356 1.00 32.43 H new ATOM 1238 N LEU A 78 -6.204 -9.050 5.134 1.00 31.01 N ATOM 1239 CA LEU A 78 -6.008 -7.639 5.450 1.00 43.10 C ATOM 1240 C LEU A 78 -4.921 -7.463 6.505 1.00 2.11 C ATOM 1241 O LEU A 78 -4.135 -6.518 6.450 1.00 44.54 O ATOM 1242 CB LEU A 78 -7.318 -7.020 5.942 1.00 34.22 C ATOM 1243 CG LEU A 78 -7.255 -5.545 6.340 1.00 61.32 C ATOM 1244 CD1 LEU A 78 -7.057 -4.669 5.113 1.00 52.21 C ATOM 1245 CD2 LEU A 78 -8.517 -5.141 7.089 1.00 75.50 C ATOM 0 H LEU A 78 -7.067 -9.449 5.504 1.00 31.01 H new ATOM 0 HA LEU A 78 -5.691 -7.129 4.540 1.00 43.10 H new ATOM 0 HB2 LEU A 78 -8.067 -7.133 5.158 1.00 34.22 H new ATOM 0 HB3 LEU A 78 -7.667 -7.593 6.801 1.00 34.22 H new ATOM 0 HG LEU A 78 -6.402 -5.403 7.003 1.00 61.32 H new ATOM 0 HD11 LEU A 78 -7.015 -3.623 5.416 1.00 52.21 H new ATOM 0 HD12 LEU A 78 -6.125 -4.942 4.618 1.00 52.21 H new ATOM 0 HD13 LEU A 78 -7.889 -4.814 4.424 1.00 52.21 H new ATOM 0 HD21 LEU A 78 -8.455 -4.088 7.365 1.00 75.50 H new ATOM 0 HD22 LEU A 78 -9.386 -5.298 6.450 1.00 75.50 H new ATOM 0 HD23 LEU A 78 -8.615 -5.747 7.990 1.00 75.50 H new ATOM 1257 N PHE A 79 -4.881 -8.382 7.464 1.00 61.11 N ATOM 1258 CA PHE A 79 -3.889 -8.330 8.532 1.00 31.12 C ATOM 1259 C PHE A 79 -2.475 -8.319 7.960 1.00 55.13 C ATOM 1260 O PHE A 79 -1.629 -7.533 8.384 1.00 54.31 O ATOM 1261 CB PHE A 79 -4.061 -9.522 9.476 1.00 0.54 C ATOM 1262 CG PHE A 79 -3.187 -9.451 10.695 1.00 65.54 C ATOM 1263 CD1 PHE A 79 -3.077 -8.274 11.417 1.00 61.11 C ATOM 1264 CD2 PHE A 79 -2.477 -10.563 11.120 1.00 41.44 C ATOM 1265 CE1 PHE A 79 -2.275 -8.205 12.541 1.00 24.31 C ATOM 1266 CE2 PHE A 79 -1.674 -10.500 12.243 1.00 40.34 C ATOM 1267 CZ PHE A 79 -1.572 -9.320 12.953 1.00 71.14 C ATOM 0 H PHE A 79 -5.524 -9.172 7.524 1.00 61.11 H new ATOM 0 HA PHE A 79 -4.043 -7.408 9.092 1.00 31.12 H new ATOM 0 HB2 PHE A 79 -5.104 -9.580 9.789 1.00 0.54 H new ATOM 0 HB3 PHE A 79 -3.840 -10.441 8.933 1.00 0.54 H new ATOM 0 HD1 PHE A 79 -3.624 -7.399 11.098 1.00 61.11 H new ATOM 0 HD2 PHE A 79 -2.552 -11.488 10.568 1.00 41.44 H new ATOM 0 HE1 PHE A 79 -2.198 -7.281 13.095 1.00 24.31 H new ATOM 0 HE2 PHE A 79 -1.126 -11.373 12.565 1.00 40.34 H new ATOM 0 HZ PHE A 79 -0.943 -9.269 13.830 1.00 71.14 H new ATOM 1277 N ASN A 80 -2.226 -9.198 6.995 1.00 42.13 N ATOM 1278 CA ASN A 80 -0.914 -9.292 6.365 1.00 14.31 C ATOM 1279 C ASN A 80 -0.634 -8.062 5.507 1.00 41.40 C ATOM 1280 O ASN A 80 0.514 -7.640 5.360 1.00 60.24 O ATOM 1281 CB ASN A 80 -0.825 -10.556 5.509 1.00 11.23 C ATOM 1282 CG ASN A 80 -0.620 -11.806 6.342 1.00 11.11 C ATOM 1283 OD1 ASN A 80 -1.000 -11.855 7.512 1.00 44.34 O ATOM 1284 ND2 ASN A 80 -0.015 -12.824 5.742 1.00 24.12 N ATOM 0 H ASN A 80 -2.916 -9.856 6.632 1.00 42.13 H new ATOM 0 HA ASN A 80 -0.163 -9.342 7.153 1.00 14.31 H new ATOM 0 HB2 ASN A 80 -1.738 -10.659 4.923 1.00 11.23 H new ATOM 0 HB3 ASN A 80 -0.002 -10.455 4.802 1.00 11.23 H new ATOM 0 HD21 ASN A 80 0.152 -13.691 6.253 1.00 24.12 H new ATOM 0 HD22 ASN A 80 0.283 -12.739 4.770 1.00 24.12 H new ATOM 1291 N THR A 81 -1.692 -7.488 4.942 1.00 32.11 N ATOM 1292 CA THR A 81 -1.561 -6.307 4.098 1.00 1.21 C ATOM 1293 C THR A 81 -1.208 -5.076 4.925 1.00 62.51 C ATOM 1294 O THR A 81 -0.404 -4.243 4.506 1.00 44.04 O ATOM 1295 CB THR A 81 -2.857 -6.029 3.313 1.00 65.55 C ATOM 1296 OG1 THR A 81 -3.282 -7.216 2.634 1.00 22.31 O ATOM 1297 CG2 THR A 81 -2.652 -4.908 2.307 1.00 4.01 C ATOM 0 H THR A 81 -2.649 -7.822 5.054 1.00 32.11 H new ATOM 0 HA THR A 81 -0.755 -6.512 3.393 1.00 1.21 H new ATOM 0 HB THR A 81 -3.626 -5.721 4.022 1.00 65.55 H new ATOM 0 HG1 THR A 81 -3.899 -7.718 3.207 1.00 22.31 H new