USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=15 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 80 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Set 1.2: A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= 0.396 USER MOD Set 2.2: A 97 THR OG1 : rot -89:sc= -0.35 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+ -139:sc= 1.11 (180deg=0.183) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-10!) USER MOD Single : A 39 ASN : amide:sc= 0.491 X(o=0.49,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0211) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.599 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= 0.222 (180deg=0.129) USER MOD Single : A 57 CYS SG : rot -110:sc= -0.756 USER MOD Single : A 58 GLN : amide:sc= -0.175 K(o=-0.17,f=-3.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.444 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.000728 K(o=-0.00073,f=-1.4) 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 75:sc= 0.0714 USER MOD Single : A 83 CYS SG : rot 73:sc= 0.136 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.214 USER MOD Single : A 89 HIS : no HD1:sc= 0.135 K(o=0.14,f=-0.57) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc=-0.00854 X(o=-0.0085,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.0632 K(o=0.063,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 4.420 7.410 -4.461 1.00 2.23 N ATOM 103 CA ARG A 9 5.497 8.213 -5.027 1.00 53.32 C ATOM 104 C ARG A 9 6.219 7.452 -6.135 1.00 61.35 C ATOM 105 O ARG A 9 5.803 6.362 -6.526 1.00 74.24 O ATOM 106 CB ARG A 9 6.492 8.613 -3.937 1.00 3.34 C ATOM 107 CG ARG A 9 6.969 10.052 -4.046 1.00 3.14 C ATOM 108 CD ARG A 9 6.192 10.969 -3.114 1.00 1.42 C ATOM 109 NE ARG A 9 7.075 11.729 -2.233 1.00 2.22 N ATOM 110 CZ ARG A 9 6.658 12.354 -1.136 1.00 61.24 C ATOM 111 NH1 ARG A 9 5.380 12.307 -0.788 1.00 14.52 N ATOM 112 NH2 ARG A 9 7.522 13.025 -0.386 1.00 31.03 N ATOM 0 HA ARG A 9 5.057 9.113 -5.455 1.00 53.32 H new ATOM 0 HB2 ARG A 9 6.028 8.466 -2.962 1.00 3.34 H new ATOM 0 HB3 ARG A 9 7.355 7.949 -3.983 1.00 3.34 H new ATOM 0 HG2 ARG A 9 8.031 10.103 -3.807 1.00 3.14 H new ATOM 0 HG3 ARG A 9 6.857 10.397 -5.074 1.00 3.14 H new ATOM 0 HD2 ARG A 9 5.588 11.658 -3.704 1.00 1.42 H new ATOM 0 HD3 ARG A 9 5.503 10.376 -2.513 1.00 1.42 H new ATOM 0 HE ARG A 9 8.065 11.783 -2.472 1.00 2.22 H new ATOM 0 HH11 ARG A 9 4.714 11.790 -1.362 1.00 14.52 H new ATOM 0 HH12 ARG A 9 5.063 12.787 0.054 1.00 14.52 H new ATOM 0 HH21 ARG A 9 8.506 13.062 -0.651 1.00 31.03 H new ATOM 0 HH22 ARG A 9 7.202 13.504 0.456 1.00 31.03 H new ATOM 126 N GLY A 10 7.304 8.034 -6.637 1.00 4.13 N ATOM 127 CA GLY A 10 8.066 7.397 -7.694 1.00 64.43 C ATOM 128 C GLY A 10 9.095 6.420 -7.160 1.00 32.42 C ATOM 129 O GLY A 10 9.120 5.254 -7.556 1.00 31.30 O ATOM 0 H GLY A 10 7.669 8.936 -6.330 1.00 4.13 H new ATOM 0 HA2 GLY A 10 7.384 6.872 -8.363 1.00 64.43 H new ATOM 0 HA3 GLY A 10 8.569 8.161 -8.286 1.00 64.43 H new ATOM 133 N LYS A 11 9.948 6.895 -6.259 1.00 35.12 N ATOM 134 CA LYS A 11 10.985 6.058 -5.669 1.00 73.34 C ATOM 135 C LYS A 11 10.397 5.128 -4.611 1.00 51.23 C ATOM 136 O LYS A 11 10.893 4.021 -4.398 1.00 55.41 O ATOM 137 CB LYS A 11 12.080 6.927 -5.048 1.00 30.23 C ATOM 138 CG LYS A 11 13.484 6.398 -5.284 1.00 0.22 C ATOM 139 CD LYS A 11 14.502 7.524 -5.337 1.00 42.32 C ATOM 140 CE LYS A 11 15.166 7.612 -6.703 1.00 72.45 C ATOM 141 NZ LYS A 11 15.666 8.984 -6.991 1.00 13.45 N ATOM 0 H LYS A 11 9.941 7.857 -5.921 1.00 35.12 H new ATOM 0 HA LYS A 11 11.420 5.449 -6.462 1.00 73.34 H new ATOM 0 HB2 LYS A 11 12.007 7.935 -5.456 1.00 30.23 H new ATOM 0 HB3 LYS A 11 11.906 7.004 -3.975 1.00 30.23 H new ATOM 0 HG2 LYS A 11 13.750 5.703 -4.488 1.00 0.22 H new ATOM 0 HG3 LYS A 11 13.511 5.838 -6.219 1.00 0.22 H new ATOM 0 HD2 LYS A 11 14.012 8.470 -5.108 1.00 42.32 H new ATOM 0 HD3 LYS A 11 15.262 7.365 -4.572 1.00 42.32 H new ATOM 0 HE2 LYS A 11 15.996 6.906 -6.749 1.00 72.45 