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= -0.622! USER MOD Set 1.2: A 97 THR OG1 : rot -93:sc= -0.0884 USER MOD Set 2.1: A 80 ASN : amide:sc= 0.372 K(o=1.4,f=-8.3!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ 157:sc= 1.04 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-10!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= -0.301 (180deg=-0.82) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 112:sc= 0.726 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 110:sc= -0.038 USER MOD Single : A 58 GLN : amide:sc= -0.0195 K(o=-0.02,f=-1.4!) 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 154:sc= 0 (180deg=-0.65) USER MOD Single : A 70 THR OG1 : rot -63:sc= 0.689 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 74 ASN : amide:sc= -0.0432 K(o=-0.043,f=-1.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 73:sc= 0.228 USER MOD Single : A 83 CYS SG : rot 77:sc= -1.51 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.508 USER MOD Single : A 89 HIS : no HD1:sc= 0.182 K(o=0.18,f=-4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0654) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.382 K(o=0.38,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 3.231 6.967 -4.155 1.00 32.42 N ATOM 103 CA ARG A 9 4.247 7.977 -4.425 1.00 72.12 C ATOM 104 C ARG A 9 5.227 7.491 -5.489 1.00 33.31 C ATOM 105 O ARG A 9 5.055 6.415 -6.060 1.00 61.13 O ATOM 106 CB ARG A 9 5.003 8.327 -3.143 1.00 55.21 C ATOM 107 CG ARG A 9 5.115 9.823 -2.891 1.00 71.24 C ATOM 108 CD ARG A 9 6.523 10.211 -2.468 1.00 51.33 C ATOM 109 NE ARG A 9 6.629 11.636 -2.164 1.00 1.11 N ATOM 110 CZ ARG A 9 7.783 12.259 -1.954 1.00 61.41 C ATOM 111 NH1 ARG A 9 8.924 11.586 -2.016 1.00 1.40 N ATOM 112 NH2 ARG A 9 7.797 13.557 -1.682 1.00 43.55 N ATOM 0 HA ARG A 9 3.745 8.870 -4.798 1.00 72.12 H new ATOM 0 HB2 ARG A 9 4.500 7.861 -2.296 1.00 55.21 H new ATOM 0 HB3 ARG A 9 6.004 7.900 -3.193 1.00 55.21 H new ATOM 0 HG2 ARG A 9 4.842 10.367 -3.795 1.00 71.24 H new ATOM 0 HG3 ARG A 9 4.407 10.117 -2.116 1.00 71.24 H new ATOM 0 HD2 ARG A 9 6.811 9.631 -1.591 1.00 51.33 H new ATOM 0 HD3 ARG A 9 7.224 9.957 -3.263 1.00 51.33 H new ATOM 0 HE ARG A 9 5.769 12.183 -2.110 1.00 1.11 H new ATOM 0 HH11 ARG A 9 8.917 10.588 -2.225 1.00 1.40 H new ATOM 0 HH12 ARG A 9 9.809 12.067 -1.854 1.00 1.40 H new ATOM 0 HH21 ARG A 9 6.921 14.077 -1.634 1.00 43.55 H new ATOM 0 HH22 ARG A 9 8.684 14.035 -1.521 1.00 43.55 H new ATOM 126 N GLY A 10 6.255 8.292 -5.750 1.00 41.23 N ATOM 127 CA GLY A 10 7.247 7.926 -6.745 1.00 11.04 C ATOM 128 C GLY A 10 8.318 7.011 -6.187 1.00 30.34 C ATOM 129 O GLY A 10 8.396 5.838 -6.553 1.00 44.33 O ATOM 0 H GLY A 10 6.419 9.188 -5.291 1.00 41.23 H new ATOM 0 HA2 GLY A 10 6.753 7.433 -7.582 1.00 11.04 H new ATOM 0 HA3 GLY A 10 7.714 8.829 -7.137 1.00 11.04 H new ATOM 133 N LYS A 11 9.147 7.546 -5.297 1.00 1.00 N ATOM 134 CA LYS A 11 10.219 6.770 -4.686 1.00 63.15 C ATOM 135 C LYS A 11 9.657 5.591 -3.899 1.00 22.15 C ATOM 136 O LYS A 11 10.136 4.463 -4.022 1.00 74.31 O ATOM 137 CB LYS A 11 11.060 7.658 -3.766 1.00 53.41 C ATOM 138 CG LYS A 11 12.164 6.910 -3.041 1.00 4.24 C ATOM 139 CD LYS A 11 13.408 7.768 -2.882 1.00 43.15 C ATOM 140 CE LYS A 11 14.664 7.007 -3.280 1.00 3.15 C ATOM 141 NZ LYS A 11 15.088 7.323 -4.672 1.00 15.13 N ATOM 0 H LYS A 11 9.097 8.515 -4.983 1.00 1.00 H new ATOM 0 HA LYS A 11 10.853 6.382 -5.484 1.00 63.15 H new ATOM 0 HB2 LYS A 11 11.503 8.461 -4.356 1.00 53.41 H new ATOM 0 HB3 LYS A 11 10.406 8.126 -3.030 1.00 53.41 H new ATOM 0 HG2 LYS A 11 11.809 6.597 -2.059 1.00 4.24 H new ATOM 0 HG3 LYS A 11 12.414 6.004 -3.593 1.00 4.24 H new ATOM 0 HD2 LYS A 11 13.314 8.664 -3.496 1.00 43.15 H new ATOM 0 HD3 LYS A 11 13.494 8.098 -1.847 1.00 43.15 H new ATOM 0 HE2 LYS A 11 15.471 7.253 -2.590 1.00 3.15 H new ATOM 0 HE3 LYS A 11 14.483 5.936 -3.190 1.00 3.15 H new ATOM 0 HZ1 LYS A 11 15.947 6.784 -4.904 1.00 15.13 H new ATOM 0 HZ2 LYS A 11 14.328 7.065 -5.333 1.00 15.13 H new ATOM 0 HZ3 LYS A 11 15.286 8.341 -4.752 1.00 15.13 H new ATOM 155 N LYS A 12 8.639 5.859 -3.088 1.00 62.41 N ATOM 156 CA LYS A 12 8.009 4.820 -2.282 1.00 35.22 C ATOM 157 C LYS A 12 7.523 3.669 -3.158 1.00 42.13 C ATOM 158 O LYS A 12 7.684 2.500 -2.808 1.00 50.23 O ATOM 159 CB LYS A 12 6.836 5.401 -1.490 1.00 1.04 C ATOM 160 CG LYS A 12 7.091 5.481 0.005 1.00 5.13 C ATOM 161 CD LYS A 12 8.197 6.472 0.330 1.00 34.32 C ATOM 162 CE LYS A 12 7.967 7.140 1.678 1.00 43.32 C ATOM 163 NZ LYS A 12 9.067 8.083 2.022 1.00 1.15 N ATOM 0 H LYS A 12 8.233 6.787 -2.972 1.00 62.41 H new ATOM 0 HA LYS A 12 8.754 4.434 -1.587 1.00 35.22 H new ATOM 0 HB2 LYS A 12 6.614 6.400 -1.866 1.00 1.04 H new ATOM 0 HB3 LYS A 12 5.951 4.790 -1.667 1.00 1.04 H new ATOM 0 HG2 LYS A 12 6.175 5.777 0.516 1.00 5.13 H new ATOM 0 HG3 LYS A 12 7.362 4.495 0.382 1.00 5.13 H new ATOM 0 HD2 LYS A 12 9.158 5.958 0.337 1.00 34.32 H new ATOM 0 HD3 LYS A 12 8.248 7.232 -0.450 1.00 34.32 H new ATOM 0 HE2 LYS A 12 7.019 7.678 1.660 1.00 43.32 H new ATOM 0 HE3 LYS A 12 7.886 6.377 2.453 1.00 43.32 H new ATOM 0 HZ1 LYS A 12 8.875 8.518 2.947 1.00 1.15 H new ATOM 0 HZ2 LYS A 12 9.968 7.565 2.064 1.00 1.15 H new ATOM 0 HZ3 LYS A 12 9.128 8.825 1.296 1.00 1.15 H new ATOM 177 N ALA A 13 6.931 4.009 -4.298 1.00 25.01 N ATOM 178 CA ALA A 13 6.427 3.004 -5.226 1.00 10.51 C ATOM 179 C ALA A 13 7.511 1.995 -5.585 1.00 72.12 C ATOM 180 O ALA A 13 7.242 0.801 -5.716 1.00 72.53 O ATOM 181 CB ALA A 13 5.886 3.671 -6.482 1.00 35.21 C ATOM 0 H ALA A 13 6.789 4.972 -4.601 1.00 25.01 H new ATOM 0 HA ALA A 13 5.616 2.466 -4.735 1.00 10.51 H new ATOM 0 HB1 ALA A 13 5.513 2.909 -7.167 1.00 35.21 H new ATOM 0 HB2 ALA A 13 5.074 4.347 -6.214 1.00 35.21 H new ATOM 0 HB3 ALA A 13 6.683 4.235 -6.966 1.00 35.21 H new ATOM 187 N ASP A 14 8.737 2.481 -5.744 1.00 2.33 N ATOM 188 CA ASP A 14 9.863 1.620 -6.087 1.00 41.54 C ATOM 189 C ASP A 14 10.025 0.503 -5.063 1.00 22.44 C ATOM 190 O ASP A 14 10.566 -0.559 -5.370 1.00 23.24 O ATOM 191 CB ASP A 14 11.151 2.441 -6.174 1.00 70.24 C ATOM 192 CG ASP A 14 12.195 1.787 -7.059 1.00 40.12 C ATOM 193 OD1 ASP A 14 11.951 0.655 -7.528 1.00 5.20 O ATOM 194 OD2 ASP A 14 13.254 2.409 -7.284 1.00 22.31 O ATOM 0 H ASP A 14 8.977 3.467 -5.641 1.00 2.33 H new ATOM 0 HA ASP A 14 9.662 1.170 -7.059 1.00 41.54 H new ATOM 0 HB2 ASP A 14 10.921 3.433 -6.561 1.00 70.24 H new ATOM 0 HB3 ASP A 14 11.561 2.577 -5.173 1.00 70.24 H new ATOM 199 N GLU A 15 9.554 0.750 -3.845 1.00 41.10 N ATOM 200 CA GLU A 15 9.649 -0.235 -2.775 1.00 21.41 C ATOM 201 C GLU A 15 8.383 -1.084 -2.701 1.00 52.43 C ATOM 202 O GLU A 15 8.447 -2.307 -2.575 1.00 71.11 O ATOM 203 CB GLU A 15 9.889 0.458 -1.431 1.00 41.05 C ATOM 204 CG GLU A 15 11.353 0.509 -1.027 1.00 30.45 C ATOM 205 CD GLU A 15 11.839 -0.799 -0.431 1.00 44.44 C ATOM 206 OE1 GLU A 15 11.061 -1.444 0.301 1.00 12.44 O ATOM 207 OE2 GLU A 15 13.000 -1.177 -0.699 1.00 51.42 O ATOM 0 H GLU A 15 9.103 1.624 -3.575 1.00 41.10 H new ATOM 0 HA GLU A 15 10.493 -0.889 -2.995 1.00 21.41 H new ATOM 0 HB2 GLU A 15 9.499 1.474 -1.481 1.00 41.05 H new ATOM 0 HB3 GLU A 15 9.325 -0.063 -0.657 1.00 41.05 H new ATOM 0 HG2 GLU A 15 11.959 0.754 -1.900 1.00 30.45 H new ATOM 0 HG3 GLU A 15 11.499 1.310 -0.303 1.00 30.45 H new ATOM 214 N LEU A 16 7.231 -0.425 -2.781 1.00 25.10 N ATOM 215 CA LEU A 16 5.949 -1.117 -2.724 1.00 73.20 C ATOM 216 C LEU A 16 5.810 -2.104 -3.879 1.00 63.41 C ATOM 217 O LEU A 16 5.352 -3.231 -3.692 1.00 61.24 O ATOM 218 CB LEU A 16 4.800 -0.108 -2.762 1.00 2.04 C ATOM 219 CG LEU A 16 3.411 -0.659 -2.439 1.00 34.23 C ATOM 220 CD1 LEU A 16 2.845 -1.410 -3.633 1.00 35.20 C ATOM 221 CD2 LEU A 16 3.467 -1.564 -1.216 1.00 2.13 C ATOM 0 H LEU A 16 7.160 0.587 -2.885 1.00 25.10 H new ATOM 0 HA LEU A 16 5.907 -1.673 -1.787 1.00 73.20 H new ATOM 0 HB2 LEU A 16 5.024 0.693 -2.058 1.00 2.04 H new ATOM 0 HB3 LEU A 16 4.769 0.340 -3.755 1.00 2.04 H new ATOM 0 HG LEU A 16 2.751 0.180 -2.216 1.00 34.23 H new ATOM 0 HD11 LEU A 16 1.856 -1.795 -3.385 1.00 35.20 H new ATOM 0 HD12 LEU A 16 2.768 -0.734 -4.485 1.00 35.20 H new ATOM 0 HD13 LEU A 16 3.504 -2.240 -3.887 1.00 35.20 H new ATOM 0 HD21 LEU A 16 2.469 -1.947 -1.001 1.00 2.13 H new ATOM 0 HD22 LEU A 16 4.142 -2.398 -1.411 1.00 2.13 H new ATOM 0 HD23 LEU A 16 3.830 -0.996 -0.359 1.00 2.13 H new ATOM 233 N GLU A 17 6.212 -1.674 -5.070 1.00 52.12 N ATOM 234 CA GLU A 17 6.134 -2.521 -6.254 1.00 42.12 C ATOM 235 C GLU A 17 7.189 -3.622 -6.206 1.00 30.34 C ATOM 236 O GLU A 17 7.140 -4.577 -6.981 1.00 71.12 O ATOM 237 CB GLU A 17 6.315 -1.682 -7.522 1.00 33.41 C ATOM 238 CG GLU A 17 5.011 -1.146 -8.088 1.00 32.14 C ATOM 239 CD GLU A 17 4.594 0.166 -7.451 1.00 41.05 C ATOM 240 OE1 GLU A 17 4.248 0.162 -6.252 1.00 30.52 O ATOM 241 OE2 GLU A 17 4.615 1.198 -8.154 1.00 43.44 O ATOM 0 H GLU A 17 6.595 -0.744 -5.241 1.00 52.12 H new ATOM 0 HA GLU A 17 5.148 -2.986 -6.272 1.00 42.12 H new ATOM 0 HB2 GLU A 17 6.977 -0.845 -7.302 1.00 33.41 H new ATOM 0 HB3 GLU A 17 6.809 -2.288 -8.281 1.00 33.41 H new ATOM 0 HG2 GLU A 17 5.117 -1.006 -9.164 1.00 32.14 H new ATOM 0 HG3 GLU A 17 4.224 -1.885 -7.939 1.00 32.14 H new ATOM 248 N ARG A 18 8.141 -3.481 -5.290 1.00 61.21 N ATOM 249 CA ARG A 18 9.209 -4.463 -5.141 1.00 2.23 C ATOM 250 C ARG A 18 8.746 -5.646 -4.294 1.00 71.04 C ATOM 251 O ARG A 18 8.939 -6.802 -4.669 1.00 61.50 O ATOM 252 CB ARG A 18 10.439 -3.817 -4.502 1.00 3.32 C ATOM 253 CG ARG A 18 11.753 -4.438 -4.946 1.00 22.42 C ATOM 254 CD ARG A 18 12.865 -3.402 -5.014 1.00 74.32 C ATOM 255 NE ARG A 18 13.593 -3.296 -3.753 1.00 72.34 N ATOM 256 CZ ARG A 18 14.459 -2.326 -3.484 1.00 2.35 C ATOM 257 NH1 ARG A 18 14.703 -1.382 -4.383 1.00 75.22 N ATOM 258 NH2 ARG A 18 15.082 -2.297 -2.313 1.00 70.15 N ATOM 0 H ARG A 18 8.195 -2.697 -4.640 1.00 61.21 H new ATOM 0 HA ARG A 18 9.473 -4.829 -6.133 1.00 2.23 H new ATOM 0 HB2 ARG A 18 10.449 -2.755 -4.745 1.00 3.32 H new ATOM 0 HB3 ARG A 18 10.358 -3.895 -3.418 1.00 3.32 H new ATOM 0 HG2 ARG A 18 12.035 -5.230 -4.253 1.00 22.42 H new ATOM 0 HG3 ARG A 18 11.625 -4.901 -5.924 1.00 22.42 H new ATOM 0 HD2 ARG A 18 13.559 -3.667 -5.812 1.00 74.32 H new ATOM 0 HD3 ARG A 18 12.441 -2.431 -5.270 1.00 74.32 H new ATOM 0 HE ARG A 18 13.427 -4.006 -3.040 1.00 72.34 H new ATOM 0 HH11 ARG A 18 14.225 -1.400 -5.284 1.00 75.22 H new ATOM 0 HH12 ARG A 18 15.369 -0.638 -4.174 1.00 75.22 H new ATOM 0 HH21 ARG A 18 14.896 -3.020 -1.618 1.00 70.15 H new ATOM 0 HH22 ARG A 18 15.747 -1.551 -2.107 1.00 70.15 H new ATOM 272 N ILE A 19 8.135 -5.346 -3.153 1.00 62.34 N ATOM 273 CA ILE A 19 7.646 -6.385 -2.255 1.00 54.30 C ATOM 274 C ILE A 19 6.757 -7.379 -2.996 1.00 23.01 C ATOM 275 O ILE A 19 5.839 -6.989 -3.717 1.00 11.20 O ATOM 276 CB ILE A 19 6.853 -5.784 -1.079 1.00 61.10 C ATOM 277 CG1 ILE A 19 7.723 -4.794 -0.302 1.00 65.13 C ATOM 278 CG2 ILE A 19 6.349 -6.887 -0.161 1.00 55.12 C ATOM 279 CD1 ILE A 19 6.938 -3.912 0.644 1.00 42.22 C ATOM 0 H ILE A 19 7.967 -4.394 -2.829 1.00 62.34 H new ATOM 0 HA ILE A 19 8.522 -6.904 -1.866 1.00 54.30 H new ATOM 0 HB ILE A 19 5.992 -5.248 -1.478 1.00 61.10 H new ATOM 0 HG12 ILE A 19 8.470 -5.348 0.266 1.00 65.13 H new ATOM 0 HG13 ILE A 19 8.263 -4.164 -1.009 1.00 65.13 H new ATOM 0 HG21 ILE A 19 5.791 -6.446 0.665 1.00 55.12 H new ATOM 0 HG22 ILE A 19 5.698 -7.558 -0.722 1.00 55.12 H new ATOM 0 HG23 ILE A 19 7.196 -7.448 0.233 1.00 55.12 H new ATOM 0 HD11 ILE A 19 7.619 -3.236 1.161 1.00 42.22 H new ATOM 0 HD12 ILE A 19 6.209 -3.331 0.079 1.00 42.22 H new ATOM 0 HD13 ILE A 19 6.420 -4.533 1.375 1.00 42.22 H new ATOM 291 N ARG A 20 7.038 -8.665 -2.813 1.00 41.11 N ATOM 292 CA ARG A 20 6.265 -9.715 -3.464 1.00 12.13 C ATOM 293 C ARG A 20 5.261 -10.333 -2.493 1.00 43.23 C ATOM 294 O ARG A 20 5.505 -10.395 -1.287 1.00 45.04 O ATOM 295 CB ARG A 20 7.195 -10.799 -4.011 1.00 41.11 C ATOM 296 CG ARG A 20 8.331 -10.254 -4.862 1.00 31.42 C ATOM 297 CD ARG A 20 8.990 -11.353 -5.681 1.00 33.32 C ATOM 298 NE ARG A 20 9.750 -10.816 -6.806 1.00 34.13 N ATOM 299 CZ ARG A 20 10.887 -10.142 -6.669 1.00 53.53 C ATOM 300 NH1 ARG A 20 11.391 -9.924 -5.463 1.00 21.12 N ATOM 301 NH2 ARG A 20 11.520 -9.684 -7.742 1.00 20.55 N ATOM 0 H ARG A 20 7.795 -9.004 -2.220 1.00 41.11 H new ATOM 0 HA ARG A 20 5.716 -9.266 -4.292 1.00 12.13 H new ATOM 0 HB2 ARG A 20 7.615 -11.361 -3.177 1.00 41.11 H new ATOM 0 HB3 ARG A 20 6.611 -11.501 -4.606 1.00 41.11 H new ATOM 0 HG2 ARG A 20 7.949 -9.481 -5.529 1.00 31.42 H new ATOM 0 HG3 ARG A 20 9.074 -9.782 -4.220 1.00 31.42 H new ATOM 0 HD2 ARG A 20 9.653 -11.935 -5.040 1.00 33.32 H new ATOM 0 HD3 ARG A 20 8.226 -12.036 -6.053 1.00 33.32 H new ATOM 0 HE ARG A 20 9.389 -10.966 -7.748 1.00 34.13 H new ATOM 0 HH11 ARG A 20 10.906 -10.274 -4.637 1.00 21.12 H new ATOM 0 HH12 ARG A 20 12.264 -9.406 -5.361 1.00 21.12 H new ATOM 0 HH21 ARG A 20 11.134 -9.849 -8.671 1.00 20.55 H new ATOM 0 HH22 ARG A 20 12.393 -9.167 -7.637 1.00 20.55 H new ATOM 315 N LEU A 21 4.133 -10.788 -3.027 1.00 62.13 N ATOM 316 CA LEU A 21 3.093 -11.401 -2.209 1.00 71.11 C ATOM 317 C LEU A 21 3.578 -12.714 -1.604 1.00 70.45 C ATOM 318 O LEU A 21 3.103 -13.138 -0.550 1.00 43.20 O ATOM 319 CB LEU A 21 1.836 -11.645 -3.046 1.00 22.11 C ATOM 320 CG LEU A 21 1.332 -10.455 -3.863 1.00 63.34 C ATOM 321 CD1 LEU A 21 0.010 -10.791 -4.535 1.00 42.25 C ATOM 322 CD2 LEU A 21 1.187 -9.225 -2.981 1.00 5.24 C ATOM 0 H LEU A 21 3.915 -10.744 -4.023 1.00 62.13 H new ATOM 0 HA LEU A 21 2.854 -10.715 -1.396 1.00 71.11 H new ATOM 0 HB2 LEU A 21 2.033 -12.471 -3.729 1.00 22.11 H new ATOM 0 HB3 LEU A 21 1.036 -11.967 -2.379 1.00 22.11 H new ATOM 0 HG LEU A 21 2.065 -10.235 -4.639 1.00 63.34 H new ATOM 0 HD11 LEU A 21 -0.333 -9.932 -5.112 1.00 42.25 H new ATOM 0 HD12 LEU A 21 0.146 -11.644 -5.200 1.00 42.25 H new ATOM 0 HD13 LEU A 21 -0.732 -11.038 -3.775 1.00 42.25 H new ATOM 0 HD21 LEU A 21 0.827 -8.388 -3.580 1.00 5.24 H new ATOM 0 HD22 LEU A 21 0.475 -9.432 -2.182 1.00 5.24 H new ATOM 0 HD23 LEU A 21 2.155 -8.972 -2.548 1.00 5.24 H new ATOM 334 N ARG A 22 4.529 -13.355 -2.278 1.00 53.24 N ATOM 335 CA ARG A 22 5.079 -14.620 -1.807 1.00 42.21 C ATOM 336 C ARG A 22 6.604 -14.570 -1.773 1.00 12.42 C ATOM 337 O ARG A 22 7.237 -13.740 -2.425 1.00 4.43 O ATOM 338 CB ARG A 22 4.615 -15.769 -2.705 1.00 44.41 C ATOM 339 CG ARG A 22 3.545 -16.642 -2.074 1.00 15.24 C ATOM 340 CD ARG A 22 2.188 -16.415 -2.721 1.00 13.52 C ATOM 341 NE ARG A 22 2.204 -16.724 -4.148 1.00 73.42 N ATOM 342 CZ ARG A 22 2.177 -17.961 -4.632 1.00 74.10 C ATOM 343 NH1 ARG A 22 2.132 -18.998 -3.809 1.00 23.35 N ATOM 344 NH2 ARG A 22 2.193 -18.161 -5.944 1.00 71.22 N ATOM 0 H ARG A 22 4.934 -13.018 -3.152 1.00 53.24 H new ATOM 0 HA ARG A 22 4.715 -14.791 -0.794 1.00 42.21 H new ATOM 0 HB2 ARG A 22 4.232 -15.357 -3.638 1.00 44.41 H new ATOM 0 HB3 ARG A 22 5.474 -16.389 -2.960 1.00 44.41 H new ATOM 0 HG2 ARG A 22 3.825 -17.691 -2.172 1.00 15.24 H new ATOM 0 HG3 ARG A 22 3.481 -16.427 -1.007 1.00 15.24 H new ATOM 0 HD2 ARG A 22 1.441 -17.035 -2.224 1.00 13.52 H new ATOM 0 HD3 ARG A 22 1.887 -15.377 -2.578 1.00 13.52 H new ATOM 0 HE ARG A 22 2.238 -15.948 -4.809 1.00 73.42 H new ATOM 0 HH11 ARG A 22 2.118 -18.848 -2.800 1.00 23.35 H new ATOM 0 HH12 ARG A 22 2.111 -19.946 -4.184 1.00 23.35 H new ATOM 0 HH21 ARG A 22 2.226 -17.365 -6.581 1.00 71.22 H new ATOM 0 HH22 ARG A 22 2.172 -19.111 -6.315 1.00 71.22 H new ATOM 358 N PRO A 23 7.208 -15.479 -0.994 1.00 10.03 N ATOM 359 CA PRO A 23 8.665 -15.560 -0.855 1.00 41.23 C ATOM 360 C PRO A 23 9.342 -16.056 -2.128 1.00 74.34 C ATOM 361 O PRO A 23 10.460 -15.653 -2.446 1.00 50.23 O ATOM 362 CB PRO A 23 8.858 -16.567 0.281 1.00 5.44 C ATOM 363 CG PRO A 23 7.630 -17.407 0.255 1.00 34.04 C ATOM 364 CD PRO A 23 6.516 -16.499 -0.188 1.00 72.24 C ATOM 0 HA PRO A 23 9.110 -14.585 -0.658 1.00 41.23 H new ATOM 0 HB2 PRO A 23 9.753 -17.170 0.128 1.00 5.44 H new ATOM 0 HB3 PRO A 23 8.973 -16.064 1.241 1.00 5.44 H new ATOM 0 HG2 PRO A 23 7.746 -18.246 -0.431 1.00 34.04 H new ATOM 0 HG3 PRO A 23 7.423 -17.827 1.240 1.00 34.04 H new ATOM 0 HD2 PRO A 23 5.769 -17.035 -0.773 1.00 72.24 H new ATOM 0 HD3 PRO A 23 5.997 -16.056 0.662 1.00 72.24 H new ATOM 372 N GLY A 24 8.656 -16.935 -2.854 1.00 44.53 N ATOM 373 CA GLY A 24 9.207 -17.471 -4.084 1.00 3.00 C ATOM 374 C GLY A 24 8.296 -17.245 -5.274 1.00 64.25 C ATOM 375 O GLY A 24 8.319 -18.011 -6.237 1.00 10.12 O ATOM 0 H GLY A 24 7.729 -17.285 -2.611 1.00 44.53 H new ATOM 0 HA2 GLY A 24 10.174 -17.007 -4.278 1.00 3.00 H new ATOM 0 HA3 GLY A 24 9.384 -18.540 -3.964 1.00 3.00 H new ATOM 379 N GLY A 25 7.490 -16.189 -5.209 1.00 60.42 N ATOM 380 CA GLY A 25 6.577 -15.884 -6.295 1.00 71.34 C ATOM 381 C GLY A 25 7.045 -14.711 -7.134 1.00 72.42 C ATOM 382 O GLY A 25 8.114 -14.152 -6.891 1.00 22.42 O ATOM 0 H GLY A 25 7.453 -15.539 -4.423 1.00 60.42 H new ATOM 0 HA2 GLY A 25 6.469 -16.762 -6.932 1.00 71.34 H new ATOM 0 HA3 GLY A 25 5.591 -15.664 -5.886 1.00 71.34 H new ATOM 386 N LYS A 26 6.244 -14.339 -8.126 1.00 13.13 N ATOM 387 CA LYS A 26 6.580 -13.225 -9.004 1.00 43.13 C ATOM 388 C LYS A 26 5.513 -12.136 -8.937 1.00 22.43 C ATOM 389 O LYS A 26 5.520 -11.195 -9.731 1.00 63.32 O ATOM 390 CB LYS A 26 6.734 -13.714 -10.446 1.00 33.02 C ATOM 391 CG LYS A 26 7.826 -12.996 -11.219 1.00 70.14 C ATOM 392 CD LYS A 26 9.025 -13.897 -11.459 1.00 71.41 C ATOM 393 CE LYS A 26 10.303 -13.091 -11.634 1.00 33.42 C ATOM 394 NZ LYS A 26 10.367 -12.436 -12.970 1.00 11.22 N ATOM 0 H LYS A 26 5.357 -14.793 -8.342 1.00 13.13 H new ATOM 0 HA LYS A 26 7.526 -12.802 -8.666 1.00 43.13 H new ATOM 0 HB2 LYS A 26 6.949 -14.782 -10.437 1.00 33.02 H new ATOM 0 HB3 LYS A 26 5.786 -13.584 -10.968 1.00 33.02 H new ATOM 0 HG2 LYS A 26 7.431 -12.653 -12.175 1.00 70.14 H new ATOM 0 HG3 LYS A 26 8.140 -12.110 -10.668 1.00 70.14 H new ATOM 0 HD2 LYS A 26 9.139 -14.584 -10.620 1.00 71.41 H new ATOM 0 HD3 LYS A 26 8.853 -14.505 -12.347 1.00 71.41 H new ATOM 0 HE2 LYS A 26 10.363 -12.332 -10.854 1.00 33.42 H new ATOM 0 HE3 LYS A 26 11.165 -13.746 -11.509 1.00 33.42 H new ATOM 0 HZ1 LYS A 26 11.253 -11.897 -13.050 1.00 11.22 H new ATOM 0 HZ2 LYS A 26 10.335 -13.162 -13.714 1.00 11.22 H new ATOM 0 HZ3 LYS A 26 9.558 -11.792 -13.080 1.00 11.22 H new ATOM 408 N LYS A 27 4.598 -12.270 -7.983 1.00 4.31 N ATOM 409 CA LYS A 27 3.526 -11.298 -7.810 1.00 1.44 C ATOM 410 C LYS A 27 3.944 -10.195 -6.841 1.00 13.34 C ATOM 411 O LYS A 27 4.402 -10.469 -5.731 1.00 72.51 O ATOM 412 CB LYS A 27 2.260 -11.989 -7.297 1.00 42.34 C ATOM 413 CG LYS A 27 1.617 -12.913 -8.317 1.00 5.42 C ATOM 414 CD LYS A 27 0.747 -13.962 -7.646 1.00 74.55 C ATOM 415 CE LYS A 27 -0.265 -14.550 -8.619 1.00 4.02 C ATOM 416 NZ LYS A 27 -1.665 -14.319 -8.169 1.00 51.32 N ATOM 0 H LYS A 27 4.578 -13.043 -7.318 1.00 4.31 H new ATOM 0 HA LYS A 27 3.318 -10.847 -8.780 1.00 1.44 H new ATOM 0 HB2 LYS A 27 2.506 -12.563 -6.403 1.00 42.34 H new ATOM 0 HB3 LYS A 27 1.537 -11.230 -7.000 1.00 42.34 H new ATOM 0 HG2 LYS A 27 1.013 -12.328 -9.011 1.00 5.42 H new ATOM 0 HG3 LYS A 27 2.393 -13.404 -8.905 1.00 5.42 H new ATOM 0 HD2 LYS A 27 1.376 -14.758 -7.248 1.00 74.55 H new ATOM 0 HD3 LYS A 27 0.224 -13.516 -6.800 1.00 74.55 H new ATOM 0 HE2 LYS A 27 -0.122 -14.106 -9.604 1.00 4.02 H new ATOM 0 HE3 LYS A 27 -0.089 -15.621 -8.723 1.00 4.02 H new ATOM 0 HZ1 LYS A 27 -2.324 -14.734 -8.858 1.00 51.32 H new ATOM 0 HZ2 LYS A 27 -1.809 -14.764 -7.240 1.00 51.32 H new ATOM 0 HZ3 LYS A 27 -1.841 -13.297 -8.094 1.00 51.32 H new ATOM 430 N LYS A 28 3.781 -8.947 -7.266 1.00 63.31 N ATOM 431 CA LYS A 28 4.138 -7.802 -6.436 1.00 74.32 C ATOM 432 C LYS A 28 2.894 -7.024 -6.018 1.00 61.33 C ATOM 433 O LYS A 28 1.931 -6.920 -6.779 1.00 22.23 O ATOM 434 CB LYS A 28 5.099 -6.880 -7.189 1.00 63.33 C ATOM 435 CG LYS A 28 6.483 -7.476 -7.387 1.00 5.31 C ATOM 436 CD LYS A 28 7.143 -6.947 -8.649 1.00 0.54 C ATOM 437 CE LYS A 28 7.551 -8.077 -9.581 1.00 3.11 C ATOM 438 NZ LYS A 28 8.319 -7.577 -10.755 1.00 24.43 N ATOM 0 H LYS A 28 3.404 -8.702 -8.181 1.00 63.31 H new ATOM 0 HA LYS A 28 4.631 -8.176 -5.538 1.00 74.32 H new ATOM 0 HB2 LYS A 28 4.672 -6.642 -8.163 1.00 63.33 H new ATOM 0 HB3 LYS A 28 5.191 -5.941 -6.643 1.00 63.33 H new ATOM 0 HG2 LYS A 28 7.107 -7.243 -6.524 1.00 5.31 H new ATOM 0 HG3 LYS A 28 6.408 -8.562 -7.443 1.00 5.31 H new ATOM 0 HD2 LYS A 28 6.456 -6.277 -9.167 1.00 0.54 H new ATOM 0 HD3 LYS A 28 8.021 -6.359 -8.382 1.00 0.54 H new ATOM 0 HE2 LYS A 28 8.155 -8.800 -9.033 1.00 3.11 H new ATOM 0 HE3 LYS A 28 6.661 -8.602 -9.926 1.00 3.11 H new ATOM 0 HZ1 LYS A 28 8.579 -8.377 -11.366 1.00 24.43 H new ATOM 0 HZ2 LYS A 28 7.734 -6.906 -11.293 1.00 24.43 H new ATOM 0 HZ3 LYS A 28 9.182 -7.098 -10.427 1.00 24.43 H new ATOM 452 N TYR A 29 2.922 -6.480 -4.807 1.00 53.13 N ATOM 453 CA TYR A 29 1.797 -5.712 -4.288 1.00 54.41 C ATOM 454 C TYR A 29 1.382 -4.620 -5.271 1.00 5.34 C ATOM 455 O TYR A 29 2.224 -4.017 -5.936 1.00 44.13 O ATOM 456 CB TYR A 29 2.156 -5.089 -2.939 1.00 12.04 C ATOM 457 CG TYR A 29 1.879 -5.996 -1.761 1.00 24.24 C ATOM 458 CD1 TYR A 29 0.600 -6.111 -1.231 1.00 41.02 C ATOM 459 CD2 TYR A 29 2.899 -6.739 -1.177 1.00 10.35 C ATOM 460 CE1 TYR A 29 0.343 -6.938 -0.155 1.00 40.22 C ATOM 461 CE2 TYR A 29 2.651 -7.569 -0.101 1.00 32.23 C ATOM 462 CZ TYR A 29 1.372 -7.666 0.406 1.00 53.11 C ATOM 463 OH TYR A 29 1.122 -8.491 1.478 1.00 35.13 O ATOM 0 H TYR A 29 3.712 -6.557 -4.166 1.00 53.13 H new ATOM 0 HA TYR A 29 0.957 -6.393 -4.154 1.00 54.41 H new ATOM 0 HB2 TYR A 29 3.213 -4.822 -2.941 1.00 12.04 H new ATOM 0 HB3 TYR A 29 1.594 -4.163 -2.814 1.00 12.04 H new ATOM 0 HD1 TYR A 29 -0.208 -5.543 -1.668 1.00 41.02 H new ATOM 0 HD2 TYR A 29 3.902 -6.666 -1.571 1.00 10.35 H new ATOM 0 HE1 TYR A 29 -0.657 -7.014 0.245 1.00 40.22 H new ATOM 0 HE2 TYR A 29 3.455 -8.139 0.341 1.00 32.23 H new ATOM 0 HH TYR A 29 0.202 -8.824 1.427 1.00 35.13 H new ATOM 473 N ARG A 30 0.080 -4.371 -5.354 1.00 73.22 N ATOM 474 CA ARG A 30 -0.447 -3.353 -6.254 1.00 51.44 C ATOM 475 C ARG A 30 -1.755 -2.779 -5.719 1.00 55.40 C ATOM 476 O ARG A 30 -2.318 -3.288 -4.749 1.00 52.24 O ATOM 477 CB ARG A 30 -0.668 -3.941 -7.649 1.00 55.43 C ATOM 478 CG ARG A 30 0.085 -3.205 -8.747 1.00 11.02 C ATOM 479 CD ARG A 30 0.280 -4.083 -9.972 1.00 54.13 C ATOM 480 NE ARG A 30 1.572 -3.852 -10.612 1.00 40.42 N ATOM 481 CZ ARG A 30 1.824 -2.816 -11.406 1.00 34.03 C ATOM 482 NH1 ARG A 30 0.877 -1.923 -11.656 1.00 53.43 N ATOM 483 NH2 ARG A 30 3.025 -2.674 -11.951 1.00 75.43 N ATOM 0 H ARG A 30 -0.630 -4.860 -4.809 1.00 73.22 H new ATOM 0 HA ARG A 30 0.284 -2.547 -6.318 1.00 51.44 H new ATOM 0 HB2 ARG A 30 -0.359 -4.986 -7.646 1.00 55.43 H new ATOM 0 HB3 ARG A 30 -1.734 -3.924 -7.877 1.00 55.43 H new ATOM 0 HG2 ARG A 30 -0.464 -2.305 -9.026 1.00 11.02 H new ATOM 0 HG3 ARG A 30 1.056 -2.882 -8.371 1.00 11.02 H new ATOM 0 HD2 ARG A 30 0.201 -5.131 -9.683 1.00 54.13 H new ATOM 0 HD3 ARG A 30 -0.519 -3.889 -10.688 1.00 54.13 H new ATOM 0 HE ARG A 30 2.322 -4.522 -10.441 1.00 40.42 H new ATOM 0 HH11 ARG A 30 -0.048 -2.030 -11.239 1.00 53.43 H new ATOM 0 HH12 ARG A 30 1.073 -1.129 -12.266 1.00 53.43 H new ATOM 0 HH21 ARG A 30 3.756 -3.360 -11.761 1.00 75.43 H new ATOM 0 HH22 ARG A 30 3.218 -1.879 -12.560 1.00 75.43 H new ATOM 497 N LEU A 31 -2.235 -1.716 -6.357 1.00 63.00 N ATOM 498 CA LEU A 31 -3.477 -1.072 -5.945 1.00 52.33 C ATOM 499 C LEU A 31 -4.582 -2.102 -5.737 1.00 61.41 C ATOM 500 O LEU A 31 -5.429 -1.950 -4.857 1.00 33.35 O ATOM 501 CB LEU A 31 -3.913 -0.045 -6.993 1.00 3.54 C ATOM 502 CG LEU A 31 -4.021 1.401 -6.508 1.00 51.15 C ATOM 503 CD1 LEU A 31 -2.643 1.969 -6.208 1.00 54.04 C ATOM 504 CD2 LEU A 31 -4.738 2.257 -7.543 1.00 52.30 C ATOM 0 H LEU A 31 -1.782 -1.282 -7.162 1.00 63.00 H new ATOM 0 HA LEU A 31 -3.297 -0.563 -4.998 1.00 52.33 H new ATOM 0 HB2 LEU A 31 -3.206 -0.078 -7.822 1.00 3.54 H new ATOM 0 HB3 LEU A 31 -4.882 -0.348 -7.389 1.00 3.54 H new ATOM 0 HG LEU A 31 -4.604 1.412 -5.587 1.00 51.15 H new ATOM 0 HD11 LEU A 31 -2.741 2.999 -5.864 1.00 54.04 H new ATOM 0 HD12 LEU A 31 -2.164 1.371 -5.432 1.00 54.04 H new ATOM 0 HD13 LEU A 31 -2.035 1.945 -7.112 1.00 54.04 H new ATOM 0 HD21 LEU A 31 -4.806 3.283 -7.182 1.00 52.30 H new ATOM 0 HD22 LEU A 31 -4.181 2.238 -8.480 1.00 52.30 H new ATOM 0 HD23 LEU A 31 -5.741 1.863 -7.709 1.00 52.30 H new ATOM 516 N LYS A 32 -4.565 -3.153 -6.551 1.00 22.24 N ATOM 517 CA LYS A 32 -5.563 -4.212 -6.454 1.00 0.50 C ATOM 518 C LYS A 32 -5.680 -4.719 -5.021 1.00 11.12 C ATOM 519 O LYS A 32 -6.776 -5.018 -4.544 1.00 54.23 O ATOM 520 CB LYS A 32 -5.200 -5.368 -7.388 1.00 33.32 C ATOM 521 CG LYS A 32 -6.143 -5.514 -8.570 1.00 64.22 C ATOM 522 CD LYS A 32 -5.666 -4.706 -9.765 1.00 14.20 C ATOM 523 CE LYS A 32 -5.452 -5.588 -10.985 1.00 64.23 C ATOM 524 NZ LYS A 32 -5.716 -4.855 -12.254 1.00 14.34 N ATOM 0 H LYS A 32 -3.871 -3.294 -7.285 1.00 22.24 H new ATOM 0 HA LYS A 32 -6.526 -3.799 -6.754 1.00 0.50 H new ATOM 0 HB2 LYS A 32 -4.186 -5.219 -7.759 1.00 33.32 H new ATOM 0 HB3 LYS A 32 -5.198 -6.297 -6.818 1.00 33.32 H new ATOM 0 HG2 LYS A 32 -6.220 -6.565 -8.848 1.00 64.22 H new ATOM 0 HG3 LYS A 32 -7.142 -5.186 -8.283 1.00 64.22 H new ATOM 0 HD2 LYS A 32 -6.398 -3.932 -9.998 1.00 14.20 H new ATOM 0 HD3 LYS A 32 -4.735 -4.198 -9.514 1.00 14.20 H new ATOM 0 HE2 LYS A 32 -4.428 -5.961 -10.988 1.00 64.23 H new ATOM 0 HE3 LYS A 32 -6.108 -6.457 -10.924 1.00 64.23 H new ATOM 0 HZ1 LYS A 32 -5.559 -5.491 -13.062 1.00 14.34 H new ATOM 0 HZ2 LYS A 32 -6.701 -4.520 -12.263 1.00 14.34 H new ATOM 0 HZ3 LYS A 32 -5.073 -4.041 -12.325 1.00 14.34 H new ATOM 538 N HIS A 33 -4.545 -4.814 -4.335 1.00 52.41 N ATOM 539 CA HIS A 33 -4.521 -5.283 -2.954 1.00 53.31 C ATOM 540 C HIS A 33 -4.931 -4.168 -1.995 1.00 64.33 C ATOM 541 O HIS A 33 -5.519 -4.498 -0.966 1.00 15.14 O ATOM 542 CB HIS A 33 -3.127 -5.796 -2.592 1.00 30.21 C ATOM 543 CG HIS A 33 -2.604 -6.830 -3.541 1.00 2.40 C ATOM 544 ND1 HIS A 33 -1.538 -6.603 -4.387 1.00 32.51 N ATOM 545 CD2 HIS A 33 -3.004 -8.100 -3.775 1.00 71.54 C ATOM 546 CE1 HIS A 33 -1.308 -7.691 -5.101 1.00 25.31 C ATOM 547 NE2 HIS A 33 -2.184 -8.615 -4.748 1.00 41.34 N ATOM 0 H HIS A 33 -3.629 -4.572 -4.714 1.00 52.41 H new ATOM 0 HA HIS A 33 -5.236 -6.100 -2.861 1.00 53.31 H new ATOM 0 HB2 HIS A 33 -2.435 -4.955 -2.567 1.00 30.21 H new ATOM 0 HB3 HIS A 33 -3.154 -6.217 -1.587 1.00 30.21 H new ATOM 0 HD2 HIS A 33 -3.818 -8.614 -3.287 1.00 71.54 H new ATOM 0 HE1 HIS A 33 -0.535 -7.805 -5.847 1.00 25.31 H new ATOM 0 HE2 HIS A 33 -2.242 -9.557 -5.135 1.00 41.34 H new ATOM 555 N ILE A 34 -4.646 -2.906 -2.295 1.00 32.30 N ATOM 556 CA ILE A 34 -5.018 -1.809 -1.411 1.00 11.32 C ATOM 557 C ILE A 34 -6.526 -1.583 -1.420 1.00 2.43 C ATOM 558 O ILE A 34 -7.134 -1.331 -0.379 1.00 62.13 O ATOM 559 CB ILE A 34 -4.312 -0.500 -1.809 1.00 41.22 C ATOM 560 CG1 ILE A 34 -2.817 -0.744 -2.018 1.00 63.10 C ATOM 561 CG2 ILE A 34 -4.536 0.568 -0.749 1.00 35.25 C ATOM 562 CD1 ILE A 34 -2.062 0.482 -2.483 1.00 71.24 C ATOM 0 H ILE A 34 -4.159 -2.618 -3.143 1.00 32.30 H new ATOM 0 HA ILE A 34 -4.701 -2.092 -0.407 1.00 11.32 H new ATOM 0 HB ILE A 34 -4.739 -0.147 -2.748 1.00 41.22 H new ATOM 0 HG12 ILE A 34 -2.381 -1.096 -1.083 1.00 63.10 H new ATOM 0 HG13 ILE A 34 -2.686 -1.540 -2.751 1.00 63.10 H new ATOM 0 HG21 ILE A 34 -4.030 1.487 -1.046 1.00 35.25 H new ATOM 0 HG22 ILE A 34 -5.604 0.759 -0.645 1.00 35.25 H new ATOM 0 HG23 ILE A 34 -4.134 0.224 0.204 1.00 35.25 H new ATOM 0 HD11 ILE A 34 -1.008 0.234 -2.610 1.00 71.24 H new ATOM 0 HD12 ILE A 34 -2.472 0.823 -3.434 1.00 71.24 H new ATOM 0 HD13 ILE A 34 -2.161 1.274 -1.741 1.00 71.24 H new ATOM 574 N VAL A 35 -7.127 -1.677 -2.602 1.00 24.42 N ATOM 575 CA VAL A 35 -8.564 -1.487 -2.747 1.00 54.41 C ATOM 576 C VAL A 35 -9.340 -2.487 -1.897 1.00 3.54 C ATOM 577 O VAL A 35 -10.350 -2.143 -1.283 1.00 1.43 O ATOM 578 CB VAL A 35 -9.004 -1.629 -4.216 1.00 52.23 C ATOM 579 CG1 VAL A 35 -10.519 -1.552 -4.331 1.00 13.44 C ATOM 580 CG2 VAL A 35 -8.341 -0.563 -5.076 1.00 20.41 C ATOM 0 H VAL A 35 -6.639 -1.884 -3.474 1.00 24.42 H new ATOM 0 HA VAL A 35 -8.785 -0.476 -2.405 1.00 54.41 H new ATOM 0 HB VAL A 35 -8.686 -2.606 -4.579 1.00 52.23 H new ATOM 0 HG11 VAL A 35 -10.810 -1.654 -5.376 1.00 13.44 H new ATOM 0 HG12 VAL A 35 -10.969 -2.356 -3.748 1.00 13.44 H new ATOM 0 HG13 VAL A 35 -10.864 -0.591 -3.951 1.00 13.44 H new ATOM 0 HG21 VAL A 35 -8.663 -0.678 -6.111 1.00 20.41 H new ATOM 0 HG22 VAL A 35 -8.626 0.425 -4.715 1.00 20.41 H new ATOM 0 HG23 VAL A 35 -7.258 -0.671 -5.019 1.00 20.41 H new ATOM 590 N TRP A 36 -8.860 -3.725 -1.865 1.00 1.31 N ATOM 591 CA TRP A 36 -9.509 -4.775 -1.089 1.00 72.22 C ATOM 592 C TRP A 36 -9.304 -4.554 0.406 1.00 61.12 C ATOM 593 O TRP A 36 -10.115 -4.986 1.223 1.00 21.11 O ATOM 594 CB TRP A 36 -8.964 -6.147 -1.493 1.00 41.54 C ATOM 595 CG TRP A 36 -9.506 -7.270 -0.662 1.00 42.10 C ATOM 596 CD1 TRP A 36 -10.637 -7.996 -0.902 1.00 64.33 C ATOM 597 CD2 TRP A 36 -8.940 -7.793 0.545 1.00 43.40 C ATOM 598 NE1 TRP A 36 -10.808 -8.940 0.082 1.00 53.41 N ATOM 599 CE2 TRP A 36 -9.781 -8.836 0.981 1.00 4.42 C ATOM 600 CE3 TRP A 36 -7.805 -7.483 1.298 1.00 4.21 C ATOM 601 CZ2 TRP A 36 -9.519 -9.567 2.137 1.00 71.52 C ATOM 602 CZ3 TRP A 36 -7.547 -8.210 2.445 1.00 31.30 C ATOM 603 CH2 TRP A 36 -8.401 -9.242 2.854 1.00 32.25 C ATOM 0 H TRP A 36 -8.025 -4.026 -2.367 1.00 1.31 H new ATOM 0 HA TRP A 36 -10.578 -4.739 -1.299 1.00 72.22 H new ATOM 0 HB2 TRP A 36 -9.204 -6.331 -2.540 1.00 41.54 H new ATOM 0 HB3 TRP A 36 -7.877 -6.136 -1.412 1.00 41.54 H new ATOM 0 HD1 TRP A 36 -11.300 -7.850 -1.742 1.00 64.33 H new ATOM 0 HE1 TRP A 36 -11.576 -9.610 0.134 1.00 53.41 H new ATOM 0 HE3 TRP A 36 -7.141 -6.689 0.989 1.00 4.21 H new ATOM 0 HZ2 TRP A 36 -10.176 -10.363 2.456 1.00 71.52 H new ATOM 0 HZ3 TRP A 36 -6.673 -7.978 3.035 1.00 31.30 H new ATOM 0 HH2 TRP A 36 -8.172 -9.793 3.754 1.00 32.25 H new ATOM 614 N ALA A 37 -8.214 -3.878 0.755 1.00 74.13 N ATOM 615 CA ALA A 37 -7.904 -3.598 2.151 1.00 12.14 C ATOM 616 C ALA A 37 -8.774 -2.467 2.690 1.00 12.11 C ATOM 617 O ALA A 37 -9.442 -2.619 3.712 1.00 13.14 O ATOM 618 CB ALA A 37 -6.431 -3.252 2.306 1.00 20.40 C ATOM 0 H ALA A 37 -7.531 -3.514 0.090 1.00 74.13 H new ATOM 0 HA ALA A 37 -8.118 -4.495 2.732 1.00 12.14 H new ATOM 0 HB1 ALA A 37 -6.214 -3.045 3.354 1.00 20.40 H new ATOM 0 HB2 ALA A 37 -5.823 -4.091 1.968 1.00 20.40 H new ATOM 0 HB3 ALA A 37 -6.199 -2.371 1.707 1.00 20.40 H new ATOM 624 N ALA A 38 -8.759 -1.334 1.997 1.00 14.33 N ATOM 625 CA ALA A 38 -9.549 -0.178 2.406 1.00 41.23 C ATOM 626 C ALA A 38 -11.008 -0.560 2.628 1.00 74.33 C ATOM 627 O ALA A 38 -11.671 -0.025 3.514 1.00 55.33 O ATOM 628 CB ALA A 38 -9.442 0.927 1.366 1.00 11.52 C ATOM 0 H ALA A 38 -8.209 -1.191 1.150 1.00 14.33 H new ATOM 0 HA ALA A 38 -9.150 0.188 3.352 1.00 41.23 H new ATOM 0 HB1 ALA A 38 -10.036 1.784 1.683 1.00 11.52 H new ATOM 0 HB2 ALA A 38 -8.400 1.227 1.260 1.00 11.52 H new ATOM 0 HB3 ALA A 38 -9.814 0.562 0.408 1.00 11.52 H new ATOM 634 N ASN A 39 -11.502 -1.489 1.816 1.00 61.34 N ATOM 635 CA ASN A 39 -12.884 -1.943 1.923 1.00 43.24 C ATOM 636 C ASN A 39 -13.170 -2.491 3.317 1.00 65.13 C ATOM 637 O ASN A 39 -14.295 -2.410 3.810 1.00 53.43 O ATOM 638 CB ASN A 39 -13.174 -3.015 0.871 1.00 70.24 C ATOM 639 CG ASN A 39 -14.615 -3.485 0.907 1.00 73.43 C ATOM 640 OD1 ASN A 39 -14.946 -4.454 1.590 1.00 54.32 O ATOM 641 ND2 ASN A 39 -15.480 -2.800 0.168 1.00 12.23 N ATOM 0 H ASN A 39 -10.966 -1.942 1.076 1.00 61.34 H new ATOM 0 HA ASN A 39 -13.536 -1.087 1.748 1.00 43.24 H new ATOM 0 HB2 ASN A 39 -12.948 -2.619 -0.119 1.00 70.24 H new ATOM 0 HB3 ASN A 39 -12.513 -3.866 1.032 1.00 70.24 H new ATOM 0 HD21 ASN A 39 -16.463 -3.071 0.151 1.00 12.23 H new ATOM 0 HD22 ASN A 39 -15.161 -2.003 -0.383 1.00 12.23 H new ATOM 648 N LYS A 40 -12.143 -3.051 3.948 1.00 14.52 N ATOM 649 CA LYS A 40 -12.282 -3.612 5.286 1.00 24.05 C ATOM 650 C LYS A 40 -12.354 -2.507 6.335 1.00 21.34 C ATOM 651 O LYS A 40 -13.193 -2.546 7.238 1.00 44.25 O ATOM 652 CB LYS A 40 -11.109 -4.546 5.595 1.00 74.23 C ATOM 653 CG LYS A 40 -11.189 -5.880 4.873 1.00 62.24 C ATOM 654 CD LYS A 40 -12.124 -6.844 5.584 1.00 15.13 C ATOM 655 CE LYS A 40 -12.249 -8.159 4.829 1.00 13.21 C ATOM 656 NZ LYS A 40 -12.603 -9.286 5.735 1.00 3.02 N ATOM 0 H LYS A 40 -11.205 -3.128 3.554 1.00 14.52 H new ATOM 0 HA LYS A 40 -13.211 -4.181 5.318 1.00 24.05 H new ATOM 0 HB2 LYS A 40 -10.178 -4.049 5.322 1.00 74.23 H new ATOM 0 HB3 LYS A 40 -11.071 -4.725 6.669 1.00 74.23 H new ATOM 0 HG2 LYS A 40 -11.536 -5.722 3.852 1.00 62.24 H new ATOM 0 HG3 LYS A 40 -10.194 -6.319 4.807 1.00 62.24 H new ATOM 0 HD2 LYS A 40 -11.754 -7.035 6.591 1.00 15.13 H new ATOM 0 HD3 LYS A 40 -13.108 -6.388 5.688 1.00 15.13 H new ATOM 0 HE2 LYS A 40 -13.010 -8.062 4.055 1.00 13.21 H new ATOM 0 HE3 LYS A 40 -11.308 -8.380 4.325 1.00 13.21 H new ATOM 0 HZ1 LYS A 40 -11.996 -10.104 5.525 1.00 3.02 H new ATOM 0 HZ2 LYS A 40 -12.462 -8.994 6.723 1.00 3.02 H new ATOM 0 HZ3 LYS A 40 -13.599 -9.548 5.590 1.00 3.02 H new ATOM 670 N LEU A 41 -11.471 -1.522 6.211 1.00 13.25 N ATOM 671 CA LEU A 41 -11.436 -0.404 7.148 1.00 3.11 C ATOM 672 C LEU A 41 -12.802 0.267 7.248 1.00 32.21 C ATOM 673 O LEU A 41 -13.138 0.866 8.270 1.00 72.11 O ATOM 674 CB LEU A 41 -10.383 0.617 6.714 1.00 10.51 C ATOM 675 CG LEU A 41 -8.927 0.162 6.807 1.00 71.04 C ATOM 676 CD1 LEU A 41 -8.056 0.958 5.846 1.00 73.33 C ATOM 677 CD2 LEU A 41 -8.414 0.299 8.232 1.00 33.03 C ATOM 0 H LEU A 41 -10.770 -1.475 5.471 1.00 13.25 H new ATOM 0 HA LEU A 41 -11.172 -0.794 8.131 1.00 3.11 H new ATOM 0 HB2 LEU A 41 -10.588 0.904 5.682 1.00 10.51 H new ATOM 0 HB3 LEU A 41 -10.502 1.513 7.323 1.00 10.51 H new ATOM 0 HG LEU A 41 -8.877 -0.890 6.524 1.00 71.04 H new ATOM 0 HD11 LEU A 41 -7.023 0.620 5.926 1.00 73.33 H new ATOM 0 HD12 LEU A 41 -8.409 0.808 4.826 1.00 73.33 H new ATOM 0 HD13 LEU A 41 -8.112 2.017 6.097 1.00 73.33 H new ATOM 0 HD21 LEU A 41 -7.376 -0.030 8.278 1.00 33.03 H new ATOM 0 HD22 LEU A 41 -8.479 1.342 8.543 1.00 33.03 H new ATOM 0 HD23 LEU A 41 -9.019 -0.317 8.897 1.00 33.03 H new ATOM 689 N ASP A 42 -13.586 0.161 6.181 1.00 53.04 N ATOM 690 CA ASP A 42 -14.918 0.754 6.148 1.00 42.31 C ATOM 691 C ASP A 42 -15.897 -0.060 6.987 1.00 21.13 C ATOM 692 O ASP A 42 -16.590 0.480 7.849 1.00 34.04 O ATOM 693 CB ASP A 42 -15.421 0.852 4.707 1.00 51.42 C ATOM 694 CG ASP A 42 -15.699 2.283 4.287 1.00 22.20 C ATOM 695 OD1 ASP A 42 -14.728 3.038 4.073 1.00 34.22 O ATOM 696 OD2 ASP A 42 -16.888 2.646 4.172 1.00 71.32 O ATOM 0 H ASP A 42 -13.322 -0.330 5.327 1.00 53.04 H new ATOM 0 HA ASP A 42 -14.852 1.757 6.571 1.00 42.31 H new ATOM 0 HB2 ASP A 42 -14.680 0.417 4.036 1.00 51.42 H new ATOM 0 HB3 ASP A 42 -16.332 0.262 4.602 1.00 51.42 H new ATOM 701 N ARG A 43 -15.947 -1.363 6.729 1.00 34.25 N ATOM 702 CA ARG A 43 -16.843 -2.252 7.459 1.00 54.21 C ATOM 703 C ARG A 43 -16.682 -2.070 8.965 1.00 25.43 C ATOM 704 O ARG A 43 -17.600 -2.345 9.737 1.00 32.12 O ATOM 705 CB ARG A 43 -16.572 -3.709 7.078 1.00 31.14 C ATOM 706 CG ARG A 43 -17.580 -4.688 7.658 1.00 55.10 C ATOM 707 CD ARG A 43 -17.033 -6.107 7.674 1.00 15.41 C ATOM 708 NE ARG A 43 -18.066 -7.087 7.997 1.00 61.42 N ATOM 709 CZ ARG A 43 -18.477 -7.341 9.234 1.00 63.32 C ATOM 710 NH1 ARG A 43 -17.946 -6.690 10.260 1.00 33.41 N ATOM 711 NH2 