ATOM 0 HG21 THR A 81 -3.581 -4.731 1.765 1.00 4.01 H new ATOM 0 HG22 THR A 81 -2.358 -3.998 2.831 1.00 4.01 H new ATOM 0 HG23 THR A 81 -1.870 -5.190 1.602 1.00 4.01 H new ATOM 1305 N VAL A 82 -1.814 -4.967 6.103 1.00 41.11 N ATOM 1306 CA VAL A 82 -1.562 -3.838 6.991 1.00 61.52 C ATOM 1307 C VAL A 82 -0.095 -3.777 7.400 1.00 4.05 C ATOM 1308 O VAL A 82 0.461 -2.696 7.593 1.00 15.11 O ATOM 1309 CB VAL A 82 -2.434 -3.916 8.259 1.00 4.33 C ATOM 1310 CG1 VAL A 82 -2.177 -2.716 9.158 1.00 23.40 C ATOM 1311 CG2 VAL A 82 -3.906 -4.008 7.887 1.00 61.14 C ATOM 0 H VAL A 82 -2.483 -5.647 6.465 1.00 41.11 H new ATOM 0 HA VAL A 82 -1.819 -2.936 6.436 1.00 61.52 H new ATOM 0 HB VAL A 82 -2.165 -4.817 8.810 1.00 4.33 H new ATOM 0 HG11 VAL A 82 -2.801 -2.788 10.048 1.00 23.40 H new ATOM 0 HG12 VAL A 82 -1.127 -2.699 9.451 1.00 23.40 H new ATOM 0 HG13 VAL A 82 -2.418 -1.800 8.619 1.00 23.40 H new ATOM 0 HG21 VAL A 82 -4.508 -4.062 8.794 1.00 61.14 H new ATOM 0 HG22 VAL A 82 -4.192 -3.126 7.314 1.00 61.14 H new ATOM 0 HG23 VAL A 82 -4.074 -4.902 7.286 1.00 61.14 H new ATOM 1321 N CYS A 83 0.526 -4.944 7.529 1.00 32.32 N ATOM 1322 CA CYS A 83 1.930 -5.024 7.916 1.00 50.40 C ATOM 1323 C CYS A 83 2.823 -4.396 6.851 1.00 14.13 C ATOM 1324 O CYS A 83 3.821 -3.747 7.166 1.00 13.41 O ATOM 1325 CB CYS A 83 2.336 -6.480 8.144 1.00 64.20 C ATOM 1326 SG CYS A 83 1.691 -7.195 9.675 1.00 10.52 S ATOM 0 H CYS A 83 0.080 -5.848 7.371 1.00 32.32 H new ATOM 0 HA CYS A 83 2.057 -4.469 8.846 1.00 50.40 H new ATOM 0 HB2 CYS A 83 1.989 -7.079 7.302 1.00 64.20 H new ATOM 0 HB3 CYS A 83 3.424 -6.545 8.155 1.00 64.20 H new ATOM 0 HG CYS A 83 0.429 -7.470 9.528 1.00 10.52 H new ATOM 1332 N VAL A 84 2.460 -4.595 5.588 1.00 72.34 N ATOM 1333 CA VAL A 84 3.229 -4.049 4.476 1.00 53.10 C ATOM 1334 C VAL A 84 3.065 -2.536 4.384 1.00 64.11 C ATOM 1335 O VAL A 84 4.030 -1.809 4.152 1.00 31.11 O ATOM 1336 CB VAL A 84 2.806 -4.682 3.137 1.00 35.44 C ATOM 1337 CG1 VAL A 84 3.592 -4.073 1.987 1.00 15.25 C ATOM 1338 CG2 VAL A 84 2.992 -6.192 3.180 1.00 45.02 C ATOM 0 H VAL A 84 1.638 -5.131 5.309 1.00 72.34 H new ATOM 0 HA VAL A 84 4.275 -4.287 4.668 1.00 53.10 H new ATOM 0 HB VAL A 84 1.749 -4.473 2.974 1.00 35.44 H new ATOM 0 HG11 VAL A 84 3.280 -4.532 1.049 1.00 15.25 H new ATOM 0 HG12 VAL A 84 3.404 -3.000 1.946 1.00 15.25 H new ATOM 0 HG13 VAL A 84 4.657 -4.249 2.140 1.00 15.25 H new ATOM 0 HG21 VAL A 84 2.688 -6.623 2.226 1.00 45.02 H new ATOM 0 HG22 VAL A 84 4.041 -6.424 3.366 1.00 45.02 H new ATOM 0 HG23 VAL A 84 2.380 -6.611 3.979 1.00 45.02 H new ATOM 1348 N ILE A 85 1.834 -2.069 4.569 1.00 40.41 N ATOM 1349 CA ILE A 85 1.543 -0.642 4.509 1.00 2.23 C ATOM 1350 C ILE A 85 2.299 0.120 5.592 1.00 64.34 C ATOM 1351 O ILE A 85 2.883 1.172 5.334 1.00 34.34 O ATOM 1352 CB ILE A 85 0.035 -0.368 4.662 1.00 15.03 C ATOM 1353 CG1 ILE A 85 -0.748 -1.068 3.549 1.00 13.50 C ATOM 1354 CG2 ILE A 85 -0.235 1.129 4.646 1.00 60.01 C ATOM 1355 CD1 ILE A 85 -0.730 -0.318 2.235 1.00 31.03 C ATOM 0 H ILE A 85 1.024 -2.658 4.761 1.00 40.41 H new ATOM 0 HA ILE A 85 1.870 -0.295 3.529 1.00 2.23 H new ATOM 0 HB ILE A 85 -0.297 -0.767 5.620 1.00 15.03 H new ATOM 0 HG12 ILE A 85 -0.334 -2.064 3.395 1.00 13.50 H new ATOM 0 HG13 ILE A 85 -1.782 -1.199 3.870 1.00 13.50 H new ATOM 0 HG21 ILE A 85 -1.305 1.307 4.755 1.00 60.01 H new ATOM 0 HG22 ILE A 85 0.298 1.604 5.470 1.00 60.01 H new ATOM 0 HG23 ILE A 85 0.108 1.551 3.701 1.00 60.01 H new ATOM 0 HD11 ILE A 85 -1.304 -0.872 1.492 1.00 31.03 H new ATOM 0 HD12 ILE A 85 -1.172 0.669 2.373 1.00 31.03 H new ATOM 0 HD13 ILE A 85 0.299 -0.210 1.892 1.00 31.03 H new ATOM 