H new ATOM 0 HE3 LYS A 11 14.453 7.317 -7.473 1.00 72.45 H new ATOM 0 HZ1 LYS A 11 16.111 9.001 -7.931 1.00 13.45 H new ATOM 0 HZ2 LYS A 11 14.871 9.654 -6.972 1.00 13.45 H new ATOM 0 HZ3 LYS A 11 16.366 9.257 -6.271 1.00 13.45 H new ATOM 155 N LYS A 12 9.337 5.585 -3.953 1.00 73.23 N ATOM 156 CA LYS A 12 8.679 4.794 -2.919 1.00 40.22 C ATOM 157 C LYS A 12 7.889 3.644 -3.535 1.00 30.34 C ATOM 158 O LYS A 12 7.889 2.529 -3.013 1.00 2.02 O ATOM 159 CB LYS A 12 7.749 5.678 -2.087 1.00 55.21 C ATOM 160 CG LYS A 12 8.452 6.403 -0.952 1.00 11.22 C ATOM 161 CD LYS A 12 7.542 7.428 -0.297 1.00 34.15 C ATOM 162 CE LYS A 12 8.206 8.073 0.911 1.00 61.41 C ATOM 163 NZ LYS A 12 7.385 9.181 1.470 1.00 12.14 N ATOM 0 H LYS A 12 8.915 6.499 -4.117 1.00 73.23 H new ATOM 0 HA LYS A 12 9.449 4.376 -2.270 1.00 40.22 H new ATOM 0 HB2 LYS A 12 7.279 6.413 -2.741 1.00 55.21 H new ATOM 0 HB3 LYS A 12 6.950 5.062 -1.674 1.00 55.21 H new ATOM 0 HG2 LYS A 12 8.783 5.680 -0.207 1.00 11.22 H new ATOM 0 HG3 LYS A 12 9.345 6.899 -1.333 1.00 11.22 H new ATOM 0 HD2 LYS A 12 7.278 8.198 -1.022 1.00 34.15 H new ATOM 0 HD3 LYS A 12 6.613 6.948 0.010 1.00 34.15 H new ATOM 0 HE2 LYS A 12 8.370 7.319 1.681 1.00 61.41 H new ATOM 0 HE3 LYS A 12 9.186 8.456 0.625 1.00 61.41 H new ATOM 0 HZ1 LYS A 12 7.872 9.594 2.291 1.00 12.14 H new ATOM 0 HZ2 LYS A 12 7.249 9.913 0.744 1.00 12.14 H new ATOM 0 HZ3 LYS A 12 6.459 8.812 1.766 1.00 12.14 H new ATOM 177 N ALA A 13 7.218 3.922 -4.647 1.00 74.42 N ATOM 178 CA ALA A 13 6.426 2.909 -5.335 1.00 24.21 C ATOM 179 C ALA A 13 7.246 1.646 -5.581 1.00 14.03 C ATOM 180 O ALA A 13 6.743 0.531 -5.436 1.00 44.14 O ATOM 181 CB ALA A 13 5.893 3.458 -6.650 1.00 14.22 C ATOM 0 H ALA A 13 7.207 4.840 -5.091 1.00 74.42 H new ATOM 0 HA ALA A 13 5.583 2.646 -4.696 1.00 24.21 H new ATOM 0 HB1 ALA A 13 5.304 2.691 -7.152 1.00 14.22 H new ATOM 0 HB2 ALA A 13 5.265 4.327 -6.454 1.00 14.22 H new ATOM 0 HB3 ALA A 13 6.728 3.750 -7.287 1.00 14.22 H new ATOM 187 N ASP A 14 8.508 1.828 -5.954 1.00 15.51 N ATOM 188 CA ASP A 14 9.396 0.703 -6.220 1.00 31.12 C ATOM 189 C ASP A 14 9.467 -0.230 -5.015 1.00 23.04 C ATOM 190 O ASP A 14 9.151 -1.415 -5.117 1.00 3.24 O ATOM 191 CB ASP A 14 10.797 1.205 -6.576 1.00 31.43 C ATOM 192 CG ASP A 14 11.514 0.282 -7.541 1.00 55.22 C ATOM 193 OD1 ASP A 14 10.966 0.025 -8.634 1.00 41.33 O ATOM 194 OD2 ASP A 14 12.623 -0.182 -7.204 1.00 44.34 O ATOM 0 H ASP A 14 8.939 2.744 -6.079 1.00 15.51 H new ATOM 0 HA ASP A 14 8.993 0.145 -7.065 1.00 31.12 H new ATOM 0 HB2 ASP A 14 10.723 2.199 -7.016 1.00 31.43 H new ATOM 0 HB3 ASP A 14 11.387 1.303 -5.665 1.00 31.43 H new ATOM 199 N GLU A 15 9.886 0.314 -3.876 1.00 41.15 N ATOM 200 CA GLU A 15 10.001 -0.471 -2.652 1.00 71.23 C ATOM 201 C GLU A 15 8.725 -1.269 -2.397 1.00 1.11 C ATOM 202 O GLU A 15 8.766 -2.360 -1.828 1.00 74.41 O ATOM 203 CB GLU A 15 10.292 0.442 -1.460 1.00 40.22 C ATOM 204 CG GLU A 15 11.772 0.715 -1.250 1.00 63.31 C ATOM 205 CD GLU A 15 12.329 1.711 -2.249 1.00 53.33 C ATOM 206 OE1 GLU A 15 11.894 2.881 -2.226 1.00 10.13 O ATOM 207 OE2 GLU A 15 13.200 1.319 -3.053 1.00 54.55 O ATOM 0 H GLU A 15 10.151 1.294 -3.776 1.00 41.15 H new ATOM 0 HA GLU A 15 10.828 -1.170 -2.775 1.00 71.23 H new ATOM 0 HB2 GLU A 15 9.773 1.390 -1.604 1.00 40.22 H new ATOM 0 HB3 GLU A 15 9.883 -0.012 -0.557 1.00 40.22 H new ATOM 0 HG2 GLU A 15 11.928 1.093 -0.240 1.00 63.31 H new ATOM 0 HG3 GLU A 15 12.325 -0.221 -1.329 1.00 63.31 H new ATOM 214 N LEU A 16 7.594 -0.716 -2.819 1.00 41.34 N ATOM 215 CA LEU A 16 6.305 -1.374 -2.636 1.00 53.40 C ATOM 216 C LEU A 16 6.131 -2.517 -3.631 1.00 41.04 C ATOM 217 O LEU A 16 5.807 -3.641 -3.249 1.00 4.04 O ATOM 218 CB LEU A 16 5.167 -0.365 -2.799 1.00 31.04 C ATOM 219 CG LEU A 16 3.773 -0.855 -2.403 1.00 21.43 C ATOM 220 CD1 LEU A 16 3.189 -1.740 -3.493 1.00 2.14 C ATOM 221 CD2 LEU A 16 3.828 -1.603 -1.078 1.00 1.53 C ATOM 0 H LEU A 16 7.543 0.187 -3.291 1.00 41.34 H new ATOM 0 HA LEU A 