ARG A 43 -19.421 -8.249 9.447 1.00 15.43 N ATOM 0 H ARG A 43 -15.378 -1.826 6.020 1.00 34.25 H new ATOM 0 HA ARG A 43 -17.867 -1.997 7.188 1.00 54.21 H new ATOM 0 HB2 ARG A 43 -16.575 -3.798 5.992 1.00 31.14 H new ATOM 0 HB3 ARG A 43 -15.574 -3.985 7.417 1.00 31.14 H new ATOM 0 HG2 ARG A 43 -17.840 -4.386 8.672 1.00 55.10 H new ATOM 0 HG3 ARG A 43 -18.498 -4.657 7.071 1.00 55.10 H new ATOM 0 HD2 ARG A 43 -16.603 -6.341 6.700 1.00 15.41 H new ATOM 0 HD3 ARG A 43 -16.226 -6.177 8.404 1.00 15.41 H new ATOM 0 HE ARG A 43 -18.496 -7.605 7.230 1.00 61.42 H new ATOM 0 HH11 ARG A 43 -17.220 -5.992 10.100 1.00 33.41 H new ATOM 0 HH12 ARG A 43 -18.264 -6.887 11.209 1.00 33.41 H new ATOM 0 HH21 ARG A 43 -19.831 -8.752 8.660 1.00 15.43 H new ATOM 0 HH22 ARG A 43 -19.736 -8.444 10.397 1.00 15.43 H new ATOM 725 N PHE A 44 -15.506 -1.606 9.377 1.00 34.13 N ATOM 726 CA PHE A 44 -15.222 -1.388 10.791 1.00 35.00 C ATOM 727 C PHE A 44 -15.436 0.074 11.170 1.00 52.01 C ATOM 728 O PHE A 44 -16.022 0.379 12.208 1.00 72.43 O ATOM 729 CB PHE A 44 -13.787 -1.807 11.116 1.00 53.30 C ATOM 730 CG PHE A 44 -13.559 -3.288 11.022 1.00 21.42 C ATOM 731 CD1 PHE A 44 -14.240 -4.162 11.854 1.00 44.02 C ATOM 732 CD2 PHE A 44 -12.663 -3.808 10.101 1.00 2.40 C ATOM 733 CE1 PHE A 44 -14.031 -5.525 11.770 1.00 71.42 C ATOM 734 CE2 PHE A 44 -12.450 -5.171 10.012 1.00 43.52 C ATOM 735 CZ PHE A 44 -13.136 -6.030 10.847 1.00 63.51 C ATOM 0 H PHE A 44 -14.735 -1.374 8.751 1.00 34.13 H new ATOM 0 HA PHE A 44 -15.912 -2.000 11.373 1.00 35.00 H new ATOM 0 HB2 PHE A 44 -13.105 -1.299 10.434 1.00 53.30 H new ATOM 0 HB3 PHE A 44 -13.539 -1.472 12.123 1.00 53.30 H new ATOM 0 HD1 PHE A 44 -14.942 -3.773 12.577 1.00 44.02 H new ATOM 0 HD2 PHE A 44 -12.125 -3.140 9.445 1.00 2.40 H new ATOM 0 HE1 PHE A 44 -14.567 -6.195 12.426 1.00 71.42 H new ATOM 0 HE2 PHE A 44 -11.748 -5.563 9.291 1.00 43.52 H new ATOM 0 HZ PHE A 44 -12.973 -7.095 10.779 1.00 63.51 H new ATOM 745 N GLY A 45 -14.955 0.976 10.320 1.00 61.42 N ATOM 746 CA GLY A 45 -15.103 2.396 10.582 1.00 2.24 C ATOM 747 C GLY A 45 -13.835 3.173 10.290 1.00 41.23 C ATOM 748 O GLY A 45 -13.884 4.263 9.716 1.00 22.04 O ATOM 0 H GLY A 45 -14.465 0.749 9.455 1.00 61.42 H new ATOM 0 HA2 GLY A 45 -15.917 2.792 9.974 1.00 2.24 H new ATOM 0 HA3 GLY A 45 -15.384 2.543 11.625 1.00 2.24 H new ATOM 752 N LEU A 46 -12.696 2.616 10.684 1.00 62.14 N ATOM 753 CA LEU A 46 -11.408 3.266 10.462 1.00 35.22 C ATOM 754 C LEU A 46 -11.340 3.877 9.066 1.00 34.41 C ATOM 755 O LEU A 46 -11.806 3.282 8.094 1.00 15.34 O ATOM 756 CB LEU A 46 -10.270 2.261 10.647 1.00 21.03 C ATOM 757 CG LEU A 46 -9.548 2.306 11.995 1.00 63.00 C ATOM 758 CD1 LEU A 46 -9.594 0.944 12.671 1.00 43.32 C ATOM 759 CD2 LEU A 46 -8.109 2.766 11.814 1.00 23.40 C ATOM 0 H LEU A 46 -12.637 1.715 11.159 1.00 62.14 H new ATOM 0 HA LEU A 46 -11.301 4.066 11.194 1.00 35.22 H new ATOM 0 HB2 LEU A 46 -10.671 1.258 10.506 1.00 21.03 H new ATOM 0 HB3 LEU A 46 -9.536 2.425 9.858 1.00 21.03 H new ATOM 0 HG LEU A 46 -10.060 3.024 12.636 1.00 63.00 H new ATOM 0 HD11 LEU A 46 -9.075 0.995 13.628 1.00 43.32 H new ATOM 0 HD12 LEU A 46 -10.632 0.654 12.835 1.00 43.32 H new ATOM 0 HD13 LEU A 46 -9.108 0.205 12.034 1.00 43.32 H new ATOM 0 HD21 LEU A 46 -7.611 2.792 12.783 1.00 23.40 H new ATOM 0 HD22 LEU A 46 -7.586 2.073 11.155 1.00 23.40 H new ATOM 0 HD23 LEU A 46 -8.098 3.763 11.374 1.00 23.40 H new ATOM 771 N ALA A 47 -10.754 5.066 8.974 1.00 0.34 N ATOM 772 CA ALA A 47 -10.621 5.756 7.698 1.00 72.34 C ATOM 773 C ALA A 47 -9.501 5.147 6.859 1.00 11.53 C ATOM 774 O ALA A 47 -8.401 4.911 7.357 1.00 51.53 O ATOM 775 CB ALA A 47 -10.369 7.239 7.923 1.00 73.54 C ATOM 0 H ALA A 47 -10.364 5.572 9.769 1.00 0.34 H new ATOM 0 HA ALA A 47 -11.556 5.638 7.150 1.00 72.34 H new ATOM 0 HB1 ALA A 47 -10.272 7.742 6.961 1.00 73.54 H new ATOM 0 HB2 ALA A 47 -11.204 7.670 8.475 1.00 73.54 H new ATOM 0 HB3 ALA A 47 -9.450 7.369 8.495 1.00 73.54 H new ATOM 781 N GLU A 48 -9.791 4.896 5.587 1.00 23.10 N ATOM 782 CA GLU A 48 -8.807 4.314 4.681 1.00 1.51 C ATOM 783 C GLU A 48 -7.637 5.269 4.462 1.00 34.42 C ATOM 784 O GLU A 48 -6.561 4.859 4.026 1.00 52.32 O ATOM 785 CB GLU A 48 -9.457 3.970 3.339 1.00 42.41 C ATOM 786 CG GLU A 48 -10.196 5.136 2.705 1.00 51.33 C ATOM 787 CD GLU A 48 -11.619 4.784 2.318 1.00 53.23 C ATOM 788 OE1 GLU A 48 -12.411 4.441 3.222 1.00 40.35 O ATOM 789 OE2 GLU A 48 -11.941 4.850 1.114 1.00 54.30 O ATOM 0 H GLU A 48 -10.698 5.086 5.160 1.00 23.10 H new ATOM 0 HA GLU A 48 -8.427 3.400 5.137 1.00 1.51 H new ATOM 0 HB2 GLU A 48 -8.687 3.621 2.651 1.00 42.41 H new ATOM 0 HB3 GLU A 48 -10.154 3.144 3.483 1.00 42.41 H new ATOM 0 HG2 GLU A 48 -10.210 5.974 3.401 1.00 51.33 H new ATOM 0 HG3 GLU A 48 -9.654 5.466 1.819 1.00 51.33 H new ATOM 796 N SER A 49 -7.856 6.544 4.768 1.00 31.34 N ATOM 797 CA SER A 49 -6.822 7.558 4.601 1.00 12.33 C ATOM 798 C SER A 49 -5.667 7.321 5.569 1.00 13.42 C ATOM 799 O SER A 49 -4.608 7.940 5.455 1.00 1.32 O ATOM 800 CB SER A 49 -7.408 8.954 4.820 1.00 42.53 C ATOM 801 OG SER A 49 -8.561 9.155 4.020 1.00 64.12 O ATOM 0 H SER A 49 -8.740 6.899 5.133 1.00 31.34 H new ATOM 0 HA SER A 49 -6.439 7.488 3.583 1.00 12.33 H new ATOM 0 HB2 SER A 49 -7.664 9.083 5.872 1.00 42.53 H new ATOM 0 HB3 SER A 49 -6.659 9.708 4.579 1.00 42.53 H new ATOM 0 HG SER A 49 -8.917 10.054 4.180 1.00 64.12 H new ATOM 807 N LEU A 50 -5.878 6.422 6.524 1.00 51.13 N ATOM 808 CA LEU A 50 -4.856 6.101 7.514 1.00 42.04 C ATOM 809 C LEU A 50 -3.853 5.097 6.955 1.00 34.31 C ATOM 810 O LEU A 50 -2.942 4.657 7.658 1.00 1.13 O ATOM 811 CB LEU A 50 -5.503 5.542 8.782 1.00 53.22 C ATOM 812 CG LEU A 50 -6.623 6.386 9.393 1.00 70.04 C ATOM 813 CD1 LEU A 50 -7.329 5.617 10.498 1.00 4.24 C ATOM 814 CD2 LEU A 50 -6.070 7.700 9.924 1.00 10.53 C ATOM 0 H LEU A 50 -6.749 5.902 6.634 1.00 51.13 H new ATOM 0 HA LEU A 50 -4.323 7.019 7.761 1.00 42.04 H new ATOM 0 HB2 LEU A 50 -5.902 4.553 8.556 1.00 53.22 H new ATOM 0 HB3 LEU A 50 -4.725 5.408 9.534 1.00 53.22 H new ATOM 0 HG LEU A 50 -7.351 6.610 8.613 1.00 70.04 H new ATOM 0 HD11 LEU A 50 -8.122 6.233 10.921 1.00 4.24 H new ATOM 0 HD12 LEU A 50 -7.759 4.703 10.088 1.00 4.24 H new ATOM 0 HD13 LEU A 50 -6.613 5.362 11.279 1.00 4.24 H new ATOM 0 HD21 LEU A 50 -6.880 8.288 10.355 1.00 10.53 H new ATOM 0 HD22 LEU A 50 -5.322 7.497 10.690 1.00 10.53 H new ATOM 0 HD23 LEU A 50 -5.611 8.258 9.108 1.00 10.53 H new ATOM 826 N LEU A 51 -4.025 4.739 5.687 1.00 3.13 N ATOM 827 CA LEU A 51 -3.134 3.788 5.034 1.00 62.22 C ATOM 828 C LEU A 51 -1.878 4.485 4.518 1.00 33.20 C ATOM 829 O LEU A 51 -1.033 3.863 3.874 1.00 51.31 O ATOM 830 CB LEU A 51 -3.856 3.094 3.877 1.00 3.12 C ATOM 831 CG LEU A 51 -4.558 1.779 4.218 1.00 25.44 C ATOM 832 CD1 LEU A 51 -5.616 1.453 3.175 1.00 31.13 C ATOM 833 CD2 LEU A 51 -3.547 0.647 4.327 1.00 71.14 C ATOM 0 H LEU A 51 -4.773 5.093 5.091 1.00 3.13 H new ATOM 0 HA LEU A 51 -2.838 3.041 5.770 1.00 62.22 H new ATOM 0 HB2 LEU A 51 -4.596 3.783 3.471 1.00 3.12 H new ATOM 0 HB3 LEU A 51 -3.131 2.902 3.086 1.00 3.12 H new ATOM 0 HG LEU A 51 -5.051 1.892 5.183 1.00 25.44 H new ATOM 0 HD11 LEU A 51 -6.105 0.514 3.434 1.00 31.13 H new ATOM 0 HD12 LEU A 51 -6.357 2.252 3.146 1.00 31.13 H new ATOM 0 HD13 LEU A 51 -5.145 1.359 2.196 1.00 31.13 H new ATOM 0 HD21 LEU A 51 -4.065 -0.281 4.570 1.00 71.14 H new ATOM 0 HD22 LEU A 51 -3.025 0.533 3.377 1.00 71.14 H new ATOM 0 HD23 LEU A 51 -2.826 0.877 5.112 1.00 71.14 H new ATOM 845 N GLU A 52 -1.762 5.777 4.810 1.00 62.41 N ATOM 846 CA GLU A 52 -0.609 6.556 4.377 1.00 63.24 C ATOM 847 C GLU A 52 0.143 7.128 5.575 1.00 55.51 C ATOM 848 O GLU A 52 0.644 8.251 5.528 1.00 24.03 O ATOM 849 CB GLU A 52 -1.050 7.689 3.448 1.00 12.32 C ATOM 850 CG GLU A 52 -2.188 8.526 4.009 1.00 1.23 C ATOM 851 CD GLU A 52 -2.159 9.958 3.511 1.00 74.43 C ATOM 852 OE1 GLU A 52 -1.274 10.283 2.692 1.00 12.53 O ATOM 853 OE2 GLU A 52 -3.021 10.754 3.940 1.00 60.41 O ATOM 0 H GLU A 52 -2.452 6.305 5.344 1.00 62.41 H new ATOM 0 HA GLU A 52 0.062 5.891 3.833 1.00 63.24 H new ATOM 0 HB2 GLU A 52 -0.197 8.337 3.249 1.00 12.32 H new ATOM 0 HB3 GLU A 52 -1.358 7.265 2.492 1.00 12.32 H new ATOM 0 HG2 GLU A 52 -3.139 8.069 3.735 1.00 1.23 H new ATOM 0 HG3 GLU A 52 -2.134 8.523 5.098 1.00 1.23 H new ATOM 860 N SER A 53 0.214 6.347 6.648 1.00 1.45 N ATOM 861 CA SER A 53 0.900 6.778 7.862 1.00 31.41 C ATOM 862 C SER A 53 1.067 5.613 8.833 1.00 23.22 C ATOM 863 O SER A 53 0.115 4.886 9.119 1.00 23.33 O ATOM 864 CB SER A 53 0.125 7.911 8.536 1.00 13.12 C ATOM 865 OG SER A 53 -0.573 7.443 9.677 1.00 3.41 O ATOM 0 H SER A 53 -0.194 5.414 6.702 1.00 1.45 H new ATOM 0 HA SER A 53 1.889 7.141 7.582 1.00 31.41 H new ATOM 0 HB2 SER A 53 0.814 8.704 8.827 1.00 13.12 H new ATOM 0 HB3 SER A 53 -0.580 8.345 7.827 1.00 13.12 H new ATOM 0 HG SER A 53 -0.174 7.828 10.485 1.00 3.41 H new ATOM 871 N LYS A 54 2.284 5.441 9.337 1.00 1.43 N ATOM 872 CA LYS A 54 2.579 4.367 10.278 1.00 32.11 C ATOM 873 C LYS A 54 1.613 4.395 11.458 1.00 54.51 C ATOM 874 O LYS A 54 1.022 3.376 11.812 1.00 23.31 O ATOM 875 CB LYS A 54 4.019 4.482 10.782 1.00 51.41 C ATOM 876 CG LYS A 54 4.378 5.870 11.284 1.00 0.30 C ATOM 877 CD LYS A 54 5.862 5.989 11.583 1.00 3.55 C ATOM 878 CE LYS A 54 6.482 7.180 10.868 1.00 23.10 C ATOM 879 NZ LYS A 54 7.344 7.986 11.777 1.00 62.10 N ATOM 0 H LYS A 54 3.083 6.032 9.109 1.00 1.43 H new ATOM 0 HA LYS A 54 2.458 3.418 9.755 1.00 32.11 H new ATOM 0 HB2 LYS A 54 4.172 3.763 11.587 1.00 51.41 H new ATOM 0 HB3 LYS A 54 4.700 4.209 9.976 1.00 51.41 H new ATOM 0 HG2 LYS A 54 4.096 6.612 10.537 1.00 0.30 H new ATOM 0 HG3 LYS A 54 3.806 6.091 12.185 1.00 0.30 H new ATOM 0 HD2 LYS A 54 6.010 6.091 12.658 1.00 3.55 H new ATOM 0 HD3 LYS A 54 6.370 5.075 11.277 1.00 3.55 H new ATOM 0 HE2 LYS A 54 7.074 6.828 10.023 1.00 23.10 H new ATOM 0 HE3 LYS A 54 5.692 7.812 10.462 1.00 23.10 H new ATOM 0 HZ1 LYS A 54 7.748 8.788 11.252 1.00 62.10 H new ATOM 0 HZ2 LYS A 54 6.774 8.343 12.570 1.00 62.10 H new ATOM 0 HZ3 LYS A 54 8.113 7.390 12.144 1.00 62.10 H new ATOM 893 N GLU A 55 1.456 5.570 12.060 1.00 14.12 N ATOM 894 CA GLU A 55 0.560 5.731 13.199 1.00 60.30 C ATOM 895 C GLU A 55 -0.828 5.181 12.881 1.00 11.43 C ATOM 896 O GLU A 55 -1.393 4.408 13.654 1.00 53.32 O ATOM 897 CB GLU A 55 0.460 7.206 13.593 1.00 34.53 C ATOM 898 CG GLU A 55 1.293 7.569 14.812 1.00 74.34 C ATOM 899 CD GLU A 55 2.322 8.642 14.515 1.00 11.31 C ATOM 900 OE1 GLU A 55 3.362 8.315 13.904 1.00 34.43 O ATOM 901 OE2 GLU A 55 2.088 9.809 14.893 1.00 45.01 O ATOM 0 H GLU A 55 1.937 6.424 11.778 1.00 14.12 H new ATOM 0 HA GLU A 55 0.972 5.167 14.036 1.00 60.30 H new ATOM 0 HB2 GLU A 55 0.777 7.821 12.751 1.00 34.53 H new ATOM 0 HB3 GLU A 55 -0.584 7.451 13.791 1.00 34.53 H new ATOM 0 HG2 GLU A 55 0.634 7.913 15.609 1.00 74.34 H new ATOM 0 HG3 GLU A 55 1.799 6.677 15.180 1.00 74.34 H new ATOM 908 N GLY A 56 -1.372 5.588 11.738 1.00 25.42 N ATOM 909 CA GLY A 56 -2.688 5.129 11.338 1.00 74.54 C ATOM 910 C GLY A 56 -2.756 3.621 11.191 1.00 55.35 C ATOM 911 O GLY A 56 -3.695 2.986 11.672 1.00 20.34 O ATOM 0 H GLY A 56 -0.924 6.228 11.082 1.00 25.42 H new ATOM 0 HA2 GLY A 56 -3.422 5.453 12.076 1.00 74.54 H new ATOM 0 HA3 GLY A 56 -2.960 5.596 10.391 1.00 74.54 H new ATOM 915 N CYS A 57 -1.762 3.048 10.524 1.00 64.14 N ATOM 916 CA CYS A 57 -1.713 1.605 10.312 1.00 51.14 C ATOM 917 C CYS A 57 -1.512 0.869 11.632 1.00 41.04 C ATOM 918 O CYS A 57 -1.951 -0.270 11.792 1.00 52.30 O ATOM 919 CB CYS A 57 -0.589 1.248 9.338 1.00 3.51 C ATOM 920 SG CYS A 57 -1.158 0.837 7.672 1.00 53.12 S ATOM 0 H CYS A 57 -0.978 3.560 10.120 1.00 64.14 H new ATOM 0 HA CYS A 57 -2.666 1.293 9.884 1.00 51.14 H new ATOM 0 HB2 CYS A 57 0.104 2.087 9.277 1.00 3.51 H new ATOM 0 HB3 CYS