1367 N TRP A 86 2.284 -0.419 6.806 1.00 30.21 N ATOM 1368 CA TRP A 86 2.970 0.208 7.930 1.00 10.44 C ATOM 1369 C TRP A 86 4.466 0.321 7.660 1.00 11.42 C ATOM 1370 O TRP A 86 5.074 1.364 7.906 1.00 1.03 O ATOM 1371 CB TRP A 86 2.729 -0.590 9.212 1.00 14.12 C ATOM 1372 CG TRP A 86 3.366 0.023 10.422 1.00 32.21 C ATOM 1373 CD1 TRP A 86 2.821 0.964 11.248 1.00 22.21 C ATOM 1374 CD2 TRP A 86 4.669 -0.263 10.941 1.00 53.41 C ATOM 1375 NE1 TRP A 86 3.707 1.281 12.248 1.00 53.43 N ATOM 1376 CE2 TRP A 86 4.849 0.543 12.083 1.00 64.42 C ATOM 1377 CE3 TRP A 86 5.702 -1.120 10.554 1.00 34.25 C ATOM 1378 CZ2 TRP A 86 6.017 0.513 12.839 1.00 53.52 C ATOM 1379 CZ3 TRP A 86 6.863 -1.148 11.304 1.00 64.13 C ATOM 1380 CH2 TRP A 86 7.012 -0.336 12.436 1.00 52.33 C ATOM 0 H TRP A 86 1.804 -1.289 7.037 1.00 30.21 H new ATOM 0 HA TRP A 86 2.566 1.212 8.055 1.00 10.44 H new ATOM 0 HB2 TRP A 86 1.656 -0.678 9.380 1.00 14.12 H new ATOM 0 HB3 TRP A 86 3.115 -1.601 9.080 1.00 14.12 H new ATOM 0 HD1 TRP A 86 1.838 1.395 11.132 1.00 22.21 H new ATOM 0 HE1 TRP A 86 3.541 1.957 12.994 1.00 53.43 H new ATOM 0 HE3 TRP A 86 5.595 -1.750 9.683 1.00 34.25 H new ATOM 0 HZ2 TRP A 86 6.134 1.137 13.712 1.00 53.52 H new ATOM 0 HZ3 TRP A 86 7.668 -1.806 11.013 1.00 64.13 H new ATOM 0 HH2 TRP A 86 7.931 -0.381 13.002 1.00 52.33 H new ATOM 1391 N CYS A 87 5.055 -0.756 7.154 1.00 64.21 N ATOM 1392 CA CYS A 87 6.481 -0.778 6.851 1.00 71.00 C ATOM 1393 C CYS A 87 6.856 0.371 5.921 1.00 35.45 C ATOM 1394 O CYS A 87 7.734 1.175 6.234 1.00 72.11 O ATOM 1395 CB CYS A 87 6.869 -2.114 6.215 1.00 63.45 C ATOM 1396 SG CYS A 87 7.243 -3.419 7.410 1.00 21.21 S ATOM 0 H CYS A 87 4.566 -1.627 6.945 1.00 64.21 H new ATOM 0 HA CYS A 87 7.028 -0.658 7.786 1.00 71.00 H new ATOM 0 HB2 CYS A 87 6.055 -2.448 5.571 1.00 63.45 H new ATOM 0 HB3 CYS A 87 7.739 -1.961 5.576 1.00 63.45 H new ATOM 0 HG CYS A 87 6.575 -4.492 7.104 1.00 21.21 H new ATOM 1402 N ILE A 88 6.188 0.438 4.774 1.00 32.03 N ATOM 1403 CA ILE A 88 6.453 1.487 3.797 1.00 51.13 C ATOM 1404 C ILE A 88 6.549 2.852 4.470 1.00 51.52 C ATOM 1405 O ILE A 88 7.327 3.710 4.050 1.00 33.33 O ATOM 1406 CB ILE A 88 5.359 1.537 2.715 1.00 31.24 C ATOM 1407 CG1 ILE A 88 5.282 0.200 1.974 1.00 53.54 C ATOM 1408 CG2 ILE A 88 5.630 2.674 1.740 1.00 22.42 C ATOM 1409 CD1 ILE A 88 3.998 0.013 1.197 1.00 1.14 C ATOM 0 H ILE A 88 5.460 -0.221 4.499 1.00 32.03 H new ATOM 0 HA ILE A 88 7.407 1.248 3.327 1.00 51.13 H new ATOM 0 HB ILE A 88 4.399 1.719 3.198 1.00 31.24 H new ATOM 0 HG12 ILE A 88 6.126 0.125 1.289 1.00 53.54 H new ATOM 0 HG13 ILE A 88 5.383 -0.612 2.694 1.00 53.54 H new ATOM 0 HG21 ILE A 88 4.848 2.697 0.981 1.00 22.42 H new ATOM 0 HG22 ILE A 88 5.640 3.621 2.279 1.00 22.42 H new ATOM 0 HG23 ILE A 88 6.597 2.520 1.261 1.00 22.42 H new ATOM 0 HD11 ILE A 88 4.013 -0.956 0.697 1.00 1.14 H new ATOM 0 HD12 ILE A 88 3.150 0.056 1.880 1.00 1.14 H new ATOM 0 HD13 ILE A 88 3.905 0.804 0.453 1.00 1.14 H new ATOM 1421 N HIS A 89 5.755 3.047 5.518 1.00 13.30 N ATOM 1422 CA HIS A 89 5.753 4.308 6.252 1.00 4.24 C ATOM 1423 C HIS A 89 6.828 4.309 7.334 1.00 15.34 C ATOM 1424 O HIS A 89 7.428 5.365 7.534 1.00 0.14 O ATOM 1425 CB HIS A 89 4.380 4.554 6.882 1.00 13.35 C ATOM 1426 CG HIS A 89 3.242 4.372 5.925 1.00 45.23 C ATOM 1427 ND1 HIS A 89 3.304 4.749 4.600 1.00 54.33 N ATOM 1428 CD2 HIS A 89 2.007 3.850 6.109 1.00 4.54 C ATOM 1429 CE1 HIS A 89 2.156 4.467 4.010 1.00 13.51 C ATOM 1430 NE2 HIS A 89 1.352 3.920 4.904 1.00 25.43 N ATOM 0 H HIS A 89 5.105 2.348 5.878 1.00 13.30 H new ATOM 0 HA HIS A 89 5.971 5.110 5.547 1.00 4.24 H new ATOM 0 HB2 HIS A 89 4.248 