16 6.276 -1.786 -1.627 1.00 53.40 H new ATOM 0 HB2 LEU A 16 5.403 0.517 -2.204 1.00 31.04 H new ATOM 0 HB3 LEU A 16 5.136 -0.048 -3.841 1.00 31.04 H new ATOM 0 HG LEU A 16 3.124 0.012 -2.282 1.00 21.43 H new ATOM 0 HD11 LEU A 16 2.197 -2.079 -3.194 1.00 2.14 H new ATOM 0 HD12 LEU A 16 3.114 -1.173 -4.421 1.00 2.14 H new ATOM 0 HD13 LEU A 16 3.837 -2.603 -3.647 1.00 2.14 H new ATOM 0 HD21 LEU A 16 2.828 -1.945 -0.811 1.00 1.53 H new ATOM 0 HD22 LEU A 16 4.492 -2.462 -1.173 1.00 1.53 H new ATOM 0 HD23 LEU A 16 4.204 -0.938 -0.300 1.00 1.53 H new ATOM 233 N GLU A 17 6.351 -2.222 -4.908 1.00 51.25 N ATOM 234 CA GLU A 17 6.219 -3.226 -5.957 1.00 61.51 C ATOM 235 C GLU A 17 7.327 -4.271 -5.853 1.00 24.31 C ATOM 236 O GLU A 17 7.276 -5.313 -6.506 1.00 23.55 O ATOM 237 CB GLU A 17 6.257 -2.564 -7.336 1.00 42.22 C ATOM 238 CG GLU A 17 5.005 -1.768 -7.663 1.00 72.13 C ATOM 239 CD GLU A 17 5.168 -0.906 -8.900 1.00 34.50 C ATOM 240 OE1 GLU A 17 6.321 -0.708 -9.336 1.00 70.12 O ATOM 241 OE2 GLU A 17 4.143 -0.431 -9.432 1.00 11.21 O ATOM 0 H GLU A 17 6.621 -1.297 -5.241 1.00 51.25 H new ATOM 0 HA GLU A 17 5.258 -3.725 -5.827 1.00 61.51 H new ATOM 0 HB2 GLU A 17 7.122 -1.903 -7.389 1.00 42.22 H new ATOM 0 HB3 GLU A 17 6.397 -3.333 -8.095 1.00 42.22 H new ATOM 0 HG2 GLU A 17 4.171 -2.454 -7.810 1.00 72.13 H new ATOM 0 HG3 GLU A 17 4.750 -1.134 -6.814 1.00 72.13 H new ATOM 248 N ARG A 18 8.327 -3.983 -5.027 1.00 1.52 N ATOM 249 CA ARG A 18 9.448 -4.895 -4.837 1.00 25.03 C ATOM 250 C ARG A 18 9.052 -6.065 -3.941 1.00 25.30 C ATOM 251 O ARG A 18 9.454 -7.204 -4.179 1.00 20.44 O ATOM 252 CB ARG A 18 10.640 -4.153 -4.228 1.00 2.14 C ATOM 253 CG ARG A 18 11.741 -3.843 -5.229 1.00 23.14 C ATOM 254 CD ARG A 18 13.079 -4.408 -4.778 1.00 11.05 C ATOM 255 NE ARG A 18 13.969 -4.674 -5.905 1.00 14.11 N ATOM 256 CZ ARG A 18 14.645 -3.728 -6.547 1.00 70.32 C ATOM 257 NH1 ARG A 18 14.533 -2.461 -6.175 1.00 54.11 N ATOM 258 NH2 ARG A 18 15.434 -4.050 -7.564 1.00 2.53 N ATOM 0 H ARG A 18 8.384 -3.125 -4.478 1.00 1.52 H new ATOM 0 HA ARG A 18 9.733 -5.288 -5.813 1.00 25.03 H new ATOM 0 HB2 ARG A 18 10.289 -3.220 -3.786 1.00 2.14 H new ATOM 0 HB3 ARG A 18 11.055 -4.753 -3.418 1.00 2.14 H new ATOM 0 HG2 ARG A 18 11.478 -4.260 -6.201 1.00 23.14 H new ATOM 0 HG3 ARG A 18 11.825 -2.764 -5.357 1.00 23.14 H new ATOM 0 HD2 ARG A 18 13.558 -3.705 -4.096 1.00 11.05 H new ATOM 0 HD3 ARG A 18 12.914 -5.330 -4.221 1.00 11.05 H new ATOM 0 HE ARG A 18 14.077 -5.639 -6.216 1.00 14.11 H new ATOM 0 HH11 ARG A 18 13.927 -2.210 -5.394 1.00 54.11 H new ATOM 0 HH12 ARG A 18 15.053 -1.736 -6.670 1.00 54.11 H new ATOM 0 HH21 ARG A 18 15.522 -5.024 -7.853 1.00 2.53 H new ATOM 0 HH22 ARG A 18 15.953 -3.323 -8.057 1.00 2.53 H new ATOM 272 N ILE A 19 8.263 -5.775 -2.913 1.00 14.53 N ATOM 273 CA ILE A 19 7.812 -6.802 -1.982 1.00 23.10 C ATOM 274 C ILE A 19 6.901 -7.810 -2.676 1.00 63.41 C ATOM 275 O ILE A 19 5.930 -7.435 -3.332 1.00 64.21 O ATOM 276 CB ILE A 19 7.062 -6.189 -0.785 1.00 3.13 C ATOM 277 CG1 ILE A 19 7.974 -5.221 -0.027 1.00 60.14 C ATOM 278 CG2 ILE A 19 6.557 -7.285 0.142 1.00 40.33 C ATOM 279 CD1 ILE A 19 7.248 -4.012 0.520 1.00 22.04 C ATOM 0 H ILE A 19 7.922 -4.837 -2.703 1.00 14.53 H new ATOM 0 HA ILE A 19 8.704 -7.311 -1.618 1.00 23.10 H new ATOM 0 HB ILE A 19 6.203 -5.633 -1.159 1.00 3.13 H new ATOM 0 HG12 ILE A 19 8.450 -5.753 0.797 1.00 60.14 H new ATOM 0 HG13 ILE A 19 8.770 -4.887 -0.693 1.00 60.14 H new ATOM 0 HG21 ILE A 19 6.029 -6.836 0.983 1.00 40.33 H new ATOM 0 HG22 ILE A 19 5.878 -7.940 -0.405 1.00 40.33 H new ATOM 0 HG23 ILE A 19 7.402 -7.866 0.512 1.00 40.33 H new ATOM 0 HD11 ILE A 19 7.955 -3.370 1.045 1.00 22.04 H new ATOM 0 HD12 ILE A 19 6.795 -3.457 -0.302 1.00 22.04 H new ATOM 0 HD13 ILE A 19 6.470 -4.337 1.211 1.00 22.04 H new ATOM 291 N ARG A 20 7.221 -9.091 -2.524 1.00 64.12 N ATOM 292 CA ARG A 20 6.432 -10.153 -3.135 1.00 32.42 C ATOM 293 C ARG A 20 5.309 -10.601 -2.203 1.00 2.32 C ATOM 