A 57 -0.031 0.402 9.739 1.00 3.51 H new ATOM 0 HG CYS A 57 -0.811 1.782 6.850 1.00 53.12 H new ATOM 926 N GLN A 58 -0.843 1.526 12.574 1.00 23.35 N ATOM 927 CA GLN A 58 -0.582 0.932 13.879 1.00 5.13 C ATOM 928 C GLN A 58 -1.884 0.642 14.617 1.00 74.13 C ATOM 929 O GLN A 58 -2.047 -0.422 15.216 1.00 13.21 O ATOM 930 CB GLN A 58 0.297 1.861 14.720 1.00 43.13 C ATOM 931 CG GLN A 58 1.001 1.158 15.869 1.00 21.24 C ATOM 932 CD GLN A 58 2.068 2.020 16.515 1.00 71.45 C ATOM 933 OE1 GLN A 58 2.497 3.026 15.948 1.00 63.20 O ATOM 934 NE2 GLN A 58 2.502 1.631 17.708 1.00 34.23 N ATOM 0 H GLN A 58 -0.472 2.469 12.458 1.00 23.35 H new ATOM 0 HA GLN A 58 -0.057 -0.010 13.721 1.00 5.13 H new ATOM 0 HB2 GLN A 58 1.045 2.322 14.075 1.00 43.13 H new ATOM 0 HB3 GLN A 58 -0.319 2.666 15.121 1.00 43.13 H new ATOM 0 HG2 GLN A 58 0.265 0.873 16.621 1.00 21.24 H new ATOM 0 HG3 GLN A 58 1.456 0.237 15.503 1.00 21.24 H new ATOM 0 HE21 GLN A 58 2.119 0.791 18.141 1.00 34.23 H new ATOM 0 HE22 GLN A 58 3.219 2.172 18.191 1.00 34.23 H new ATOM 943 N LYS A 59 -2.810 1.594 14.569 1.00 32.44 N ATOM 944 CA LYS A 59 -4.100 1.441 15.231 1.00 50.42 C ATOM 945 C LYS A 59 -4.958 0.401 14.518 1.00 3.13 C ATOM 946 O LYS A 59 -5.940 -0.092 15.073 1.00 31.43 O ATOM 947 CB LYS A 59 -4.836 2.782 15.275 1.00 51.54 C ATOM 948 CG LYS A 59 -5.099 3.286 16.682 1.00 2.41 C ATOM 949 CD LYS A 59 -4.847 4.781 16.795 1.00 63.30 C ATOM 950 CE LYS A 59 -5.780 5.428 17.808 1.00 41.32 C ATOM 951 NZ LYS A 59 -5.113 5.636 19.123 1.00 62.03 N ATOM 0 H LYS A 59 -2.691 2.480 14.078 1.00 32.44 H new ATOM 0 HA LYS A 59 -3.919 1.099 16.250 1.00 50.42 H new ATOM 0 HB2 LYS A 59 -4.250 3.526 14.735 1.00 51.54 H new ATOM 0 HB3 LYS A 59 -5.786 2.683 14.750 1.00 51.54 H new ATOM 0 HG2 LYS A 59 -6.130 3.068 16.961 1.00 2.41 H new ATOM 0 HG3 LYS A 59 -4.459 2.754 17.386 1.00 2.41 H new ATOM 0 HD2 LYS A 59 -3.812 4.956 17.089 1.00 63.30 H new ATOM 0 HD3 LYS A 59 -4.985 5.249 15.820 1.00 63.30 H new ATOM 0 HE2 LYS A 59 -6.127 6.386 17.421 1.00 41.32 H new ATOM 0 HE3 LYS A 59 -6.661 4.800 17.943 1.00 41.32 H new ATOM 0 HZ1 LYS A 59 -5.782 6.079 19.785 1.00 62.03 H new ATOM 0 HZ2 LYS A 59 -4.804 4.719 19.504 1.00 62.03 H new ATOM 0 HZ3 LYS A 59 -4.287 6.256 18.999 1.00 62.03 H new ATOM 965 N ILE A 60 -4.580 0.072 13.287 1.00 24.52 N ATOM 966 CA ILE A 60 -5.313 -0.912 12.501 1.00 52.14 C ATOM 967 C ILE A 60 -4.849 -2.328 12.820 1.00 60.31 C ATOM 968 O ILE A 60 -5.658 -3.250 12.929 1.00 34.11 O ATOM 969 CB ILE A 60 -5.152 -0.658 10.991 1.00 70.04 C ATOM 970 CG1 ILE A 60 -5.674 0.733 10.626 1.00 72.12 C ATOM 971 CG2 ILE A 60 -5.880 -1.729 10.193 1.00 73.42 C ATOM 972 CD1 ILE A 60 -5.181 1.231 9.286 1.00 65.02 C ATOM 0 H ILE A 60 -3.771 0.473 12.813 1.00 24.52 H new ATOM 0 HA ILE A 60 -6.365 -0.809 12.769 1.00 52.14 H new ATOM 0 HB ILE A 60 -4.092 -0.704 10.742 1.00 70.04 H new ATOM 0 HG12 ILE A 60 -6.764 0.713 10.618 1.00 72.12 H new ATOM 0 HG13 ILE A 60 -5.374 1.439 11.400 1.00 72.12 H new ATOM 0 HG21 ILE A 60 -5.757 -1.536 9.127 1.00 73.42 H new ATOM 0 HG22 ILE A 60 -5.465 -2.708 10.434 1.00 73.42 H new ATOM 0 HG23 ILE A 60 -6.940 -1.712 10.445 1.00 73.42 H new ATOM 0 HD11 ILE A 60 -5.591 2.222 9.093 1.00 65.02 H new ATOM 0 HD12 ILE A 60 -4.092 1.284 9.296 1.00 65.02 H new ATOM 0 HD13 ILE A 60 -5.504 0.546 8.502 1.00 65.02 H new ATOM 984 N LEU A 61 -3.540 -2.496 12.970 1.00 4.01 N ATOM 985 CA LEU A 61 -2.965 -3.800 13.279 1.00 31.41 C ATOM 986 C LEU A 61 -3.426 -4.288 14.649 1.00 11.33 C ATOM 987 O LEU A 61 -3.668 -5.479 14.849 1.00 43.22 O ATOM 988 CB LEU A 61 -1.438 -3.730 13.238 1.00 64.33 C ATOM 989 CG LEU A 61 -0.803 -3.736 11.847 1.00 53.42 C ATOM 990 CD1 LEU A 61 0.698 -3.511 11.944 1.00 33.23 C ATOM 991 CD2 LEU A 61 -1.104 -5.042 11.128 1.00 23.04 C ATOM 0 H LEU A 61 -2.856 -1.744 12.882 1.00 4.01 H new ATOM 0 HA LEU A 61 -3.310 -4.508 12.526 1.00 31.41 H new ATOM 0 HB2 LEU A 61 -1.122 -2.825 13.756 1.00 64.33 H new ATOM 0 HB3 LEU A 61 -1.040 -4.575 13.801 1.00 64.33 H new ATOM 0 HG LEU A 61 -1.235 -2.919 11.268 1.00 53.42 H new ATOM 0 HD11 LEU A 61 1.132 -3.519 10.944 1.00 33.23 H new ATOM 0 HD12 LEU A 61 0.892 -2.548 12.417 1.00 33.23 H new ATOM 0 HD13 LEU A 61 1.147 -4.305 12.541 1.00 33.23 H new ATOM 0 HD21 LEU A 61 -0.644 -5.028 10.140 1.00 23.04 H new ATOM 0 HD22 LEU A 61 -0.701 -5.875 11.704 1.00 23.04 H new ATOM 0 HD23 LEU A 61 -2.183 -5.160 11.024 1.00 23.04 H new ATOM 1003 N THR A 62 -3.549 -3.358 15.592 1.00 61.31 N ATOM 1004 CA THR A 62 -3.983 -3.692 16.943 1.00 24.41 C ATOM 1005 C THR A 62 -5.409 -4.227 16.946 1.00 34.34 C ATOM 1006 O THR A 62 -5.758 -5.093 17.748 1.00 23.20 O ATOM 1007 CB THR A 62 -3.901 -2.470 17.877 1.00 33.43 C ATOM 1008 OG1 THR A 62 -3.722 -2.900 19.231 1.00 10.13 O ATOM 1009 CG2 THR A 62 -5.161 -1.624 17.771 1.00 71.54 C ATOM 0 H THR A 62 -3.354 -2.368 15.444 1.00 61.31 H new ATOM 0 HA THR A 62 -3.308 -4.466 17.310 1.00 24.41 H new ATOM 0 HB THR A 62 -3.048 -1.864 17.573 1.00 33.43 H new ATOM 0 HG1 THR A 62 -3.669 -2.117 19.818 1.00 10.13 H new ATOM 0 HG21 THR A 62 -5.081 -0.767 18.439 1.00 71.54 H new ATOM 0 HG22 THR A 62 -5.280 -1.275 16.745 1.00 71.54 H new ATOM 0 HG23 THR A 62 -6.027 -2.224 18.052 1.00 71.54 H new ATOM 1017 N VAL A 63 -6.235 -3.705 16.043 1.00 24.22 N ATOM 1018 CA VAL A 63 -7.624 -4.131 15.941 1.00 73.12 C ATOM 1019 C VAL A 63 -7.743 -5.436 15.161 1.00 34.42 C ATOM 1020 O VAL A 63 -8.652 -6.234 15.399 1.00 41.13 O ATOM 1021 CB VAL A 63 -8.493 -3.057 15.258 1.00 62.31 C ATOM 1022 CG1 VAL A 63 -9.917 -3.558 15.076 1.00 41.03 C ATOM 1023 CG2 VAL A 63 -8.471 -1.766 16.061 1.00 13.22 C ATOM 0 H VAL A 63 -5.964 -2.986 15.372 1.00 24.22 H new ATOM 0 HA VAL A 63 -7.983 -4.285 16.959 1.00 73.12 H new ATOM 0 HB VAL A 63 -8.078 -2.852 14.271 1.00 62.31 H new ATOM 0 HG11 VAL A 63 -10.515 -2.786 14.592 1.00 41.03 H new ATOM 0 HG12 VAL A 63 -9.911 -4.454 14.456 1.00 41.03 H new ATOM 0 HG13 VAL A 63 -10.347 -3.794 16.049 1.00 41.03 H new ATOM 0 HG21 VAL A 63 -9.090 -1.018 15.565 1.00 13.22 H new ATOM 0 HG22 VAL A 63 -8.861 -1.953 17.062 1.00 13.22 H new ATOM 0 HG23 VAL A 63 -7.447 -1.400 16.133 1.00 13.22 H new ATOM 1033 N LEU A 64 -6.819 -5.649 14.231 1.00 12.01 N ATOM 1034 CA LEU A 64 -6.819 -6.859 13.415 1.00 31.14 C ATOM 1035 C LEU A 64 -6.124 -8.005 14.143 1.00 71.40 C ATOM 1036 O LEU A 64 -6.361 -9.176 13.844 1.00 22.44 O ATOM 1037 CB LEU A 64 -6.128 -6.595 12.077 1.00 63.14 C ATOM 1038 CG LEU A 64 -6.849 -5.640 11.125 1.00 60.12 C ATOM 1039 CD1 LEU A 64 -5.937 -5.241 9.977 1.00 44.15 C ATOM 1040 CD2 LEU A 64 -8.126 -6.278 10.598 1.00 51.44 C ATOM 0 H LEU A 64 -6.060 -5.000 14.023 1.00 12.01 H new ATOM 0 HA LEU A 64 -7.855 -7.145 13.231 1.00 31.14 H new ATOM 0 HB2 LEU A 64 -5.134 -6.195 12.277 1.00 63.14 H new ATOM 0 HB3 LEU A 64 -5.991 -7.549 11.568 1.00 63.14 H new ATOM 0 HG LEU A 64 -7.117 -4.739 11.677 1.00 60.12 H new ATOM 0 HD11 LEU A 64 -6.468 -4.561 9.310 1.00 44.15 H new ATOM 0 HD12 LEU A 64 -5.051 -4.744 10.372 1.00 44.15 H new ATOM 0 HD13 LEU A 64 -5.637 -6.131 9.424 1.00 44.15 H new ATOM 0 HD21 LEU A 64 -8.627 -5.585 9.922 1.00 51.44 H new ATOM 0 HD22 LEU A 64 -7.880 -7.194 10.062 1.00 51.44 H new ATOM 0 HD23 LEU A 64 -8.787 -6.512 11.433 1.00 51.44 H new ATOM 1052 N ASP A 65 -5.269 -7.660 15.099 1.00 34.52 N ATOM 1053 CA ASP A 65 -4.543 -8.662 15.871 1.00 5.43 C ATOM 1054 C ASP A 65 -5.506 -9.636 16.542 1.00 52.22 C ATOM 1055 O ASP A 65 -5.487 -10.840 16.287 1.00 3.35 O ATOM 1056 CB ASP A 65 -3.666 -7.984 16.926 1.00 23.21 C ATOM 1057 CG ASP A 65 -2.189 -8.078 16.599 1.00 21.23 C ATOM 1058 OD1 ASP A 65 -1.713 -9.200 16.322 1.00 11.53 O ATOM 1059 OD2 ASP A 65 -1.508 -7.032 16.620 1.00 15.43 O ATOM 0 H ASP A 65 -5.062 -6.695 15.358 1.00 34.52 H new ATOM 0 HA ASP A 65 -3.908 -9.223 15.186 1.00 5.43 H new ATOM 0 HB2 ASP A 65 -3.950 -6.935 17.011 1.00 23.21 H new ATOM 0 HB3 ASP A 65 -3.850 -8.444 17.897 1.00 23.21 H new ATOM 1064 N PRO A 66 -6.368 -9.105 17.421 1.00 52.33 N ATOM 1065 CA PRO A 66 -7.356 -9.909 18.147 1.00 62.31 C ATOM 1066 C PRO A 66 -8.458 -10.437 17.235 1.00 42.32 C ATOM 1067 O PRO A 66 -9.209 -11.336 17.609 1.00 35.24 O ATOM 1068 CB PRO A 66 -7.932 -8.927 19.169 1.00 31.32 C ATOM 1069 CG PRO A 66 -7.725 -7.583 18.561 1.00 25.15 C ATOM 1070 CD PRO A 66 -6.447 -7.677 17.774 1.00 34.20 C ATOM 0 HA PRO A 66 -6.909 -10.797 18.594 1.00 62.31 H new ATOM 0 HB2 PRO A 66 -8.989 -9.120 19.352 1.00 31.32 H new ATOM 0 HB3 PRO A 66 -7.422 -9.010 20.129 1.00 31.32 H new ATOM 0 HG2 PRO A 66 -8.561 -7.313 17.916 1.00 25.15 H new ATOM 0 HG3 PRO A 66 -7.654 -6.814 19.330 1.00 25.15 H new ATOM 0 HD2 PRO A 66 -6.474 -7.045 16.887 1.00 34.20 H new ATOM 0 HD3 PRO A 66 -5.587 -7.361 18.365 1.00 34.20 H new ATOM 1078 N MET A 67 -8.547 -9.871 16.035 1.00 33.20 N ATOM 1079 CA MET A 67 -9.558 -10.287 15.069 1.00 51.51 C ATOM 1080 C MET A 67 -9.177 -11.613 14.421 1.00 75.51 C ATOM 1081 O MET A 67 -10.004 -12.262 13.779 1.00 65.01 O ATOM 1082 CB MET A 67 -9.737 -9.213 13.993 1.00 62.14 C ATOM 1083 CG MET A 67 -11.127 -8.598 13.973 1.00 3.10 C ATOM 1084 SD MET A 67 -11.463 -7.595 15.433 1.00 54.20 S ATOM 1085 CE MET A 67 -13.011 -6.825 14.965 1.00 53.11 C ATOM 0 H MET A 67 -7.933 -9.125 15.709 1.00 33.20 H new ATOM 0 HA MET A 67 -10.500 -10.420 15.600 1.00 51.51 H new ATOM 0 HB2 MET A 67 -9.002 -8.424 14.153 1.00 62.14 H new ATOM 0 HB3 MET A 67 -9.528 -9.650 13.017 1.00 62.14 H new ATOM 0 HG2 MET A 67 -11.235 -7.981 13.081 1.00 3.10 H new ATOM 0 HG3 MET A 67 -11.871 -9.392 13.903 1.00 3.10 H new ATOM 0 HE1 MET A 67 -13.574 -6.565 15.862 1.00 53.11 H new ATOM 0 HE2 MET A 67 -12.809 -5.922 14.389 1.00 53.11 H new ATOM 0 HE3 MET A 67 -13.594 -7.519 14.359 1.00 53.11 H new ATOM 1095 N VAL A 68 -7.921 -12.013 14.593 1.00 13.31 N ATOM 1096 CA VAL A 68 -7.432 -13.263 14.026 1.00 63.43 C ATOM 1097 C VAL A 68 -8.162 -14.461 14.623 1.00 34.34 C ATOM 1098 O VAL A 68 -8.788 -15.253 13.918 1.00 23.11 O ATOM 1099 CB VAL A 68 -5.918 -13.431 14.258 1.00 32.14 C ATOM 1100 CG1 VAL A 68 -5.548 -14.905 14.327 1.00 52.13 C ATOM 1101 CG2 VAL A 68 -5.130 -12.725 13.166 1.00 71.35 C ATOM 0 H VAL A 68 -7.224 -11.488 15.121 1.00 13.31 H new ATOM 0 HA VAL A 68 -7.626 -13.221 12.954 1.00 63.43 H new ATOM 0 HB VAL A 68 -5.662 -12.972 15.213 1.00 32.14 H new ATOM 0 HG11 VAL A 68 -4.475 -15.003 14.491 1.00 52.13 H new ATOM 0 HG12 VAL A 68 -6.086 -15.377 15.149 1.00 52.13 H new ATOM 0 HG13 VAL A 68 -5.818 -15.392 13.390 1.00 52.13 H new ATOM 0 HG21 VAL A 68 -4.063 -12.854 13.346 1.00 71.35 H new ATOM 0 HG22 VAL A 68 -5.389 -13.152 12.197 1.00 71.35 H new ATOM 0 HG23 VAL A 68 -5.373 -11.662 13.171 1.00 71.35 H new ATOM 1111 N PRO A 69 -8.084 -14.598 15.955 1.00 5.42 N ATOM 1112 CA PRO A 69 -8.732 -15.696 16.678 1.00 44.41 C ATOM 1113 C PRO A 69 -10.252 -15.568 16.683 1.00 23.41 C ATOM 1114 O PRO A 69 -10.958 -16.452 17.170 1.00 62.04 O ATOM 1115 CB PRO A 69 -8.180 -15.561 18.099 1.00 4.31 C ATOM 1116 CG PRO A 69 -7.808 -14.123 18.225 1.00 24.13 C ATOM 1117 CD PRO A 69 -7.355 -13.691 16.859 1.00 62.31 C ATOM 0 HA PRO A 69 -8.529 -16.663 16.218 1.00 44.41 H new ATOM 0 HB2 PRO A 69 -8.926 -15.844 18.842 1.00 4.31 H new ATOM 0 HB3 PRO A 69 -7.316 -16.208 18.252 1.00 4.31 H new ATOM 0 HG2 PRO A 69 -8.658 -13.528 18.561 1.00 24.13 H new ATOM 0 HG3 PRO A 69 -7.014 -13.988 18.960 1.00 24.13 H new ATOM 0 HD2 PRO A 69 -7.602 -12.647 16.665 1.00 62.31 H new ATOM 0 HD3 PRO A 69 -6.276 -13.790 16.743 1.00 62.31 H new ATOM 1125 N THR A 70 -10.750 -14.464 16.137 1.00 11.25 N ATOM 1126 CA THR A 70 -12.186 -14.221 16.079 1.00 1.13 C ATOM 1127 C THR A 70 -12.570 -13.498 14.793 1.00 62.02 C ATOM 1128 O THR A 70 -13.173 -12.427 14.827 1.00 14.42 O ATOM 1129 CB THR A 70 -12.664 -13.389 17.284 1.00 31.11 C ATOM 1130 OG1 THR A 70 -14.074 -13.153 17.188 1.00 63.02 O ATOM 1131 CG2 THR A 70 -11.926 -12.061 17.352 1.00 52.43 C ATOM 0 H THR A 70 -10.180 -13.723 15.728 1.00 11.25 H new ATOM 0 HA THR A 70 -12.673 -15.196 16.104 1.00 1.13 H new ATOM 0 HB THR A 70 -12.451 -13.951 18.193 1.00 31.11 H new ATOM 0 HG1 THR A 70 -14.264 -12.627 16.383 1.00 63.02 H new ATOM 0 HG21 THR A 70 -12.281 -11.491 18.211 1.00 52.43 H new ATOM 0 HG22 THR A 70 -10.856 -12.244 17.455 1.00 52.43 H new ATOM 0 HG23 THR A 70 -12.111 -11.495 16.439 1.00 52.43 H new ATOM 1139 N GLY A 71 -12.217 -14.093 13.657 1.00 31.43 N ATOM 1140 CA GLY A 71 -12.534 -13.491 12.375 1.00 24.21 C ATOM 1141 C GLY A 71 -12.772 -14.526 11.292 1.00 2.35 C ATOM 1142 O GLY A 71 -12.939 -15.710 11.582 1.00 34.21 O ATOM 0 H GLY A 71 -11.717 -14.981 13.602 1.00 31.43 H new ATOM 0 HA2 GLY A 71 -13.422 -12.868 12.479 1.00 24.21 H new ATOM 0 HA3 GLY A 71 -11.718 -12.835 12.073 1.00 24.21 H new ATOM 1146 N SER A 72 -12.788 -14.077 10.042 1.00 51.34 N ATOM 1147 CA SER A 72 -13.013 -14.972 8.912 1.00 45.23 C ATOM 1148 C SER A 72 -11.724 -15.186 8.124 1.00 40.13 C ATOM 1149 O SER A 72 -10.689 -14.599 8.437 1.00 63.11 O ATOM 1150 CB SER A 72 -14.097 -14.405 7.993 1.00 35.12 C ATOM 1151 OG SER A 72 -13.553 -13.471 7.077 1.00 71.04 O ATOM 0 H SER A 72 -12.648 -13.100 9.785 1.00 51.34 H new ATOM 0 HA SER A 72 -13.344 -15.934 9.303 1.00 45.23 H new ATOM 0 HB2 SER A 72 -14.576 -15.217 7.447 1.00 35.12 H new ATOM 0 HB3 SER A 72 -14.870 -13.924 8.592 1.00 35.12 H new ATOM 0 HG SER A 72 -14.266 -13.125 6.500 1.00 71.04 H new ATOM 1157 N GLU A 73 -11.798 -16.030 7.099 1.00 45.43 N ATOM 1158 CA GLU A 73 -10.637 -16.323 6.266 1.00 5.33 C ATOM 1159 C GLU A 73 -10.166 -15.071 5.530 1.00 2.22 C ATOM 1160 O GLU A 73 -8.977 -14.911 5.255 1.00 15.02 O ATOM 1161 CB GLU A 73 -10.969 -17.425 5.259 1.00 61.12 C ATOM 1162 CG GLU A 73 -10.887 -18.826 5.840 1.00 30.03 C ATOM 1163 CD GLU A 73 -10.450 -19.857 4.819 1.00 64.43 C ATOM 1164 OE1 GLU A 73 -11.101 -19.955 3.757 1.00 23.04 O ATOM 1165 OE2 GLU A 73 -9.456 -20.567 5.080 1.00 4.34 O ATOM 0 H GLU A 73 -12.649 -16.522 6.826 1.00 45.43 H new ATOM 0 HA GLU A 73 -9.832 -16.666 6.916 1.00 5.33 H new ATOM 0 HB2 GLU A 73 -11.974 -17.260 4.871 1.00 61.12 H new ATOM 0 HB3 GLU A 73 -10.285 -17.351 4.414 1.00 61.12 H new ATOM 0 HG2 GLU A 73 -10.187 -18.828 6.675 1.00 30.03 H new ATOM 0 HG3 GLU A 73 -11.861 -19.107 6.240 1.00 30.03 H new ATOM 1172 N ASN A 74 -11.108 -14.188 5.216 1.00 42.23 N ATOM 1173 CA ASN A 74 -10.790 -12.951 4.511 1.00 11.31 C ATOM 1174 C ASN A 74 -10.040 -11.984 5.421 1.00 50.54 C ATOM 1175 O ASN A 74 -8.971 -11.484 5.068 1.00 41.25 O ATOM 1176 CB ASN A 74 -12.070 -12.292 3.992 1.00 63.12 C ATOM 1177 CG ASN A 74 -12.604 -12.970 2.745 1.00 4.31 C ATOM 1178 OD1 ASN A 74 -11.973 -13.875 2.198 1.00 14.41 O ATOM 1179 ND2 ASN A 74 -13.772 -12.533 2.288 1.00 25.15 N ATOM 0 H ASN A 74 -12.097 -14.305 5.438 1.00 42.23 H new ATOM 0 HA ASN A 74 -10.148 -13.198 3.666 1.00 11.31 H new ATOM 0 HB2 ASN A 74 -12.831 -12.319 4.772 1.00 63.12 H new ATOM 0 HB3 ASN A 74 -11.873 -11.242 3.775 1.00 63.12 H new ATOM 0 HD21 ASN A 74 -14.181 -12.950 1.452 1.00 25.15 H new ATOM 0 HD22 ASN A 74 -14.260 -11.780 2.773 1.00 25.15 H new ATOM 1186 N LEU A 75 -10.606 -11.724 6.594 1.00 1.11 N ATOM 1187 CA LEU A 75 -9.991 -10.816 7.557 1.00 32.24 C ATOM 1188 C LEU A 75 -8.541 -11.207 7.824 1.00 35.33 C ATOM 1189 O LEU A 75 -7.650 -10.358 7.840 1.00 52.21 O ATOM 1190 CB LEU A 75 -10.781 -10.818 8.866 1.00 14.15 C ATOM 1191 CG LEU A 75 -10.099 -10.156 10.063 1.00 2.33 C ATOM 1192 CD1 LEU A 75 -11.101 -9.338 10.864 1.00 31.30 C ATOM 1193 CD2 LEU A 75 -9.436 -11.202 10.946 1.00 22.13 C ATOM 0 H LEU A 75 -11.490 -12.129 6.902 1.00 1.11 H new ATOM 0 HA LEU A 75 -10.005 -9.812 7.133 1.00 32.24 H new ATOM 0 HB2 LEU A 75 -11.733 -10.317 8.693 1.00 14.15 H new ATOM 0 HB3 LEU A 75 -11.008 -11.851 9.128 1.00 14.15 H new ATOM 0 HG LEU A 75 -9.327 -9.483 9.689 1.00 2.33 H new ATOM 0 HD11 LEU A 75 -10.597 -8.874 11.712 1.00 31.30 H new ATOM 0 HD12 LEU A 75 -11.529 -8.563 10.228 1.00 31.30 H new ATOM 0 HD13 LEU A 75 -11.896 -9.990 11.226 1.00 31.30 H new ATOM 0 HD21 LEU A 75 -8.956 -10.712 11.793 1.00 22.13 H new ATOM 0 HD22 LEU A 75 -10.189 -11.901 11.310 1.00 22.13 H new ATOM 0 HD23 LEU A 75 -8.687 -11.744 10.368 1.00 22.13 H new ATOM 1205 N LYS A 76 -8.311 -12.500 8.033 1.00 41.40 N ATOM 1206 CA LYS A 76 -6.969 -13.005 8.296 1.00 32.52 C ATOM 1207 C LYS A 76 -5.995 -12.553 7.213 1.00 75.33 C ATOM 1208 O LYS A 76 -4.797 -12.413 7.461 1.00 14.02 O ATOM 1209 CB LYS A 76 -6.985 -14.533 8.377 1.00 21.13 C ATOM 1210 CG LYS A 76 -7.324 -15.065 9.759 1.00 2.23 C ATOM 1211 CD LYS A 76 -7.177 -16.576 9.827 1.00 21.21 C ATOM 1212 CE LYS A 76 -7.851 -17.147 11.065 1.00 54.24 C ATOM 1213 NZ LYS A 76 -9.031 -17.986 10.716 1.00 33.24 N ATOM 0 H LYS A 76 -9.037 -13.216 8.025 1.00 41.40 H new ATOM 0 HA LYS A 76 -6.636 -12.599 9.251 1.00 32.52 H new ATOM 0 HB2 LYS A 76 -7.710 -14.919 7.660 1.00 21.13 H new ATOM 0 HB3 LYS A 76 -6.008 -14.915 8.079 1.00 21.13 H new ATOM 0 HG2 LYS A 76 -6.671 -14.601 10.498 1.00 2.23 H new ATOM 0 HG3 LYS A 76 -8.346 -14.786 10.017 1.00 2.23 H new ATOM 0 HD2 LYS A 76 -7.613 -17.025 8.935 1.00 21.21 H new ATOM 0 HD3 LYS A 76 -6.119 -16.840 9.833 1.00 21.21 H new ATOM 0 HE2 LYS A 76 -7.133 -17.745 11.626 1.00 54.24 H new ATOM 0 HE3 LYS A 76 -8.165 -16.332 11.717 1.00 54.24 H new ATOM 0 HZ1 LYS A 76 -9.463 -18.357 11.586 1.00 33.24 H new ATOM 0 HZ2 LYS A 76 -9.727 -17.409 10.202 1.00 33.24 H new ATOM 0 HZ3 LYS A 76 -8.728 -18.779 10.115 1.00 33.24 H new ATOM 1227 N SER A 77 -6.517 -12.326 6.012 1.00 41.41 N ATOM 1228 CA SER A 77 -5.692 -11.892 4.890 1.00 50.32 C ATOM 1229 C SER A 77 -5.279 -10.432 5.052 1.00 31.10 C ATOM 1230 O SER A 77 -4.121 -10.075 4.835 1.00 44.33 O ATOM 1231 CB SER A 77 -6.448 -12.076 3.573 1.00 55.02 C ATOM 1232 OG SER A 77 -5.713 -12.884 2.672 1.00 63.35 O ATOM 0 H SER A 77 -7.507 -12.435 5.791 1.00 41.41 H new ATOM 0 HA SER A 77 -4.792 -12.507 4.874 1.00 50.32 H new ATOM 0 HB2 SER A 77 -7.418 -12.533 3.768 1.00 55.02 H new ATOM 0 HB3 SER A 77 -6.639 -11.103 3.121 1.00 55.02 H new ATOM 0 HG SER A 77 -6.218 -12.988 1.839 1.00 63.35 H new ATOM 1238 N LEU A 78 -6.234 -9.593 5.436 1.00 1.32 N ATOM 1239 CA LEU A 78 -5.971 -8.171 5.629 1.00 51.11 C ATOM 1240 C LEU A 78 -4.924 -7.953 6.717 1.00 65.14 C ATOM 1241 O LEU A 78 -4.023 -7.126 6.570 1.00 71.33 O ATOM 1242 CB LEU A 78 -7.263 -7.438 5.995 1.00 71.12 C ATOM 1243 CG LEU A 78 -7.104 -5.992 6.464 1.00 52.11 C ATOM 1244 CD1 LEU A 78 -6.632 -5.107 5.321 1.00 75.41 C ATOM 1245 CD2 LEU A 78 -8.413 -5.470 7.039 1.00 25.22 C ATOM 0 H LEU A 78 -7.198 -9.872 5.620 1.00 1.32 H new ATOM 0 HA LEU A 78 -5.585 -7.768 4.693 1.00 51.11 H new ATOM 0 HB2 LEU A 78 -7.921 -7.447 5.126 1.00 71.12 H new ATOM 0 HB3 LEU A 78 -7.766 -8.001 6.781 1.00 71.12 H new ATOM 0 HG LEU A 78 -6.349 -5.968 7.250 1.00 52.11 H new ATOM 0 HD11 LEU A 78 -6.525 -4.082 5.675 1.00 75.41 H new ATOM 0 HD12 LEU A 78 -5.670 -5.467 4.955 1.00 75.41 H new ATOM 0 HD13 LEU A 78 -7.362 -5.137 4.512 1.00 75.41 H new ATOM 0 HD21 LEU A 78 -8.281 -4.439 7.368 1.00 25.22 H new ATOM 0 HD22 LEU A 78 -9.188 -5.510 6.274 1.00 25.22 H new ATOM 0 HD23 LEU A 78 -8.709 -6.086 7.888 1.00 25.22 H new ATOM 1257 N PHE A 79 -5.048 -8.701 7.808 1.00 3.20 N ATOM 1258 CA PHE A 79 -4.111 -8.591 8.920 1.00 63.23 C ATOM 1259 C PHE A 79 -2.670 -8.709 8.432 1.00 23.13 C ATOM 1260 O PHE A 79 -1.774 -8.038 8.942 1.00 52.52 O ATOM 1261 CB PHE A 79 -4.397 -9.672 9.964 1.00 31.33 C ATOM 1262 CG PHE A 79 -3.460 -9.636 11.137 1.00 2.04 C ATOM 1263 CD1 PHE A 79 -3.175 -8.441 11.777 1.00 44.43 C ATOM 1264 CD2 PHE A 79 -2.863 -10.798 11.599 1.00 30.44 C ATOM 1265 CE1 PHE A 79 -2.313 -8.404 12.856 1.00 43.10 C ATOM 1266 CE2 PHE A 79 -2.001 -10.768 12.680 1.00 42.25 C ATOM 1267 CZ PHE A 79 -1.724 -9.569 13.307 1.00 22.02 C ATOM 0 H PHE A 79 -5.788 -9.390 7.946 1.00 3.20 H new ATOM 0 HA PHE A 79 -4.242 -7.610 9.377 1.00 63.23 H new ATOM 0 HB2 PHE A 79 -5.420 -9.558 10.323 1.00 31.33 H new ATOM 0 HB3 PHE A 79 -4.334 -10.651 9.489 1.00 31.33 H new ATOM 0 HD1 PHE A 79 -3.632 -7.527 11.428 1.00 44.43 H new ATOM 0 HD2 PHE A 79 -3.073 -11.737 11.109 1.00 30.44 H new ATOM 0 HE1 PHE A 79 -2.100 -7.465 13.346 1.00 43.10 H new ATOM 0 HE2 PHE A 79 -1.545 -11.681 13.033 1.00 42.25 H new ATOM 0 HZ PHE A 79 -1.048 -9.542 14.149 1.00 22.02 H new ATOM 1277 N ASN A 80 -2.456 -9.568 7.441 1.00 3.22 N ATOM 1278 CA ASN A 80 -1.124 -9.775 6.883 1.00 21.35 C ATOM 1279 C ASN A 80 -0.743 -8.634 5.945 1.00 15.34 C ATOM 1280 O ASN A 80 0.388 -8.148 5.968 1.00 63.22 O ATOM 1281 CB ASN A 80 -1.063 -11.108 6.135 1.00 52.52 C ATOM 1282 CG ASN A 80 -0.430 -12.209 6.964 1.00 50.03 C ATOM 1283 OD1 ASN A 80 -0.719 -12.351 8.152 1.00 41.53 O ATOM 1284 ND2 ASN A 80 0.439 -12.995 6.338 1.00 54.00 N ATOM 0 H ASN A 80 -3.187 -10.132 7.008 1.00 3.22 H new ATOM 0 HA ASN A 80 -0.411 -9.796 7.708 1.00 21.35 H new ATOM 0 HB2 ASN A 80 -2.071 -11.407 5.849 1.00 52.52 H new ATOM 0 HB3 ASN A 80 -0.495 -10.979 5.214 1.00 52.52 H new ATOM 0 HD21 ASN A 80 0.897 -13.753 6.844 1.00 54.00 H new ATOM 0 HD22 ASN A 80 0.648 -12.840 5.352 1.00 54.00 H new ATOM 1291 N THR A 81 -1.696 -8.210 5.121 1.00 24.22 N ATOM 1292 CA THR A 81 -1.461 -7.127 4.174 1.00 15.42 C ATOM 1293 C THR A 81 -1.111 -5.832 4.897 1.00 43.33 C ATOM 1294 O THR A 81 -0.187 -5.120 4.504 1.00 51.30 O ATOM 1295 CB THR A 81 -2.692 -6.886 3.280 1.00 14.42 C ATOM 1296 OG1 THR A 81 -3.095 -8.113 2.661 1.00 52.51 O ATOM 1297 CG2 THR A 81 -2.389 -5.847 2.211 1.00 21.33 C ATOM 0 H THR A 81 -2.638 -8.600 5.090 1.00 24.22 H new ATOM 0 HA THR A 81 -0.621 -7.430 3.549 1.00 15.42 H new ATOM 0 HB THR A 81 -3.502 -6.513 3.907 1.00 14.42 H new ATOM 0 HG1 THR A 81 -3.520 -8.692 3.328 1.00 52.51 H new ATOM 0 HG21 THR A 81 -3.273 -5.693 1.592 1.00 21.33 H new ATOM 0 HG22 THR A 81 -2.111 -4.906 2.686 1.00 21.33 H new ATOM 0 HG23 THR A 81 -1.566 -6.196 1.588 1.00 21.33 H new ATOM 1305 N VAL A 82 -1.854 -5.531 5.957 1.00 14.13 N ATOM 1306 CA VAL A 82 -1.620 -4.321 6.737 1.00 53.21 C ATOM 1307 C VAL A 82 -0.154 -4.197 7.134 1.00 62.24 C ATOM 1308 O VAL A 82 0.473 -3.158 6.920 1.00 31.42 O ATOM 1309 CB VAL A 82 -2.488 -4.296 8.009 1.00 35.54 C ATOM 1310 CG1 VAL A 82 -2.171 -3.068 8.848 1.00 34.34 C ATOM 1311 CG2 VAL A 82 -3.966 -4.338 7.647 1.00 42.35 C ATOM 0 H VAL A 82 -2.624 -6.109 6.296 1.00 14.13 H new ATOM 0 HA VAL A 82 -1.894 -3.478 6.102 1.00 53.21 H new ATOM 0 HB VAL A 82 -2.258 -5.181 8.602 1.00 35.54 H new ATOM 0 HG11 VAL A 82 -2.794 -3.068 9.742 1.00 34.34 H new ATOM 0 HG12 VAL A 82 -1.120 -3.087 9.138 1.00 34.34 H new ATOM 0 HG13 VAL A 82 -2.371 -2.168 8.266 1.00 34.34 H new ATOM 0 HG21 VAL A 82 -4.564 -4.320 8.558 1.00 42.35 H new ATOM 0 HG22 VAL A 82 -4.215 -3.473 7.032 1.00 42.35 H new ATOM 0 HG23 VAL A 82 -4.179 -5.251 7.092 1.00 42.35 H new ATOM 1321 N CYS A 83 0.389 -5.264 7.711 1.00 45.24 N ATOM 1322 CA CYS A 83 1.784 -5.275 8.138 1.00 61.52 C ATOM 1323 C CYS A 83 2.692 -4.723 7.044 1.00 63.33 C ATOM 1324 O CYS A 83 3.608 -3.947 7.316 1.00 52.51 O ATOM 1325 CB CYS A 83 2.214 -6.696 8.506 1.00 61.45 C ATOM 1326 SG CYS A 83 1.517 -7.299 10.062 1.00 74.14 S ATOM 0 H CYS A 83 -0.115 -6.132 7.894 1.00 45.24 H new ATOM 0 HA CYS A 83 1.875 -4.636 9.016 1.00 61.52 H new ATOM 0 HB2 CYS A 83 1.921 -7.372 7.703 1.00 61.45 H new ATOM 0 HB3 CYS A 83 3.302 -6.730 8.570 1.00 61.45 H new ATOM 0 HG CYS A 83 0.275 -7.635 9.880 1.00 74.14 H new ATOM 1332 N VAL A 84 2.434 -5.131 5.806 1.00 72.31 N ATOM 1333 CA VAL A 84 3.228 -4.678 4.670 1.00 13.31 C ATOM 1334 C VAL A 84 3.175 -3.160 4.533 1.00 63.13 C ATOM 1335 O VAL A 84 4.186 -2.517 4.249 1.00 53.33 O ATOM 1336 CB VAL A 84 2.744 -5.318 3.355 1.00 72.31 C ATOM 1337 CG1 VAL A 84 3.517 -4.757 2.172 1.00 43.04 C ATOM 1338 CG2 VAL A 84 2.878 -6.832 3.420 1.00 54.10 C ATOM 0 H VAL A 84 1.681 -5.775 5.564 1.00 72.31 H new ATOM 0 HA VAL A 84 4.256 -4.988 4.859 1.00 13.31 H new ATOM 0 HB VAL A 84 1.690 -5.074 3.218 1.00 72.31 H new ATOM 0 HG11 VAL A 84 3.161 -5.221 1.252 1.00 43.04 H new ATOM 0 HG12 VAL A 84 3.366 -3.679 2.117 1.00 43.04 H new ATOM 0 HG13 VAL A 84 4.579 -4.968 2.298 1.00 43.04 H new ATOM 0 HG21 VAL A 84 2.532 -7.268 2.483 1.00 54.10 H new ATOM 0 HG22 VAL A 84 3.923 -7.098 3.580 1.00 54.10 H new ATOM 0 HG23 VAL A 84 2.276 -7.216 4.243 1.00 54.10 H new ATOM 1348 N ILE A 85 1.990 -2.594 4.737 1.00 31.14 N ATOM 1349 CA ILE A 85 1.806 -1.152 4.638 1.00 70.43 C ATOM 1350 C ILE A 85 2.499 -0.429 5.788 1.00 31.21 C ATOM 1351 O ILE A 85 3.262 0.512 5.572 1.00 42.15 O ATOM 1352 CB ILE A 85 0.313 -0.774 4.634 1.00 35.11 C ATOM 1353 CG1 ILE A 85 -0.420 -1.510 3.509 1.00 4.43 C ATOM 1354 CG2 ILE A 85 0.147 0.731 4.485 1.00 25.34 C ATOM 1355 CD1 ILE A 85 -0.040 -1.030 2.126 1.00 0.13 C ATOM 0 H ILE A 85 1.143 -3.112 4.972 1.00 31.14 H new ATOM 0 HA ILE A 85 2.254 -0.841 3.694 1.00 70.43 H new ATOM 0 HB ILE A 85 -0.125 -1.076 5.586 1.00 35.11 H new ATOM 0 HG12 ILE A 85 -0.209 -2.577 3.585 1.00 4.43 H new ATOM 0 HG13 ILE A 85 -1.494 -1.387 3.645 1.00 4.43 H new ATOM 0 HG21 ILE A 85 -0.914 0.982 4.484 1.00 25.34 H new ATOM 0 HG22 ILE A 85 0.638 1.235 5.317 1.00 25.34 H new ATOM 0 HG23 ILE A 85 0.597 1.056 3.547 1.00 25.34 H new ATOM 0 HD11 ILE A 85 -0.597 -1.595 1.379 1.00 0.13 H new ATOM 0 HD12 ILE A 85 -0.277 0.030 2.031 1.00 0.13 H new ATOM 0 HD13 ILE A 85 1.029 -1.178 1.970 1.00 0.13 H new ATOM 1367 N TRP A 86 2.228 -0.876 7.008 1.00 2.55 N ATOM 1368 CA TRP A 86 2.827 -0.272 8.193 1.00 1.14 C ATOM 1369 C TRP A 86 4.348 -0.266 8.091 1.00 44.34 C ATOM 1370 O TRP A 86 4.993 0.751 8.350 1.00 44.13 O ATOM 1371 CB TRP A 86 2.391 -1.026 9.451 1.00 1.23 C ATOM 1372 CG TRP A 86 2.900 -0.410 10.720 1.00 51.45 C ATOM 1373 CD1 TRP A 86 2.232 0.461 11.533 1.00 71.41 C ATOM 1374 CD2 TRP A 86 4.185 -0.615 11.317 1.00 70.40 C ATOM 1375 NE1 TRP A 86 3.025 0.807 12.600 1.00 12.43 N ATOM 1376 CE2 TRP A 86 4.227 0.160 12.491 1.00 10.23 C ATOM 1377 CE3 TRP A 86 5.303 -1.382 10.975 1.00 12.41 C ATOM 1378 CZ2 TRP A 86 5.343 0.192 13.324 1.00 62.33 C ATOM 1379 CZ3 TRP A 86 6.410 -1.349 11.802 1.00 73.24 C ATOM 1380 CH2 TRP A 86 6.424 -0.568 12.965 1.00 54.32 C ATOM 0 H TRP A 86 1.598 -1.654 7.203 1.00 2.55 H new ATOM 0 HA TRP A 86 2.482 0.760 8.258 1.00 1.14 H new ATOM 0 HB2 TRP A 86 1.302 -1.063 9.485 1.00 1.23 H new ATOM 0 HB3 TRP A 86 2.743 -2.056 9.389 1.00 1.23 H new ATOM 0 HD1 TRP A 86 1.229 0.824 11.362 1.00 71.41 H new ATOM 0 HE1 TRP A 86 2.761 1.443 13.352 1.00 12.43 H new ATOM 0 HE3 TRP A 86 5.302 -1.989 10.082 1.00 12.41 H new ATOM 0 HZ2 TRP A 86 5.355 0.794 14.220 1.00 62.33 H new ATOM 0 HZ3 TRP A 86 7.280 -1.936 11.547 1.00 73.24 H new ATOM 0 HH2 TRP A 86 7.304 -0.565 13.591 1.00 54.32 H new ATOM 1391 N CYS A 87 4.916 -1.406 7.714 1.00 62.13 N ATOM 1392 CA CYS A 87 6.363 -1.532 7.578 1.00 42.44 C ATOM 1393 C CYS A 87 6.928 -0.405 6.718 1.00 31.23 C ATOM 1394 O CYS A 87 7.845 0.305 7.133 1.00 43.02 O ATOM 1395 CB CYS A 87 6.723 -2.886 6.965 1.00 11.44 C ATOM 1396 SG CYS A 87 7.403 -4.073 8.147 1.00 24.01 S ATOM 0 H CYS A 87 4.397 -2.257 7.497 1.00 62.13 H new ATOM 0 HA CYS A 87 6.804 -1.463 8.572 1.00 42.44 H new ATOM 0 HB2 CYS A 87 5.831 -3.315 6.508 1.00 11.44 H new ATOM 0 HB3 CYS A 87 7.447 -2.730 6.165 1.00 11.44 H new ATOM 0 HG CYS A 87 7.674 -5.188 7.535 1.00 24.01 H new ATOM 1402 N ILE A 88 6.377 -0.248 5.521 1.00 53.35 N ATOM 1403 CA ILE A 88 6.826 0.792 4.603 1.00 64.43 C ATOM 1404 C ILE A 88 6.823 2.160 5.278 1.00 33.22 C ATOM 1405 O ILE A 88 7.688 2.995 5.015 1.00 54.33 O ATOM 1406 CB ILE A 88 5.942 0.852 3.343 1.00 64.44 C ATOM 1407 CG1 ILE A 88 5.946 -0.500 2.626 1.00 23.10 C ATOM 1408 CG2 ILE A 88 6.424 1.952 2.410 1.00 1.21 C ATOM 1409 CD1 ILE A 88 4.665 -0.791 1.877 1.00 40.44 C ATOM 0 H ILE A 88 5.618 -0.828 5.163 1.00 53.35 H new ATOM 0 HA ILE A 88 7.844 0.536 4.310 1.00 64.43 H new ATOM 0 HB ILE A 88 4.920 1.080 3.645 1.00 64.44 H new ATOM 0 HG12 ILE A 88 6.781 -0.528 1.926 1.00 23.10 H new ATOM 0 HG13 ILE A 88 6.117 -1.290 3.358 1.00 23.10 H new ATOM 0 HG21 ILE A 88 5.789 1.982 1.524 1.00 1.21 H new ATOM 0 HG22 ILE A 88 6.375 2.912 2.924 1.00 1.21 H new ATOM 0 HG23 ILE A 88 7.453 1.752 2.112 1.00 1.21 H new ATOM 0 HD11 ILE A 88 4.739 -1.765 1.394 1.00 40.44 H new ATOM 0 HD12 ILE A 88 3.828 -0.795 2.575 1.00 40.44 H new ATOM 0 HD13 ILE A 88 4.503 -0.022 1.121 1.00 40.44 H new ATOM 1421 N HIS A 89 5.845 2.380 6.151 1.00 31.42 N ATOM 1422 CA HIS A 89 5.729 3.646 6.867 1.00 61.42 C ATOM 1423 C HIS A 89 6.760 3.730 7.989 1.00 11.53 C ATOM 1424 O HIS A 89 7.199 4.845 8.271 1.00 23.13 O ATOM 1425 CB HIS A 89 4.321 3.806 7.440 1.00 71.32 C ATOM 1426 CG HIS A 89 3.248 3.823 6.395 1.00 12.52 C ATOM 1427 ND1 HIS A 89 3.411 4.413 5.159 1.00 10.43 N ATOM 1428 CD2 HIS A 89 1.992 3.320 6.406 1.00 32.14 C ATOM 1429 CE1 HIS A 89 2.301 4.271 4.456 1.00 12.12 C ATOM 1430 NE2 HIS A 89 1.425 3.610 5.191 1.00 32.33 N ATOM 0 H HIS A 89 5.121 1.698 6.380 1.00 31.42 H new ATOM 0 HA HIS A 89 5.918 4.454 6.160 1.00 61.42 H new ATOM 0 HB2 HIS A 89 4.126 2.990 8.136 1.00 71.32 H new ATOM 0 HB3 HIS A 89 4.274 4.732 8.013 1.00 71.32 H new ATOM 0 HD2 HIS A 89 1.523 2.789 7.221 1.00 32.14 H new ATOM 0 HE1 HIS A 89 2.138 4.634 3.452 1.00 12.12 H new ATOM 0 HE2 HIS A 89 0.480 3.356 4.902 1.00 32.33 H new ATOM 1438 N ALA A 90 7.144 2.621 8.615 1.00 53.45 N ATOM 1439 CA ALA A 90 8.127 2.652 9.691 1.00 54.25 C ATOM 1440 C ALA A 90 9.545 2.541 9.142 1.00 3.23 C ATOM 1441 O ALA A 90 10.492 2.309 9.891 1.00 23.51 O ATOM 1442 CB ALA A 90 7.854 1.535 10.686 1.00 51.43 C ATOM 0 H ALA A 90 6.789 1.690 8.395 1.00 53.45 H new ATOM 0 HA ALA A 90 8.039 3.610 10.204 1.00 54.25 H new ATOM 0 HB1 ALA A 90 8.595 1.570 11.484 1.00 51.43 H new ATOM 0 HB2 ALA A 90 6.858 1.661 11.110 1.00 51.43 H new ATOM 0 HB3 ALA A 90 7.913 0.573 10.178 1.00 51.43 H new ATOM 1448 N GLU A 91 9.682 2.708 7.830 1.00 23.31 N ATOM 1449 CA GLU A 91 10.986 2.623 7.182 1.00 10.01 C ATOM 1450 C GLU A 91 11.512 1.191 7.202 1.00 54.11 C ATOM 1451 O GLU A 91 12.658 0.935 6.836 1.00 51.44 O ATOM 1452 CB GLU A 91 11.985 3.554 7.873 1.00 14.22 C ATOM 1453 CG GLU A 91 13.082 4.060 6.952 1.00 5.55 C ATOM 1454 CD GLU A 91 12.687 5.322 6.210 1.00 13.43 C ATOM 1455 OE1 GLU A 91 11.954 6.148 6.793 1.00 14.24 O ATOM 1456 OE2 GLU A 91 13.111 5.483 5.047 1.00 15.31 O ATOM 0 H GLU A 91 8.907 2.903 7.196 1.00 23.31 H new ATOM 0 HA GLU A 91 10.868 2.934 6.144 1.00 10.01 H new ATOM 0 HB2 GLU A 91 11.447 4.407 8.287 1.00 14.22 H new ATOM 0 HB3 GLU A 91 12.440 3.027 8.711 1.00 14.22 H new ATOM 0 HG2 GLU A 91 13.981 4.254 7.537 1.00 5.55 H new ATOM 0 HG3 GLU A 91 13.332 3.282 6.230 1.00 5.55 H new ATOM 1463 N GLU A 92 10.664 0.261 7.633 1.00 4.42 N ATOM 1464 CA GLU A 92 11.045 -1.145 7.702 1.00 15.23 C ATOM 1465 C GLU A 92 11.174 -1.742 6.304 1.00 5.10 C ATOM 1466 O GLU A 92 10.225 -1.731 5.520 1.00 13.33 O ATOM 1467 CB GLU A 92 10.015 -1.935 8.513 1.00 3.54 C ATOM 1468 CG GLU A 92 9.924 -1.502 9.967 1.00 34.35 C ATOM 1469 CD GLU A 92 11.268 -1.528 10.669 1.00 14.14 C ATOM 1470 OE1 GLU A 92 12.030 -0.549 10.528 1.00 60.25 O ATOM 1471 OE2 GLU A 92 11.557 -2.528 11.360 1.00 40.15 O ATOM 0 H GLU A 92 9.711 0.456 7.939 1.00 4.42 H new ATOM 0 HA GLU A 92 12.014 -1.210 8.197 1.00 15.23 H new ATOM 0 HB2 GLU A 92 9.036 -1.824 8.048 1.00 3.54 H new ATOM 0 HB3 GLU A 92 10.269 -2.994 8.473 1.00 3.54 H new ATOM 0 HG2 GLU A 92 9.512 -0.494 10.017 1.00 34.35 H new ATOM 0 HG3 GLU A 92 9.230 -2.157 10.494 1.00 34.35 H new ATOM 1478 N LYS A 93 12.357 -2.264 5.999 1.00 44.44 N ATOM 1479 CA LYS A 93 12.614 -2.867 4.696 1.00 60.23 C ATOM 1480 C LYS A 93 12.406 -4.377 4.746 1.00 62.22 C ATOM 1481 O LYS A 93 12.990 -5.068 5.582 1.00 41.12 O ATOM 1482 CB LYS A 93 14.040 -2.553 4.238 1.00 65.41 C ATOM 1483 CG LYS A 93 14.146 -1.286 3.408 1.00 2.30 C ATOM 1484 CD LYS A 93 15.308 -0.417 3.862 1.00 13.32 C ATOM 1485 CE LYS A 93 15.972 0.285 2.688 1.00 63.34 C ATOM 1486 NZ LYS A 93 16.969 -0.590 2.011 1.00 42.33 N ATOM 0 H LYS A 93 13.153 -2.282 6.636 1.00 44.44 H new ATOM 0 HA LYS A 93 11.908 -2.444 3.981 1.00 60.23 H new ATOM 0 HB2 LYS A 93 14.682 -2.458 5.114 1.00 65.41 H new ATOM 0 HB3 LYS A 93 14.419 -3.392 3.655 1.00 65.41 H new ATOM 0 HG2 LYS A 93 14.275 -1.548 2.358 1.00 2.30 H new ATOM 0 HG3 LYS A 93 13.217 -0.721 3.484 1.00 2.30 H new ATOM 0 HD2 LYS A 93 14.951 0.325 4.576 1.00 13.32 H new ATOM 0 HD3 LYS A 93 16.042 -1.032 4.382 1.00 13.32 H new ATOM 0 HE2 LYS A 93 15.211 0.591 1.970 1.00 63.34 H new ATOM 0 HE3 LYS A 93 16.464 1.193 3.038 1.00 63.34 H new ATOM 0 HZ1 LYS A 93 17.400 -0.075 1.216 1.00 42.33 H new ATOM 0 HZ2 LYS A 93 17.709 -0.862 2.689 1.00 42.33 H new ATOM 0 HZ3 LYS A 93 16.495 -1.444 1.654 1.00 42.33 H new ATOM 1500 N VAL A 94 11.572 -4.886 3.844 1.00 0.44 N ATOM 1501 CA VAL A 94 11.289 -6.314 3.784 1.00 64.31 C ATOM 1502 C VAL A 94 11.582 -6.875 2.397 1.00 40.53 C ATOM 1503 O VAL A 94 12.132 -6.183 1.539 1.00 31.11 O ATOM 1504 CB VAL A 94 9.823 -6.612 4.146 1.00 14.05 C ATOM 1505 CG1 VAL A 94 9.499 -6.087 5.537 1.00 24.32 C ATOM 1506 CG2 VAL A 94 8.885 -6.012 3.110 1.00 32.53 C ATOM 0 H VAL A 94 11.081 -4.329 3.145 1.00 0.44 H new ATOM 0 HA VAL A 94 11.941 -6.796 4.513 1.00 64.31 H new ATOM 0 HB VAL A 94 9.681 -7.693 4.149 1.00 14.05 H new ATOM 0 HG11 VAL A 94 8.458 -6.307 5.776 1.00 24.32 H new ATOM 0 HG12 VAL A 94 10.148 -6.569 6.268 1.00 24.32 H new ATOM 0 HG13 VAL A 94 9.658 -5.009 5.565 1.00 24.32 H new ATOM 0 HG21 VAL A 94 7.853 -6.233 3.382 1.00 32.53 H new ATOM 0 HG22 VAL A 94 9.027 -4.932 3.073 1.00 32.53 H new ATOM 0 HG23 VAL A 94 9.102 -6.441 2.132 1.00 32.53 H new ATOM 1516 N LYS A 95 11.209 -8.131 2.181 1.00 62.42 N ATOM 1517 CA LYS A 95 11.428 -8.786 0.897 1.00 63.14 C ATOM 1518 C LYS A 95 10.135 -9.396 0.368 1.00 14.53 C ATOM 1519 O LYS A 95 9.735 -9.140 -0.768 1.00 43.32 O ATOM 1520 CB LYS A 95 12.499 -9.872 1.031 1.00 35.11 C ATOM 1521 CG LYS A 95 13.589 -9.786 -0.023 1.00 14.13 C ATOM 1522 CD LYS A 95 14.481 -11.016 -0.005 1.00 13.20 C ATOM 1523 CE LYS A 95 15.541 -10.952 -1.093 1.00 2.22 C ATOM 1524 NZ LYS A 95 14.952 -11.102 -2.452 1.00 64.11 N ATOM 0 H LYS A 95 10.753 -8.717 2.880 1.00 62.42 H new ATOM 0 HA LYS A 95 11.769 -8.032 0.188 1.00 63.14 H new ATOM 0 HB2 LYS A 95 12.954 -9.801 2.019 1.00 35.11 H new ATOM 0 HB3 LYS A 95 12.022 -10.850 0.969 1.00 35.11 H new ATOM 0 HG2 LYS A 95 13.136 -9.679 -1.008 1.00 14.13 H new ATOM 0 HG3 LYS A 95 14.193 -8.895 0.149 1.00 14.13 H new ATOM 0 HD2 LYS A 95 14.963 -11.103 0.969 1.00 13.20 H new ATOM 0 HD3 LYS A 95 13.872 -11.910 -0.141 1.00 13.20 H new ATOM 0 HE2 LYS A 95 16.069 -10.001 -1.029 1.00 2.22 H new ATOM 0 HE3 LYS A 95 16.278 -11.738 -0.928 1.00 2.22 H new ATOM 0 HZ1 LYS A 95 15.715 -11.206 -3.151 1.00 64.11 H new ATOM 0 HZ2 LYS A 95 14.343 -11.945 -2.475 1.00 64.11 H new ATOM 0 HZ3 LYS A 95 14.386 -10.260 -2.680 1.00 64.11 H new ATOM 1538 N ASP A 96 9.482 -10.200 1.199 1.00 71.13 N ATOM 1539 CA ASP A 96 8.231 -10.844 0.816 1.00 31.02 C ATOM 1540 C ASP A 96 7.199 -10.734 1.934 1.00 55.15 C ATOM 1541 O ASP A 96 7.543 -10.491 3.090 1.00 33.04 O ATOM 1542 CB ASP A 96 8.473 -12.314 0.472 1.00 73.42 C ATOM 1543 CG ASP A 96 9.213 -13.051 1.571 1.00 71.33 C ATOM 1544 OD1 ASP A 96 8.565 -13.443 2.564 1.00 5.24 O ATOM 1545 OD2 ASP A 96 10.440 -13.238 1.437 1.00 61.13 O ATOM 0 H ASP A 96 9.798 -10.422 2.143 1.00 71.13 H new ATOM 0 HA ASP A 96 7.843 -10.332 -0.065 1.00 31.02 H new ATOM 0 HB2 ASP A 96 7.516 -12.804 0.290 