3.874 7.724 1.00 13.35 H new ATOM 0 HB3 HIS A 89 4.349 5.567 7.282 1.00 13.35 H new ATOM 0 HD2 HIS A 89 1.610 3.452 7.032 1.00 4.54 H new ATOM 0 HE1 HIS A 89 1.916 4.652 2.973 1.00 13.51 H new ATOM 0 HE2 HIS A 89 0.399 3.601 4.728 1.00 25.43 H new ATOM 1438 N ALA A 90 7.081 3.194 8.012 1.00 24.05 N ATOM 1439 CA ALA A 90 8.101 3.146 9.051 1.00 62.23 C ATOM 1440 C ALA A 90 9.496 3.029 8.448 1.00 21.02 C ATOM 1441 O ALA A 90 10.483 2.888 9.167 1.00 73.43 O ATOM 1442 CB ALA A 90 7.834 1.985 9.999 1.00 21.34 C ATOM 0 H ALA A 90 6.593 2.312 7.860 1.00 24.05 H new ATOM 0 HA ALA A 90 8.055 4.079 9.613 1.00 62.23 H new ATOM 0 HB1 ALA A 90 8.604 1.961 10.770 1.00 21.34 H new ATOM 0 HB2 ALA A 90 6.857 2.113 10.465 1.00 21.34 H new ATOM 0 HB3 ALA A 90 7.850 1.049 9.441 1.00 21.34 H new ATOM 1448 N GLU A 91 9.568 3.088 7.121 1.00 32.40 N ATOM 1449 CA GLU A 91 10.844 2.986 6.422 1.00 1.44 C ATOM 1450 C GLU A 91 11.416 1.577 6.535 1.00 61.34 C ATOM 1451 O GLU A 91 12.605 1.359 6.304 1.00 71.30 O ATOM 1452 CB GLU A 91 11.841 4.001 6.985 1.00 33.30 C ATOM 1453 CG GLU A 91 12.558 4.808 5.915 1.00 34.12 C ATOM 1454 CD GLU A 91 11.999 6.210 5.770 1.00 52.45 C ATOM 1455 OE1 GLU A 91 10.775 6.381 5.946 1.00 54.34 O ATOM 1456 OE2 GLU A 91 12.786 7.136 5.481 1.00 60.35 O ATOM 0 H GLU A 91 8.760 3.206 6.510 1.00 32.40 H new ATOM 0 HA GLU A 91 10.670 3.204 5.368 1.00 1.44 H new ATOM 0 HB2 GLU A 91 11.314 4.684 7.651 1.00 33.30 H new ATOM 0 HB3 GLU A 91 12.581 3.475 7.588 1.00 33.30 H new ATOM 0 HG2 GLU A 91 13.619 4.867 6.159 1.00 34.12 H new ATOM 0 HG3 GLU A 91 12.479 4.289 4.960 1.00 34.12 H new ATOM 1463 N GLU A 92 10.561 0.624 6.893 1.00 71.44 N ATOM 1464 CA GLU A 92 10.982 -0.765 7.038 1.00 53.43 C ATOM 1465 C GLU A 92 11.052 -1.457 5.681 1.00 51.01 C ATOM 1466 O GLU A 92 10.202 -1.243 4.817 1.00 23.01 O ATOM 1467 CB GLU A 92 10.020 -1.519 7.959 1.00 42.12 C ATOM 1468 CG GLU A 92 10.405 -1.453 9.428 1.00 2.04 C ATOM 1469 CD GLU A 92 11.640 -2.275 9.744 1.00 11.52 C ATOM 1470 OE1 GLU A 92 12.396 -2.598 8.803 1.00 44.22 O ATOM 1471 OE2 GLU A 92 11.851 -2.593 10.933 1.00 24.52 O ATOM 0 H GLU A 92 9.573 0.788 7.088 1.00 71.44 H new ATOM 0 HA GLU A 92 11.978 -0.772 7.481 1.00 53.43 H new ATOM 0 HB2 GLU A 92 9.017 -1.110 7.836 1.00 42.12 H new ATOM 0 HB3 GLU A 92 9.978 -2.563 7.650 1.00 42.12 H new ATOM 0 HG2 GLU A 92 10.583 -0.414 9.707 1.00 2.04 H new ATOM 0 HG3 GLU A 92 9.572 -1.808 10.035 1.00 2.04 H new ATOM 1478 N LYS A 93 12.073 -2.287 5.499 1.00 14.34 N ATOM 1479 CA LYS A 93 12.257 -3.013 4.248 1.00 12.20 C ATOM 1480 C LYS A 93 11.863 -4.478 4.405 1.00 42.42 C ATOM 1481 O LYS A 93 12.342 -5.166 5.306 1.00 70.33 O ATOM 1482 CB LYS A 93 13.712 -2.912 3.784 1.00 60.13 C ATOM 1483 CG LYS A 93 14.176 -1.486 3.542 1.00 2.11 C ATOM 1484 CD LYS A 93 15.417 -1.158 4.356 1.00 11.42 C ATOM 1485 CE LYS A 93 15.919 0.248 4.062 1.00 54.14 C ATOM 1486 NZ LYS A 93 16.178 1.016 5.311 1.00 4.00 N ATOM 0 H LYS A 93 12.787 -2.474 6.203 1.00 14.34 H new ATOM 0 HA LYS A 93 11.610 -2.560 3.497 1.00 12.20 H new ATOM 0 HB2 LYS A 93 14.356 -3.373 4.533 1.00 60.13 H new ATOM 0 HB3 LYS A 93 13.832 -3.485 2.865 1.00 60.13 H new ATOM 0 HG2 LYS A 93 14.388 -1.346 2.482 1.00 2.11 H new ATOM 0 HG3 LYS A 93 13.376 -0.793 3.802 1.00 2.11 H new ATOM 0 HD2 LYS A 93 15.192 -1.251 5.418 1.00 11.42 H new ATOM 0 HD3 LYS A 93 16.202 -1.880 4.132 1.00 11.42 H new ATOM 0 HE2 LYS A 93 16.835 0.191 3.474 1.00 54.14 H new ATOM 0 HE3 LYS A 93 15.183 0.777 3.456 1.00 54.14 H new ATOM 0 HZ1 LYS A 93 16.518 1.968 5.069 1.00 4.00 H new ATOM 0 HZ2 LYS A 93 15.298 1.092 5.860 1.00 4.00 H new ATOM 0 HZ3 LYS A 93 