294 O ARG A 20 5.513 -10.756 -0.998 1.00 14.22 O ATOM 295 CB ARG A 20 7.325 -11.345 -3.484 1.00 32.43 C ATOM 296 CG ARG A 20 8.388 -11.026 -4.522 1.00 63.33 C ATOM 297 CD ARG A 20 9.636 -11.872 -4.319 1.00 71.13 C ATOM 298 NE ARG A 20 9.452 -13.241 -4.795 1.00 32.54 N ATOM 299 CZ ARG A 20 10.449 -14.103 -4.958 1.00 50.13 C ATOM 300 NH1 ARG A 20 11.695 -13.739 -4.688 1.00 71.30 N ATOM 301 NH2 ARG A 20 10.201 -15.331 -5.394 1.00 73.32 N ATOM 0 H ARG A 20 8.021 -9.418 -1.983 1.00 64.12 H new ATOM 0 HA ARG A 20 5.988 -9.761 -4.050 1.00 32.42 H new ATOM 0 HB2 ARG A 20 7.811 -11.702 -2.576 1.00 32.43 H new ATOM 0 HB3 ARG A 20 6.702 -12.159 -3.853 1.00 32.43 H new ATOM 0 HG2 ARG A 20 7.987 -11.200 -5.520 1.00 63.33 H new ATOM 0 HG3 ARG A 20 8.650 -9.969 -4.464 1.00 63.33 H new ATOM 0 HD2 ARG A 20 10.474 -11.415 -4.845 1.00 71.13 H new ATOM 0 HD3 ARG A 20 9.895 -11.888 -3.260 1.00 71.13 H new ATOM 0 HE ARG A 20 8.506 -13.552 -5.014 1.00 32.54 H new ATOM 0 HH11 ARG A 20 11.890 -12.795 -4.354 1.00 71.30 H new ATOM 0 HH12 ARG A 20 12.459 -14.403 -4.814 1.00 71.30 H new ATOM 0 HH21 ARG A 20 9.244 -15.614 -5.604 1.00 73.32 H new ATOM 0 HH22 ARG A 20 10.967 -15.992 -5.519 1.00 73.32 H new ATOM 315 N LEU A 21 4.125 -10.806 -2.769 1.00 25.53 N ATOM 316 CA LEU A 21 2.970 -11.236 -1.989 1.00 33.11 C ATOM 317 C LEU A 21 3.264 -12.537 -1.250 1.00 32.34 C ATOM 318 O LEU A 21 2.768 -12.762 -0.145 1.00 42.51 O ATOM 319 CB LEU A 21 1.754 -11.418 -2.900 1.00 11.33 C ATOM 320 CG LEU A 21 1.056 -10.135 -3.352 1.00 0.53 C ATOM 321 CD1 LEU A 21 0.117 -10.418 -4.513 1.00 12.13 C ATOM 322 CD2 LEU A 21 0.299 -9.503 -2.192 1.00 52.44 C ATOM 0 H LEU A 21 3.940 -10.682 -3.764 1.00 25.53 H new ATOM 0 HA LEU A 21 2.753 -10.463 -1.252 1.00 33.11 H new ATOM 0 HB2 LEU A 21 2.069 -11.968 -3.787 1.00 11.33 H new ATOM 0 HB3 LEU A 21 1.026 -12.040 -2.380 1.00 11.33 H new ATOM 0 HG LEU A 21 1.816 -9.431 -3.691 1.00 0.53 H new ATOM 0 HD11 LEU A 21 -0.370 -9.493 -4.821 1.00 12.13 H new ATOM 0 HD12 LEU A 21 0.685 -10.824 -5.350 1.00 12.13 H new ATOM 0 HD13 LEU A 21 -0.638 -11.140 -4.202 1.00 12.13 H new ATOM 0 HD21 LEU A 21 -0.192 -8.591 -2.532 1.00 52.44 H new ATOM 0 HD22 LEU A 21 -0.451 -10.203 -1.823 1.00 52.44 H new ATOM 0 HD23 LEU A 21 0.997 -9.262 -1.390 1.00 52.44 H new ATOM 334 N ARG A 22 4.076 -13.391 -1.865 1.00 44.24 N ATOM 335 CA ARG A 22 4.438 -14.669 -1.265 1.00 31.21 C ATOM 336 C ARG A 22 5.953 -14.853 -1.250 1.00 50.11 C ATOM 337 O ARG A 22 6.689 -14.206 -1.994 1.00 41.34 O ATOM 338 CB ARG A 22 3.781 -15.819 -2.030 1.00 32.42 C ATOM 339 CG ARG A 22 2.389 -16.168 -1.528 1.00 41.23 C ATOM 340 CD ARG A 22 1.311 -15.600 -2.439 1.00 64.21 C ATOM 341 NE ARG A 22 0.129 -16.458 -2.489 1.00 3.30 N ATOM 342 CZ ARG A 22 -0.709 -16.612 -1.471 1.00 11.11 C ATOM 343 NH1 ARG A 22 -0.498 -15.970 -0.330 1.00 73.12 N ATOM 344 NH2 ARG A 22 -1.763 -17.410 -1.594 1.00 33.30 N ATOM 0 H ARG A 22 4.496 -13.220 -2.779 1.00 44.24 H new ATOM 0 HA ARG A 22 4.079 -14.674 -0.236 1.00 31.21 H new ATOM 0 HB2 ARG A 22 3.722 -15.555 -3.086 1.00 32.42 H new ATOM 0 HB3 ARG A 22 4.416 -16.702 -1.958 1.00 32.42 H new ATOM 0 HG2 ARG A 22 2.283 -17.251 -1.468 1.00 41.23 H new ATOM 0 HG3 ARG A 22 2.257 -15.779 -0.519 1.00 41.23 H new ATOM 0 HD2 ARG A 22 1.025 -14.609 -2.088 1.00 64.21 H new ATOM 0 HD3 ARG A 22 1.713 -15.478 -3.445 1.00 64.21 H new ATOM 0 HE ARG A 22 -0.062 -16.966 -3.353 1.00 3.30 H new ATOM 0 HH11 ARG A 22 0.310 -15.355 -0.233 1.00 73.12 H new ATOM 0 HH12 ARG A 22 -1.144 -16.091 0.450 1.00 73.12 H new ATOM 0 HH21 ARG A 22 -1.929 -17.905 -2.471 1.00 33.30 H new ATOM 0 HH22 ARG A 22 -2.407 -17.528 -0.812 1.00 33.30 H new ATOM 358 N PRO A 23 6.430 -15.757 -0.381 1.00 52.43 N ATOM 359 CA PRO A 23 7.861 -16.047 -0.248 1.00 61.23 C ATOM 360 C PRO A 23 8.420 -16.776 -1.465 1.00 42.33 C ATOM 361 O PRO A 23 9.578 -16.587 -1.837 1.00 10.42 O ATOM 362 CB PRO A 23 7.926 -16.946 0.989 1.00 24.42 C ATOM 363 CG PRO A 23 6.582 -17.583 