1.00 73.42 H new ATOM 0 HB3 ASP A 96 9.045 -12.378 -0.454 1.00 73.42 H new ATOM 1550 N THR A 97 5.929 -10.912 1.579 1.00 2.40 N ATOM 1551 CA THR A 97 4.846 -10.830 2.552 1.00 51.23 C ATOM 1552 C THR A 97 5.180 -11.615 3.815 1.00 41.44 C ATOM 1553 O THR A 97 5.082 -11.092 4.925 1.00 42.12 O ATOM 1554 CB THR A 97 3.524 -11.361 1.966 1.00 62.23 C ATOM 1555 OG1 THR A 97 3.122 -10.555 0.852 1.00 24.34 O ATOM 1556 CG2 THR A 97 2.428 -11.363 3.019 1.00 35.31 C ATOM 0 H THR A 97 5.626 -11.114 0.626 1.00 2.40 H new ATOM 0 HA THR A 97 4.727 -9.776 2.804 1.00 51.23 H new ATOM 0 HB THR A 97 3.686 -12.386 1.632 1.00 62.23 H new ATOM 0 HG1 THR A 97 2.518 -9.848 1.161 1.00 24.34 H new ATOM 0 HG21 THR A 97 1.504 -11.742 2.582 1.00 35.31 H new ATOM 0 HG22 THR A 97 2.724 -12.001 3.851 1.00 35.31 H new ATOM 0 HG23 THR A 97 2.268 -10.347 3.380 1.00 35.31 H new ATOM 1564 N GLU A 98 5.577 -12.871 3.638 1.00 51.11 N ATOM 1565 CA GLU A 98 5.926 -13.727 4.766 1.00 73.40 C ATOM 1566 C GLU A 98 7.014 -13.084 5.621 1.00 11.51 C ATOM 1567 O GLU A 98 7.044 -13.255 6.839 1.00 61.50 O ATOM 1568 CB GLU A 98 6.394 -15.096 4.270 1.00 22.32 C ATOM 1569 CG GLU A 98 5.280 -16.127 4.183 1.00 1.33 C ATOM 1570 CD GLU A 98 5.705 -17.489 4.694 1.00 35.53 C ATOM 1571 OE1 GLU A 98 6.241 -17.561 5.819 1.00 23.02 O ATOM 1572 OE2 GLU A 98 5.500 -18.485 3.968 1.00 52.00 O ATOM 0 H GLU A 98 5.665 -13.318 2.725 1.00 51.11 H new ATOM 0 HA GLU A 98 5.035 -13.856 5.380 1.00 73.40 H new ATOM 0 HB2 GLU A 98 6.848 -14.980 3.286 1.00 22.32 H new ATOM 0 HB3 GLU A 98 7.171 -15.469 4.938 1.00 22.32 H new ATOM 0 HG2 GLU A 98 4.422 -15.779 4.758 1.00 1.33 H new ATOM 0 HG3 GLU A 98 4.954 -16.217 3.147 1.00 1.33 H new ATOM 1579 N GLY A 99 7.907 -12.343 4.972 1.00 40.12 N ATOM 1580 CA GLY A 99 8.985 -11.686 5.688 1.00 41.52 C ATOM 1581 C GLY A 99 8.523 -10.439 6.415 1.00 43.42 C ATOM 1582 O GLY A 99 8.966 -10.163 7.530 1.00 51.12 O ATOM 0 H GLY A 99 7.903 -12.186 3.964 1.00 40.12 H new ATOM 0 HA2 GLY A 99 9.417 -12.382 6.406 1.00 41.52 H new ATOM 0 HA3 GLY A 99 9.775 -11.421 4.985 1.00 41.52 H new ATOM 1586 N ALA A 100 7.631 -9.683 5.783 1.00 20.13 N ATOM 1587 CA ALA A 100 7.108 -8.459 6.379 1.00 43.13 C ATOM 1588 C ALA A 100 6.316 -8.760 7.646 1.00 3.23 C ATOM 1589 O ALA A 100 6.380 -8.012 8.623 1.00 71.14 O ATOM 1590 CB ALA A 100 6.240 -7.714 5.375 1.00 24.23 C ATOM 0 H ALA A 100 7.256 -9.896 4.859 1.00 20.13 H new ATOM 0 HA ALA A 100 7.953 -7.827 6.653 1.00 43.13 H new ATOM 0 HB1 ALA A 100 5.856 -6.802 5.832 1.00 24.23 H new ATOM 0 HB2 ALA A 100 6.836 -7.457 4.499 1.00 24.23 H new ATOM 0 HB3 ALA A 100 5.406 -8.348 5.074 1.00 24.23 H new ATOM 1596 N LYS A 101 5.570 -9.859 7.625 1.00 15.30 N ATOM 1597 CA LYS A 101 4.765 -10.259 8.773 1.00 31.24 C ATOM 1598 C LYS A 101 5.651 -10.753 9.912 1.00 35.31 C ATOM 1599 O LYS A 101 5.217 -10.819 11.063 1.00 60.11 O ATOM 1600 CB LYS A 101 3.775 -11.354 8.370 1.00 15.35 C ATOM 1601 CG LYS A 101 2.451 -11.280 9.112 1.00 44.21 C ATOM 1602 CD LYS A 101 2.355 -12.348 10.189 1.00 71.40 C ATOM 1603 CE LYS A 101 0.997 -12.327 10.875 1.00 44.04 C ATOM 1604 NZ LYS A 101 0.183 -13.524 10.529 1.00 35.31 N ATOM 0 H LYS A 101 5.506 -10.489 6.825 1.00 15.30 H new ATOM 0 HA LYS A 101 4.211 -9.387 9.120 1.00 31.24 H new ATOM 0 HB2 LYS A 101 3.586 -11.285 7.299 1.00 15.35 H new ATOM 0 HB3 LYS A 101 4.230 -12.328 8.551 1.00 15.35 H new ATOM 0 HG2 LYS A 101 2.341 -10.295 9.565 1.00 44.21 H new ATOM 0 HG3 LYS A 101 1.630 -11.400 8.405 1.00 44.21 H new ATOM 0 HD2 LYS A 101 2.525 -13.329 9.746 1.00 71.40 H new ATOM 0 HD3 LYS A 101 3.140 -12.192 10.929 1.00 71.40 H new ATOM 0 HE2 LYS A 101 1.136 -12.282 11.955 1.00 44.04 H new ATOM 0 HE3 LYS A 101 0.458 -11.425 10.586 1.00 44.04 H new ATOM 0 HZ1 LYS A 101 -0.528 -13.686 11.270 1.00 35.31 H new ATOM 0 HZ2 LYS A 101 -0.295 -13.368 9.619 1.00 35.31 H new ATOM 0 HZ3 LYS A 101 0.803 -14.356 10.456 1.00 35.31 H new ATOM 1618 N GLN A 102 6.890 -11.099 9.584 1.00 64.41 N ATOM 1619 CA GLN A 102 7.837 -11.587 10.581 1.00 33.35 C ATOM 1620 C GLN A 102 8.446 -10.430 11.365 1.00 25.12 C ATOM 1621 O GLN A 102 8.639 -10.521 12.578 1.00 73.52 O ATOM 1622 CB GLN A 102 8.942 -12.403 9.910 1.00 44.43 C ATOM 1623 CG GLN A 102 9.778 -13.215 10.886 1.00 0.31 C ATOM 1624 CD GLN A 102 11.260 -12.909 10.780 1.00 31.35 C ATOM 1625 OE1 GLN A 102 12.016 -13.657 10.159 1.00 14.13 O ATOM 1626 NE2 GLN A 102 11.682 -11.808 11.388 1.00 5.33 N ATOM 0 H GLN A 102 7.263 -11.051 8.636 1.00 64.41 H new ATOM 0 HA GLN A 102 7.295 -12.228 11.277 1.00 33.35 H new ATOM 0 HB2 GLN A 102 8.492 -13.077 9.181 1.00 44.43 H new ATOM 0 HB3 GLN A 102 9.596 -11.728 9.358 1.00 44.43 H new ATOM 0 HG2 GLN A 102 9.441 -13.013 11.903 1.00 0.31 H new ATOM 0 HG3 GLN A 102 9.616 -14.277 10.701 1.00 0.31 H new ATOM 0 HE21 GLN A 102 11.020 -11.218 11.891 1.00 5.33 H new ATOM 0 HE22 GLN A 102 12.669 -11.552 11.352 1.00 5.33 H new ATOM 1635 N ILE A 103 8.748 -9.341 10.665 1.00 63.40 N ATOM 1636 CA ILE A 103 9.337 -8.166 11.296 1.00 34.31 C ATOM 1637 C ILE A 103 8.311 -7.433 12.153 1.00 11.42 C ATOM 1638 O ILE A 103 8.618 -6.981 13.257 1.00 51.10 O ATOM 1639 CB ILE A 103 9.905 -7.190 10.249 1.00 21.32 C ATOM 1640 CG1 ILE A 103 11.008 -7.869 9.434 1.00 31.10 C ATOM 1641 CG2 ILE A 103 10.436 -5.936 10.927 1.00 33.15 C ATOM 1642 CD1 ILE A 103 11.517 -7.025 8.286 1.00 64.41 C ATOM 0 H ILE A 103 8.594 -9.248 9.661 1.00 63.40 H new ATOM 0 HA ILE A 103 10.151 -8.521 11.929 1.00 34.31 H new ATOM 0 HB ILE A 103 9.103 -6.900 9.570 1.00 21.32 H new ATOM 0 HG12 ILE A 103 11.841 -8.110 10.095 1.00 31.10 H new ATOM 0 HG13 ILE A 103 10.630 -8.813 9.041 1.00 31.10 H new ATOM 0 HG21 ILE A 103 10.834 -5.256 10.174 1.00 33.15 H new ATOM 0 HG22 ILE A 103 9.627 -5.445 11.468 1.00 33.15 H new ATOM 0 HG23 ILE A 103 11.228 -6.207 11.625 1.00 33.15 H new ATOM 0 HD11 ILE A 103 12.297 -7.569 7.752 1.00 64.41 H new ATOM 0 HD12 ILE A 103 10.696 -6.806 7.604 1.00 64.41 H new ATOM 0 HD13 ILE A 103 11.926 -6.092 8.674 1.00 64.41 H new ATOM 1654 N VAL A 104 7.090 -7.319 11.640 1.00 61.34 N ATOM 1655 CA VAL A 104 6.017 -6.643 12.360 1.00 62.41 C ATOM 1656 C VAL A 104 5.611 -7.426 13.603 1.00 23.13 C ATOM 1657 O VAL A 104 5.478 -6.861 14.689 1.00 62.11 O ATOM 1658 CB VAL A 104 4.779 -6.443 11.465 1.00 63.31 C ATOM 1659 CG1 VAL A 104 3.643 -5.817 12.258 1.00 3.03 C ATOM 1660 CG2 VAL A 104 5.129 -5.592 10.255 1.00 63.24 C ATOM 0 H VAL A 104 6.819 -7.686 10.728 1.00 61.34 H new ATOM 0 HA VAL A 104 6.402 -5.668 12.658 1.00 62.41 H new ATOM 0 HB VAL A 104 4.447 -7.419 11.110 1.00 63.31 H new ATOM 0 HG11 VAL A 104 2.777 -5.683 11.610 1.00 3.03 H new ATOM 0 HG12 VAL A 104 3.377 -6.470 13.089 1.00 3.03 H new ATOM 0 HG13 VAL A 104 3.960 -4.848 12.645 1.00 3.03 H new ATOM 0 HG21 VAL A 104 4.243 -5.461 9.634 1.00 63.24 H new ATOM 0 HG22 VAL A 104 5.487 -4.617 10.587 1.00 63.24 H new ATOM 0 HG23 VAL A 104 5.908 -6.087 9.675 1.00 63.24 H new ATOM 1670 N ARG A 105 5.418 -8.730 13.437 1.00 30.21 N ATOM 1671 CA ARG A 105 5.026 -9.591 14.546 1.00 33.43 C ATOM 1672 C ARG A 105 6.010 -9.466 15.706 1.00 63.32 C ATOM 1673 O ARG A 105 5.618 -9.178 16.838 1.00 42.13 O ATOM 1674 CB ARG A 105 4.947 -11.048 14.086 1.00 45.32 C ATOM 1675 CG ARG A 105 4.315 -11.977 15.109 1.00 0.01 C ATOM 1676 CD ARG A 105 3.004 -12.556 14.601 1.00 63.45 C ATOM 1677 NE ARG A 105 2.440 -13.532 15.529 1.00 62.50 N ATOM 1678 CZ ARG A 105 1.167 -13.910 15.514 1.00 61.33 C ATOM 1679 NH1 ARG A 105 0.330 -13.397 14.622 1.00 22.33 N ATOM 1680 NH2 ARG A 105 0.728 -14.805 16.391 1.00 11.54 N ATOM 0 H ARG A 105 5.527 -9.213 12.545 1.00 30.21 H new ATOM 0 HA ARG A 105 4.042 -9.272 14.890 1.00 33.43 H new ATOM 0 HB2 ARG A 105 4.374 -11.097 13.160 1.00 45.32 H new ATOM 0 HB3 ARG A 105 5.952 -11.403 13.858 1.00 45.32 H new ATOM 0 HG2 ARG A 105 5.006 -12.787 15.342 1.00 0.01 H new ATOM 0 HG3 ARG A 105 4.138 -11.432 16.036 1.00 0.01 H new ATOM 0 HD2 ARG A 105 2.288 -11.749 14.444 1.00 63.45 H new ATOM 0 HD3 ARG A 105 3.168 -13.029 13.633 1.00 63.45 H new ATOM 0 HE ARG A 105 3.058 -13.946 16.227 1.00 62.50 H new ATOM 0 HH11 ARG A 105 0.664 -12.710 13.945 1.00 22.33 H new ATOM 0 HH12 ARG A 105 -0.647 -13.689 14.613 1.00 22.33 H new ATOM 0 HH21 ARG A 105 1.369 -15.203 17.077 1.00 11.54 H new ATOM 0 HH22 ARG A 105 -0.250 -15.094 16.378 1.00 11.54 H new ATOM 1694 N ARG A 106 7.288 -9.684 15.417 1.00 65.04 N ATOM 1695 CA ARG A 106 8.328 -9.597 16.435 1.00 64.12 C ATOM 1696 C ARG A 106 8.259 -8.261 17.169 1.00 4.35 C ATOM 1697 O ARG A 106 8.498 -8.191 18.375 1.00 62.02 O ATOM 1698 CB ARG A 106 9.709 -9.772 15.800 1.00 1.12 C ATOM 1699 CG ARG A 106 10.554 -10.845 16.467 1.00 73.33 C ATOM 1700 CD ARG A 106 10.192 -12.233 15.960 1.00 70.02 C ATOM 1701 NE ARG A 106 9.955 -13.170 17.055 1.00 70.44 N ATOM 1702 CZ ARG A 106 9.844 -14.483 16.886 1.00 35.40 C ATOM 1703 NH1 ARG A 106 9.947 -15.011 15.674 1.00 41.24 N ATOM 1704 NH2 ARG A 106 9.628 -15.271 17.932 1.00 52.12 N ATOM 0 H ARG A 106 7.629 -9.922 14.486 1.00 65.04 H new ATOM 0 HA ARG A 106 8.164 -10.397 17.156 1.00 64.12 H new ATOM 0 HB2 ARG A 106 9.586 -10.021 14.746 1.00 1.12 H new ATOM 0 HB3 ARG A 106 10.242 -8.822 15.843 1.00 1.12 H new ATOM 0 HG2 ARG A 106 11.609 -10.650 16.276 1.00 73.33 H new ATOM 0 HG3 ARG A 106 10.413 -10.802 17.547 1.00 73.33 H new ATOM 0 HD2 ARG A 106 9.300 -12.170 15.337 1.00 70.02 H new ATOM 0 HD3 ARG A 106 10.996 -12.610 15.328 1.00 70.02 H new ATOM 0 HE ARG A 106 9.870 -12.796 18.000 1.00 70.44 H new ATOM 0 HH11 ARG A 106 10.112 -14.409 14.868 1.00 41.24 H new ATOM 0 HH12 ARG A 106 9.861 -16.020 15.548 1.00 41.24 H new ATOM 0 HH21 ARG A 106 9.547 -14.868 18.866 1.00 52.12 H new ATOM 0 HH22 ARG A 106 9.543 -16.279 17.802 1.00 52.12 H new ATOM 1718 N HIS A 107 7.933 -7.203 16.434 1.00 72.44 N ATOM 1719 CA HIS A 107 7.832 -5.869 17.014 1.00 22.04 C ATOM 1720 C HIS A 107 6.658 -5.787 17.986 1.00 71.24 C ATOM 1721 O HIS A 107 6.717 -4.937 18.875 1.00 55.33 O ATOM 1722 CB HIS A 107 7.670 -4.820 15.913 1.00 23.55 C ATOM 1723 CG HIS A 107 8.954 -4.478 15.220 1.00 3.02 C ATOM 1724 ND1 HIS A 107 10.191 -4.619 15.813 1.00 22.41 N ATOM 1725 CD2 HIS A 107 9.188 -3.998 13.977 1.00 61.02 C ATOM 1726 CE1 HIS A 107 11.129 -4.241 14.965 1.00 0.41 C ATOM 1727 NE2 HIS A 107 10.547 -3.860 13.842 1.00 1.03 N ATOM 0 H HIS A 107 7.734 -7.244 15.434 1.00 72.44 H new ATOM 0 HA HIS A 107 8.752 -5.669 17.563 1.00 22.04 H new ATOM 0 HB2 HIS A 107 6.955 -5.186 15.176 1.00 23.55 H new ATOM 0 HB3 HIS A 107 7.247 -3.913 16.345 1.00 23.55 H new ATOM 0 HD2 HIS A 107 8.444 -3.766 13.230 1.00 61.02 H new ATOM 0 HE1 HIS A 107 12.192 -4.243 15.157 1.00 0.41 H new ATOM 0 HE2 HIS A 107 11.029 -3.519 13.010 1.00 1.03 H new ATOM 1735 N LEU A 108 5.630 -6.617 17.846 1.00 24.00 N ATOM 1736 CA LEU A 108 4.485 -6.578 18.750 1.00 43.43 C ATOM 1737 C LEU A 108 4.627 -7.620 19.854 1.00 2.33 C ATOM 1738 O LEU A 108 4.160 -7.419 20.975 1.00 33.33 O ATOM 1739 CB LEU A 108 3.189 -6.812 17.973 1.00 11.31 C ATOM 1740 CG LEU A 108 2.866 -5.791 16.882 1.00 42.40 C ATOM 1741 CD1 LEU A 108 2.046 -6.435 15.775 1.00 64.25 C ATOM 1742 CD2 LEU A 108 2.127 -4.598 17.470 1.00 4.30 C ATOM 0 H LEU A 108 5.566 -7.325 17.115 1.00 24.00 H new ATOM 0 HA LEU A 108 4.451 -5.591 19.211 1.00 43.43 H new ATOM 0 HB2 LEU A 108 3.237 -7.800 17.515 1.00 11.31 H new ATOM 0 HB3 LEU A 108 2.362 -6.829 18.683 1.00 11.31 H new ATOM 0 HG LEU A 108 3.803 -5.437 16.453 1.00 42.40 H new ATOM 0 HD11 LEU A 108 1.825 -5.693 15.007 1.00 64.25 H new ATOM 0 HD12 LEU A 108 2.611 -7.256 15.334 1.00 64.25 H new ATOM 0 HD13 LEU A 108 1.113 -6.817 16.189 1.00 64.25 H new ATOM 0 HD21 LEU A 108 1.905 -3.881 16.679 1.00 4.30 H new ATOM 0 HD22 LEU A 108 1.196 -4.935 17.926 1.00 4.30 H new ATOM 0 HD23 LEU A 108 2.750 -4.121 18.227 1.00 4.30 H new