16.898 0.525 5.878 1.00 4.00 H new ATOM 1500 N VAL A 94 10.989 -4.949 3.522 1.00 44.32 N ATOM 1501 CA VAL A 94 10.532 -6.333 3.561 1.00 74.13 C ATOM 1502 C VAL A 94 10.711 -7.010 2.207 1.00 51.35 C ATOM 1503 O VAL A 94 10.570 -6.376 1.161 1.00 32.53 O ATOM 1504 CB VAL A 94 9.052 -6.424 3.978 1.00 23.34 C ATOM 1505 CG1 VAL A 94 8.830 -5.735 5.315 1.00 51.33 C ATOM 1506 CG2 VAL A 94 8.159 -5.823 2.903 1.00 75.32 C ATOM 0 H VAL A 94 10.583 -4.392 2.770 1.00 44.32 H new ATOM 0 HA VAL A 94 11.143 -6.847 4.303 1.00 74.13 H new ATOM 0 HB VAL A 94 8.788 -7.475 4.092 1.00 23.34 H new ATOM 0 HG11 VAL A 94 7.779 -5.810 5.593 1.00 51.33 H new ATOM 0 HG12 VAL A 94 9.442 -6.216 6.078 1.00 51.33 H new ATOM 0 HG13 VAL A 94 9.110 -4.685 5.234 1.00 51.33 H new ATOM 0 HG21 VAL A 94 7.117 -5.895 3.213 1.00 75.32 H new ATOM 0 HG22 VAL A 94 8.422 -4.775 2.755 1.00 75.32 H new ATOM 0 HG23 VAL A 94 8.298 -6.367 1.969 1.00 75.32 H new ATOM 1516 N LYS A 95 11.021 -8.302 2.234 1.00 4.43 N ATOM 1517 CA LYS A 95 11.218 -9.067 1.008 1.00 42.53 C ATOM 1518 C LYS A 95 9.909 -9.701 0.547 1.00 1.22 C ATOM 1519 O LYS A 95 9.575 -9.668 -0.637 1.00 34.23 O ATOM 1520 CB LYS A 95 12.274 -10.152 1.223 1.00 73.35 C ATOM 1521 CG LYS A 95 13.633 -9.606 1.628 1.00 32.13 C ATOM 1522 CD LYS A 95 14.430 -10.627 2.423 1.00 12.11 C ATOM 1523 CE LYS A 95 15.654 -11.100 1.654 1.00 2.33 C ATOM 1524 NZ LYS A 95 16.164 -12.401 2.169 1.00 2.54 N ATOM 0 H LYS A 95 11.141 -8.841 3.091 1.00 4.43 H new ATOM 0 HA LYS A 95 11.563 -8.382 0.233 1.00 42.53 H new ATOM 0 HB2 LYS A 95 11.924 -10.840 1.992 1.00 73.35 H new ATOM 0 HB3 LYS A 95 12.382 -10.729 0.305 1.00 73.35 H new ATOM 0 HG2 LYS A 95 14.192 -9.321 0.737 1.00 32.13 H new ATOM 0 HG3 LYS A 95 13.500 -8.703 2.224 1.00 32.13 H new ATOM 0 HD2 LYS A 95 14.742 -10.189 3.371 1.00 12.11 H new ATOM 0 HD3 LYS A 95 13.795 -11.481 2.660 1.00 12.11 H new ATOM 0 HE2 LYS A 95 15.403 -11.201 0.598 1.00 2.33 H new ATOM 0 HE3 LYS A 95 16.440 -10.348 1.724 1.00 2.33 H new ATOM 0 HZ1 LYS A 95 16.998 -12.689 1.619 1.00 2.54 H new ATOM 0 HZ2 LYS A 95 16.428 -12.299 3.170 1.00 2.54 H new ATOM 0 HZ3 LYS A 95 15.423 -13.125 2.078 1.00 2.54 H new ATOM 1538 N ASP A 96 9.172 -10.277 1.490 1.00 71.31 N ATOM 1539 CA ASP A 96 7.898 -10.916 1.181 1.00 23.43 C ATOM 1540 C ASP A 96 6.841 -10.555 2.221 1.00 14.14 C ATOM 1541 O ASP A 96 7.166 -10.166 3.344 1.00 11.45 O ATOM 1542 CB ASP A 96 8.068 -12.436 1.116 1.00 0.20 C ATOM 1543 CG ASP A 96 8.865 -12.979 2.286 1.00 62.04 C ATOM 1544 OD1 ASP A 96 8.922 -12.299 3.332 1.00 62.13 O ATOM 1545 OD2 ASP A 96 9.429 -14.085 2.156 1.00 35.02 O ATOM 0 H ASP A 96 9.435 -10.315 2.475 1.00 71.31 H new ATOM 0 HA ASP A 96 7.564 -10.553 0.209 1.00 23.43 H new ATOM 0 HB2 ASP A 96 7.086 -12.908 1.099 1.00 0.20 H new ATOM 0 HB3 ASP A 96 8.567 -12.704 0.185 1.00 0.20 H new ATOM 1550 N THR A 97 5.575 -10.685 1.840 1.00 4.54 N ATOM 1551 CA THR A 97 4.470 -10.370 2.737 1.00 54.30 C ATOM 1552 C THR A 97 4.709 -10.950 4.127 1.00 3.43 C ATOM 1553 O THR A 97 4.698 -10.225 5.121 1.00 34.31 O ATOM 1554 CB THR A 97 3.133 -10.904 2.192 1.00 21.03 C ATOM 1555 OG1 THR A 97 2.802 -10.239 0.967 1.00 64.14 O ATOM 1556 CG2 THR A 97 2.016 -10.701 3.203 1.00 44.35 C ATOM 0 H THR A 97 5.289 -11.007 0.915 1.00 4.54 H new ATOM 0 HA THR A 97 4.417 -9.283 2.804 1.00 54.30 H new ATOM 0 HB THR A 97 3.243 -11.972 2.006 1.00 21.03 H new ATOM 0 HG1 THR A 97 2.327 -9.405 1.165 1.00 64.14 H new ATOM 0 HG21 THR A 97 1.082 -11.086 2.795 1.00 44.35 H new ATOM 0 HG22 THR A 97 2.257 -11.233 4.123 1.00 44.35 H new ATOM 0 HG23 THR A 97 1.908 -9.638 3.417 1.00 44.35 H new ATOM 1564 N