1.066 1.00 20.22 C ATOM 364 CD PRO A 23 5.611 -16.566 0.537 1.00 50.15 C ATOM 0 HA PRO A 23 8.455 -15.137 -0.163 1.00 61.23 H new ATOM 0 HB2 PRO A 23 8.713 -17.694 0.894 1.00 24.42 H new ATOM 0 HB3 PRO A 23 8.142 -16.368 1.887 1.00 24.42 H new ATOM 0 HG2 PRO A 23 6.549 -18.498 0.475 1.00 20.22 H new ATOM 0 HG3 PRO A 23 6.339 -17.858 2.092 1.00 20.22 H new ATOM 0 HD2 PRO A 23 4.776 -17.039 0.020 1.00 50.15 H new ATOM 0 HD3 PRO A 23 5.188 -15.960 1.338 1.00 50.15 H new ATOM 372 N GLY A 24 7.590 -17.610 -2.084 1.00 11.20 N ATOM 373 CA GLY A 24 8.020 -18.354 -3.253 1.00 74.14 C ATOM 374 C GLY A 24 7.136 -18.102 -4.459 1.00 21.35 C ATOM 375 O GLY A 24 6.953 -18.982 -5.298 1.00 61.31 O ATOM 0 H GLY A 24 6.627 -17.784 -1.796 1.00 11.20 H new ATOM 0 HA2 GLY A 24 9.047 -18.081 -3.496 1.00 74.14 H new ATOM 0 HA3 GLY A 24 8.019 -19.419 -3.022 1.00 74.14 H new ATOM 379 N GLY A 25 6.583 -16.896 -4.544 1.00 1.12 N ATOM 380 CA GLY A 25 5.718 -16.553 -5.658 1.00 3.01 C ATOM 381 C GLY A 25 6.371 -15.580 -6.621 1.00 34.04 C ATOM 382 O GLY A 25 7.538 -15.225 -6.460 1.00 44.42 O ATOM 0 H GLY A 25 6.718 -16.150 -3.861 1.00 1.12 H new ATOM 0 HA2 GLY A 25 5.444 -17.461 -6.194 1.00 3.01 H new ATOM 0 HA3 GLY A 25 4.795 -16.117 -5.276 1.00 3.01 H new ATOM 386 N LYS A 26 5.616 -15.148 -7.625 1.00 34.24 N ATOM 387 CA LYS A 26 6.126 -14.211 -8.619 1.00 12.32 C ATOM 388 C LYS A 26 5.244 -12.969 -8.699 1.00 34.14 C ATOM 389 O LYS A 26 5.369 -12.163 -9.622 1.00 32.44 O ATOM 390 CB LYS A 26 6.204 -14.883 -9.990 1.00 55.24 C ATOM 391 CG LYS A 26 7.107 -16.103 -10.020 1.00 22.50 C ATOM 392 CD LYS A 26 6.574 -17.171 -10.961 1.00 54.22 C ATOM 393 CE LYS A 26 7.656 -17.673 -11.905 1.00 22.44 C ATOM 394 NZ LYS A 26 8.381 -18.846 -11.342 1.00 30.05 N ATOM 0 H LYS A 26 4.647 -15.432 -7.772 1.00 34.24 H new ATOM 0 HA LYS A 26 7.127 -13.905 -8.314 1.00 12.32 H new ATOM 0 HB2 LYS A 26 5.201 -15.177 -10.299 1.00 55.24 H new ATOM 0 HB3 LYS A 26 6.563 -14.158 -10.721 1.00 55.24 H new ATOM 0 HG2 LYS A 26 8.108 -15.808 -10.334 1.00 22.50 H new ATOM 0 HG3 LYS A 26 7.197 -16.515 -9.015 1.00 22.50 H new ATOM 0 HD2 LYS A 26 6.181 -18.005 -10.380 1.00 54.22 H new ATOM 0 HD3 LYS A 26 5.744 -16.766 -11.540 1.00 54.22 H new ATOM 0 HE2 LYS A 26 7.207 -17.947 -12.860 1.00 22.44 H new ATOM 0 HE3 LYS A 26 8.365 -16.870 -12.105 1.00 22.44 H new ATOM 0 HZ1 LYS A 26 9.110 -19.159 -12.014 1.00 30.05 H new ATOM 0 HZ2 LYS A 26 8.831 -18.578 -10.444 1.00 30.05 H new ATOM 0 HZ3 LYS A 26 7.709 -19.622 -11.174 1.00 30.05 H new ATOM 408 N LYS A 27 4.351 -12.820 -7.726 1.00 3.41 N ATOM 409 CA LYS A 27 3.449 -11.675 -7.683 1.00 53.42 C ATOM 410 C LYS A 27 3.887 -10.675 -6.618 1.00 31.51 C ATOM 411 O LYS A 27 4.267 -11.059 -5.511 1.00 73.21 O ATOM 412 CB LYS A 27 2.017 -12.137 -7.406 1.00 51.31 C ATOM 413 CG LYS A 27 1.360 -12.827 -8.590 1.00 2.55 C ATOM 414 CD LYS A 27 0.071 -13.522 -8.185 1.00 52.23 C ATOM 415 CE LYS A 27 0.059 -14.976 -8.631 1.00 40.01 C ATOM 416 NZ LYS A 27 -0.628 -15.853 -7.642 1.00 64.35 N ATOM 0 H LYS A 27 4.233 -13.479 -6.956 1.00 3.41 H new ATOM 0 HA LYS A 27 3.484 -11.182 -8.654 1.00 53.42 H new ATOM 0 HB2 LYS A 27 2.022 -12.819 -6.556 1.00 51.31 H new ATOM 0 HB3 LYS A 27 1.415 -11.275 -7.119 1.00 51.31 H new ATOM 0 HG2 LYS A 27 1.150 -12.094 -9.369 1.00 2.55 H new ATOM 0 HG3 LYS A 27 2.049 -13.556 -9.016 1.00 2.55 H new ATOM 0 HD2 LYS A 27 -0.047 -13.471 -7.103 1.00 52.23 H new ATOM 0 HD3 LYS A 27 -0.779 -12.999 -8.623 1.00 52.23 H new ATOM 0 HE2 LYS A 27 -0.441 -15.056 -9.596 1.00 40.01 H new ATOM 0 HE3 LYS A 27 1.083 -15.321 -8.773 1.00 40.01 H new ATOM 0 HZ1 LYS A 27 -0.615 -16.836 -7.982 1.00 64.35 H new ATOM 0 HZ2 LYS A 27 -0.136 -15.797 -6.727 1.00 64.35 H new ATOM 0 HZ3 LYS A 27 -1.613 -15.540 -7.525 1.00 64.35 H new ATOM 430 N LYS A 28 3.831 -9.392 -6.957 1.00 21.42 N ATOM 431 CA LYS A 28 4.219 -8.337 -6.029 1.00 43.40 C ATOM 432 C LYS A 28 3.019 -7.472 -5.656 1.00 5.30 C ATOM 433 O LYS A 28 1.947 -7.592 -6.249 1.00 21.44 O ATOM 434 CB LYS A 28 5.318 -7.466 -6.644 1.00 73.35 C ATOM 435 CG LYS A 28 6.679 -8.140 -6.681 1.00 72.10 C ATOM 436 CD LYS A 28 7.369 -7.930 -8.018 1.00 54.21 C ATOM 437 CE LYS A 28 7.463 -9.227 -8.807 1.00 24.10 C ATOM 438 NZ LYS A 28 6.260 -9.450 -9.656 1.00 23.04 N ATOM 0 H LYS A 28 3.520 -9.057 -7.869 1.00 21.42 H new ATOM 0 HA LYS A 28 4.601 -8.807 -5.123 1.00 43.40 H new ATOM 0 HB2 LYS A 28 5.029 -7.194 -7.659 1.00 73.35 H new ATOM 0 HB3 LYS A 28 5.396 -6.539 -6.076 1.00 73.35 H new ATOM 0 HG2 LYS A 28 7.304 -7.743 -5.881 1.00 72.10 H new ATOM 0 HG3 LYS A 28 6.563 -9.208 -6.494 1.00 72.10 H new ATOM 0 HD2 LYS A 28 6.821 -7.188 -8.599 1.00 54.21 H new ATOM 0 HD3 LYS A 28 8.369 -7.530 -7.853 1.00 54.21 H new ATOM 0 HE2 LYS A 28 8.352 -9.205 -9.437 1.00 24.10 H new ATOM 0 HE3 LYS A 28 7.581 -10.063 -8.118 1.00 24.10 H new ATOM 0 HZ1 LYS A 28 5.986 -10.452 -9.614 1.00 23.04 H new ATOM 0 HZ2 LYS A 28 5.476 -8.862 -9.308 1.00 23.04 H new ATOM 0 HZ3 LYS A 28 6.477 -9.192 -10.640 1.00 23.04 H new ATOM 452 N TYR A 29 3.209 -6.599 -4.672 1.00 51.34 N ATOM 453 CA TYR A 29 2.142 -5.714 -4.220 1.00 74.34 C ATOM 454 C TYR A 29 1.815 -4.668 -5.282 1.00 51.32 C ATOM 455 O TYR A 29 2.679 -4.268 -6.063 1.00 33.14 O ATOM 456 CB TYR A 29 2.541 -5.024 -2.915 1.00 71.40 C ATOM 457 CG TYR A 29 2.200 -5.826 -1.679 1.00 11.52 C ATOM 458 CD1 TYR A 29 0.888 -5.930 -1.235 1.00 24.32 C ATOM 459 CD2 TYR A 29 3.191 -6.477 -0.954 1.00 71.35 C ATOM 460 CE1 TYR A 29 0.573 -6.661 -0.105 1.00 35.01 C ATOM 461 CE2 TYR A 29 2.884 -7.211 0.175 1.00 62.20 C ATOM 462 CZ TYR A 29 1.574 -7.300 0.596 1.00 14.43 C ATOM 463 OH TYR A 29 1.264 -8.028 1.721 1.00 30.14 O ATOM 0 H TYR A 29 4.091 -6.486 -4.173 1.00 51.34 H new ATOM 0 HA TYR A 29 1.252 -6.319 -4.046 1.00 74.34 H new ATOM 0 HB2 TYR A 29 3.614 -4.831 -2.929 1.00 71.40 H new ATOM 0 HB3 TYR A 29 2.044 -4.056 -2.859 1.00 71.40 H new ATOM 0 HD1 TYR A 29 0.101 -5.432 -1.782 1.00 24.32 H new ATOM 0 HD2 TYR A 29 4.219 -6.408 -1.279 1.00 71.35 H new ATOM 0 HE1 TYR A 29 -0.452 -6.731 0.227 1.00 35.01 H new ATOM 0 HE2 TYR A 29 3.666 -7.713 0.725 1.00 62.20 H new ATOM 0 HH TYR A 29 0.359 -8.393 1.635 1.00 30.14 H new ATOM 473 N ARG A 30 0.561 -4.228 -5.303 1.00 63.35 N ATOM 474 CA ARG A 30 0.118 -3.229 -6.268 1.00 44.32 C ATOM 475 C ARG A 30 -1.082 -2.452 -5.735 1.00 42.12 C ATOM 476 O ARG A 30 -1.642 -2.793 -4.693 1.00 74.42 O ATOM 477 CB ARG A 30 -0.242 -3.896 -7.597 1.00 11.40 C ATOM 478 CG ARG A 30 0.529 -3.343 -8.785 1.00 41.42 C ATOM 479 CD ARG A 30 0.499 -4.303 -9.964 1.00 62.51 C ATOM 480 NE ARG A 30 1.704 -5.126 -10.030 1.00 34.43 N ATOM 481 CZ ARG A 30 1.924 -6.031 -10.977 1.00 23.45 C ATOM 482 NH1 ARG A 30 1.027 -6.227 -11.933 1.00 22.11 N ATOM 483 NH2 ARG A 30 3.046 -6.741 -10.969 1.00 74.55 N ATOM 0 H ARG A 30 -0.166 -4.548 -4.663 1.00 63.35 H new ATOM 0 HA ARG A 30 0.938 -2.530 -6.431 1.00 44.32 H new ATOM 0 HB2 ARG A 30 -0.054 -4.967 -7.519 1.00 11.40 H new ATOM 0 HB3 ARG A 30 -1.310 -3.772 -7.778 1.00 11.40 H new ATOM 0 HG2 ARG A 30 0.102 -2.385 -9.083 1.00 41.42 H new ATOM 0 HG3 ARG A 30 1.562 -3.155 -8.494 1.00 41.42 H new ATOM 0 HD2 ARG A 30 -0.376 -4.948 -9.885 1.00 62.51 H new ATOM 0 HD3 ARG A 30 0.395 -3.737 -10.890 1.00 62.51 H new ATOM 0 HE ARG A 30 2.415 -4.999 -9.310 1.00 34.43 H new ATOM 0 HH11 ARG A 30 0.165 -5.682 -11.943 1.00 22.11 H new ATOM 0 HH12 ARG A 30 1.199 -6.923 -12.659 1.00 22.11 H new ATOM 0 HH21 ARG A 30 3.739 -6.591 -10.236 1.00 74.55 H new ATOM 0 HH22 ARG A 30 3.215 -7.436 -11.696 1.00 74.55 H new ATOM 497 N LEU A 31 -1.470 -1.406 -6.456 1.00 32.03 N ATOM 498 CA LEU A 31 -2.604 -0.580 -6.055 1.00 44.54 C ATOM 499 C LEU A 31 -3.839 -1.437 -5.800 1.00 32.12 C ATOM 500 O LEU A 31 -4.675 -1.105 -4.958 1.00 70.42 O ATOM 501 CB LEU A 31 -2.907 0.462 -7.134 1.00 52.10 C ATOM 502 CG LEU A 31 -2.025 1.712 -7.126 1.00 72.34 C ATOM 503 CD1 LEU A 31 -1.781 2.202 -8.545 1.00 21.21 C ATOM 504 CD2 LEU A 31 -2.662 