GLU A 98 4.922 -12.261 4.186 1.00 43.11 N ATOM 1565 CA GLU A 98 5.162 -12.937 5.455 1.00 70.20 C ATOM 1566 C GLU A 98 6.263 -12.236 6.246 1.00 55.11 C ATOM 1567 O GLU A 98 6.075 -11.872 7.405 1.00 44.34 O ATOM 1568 CB GLU A 98 5.544 -14.400 5.215 1.00 44.53 C ATOM 1569 CG GLU A 98 4.355 -15.346 5.209 1.00 43.52 C ATOM 1570 CD GLU A 98 4.582 -16.574 6.068 1.00 32.13 C ATOM 1571 OE1 GLU A 98 4.832 -16.413 7.281 1.00 42.32 O ATOM 1572 OE2 GLU A 98 4.511 -17.697 5.526 1.00 72.22 O ATOM 0 H GLU A 98 4.933 -12.875 3.371 1.00 43.11 H new ATOM 0 HA GLU A 98 4.241 -12.900 6.037 1.00 70.20 H new ATOM 0 HB2 GLU A 98 6.065 -14.479 4.261 1.00 44.53 H new ATOM 0 HB3 GLU A 98 6.245 -14.715 5.988 1.00 44.53 H new ATOM 0 HG2 GLU A 98 3.472 -14.816 5.566 1.00 43.52 H new ATOM 0 HG3 GLU A 98 4.148 -15.657 4.185 1.00 43.52 H new ATOM 1579 N GLY A 99 7.416 -12.052 5.608 1.00 42.12 N ATOM 1580 CA GLY A 99 8.531 -11.396 6.267 1.00 24.14 C ATOM 1581 C GLY A 99 8.144 -10.061 6.872 1.00 20.05 C ATOM 1582 O GLY A 99 8.686 -9.658 7.899 1.00 64.33 O ATOM 0 H GLY A 99 7.597 -12.345 4.648 1.00 42.12 H new ATOM 0 HA2 GLY A 99 8.920 -12.047 7.050 1.00 24.14 H new ATOM 0 HA3 GLY A 99 9.336 -11.246 5.548 1.00 24.14 H new ATOM 1586 N ALA A 100 7.204 -9.373 6.231 1.00 21.44 N ATOM 1587 CA ALA A 100 6.746 -8.077 6.712 1.00 5.34 C ATOM 1588 C ALA A 100 6.068 -8.204 8.072 1.00 11.11 C ATOM 1589 O ALA A 100 6.253 -7.361 8.951 1.00 23.33 O ATOM 1590 CB ALA A 100 5.796 -7.446 5.704 1.00 11.34 C ATOM 0 H ALA A 100 6.746 -9.693 5.378 1.00 21.44 H new ATOM 0 HA ALA A 100 7.617 -7.432 6.828 1.00 5.34 H new ATOM 0 HB1 ALA A 100 5.461 -6.478 6.076 1.00 11.34 H new ATOM 0 HB2 ALA A 100 6.312 -7.311 4.753 1.00 11.34 H new ATOM 0 HB3 ALA A 100 4.934 -8.097 5.560 1.00 11.34 H new ATOM 1596 N LYS A 101 5.281 -9.262 8.239 1.00 55.32 N ATOM 1597 CA LYS A 101 4.576 -9.501 9.492 1.00 62.14 C ATOM 1598 C LYS A 101 5.544 -9.942 10.586 1.00 24.10 C ATOM 1599 O LYS A 101 5.199 -9.946 11.768 1.00 12.14 O ATOM 1600 CB LYS A 101 3.492 -10.564 9.298 1.00 13.44 C ATOM 1601 CG LYS A 101 2.397 -10.516 10.349 1.00 12.41 C ATOM 1602 CD LYS A 101 2.515 -11.671 11.328 1.00 62.32 C ATOM 1603 CE LYS A 101 1.896 -12.944 10.767 1.00 54.54 C ATOM 1604 NZ LYS A 101 0.445 -12.775 10.483 1.00 43.14 N ATOM 0 H LYS A 101 5.116 -9.968 7.521 1.00 55.32 H new ATOM 0 HA LYS A 101 4.108 -8.566 9.800 1.00 62.14 H new ATOM 0 HB2 LYS A 101 3.044 -10.438 8.313 1.00 13.44 H new ATOM 0 HB3 LYS A 101 3.956 -11.550 9.313 1.00 13.44 H new ATOM 0 HG2 LYS A 101 2.452 -9.572 10.890 1.00 12.41 H new ATOM 0 HG3 LYS A 101 1.422 -10.548 9.862 1.00 12.41 H new ATOM 0 HD2 LYS A 101 3.565 -11.847 11.559 1.00 62.32 H new ATOM 0 HD3 LYS A 101 2.022 -11.408 12.264 1.00 62.32 H new ATOM 0 HE2 LYS A 101 2.415 -13.227 9.851 1.00 54.54 H new ATOM 0 HE3 LYS A 101 2.035 -13.759 11.477 1.00 54.54 H new ATOM 0 HZ1 LYS A 101 -0.043 -13.684 10.616 1.00 43.14 H new ATOM 0 HZ2 LYS A 101 0.044 -12.068 11.132 1.00 43.14 H new ATOM 0 HZ3 LYS A 101 0.318 -12.454 9.502 1.00 43.14 H new ATOM 1618 N GLN A 102 6.756 -10.313 10.183 1.00 44.44 N ATOM 1619 CA GLN A 102 7.773 -10.755 11.130 1.00 42.23 C ATOM 1620 C GLN A 102 8.503 -9.563 11.742 1.00 24.14 C ATOM 1621 O GLN A 102 8.788 -9.545 12.939 1.00 22.22 O ATOM 1622 CB GLN A 102 8.773 -11.682 10.439 1.00 74.24 C ATOM 1623 CG GLN A 102 8.999 -12.992 11.177 1.00 10.01 C ATOM 1624 CD GLN A 102 10.305 -13.011 11.946 1.00 72.44 C ATOM 1625 OE1 GLN A 102 10.544 -12.166 12.809 1.00 4.54 O ATOM 1626 NE2 GLN A 102 11.159 -13.981 11.639 1.00 0.40 N ATOM 0 H GLN A 102 7.057 -10.316 9.208 1.00 44.44 H new ATOM 0 HA GLN A 102 7.275 -11.302 11.931 1.00 42.23 H new ATOM 0 HB2 GLN A 102 8.418 -11.899 9.431 1.00 74.24 H new ATOM 0 HB3 GLN A 102 9.726 -11.163 10.337 1.00 74.24 H new ATOM 0 HG2 GLN A 102 8.173 -13.163 11.867 1.00 10.01 H new ATOM 0 HG3 GLN A 102 8.991 -13.814 10.461 1.00 10.01 H new ATOM 0 HE21 GLN A 102 10.921 -14.661 10.917 1.00 0.40 H new ATOM 0 HE22 GLN A 102 12.053 -14.046 12.125 1.00 0.40 H new ATOM 1635 N ILE A 103 8.801 -8.569 10.911 1.00 63.30 N ATOM 1636 CA ILE A 103 9.497 -7.374 11.371 1.00 24.21 C ATOM 1637 C ILE A 103 8.602 -6.529 12.271 1.00 20.13 C ATOM 1638 O ILE A 103 9.066 -5.932 13.242 1.00 72.32 O ATOM 1639 CB ILE A 103 9.977 -6.512 10.188 1.00 22.14 C ATOM 1640 CG1 ILE A 103 11.039 -7.260 9.381 1.00 21.42 C ATOM 1641 CG2 ILE A 103 10.522 -5.183 10.688 1.00 61.12 C ATOM 1642 CD1 ILE A 103 11.423 -6.564 8.094 1.00 43.21 C ATOM 0 H ILE A 103 8.571 -8.568 9.917 1.00 63.30 H new ATOM 0 HA ILE A 103 10.364 -7.712 11.939 1.00 24.21 H new ATOM 0 HB ILE A 103 9.127 -6.311 9.536 1.00 22.14 H new ATOM 0 HG12 ILE A 103 11.930 -7.385 9.996 1.00 21.42 H new ATOM 0 HG13 ILE A 103 10.670 -8.259 9.148 1.00 21.42 H new ATOM 0 HG21 ILE A 103 10.857 -4.585 9.840 1.00 61.12 H new ATOM 0 HG22 ILE A 103 9.738 -4.647 11.223 1.00 61.12 H new ATOM 0 HG23 ILE A 103 11.362 -5.363 11.359 1.00 61.12 H new ATOM 0 HD11 ILE A 103 12.180 -7.151 7.575 1.00 43.21 H new ATOM 0 HD12 ILE A 103 10.543 -6.463 7.459 1.00 43.21 H new ATOM 0 HD13 ILE A 103 11.823 -5.576 8.320 1.00 43.21 H new ATOM 1654 N VAL A 104 7.314 -6.484 11.943 1.00 34.04 N ATOM 1655 CA VAL A 104 6.353 -5.714 12.723 1.00 74.31 C ATOM 1656 C VAL A 104 6.185 -6.300 14.120 1.00 73.12 C ATOM 1657 O VAL A 104 6.344 -5.600 15.121 1.00 33.42 O ATOM 1658 CB VAL A 104 4.979 -5.666 12.030 1.00 43.40 C ATOM 1659 CG1 VAL A 104 3.974 -4.911 12.888 1.00 74.52 C ATOM 1660 CG2 VAL A 104 5.098 -5.032 10.653 1.00 11.44 C ATOM 0 H VAL A 104 6.913 -6.972 11.142 1.00 34.04 H new ATOM 0 HA VAL A 104 6.748 -4.701 12.802 1.00 74.31 H new ATOM 0 HB VAL A 104 4.620 -6.687 11.905 1.00 43.40 H new ATOM 0 HG11 VAL A 104 3.009 -4.887 12.382 1.00 74.52 H new ATOM 0 HG12 VAL A 104 3.867 -5.413 13.850 1.00 74.52 H new ATOM 0 HG13 VAL A 104 4.325 -3.891 13.047 1.00 74.52 H new ATOM 0 HG21 VAL A 104 4.117 -5.007 10.178 1.00 11.44 H new ATOM 0 HG22 VAL A 104 5.480 -4.016 10.752 1.00 11.44 H new ATOM 0 HG23 VAL A 104 5.783 -5.619 10.040 1.00 11.44 H new ATOM 1670 N ARG A 105 5.864 -7.588 14.182 1.00 2.51 N ATOM 1671 CA ARG A 105 5.674 -8.269 15.457 1.00 11.32 C ATOM 1672 C ARG A 105 6.947 -8.216 16.296 1.00 34.30 C ATOM 1673 O ARG A 105 6.909 -8.401 17.513 1.00 3.42 O ATOM 1674 CB ARG A 105 5.261 -9.724 15.226 1.00 43.35 C ATOM 1675 CG ARG A 105 4.769 -10.423 16.483 1.00 5.22 C ATOM 1676 CD ARG A 105 3.263 -10.286 16.644 1.00 14.12 C ATOM 1677 NE ARG A 105 2.628 -11.563 16.960 1.00 34.12 N ATOM 1678 CZ ARG A 105 1.350 -11.683 17.302 1.00 12.12 C ATOM 1679 NH1 ARG A 105 0.574 -10.610 17.370 1.00 52.13 N ATOM 1680 NH2 ARG A 105 0.845 -12.880 17.574 1.00 53.25 N ATOM 0 H ARG A 105 5.730 -8.181 13.363 1.00 2.51 H new ATOM 0 HA ARG A 105 4.880 -7.756 16.000 1.00 11.32 H new ATOM 0 HB2 ARG A 105 4.475 -9.755 14.472 1.00 43.35 H new ATOM 0 HB3 ARG A 105 6.111 -10.275 14.823 1.00 43.35 H new ATOM 0 HG2 ARG A 105 5.037 -11.479 16.442 1.00 5.22 H new ATOM 0 HG3 ARG A 105 5.269 -10.001 17.355 1.00 5.22 H new ATOM 0 HD2 ARG A 105 3.047 -9.568 17.435 1.00 14.12 H new ATOM 0 HD3 ARG A 105 2.835 -9.886 15.725 1.00 14.12 H new ATOM 0 HE ARG A 105 3.197 -12.409 16.916 1.00 34.12 H new ATOM 0 HH11 ARG A 105 0.958 -9.689 17.159 1.00 52.13 H new ATOM 0 HH12 