2.808 -6.283 1.00 41.51 C ATOM 0 H LEU A 31 -1.017 -1.110 -7.320 1.00 32.03 H new ATOM 0 HA LEU A 31 -2.341 -0.070 -5.128 1.00 44.54 H new ATOM 0 HB2 LEU A 31 -2.816 -0.017 -8.109 1.00 52.10 H new ATOM 0 HB3 LEU A 31 -3.946 0.774 -7.028 1.00 52.10 H new ATOM 0 HG LEU A 31 -1.063 1.453 -6.683 1.00 72.34 H new ATOM 0 HD11 LEU A 31 -1.152 3.092 -8.520 1.00 21.21 H new ATOM 0 HD12 LEU A 31 -1.282 1.421 -9.119 1.00 21.21 H new ATOM 0 HD13 LEU A 31 -2.734 2.445 -9.015 1.00 21.21 H new ATOM 0 HD21 LEU A 31 -2.021 3.690 -6.288 1.00 41.51 H new ATOM 0 HD22 LEU A 31 -3.637 3.065 -6.697 1.00 41.51 H new ATOM 0 HD23 LEU A 31 -2.785 2.455 -5.259 1.00 41.51 H new ATOM 516 N LYS A 32 -3.948 -2.543 -6.530 1.00 3.35 N ATOM 517 CA LYS A 32 -5.078 -3.451 -6.379 1.00 53.44 C ATOM 518 C LYS A 32 -5.274 -3.840 -4.918 1.00 60.21 C ATOM 519 O LYS A 32 -6.390 -3.803 -4.399 1.00 71.11 O ATOM 520 CB LYS A 32 -4.866 -4.705 -7.230 1.00 32.32 C ATOM 521 CG LYS A 32 -6.072 -5.078 -8.076 1.00 62.12 C ATOM 522 CD LYS A 32 -5.818 -6.340 -8.883 1.00 22.23 C ATOM 523 CE LYS A 32 -6.907 -7.378 -8.652 1.00 0.35 C ATOM 524 NZ LYS A 32 -8.142 -7.065 -9.423 1.00 1.04 N ATOM 0 H LYS A 32 -3.267 -2.831 -7.232 1.00 3.35 H new ATOM 0 HA LYS A 32 -5.975 -2.935 -6.720 1.00 53.44 H new ATOM 0 HB2 LYS A 32 -4.008 -4.549 -7.884 1.00 32.32 H new ATOM 0 HB3 LYS A 32 -4.620 -5.541 -6.575 1.00 32.32 H new ATOM 0 HG2 LYS A 32 -6.938 -5.226 -7.431 1.00 62.12 H new ATOM 0 HG3 LYS A 32 -6.313 -4.256 -8.750 1.00 62.12 H new ATOM 0 HD2 LYS A 32 -5.770 -6.092 -9.943 1.00 22.23 H new ATOM 0 HD3 LYS A 32 -4.850 -6.760 -8.609 1.00 22.23 H new ATOM 0 HE2 LYS A 32 -6.538 -8.362 -8.941 1.00 0.35 H new ATOM 0 HE3 LYS A 32 -7.144 -7.426 -7.589 1.00 0.35 H new ATOM 0 HZ1 LYS A 32 -8.860 -7.795 -9.239 1.00 1.04 H new ATOM 0 HZ2 LYS A 32 -8.508 -6.137 -9.130 1.00 1.04 H new ATOM 0 HZ3 LYS A 32 -7.921 -7.045 -10.439 1.00 1.04 H new ATOM 538 N HIS A 33 -4.181 -4.213 -4.259 1.00 75.32 N ATOM 539 CA HIS A 33 -4.232 -4.608 -2.855 1.00 74.12 C ATOM 540 C HIS A 33 -4.576 -3.415 -1.969 1.00 21.04 C ATOM 541 O HIS A 33 -5.189 -3.644 -0.925 1.00 53.41 O ATOM 542 CB HIS A 33 -2.894 -5.210 -2.423 1.00 51.04 C ATOM 543 CG HIS A 33 -2.395 -6.282 -3.343 1.00 54.03 C ATOM 544 ND1 HIS A 33 -1.238 -6.161 -4.083 1.00 15.23 N ATOM 545 CD2 HIS A 33 -2.904 -7.501 -3.641 1.00 23.22 C ATOM 546 CE1 HIS A 33 -1.057 -7.258 -4.796 1.00 74.22 C ATOM 547 NE2 HIS A 33 -2.054 -8.088 -4.545 1.00 32.22 N ATOM 0 H HIS A 33 -3.250 -4.250 -4.674 1.00 75.32 H new ATOM 0 HA HIS A 33 -5.013 -5.360 -2.742 1.00 74.12 H new ATOM 0 HB2 HIS A 33 -2.149 -4.416 -2.366 1.00 51.04 H new ATOM 0 HB3 HIS A 33 -2.998 -5.623 -1.420 1.00 51.04 H new ATOM 0 HD2 HIS A 33 -3.810 -7.931 -3.242 1.00 23.22 H new ATOM 0 HE1 HIS A 33 -0.234 -7.445 -5.470 1.00 74.22 H new ATOM 0 HE2 HIS A 33 -2.173 -9.014 -4.956 1.00 32.22 H new ATOM 555 N ILE A 34 -4.211 -2.192 -2.340 1.00 73.54 N ATOM 556 CA ILE A 34 -4.518 -1.024 -1.526 1.00 12.24 C ATOM 557 C ILE A 34 -6.009 -0.703 -1.564 1.00 43.44 C ATOM 558 O ILE A 34 -6.593 -0.297 -0.560 1.00 4.30 O ATOM 559 CB ILE A 34 -3.726 0.212 -1.994 1.00 12.04 C ATOM 560 CG1 ILE A 34 -2.242 -0.131 -2.139 1.00 12.11 C ATOM 561 CG2 ILE A 34 -3.916 1.364 -1.018 1.00 15.11 C ATOM 562 CD1 ILE A 34 -1.390 1.043 -2.567 1.00 33.34 C ATOM 0 H ILE A 34 -3.702 -1.985 -3.200 1.00 73.54 H new ATOM 0 HA ILE A 34 -4.227 -1.267 -0.504 1.00 12.24 H new ATOM 0 HB ILE A 34 -4.105 0.521 -2.968 1.00 12.04 H new ATOM 0 HG12 ILE A 34 -1.871 -0.511 -1.187 1.00 12.11 H new ATOM 0 HG13 ILE A 34 -2.132 -0.934 -2.868 1.00 12.11 H new ATOM 0 HG21 ILE A 34 -3.350 2.230 -1.362 1.00 15.11 H new ATOM 0 HG22 ILE A 34 -4.974 1.621 -0.960 1.00 15.11 H new ATOM 0 HG23 ILE A 34 -3.560 1.067 -0.031 1.00 15.11 H new ATOM 0 HD11 ILE A 34 -0.350 0.727 -2.650 1.00 33.34 H new ATOM 0 HD12 ILE A 34 -1.735 1.410 -3.533 1.00 33.34 H new ATOM 0 HD13 ILE A 34 -1.470 1.839 -1.827 1.00 33.34 H new ATOM 574 N VAL A 