ARG A 105 -0.407 -10.706 17.633 1.00 52.13 H new ATOM 0 HH21 ARG A 105 1.438 -13.708 17.520 1.00 53.25 H new ATOM 0 HH22 ARG A 105 -0.136 -12.972 17.837 1.00 53.25 H new ATOM 1694 N ARG A 106 8.074 -7.966 15.637 1.00 40.53 N ATOM 1695 CA ARG A 106 9.359 -7.891 16.322 1.00 31.13 C ATOM 1696 C ARG A 106 9.462 -6.613 17.149 1.00 3.32 C ATOM 1697 O ARG A 106 10.009 -6.616 18.252 1.00 22.20 O ATOM 1698 CB ARG A 106 10.505 -7.949 15.310 1.00 25.31 C ATOM 1699 CG ARG A 106 11.700 -8.756 15.789 1.00 1.50 C ATOM 1700 CD ARG A 106 12.442 -8.040 16.906 1.00 60.04 C ATOM 1701 NE ARG A 106 12.251 -8.695 18.198 1.00 62.01 N ATOM 1702 CZ ARG A 106 12.682 -8.192 19.349 1.00 53.42 C ATOM 1703 NH1 ARG A 106 13.326 -7.033 19.369 1.00 72.20 N ATOM 1704 NH2 ARG A 106 12.469 -8.848 20.483 1.00 1.54 N ATOM 0 H ARG A 106 8.123 -7.812 14.630 1.00 40.53 H new ATOM 0 HA ARG A 106 9.433 -8.745 16.995 1.00 31.13 H new ATOM 0 HB2 ARG A 106 10.135 -8.380 14.380 1.00 25.31 H new ATOM 0 HB3 ARG A 106 10.830 -6.934 15.084 1.00 25.31 H new ATOM 0 HG2 ARG A 106 11.365 -9.732 16.140 1.00 1.50 H new ATOM 0 HG3 ARG A 106 12.379 -8.934 14.955 1.00 1.50 H new ATOM 0 HD2 ARG A 106 13.506 -8.006 16.671 1.00 60.04 H new ATOM 0 HD3 ARG A 106 12.096 -7.008 16.968 1.00 60.04 H new ATOM 0 HE ARG A 106 11.759 -9.588 18.217 1.00 62.01 H new ATOM 0 HH11 ARG A 106 13.491 -6.526 18.499 1.00 72.20 H new ATOM 0 HH12 ARG A 106 13.656 -6.648 20.254 1.00 72.20 H new ATOM 0 HH21 ARG A 106 11.974 -9.740 20.471 1.00 1.54 H new ATOM 0 HH22 ARG A 106 12.801 -8.461 21.366 1.00 1.54 H new ATOM 1718 N HIS A 107 8.931 -5.520 16.609 1.00 11.35 N ATOM 1719 CA HIS A 107 8.963 -4.234 17.296 1.00 0.55 C ATOM 1720 C HIS A 107 7.920 -4.189 18.409 1.00 42.31 C ATOM 1721 O HIS A 107 8.118 -3.406 19.340 1.00 11.12 O ATOM 1722 CB HIS A 107 8.716 -3.096 16.304 1.00 54.04 C ATOM 1723 CG HIS A 107 9.910 -2.770 15.459 1.00 3.13 C ATOM 1724 ND1 HIS A 107 11.095 -2.299 15.980 1.00 53.10 N ATOM 1725 CD2 HIS A 107 10.095 -2.851 14.121 1.00 1.13 C ATOM 1726 CE1 HIS A 107 11.958 -2.103 14.999 1.00 75.50 C ATOM 1727 NE2 HIS A 107 11.375 -2.431 13.860 1.00 33.54 N ATOM 0 H HIS A 107 8.473 -5.500 15.698 1.00 11.35 H new ATOM 0 HA HIS A 107 9.951 -4.110 17.740 1.00 0.55 H new ATOM 0 HB2 HIS A 107 7.883 -3.365 15.654 1.00 54.04 H new ATOM 0 HB3 HIS A 107 8.415 -2.204 16.854 1.00 54.04 H new ATOM 0 HD2 HIS A 107 9.370 -3.184 13.393 1.00 1.13 H new ATOM 0 HE1 HIS A 107 12.968 -1.737 15.110 1.00 75.50 H new ATOM 0 HE2 HIS A 107 11.806 -2.380 12.937 1.00 33.54 H new ATOM 1735 N LEU A 108 6.852 -4.977 18.343 1.00 14.14 N ATOM 1736 CA LEU A 108 5.830 -4.968 19.383 1.00 25.23 C ATOM 1737 C LEU A 108 6.270 -5.796 20.586 1.00 54.34 C ATOM 1738 O LEU A 108 6.181 -5.345 21.728 1.00 61.31 O ATOM 1739 CB LEU A 108 4.510 -5.512 18.831 1.00 52.33 C ATOM 1740 CG LEU A 108 3.780 -4.613 17.833 1.00 43.53 C ATOM 1741 CD1 LEU A 108 2.627 -5.364 17.182 1.00 55.14 C ATOM 1742 CD2 LEU A 108 3.276 -3.351 18.519 1.00 34.03 C ATOM 0 H LEU A 108 6.672 -5.630 17.580 1.00 14.14 H new ATOM 0 HA LEU A 108 5.685 -3.938 19.708 1.00 25.23 H new ATOM 0 HB2 LEU A 108 4.708 -6.470 18.350 1.00 52.33 H new ATOM 0 HB3 LEU A 108 3.842 -5.708 19.669 1.00 52.33 H new ATOM 0 HG LEU A 108 4.484 -4.322 17.054 1.00 43.53 H new ATOM 0 HD11 LEU A 108 2.119 -4.708 16.475 1.00 55.14 H new ATOM 0 HD12 LEU A 108 3.013 -6.237 16.655 1.00 55.14 H new ATOM 0 HD13 LEU A 108 1.923 -5.685 17.949 1.00 55.14 H new ATOM 0 HD21 LEU A 108 2.759 -2.724 17.793 1.00 34.03 H new ATOM 0 HD22 LEU A 108 2.587 -3.622 19.319 1.00 34.03 H new ATOM 0 HD23 LEU A 108 4.120 -2.802 18.937 1.00 34.03 H new