35 -6.618 -0.891 -2.730 1.00 14.43 N ATOM 575 CA VAL A 35 -8.042 -0.624 -2.899 1.00 73.24 C ATOM 576 C VAL A 35 -8.881 -1.545 -2.022 1.00 34.25 C ATOM 577 O VAL A 35 -9.651 -1.084 -1.178 1.00 51.04 O ATOM 578 CB VAL A 35 -8.475 -0.798 -4.367 1.00 51.25 C ATOM 579 CG1 VAL A 35 -9.971 -0.562 -4.515 1.00 22.53 C ATOM 580 CG2 VAL A 35 -7.687 0.140 -5.269 1.00 50.34 C ATOM 0 H VAL A 35 -6.149 -1.227 -3.571 1.00 14.43 H new ATOM 0 HA VAL A 35 -8.208 0.411 -2.599 1.00 73.24 H new ATOM 0 HB VAL A 35 -8.262 -1.823 -4.671 1.00 51.25 H new ATOM 0 HG11 VAL A 35 -10.258 -0.689 -5.559 1.00 22.53 H new ATOM 0 HG12 VAL A 35 -10.515 -1.278 -3.899 1.00 22.53 H new ATOM 0 HG13 VAL A 35 -10.213 0.451 -4.193 1.00 22.53 H new ATOM 0 HG21 VAL A 35 -8.006 0.004 -6.302 1.00 50.34 H new ATOM 0 HG22 VAL A 35 -7.867 1.172 -4.967 1.00 50.34 H new ATOM 0 HG23 VAL A 35 -6.623 -0.083 -5.185 1.00 50.34 H new ATOM 590 N TRP A 36 -8.728 -2.848 -2.223 1.00 63.34 N ATOM 591 CA TRP A 36 -9.472 -3.835 -1.449 1.00 43.05 C ATOM 592 C TRP A 36 -9.194 -3.679 0.042 1.00 20.21 C ATOM 593 O TRP A 36 -10.053 -3.964 0.876 1.00 51.32 O ATOM 594 CB TRP A 36 -9.108 -5.250 -1.903 1.00 11.10 C ATOM 595 CG TRP A 36 -9.802 -6.323 -1.120 1.00 10.43 C ATOM 596 CD1 TRP A 36 -10.989 -6.924 -1.428 1.00 11.04 C ATOM 597 CD2 TRP A 36 -9.353 -6.918 0.103 1.00 12.01 C ATOM 598 NE1 TRP A 36 -11.304 -7.859 -0.471 1.00 13.54 N ATOM 599 CE2 TRP A 36 -10.317 -7.874 0.479 1.00 52.44 C ATOM 600 CE3 TRP A 36 -8.231 -6.738 0.915 1.00 31.35 C ATOM 601 CZ2 TRP A 36 -10.191 -8.645 1.632 1.00 44.44 C ATOM 602 CZ3 TRP A 36 -8.106 -7.503 2.059 1.00 34.24 C ATOM 603 CH2 TRP A 36 -9.081 -8.447 2.408 1.00 74.30 C ATOM 0 H TRP A 36 -8.095 -3.247 -2.916 1.00 63.34 H new ATOM 0 HA TRP A 36 -10.535 -3.668 -1.621 1.00 43.05 H new ATOM 0 HB2 TRP A 36 -9.358 -5.361 -2.958 1.00 11.10 H new ATOM 0 HB3 TRP A 36 -8.030 -5.386 -1.815 1.00 11.10 H new ATOM 0 HD1 TRP A 36 -11.591 -6.698 -2.295 1.00 11.04 H new ATOM 0 HE1 TRP A 36 -12.138 -8.447 -0.469 1.00 13.54 H new ATOM 0 HE3 TRP A 36 -7.474 -6.013 0.653 1.00 31.35 H new ATOM 0 HZ2 TRP A 36 -10.942 -9.372 1.904 1.00 44.44 H new ATOM 0 HZ3 TRP A 36 -7.243 -7.371 2.694 1.00 34.24 H new ATOM 0 HH2 TRP A 36 -8.954 -9.030 3.308 1.00 74.30 H new ATOM 614 N ALA A 37 -7.988 -3.226 0.371 1.00 34.30 N ATOM 615 CA ALA A 37 -7.600 -3.030 1.761 1.00 21.32 C ATOM 616 C ALA A 37 -8.440 -1.940 2.418 1.00 12.53 C ATOM 617 O ALA A 37 -8.967 -2.125 3.515 1.00 70.21 O ATOM 618 CB ALA A 37 -6.120 -2.685 1.852 1.00 71.21 C ATOM 0 H ALA A 37 -7.264 -2.988 -0.307 1.00 34.30 H new ATOM 0 HA ALA A 37 -7.779 -3.962 2.297 1.00 21.32 H new ATOM 0 HB1 ALA A 37 -5.843 -2.541 2.896 1.00 71.21 H new ATOM 0 HB2 ALA A 37 -5.530 -3.498 1.429 1.00 71.21 H new ATOM 0 HB3 ALA A 37 -5.925 -1.768 1.296 1.00 71.21 H new ATOM 624 N ALA A 38 -8.560 -0.803 1.741 1.00 4.32 N ATOM 625 CA ALA A 38 -9.337 0.316 2.259 1.00 4.23 C ATOM 626 C ALA A 38 -10.816 -0.040 2.355 1.00 23.33 C ATOM 627 O ALA A 38 -11.489 0.320 3.320 1.00 43.11 O ATOM 628 CB ALA A 38 -9.144 1.544 1.381 1.00 63.21 C ATOM 0 H ALA A 38 -8.129 -0.633 0.832 1.00 4.32 H new ATOM 0 HA ALA A 38 -8.978 0.541 3.264 1.00 4.23 H new ATOM 0 HB1 ALA A 38 -9.730 2.372 1.780 1.00 63.21 H new ATOM 0 HB2 ALA A 38 -8.089 1.819 1.367 1.00 63.21 H new ATOM 0 HB3 ALA A 38 -9.474 1.321 0.366 1.00 63.21 H new ATOM 634 N ASN A 39 -11.315 -0.750 1.349 1.00 20.30 N ATOM 635 CA ASN A 39 -12.716 -1.154 1.320 1.00 22.13 C ATOM 636 C ASN A 39 -13.102 -1.872 2.610 1.00 3.43 C ATOM 637 O ASN A 39 -14.225 -1.737 3.098 1.00 44.34 O ATOM 638 CB ASN A 39 -12.982 -2.063 0.119 1.00 22.52 C ATOM 639 CG ASN A 39 -13.497 -1.297 -1.084 1.00 33.21 C ATOM 640 OD1 ASN A 39 -14.700 -1.261 -1.342 1.00 12.33 O ATOM 641 ND2 ASN A 39 -12.586 -0.680 -1.827 1.00 24.31 N ATOM 0 H ASN A 39 -10.770 -1.058 0.543 1.00 20.30 H new ATOM 0 HA ASN A 39 -13.325 -0.255 1.229 1.00 22.13 H new ATOM 0 HB2 ASN A 39 -12.062 -2.582 -0.151 1.00 22.52 H new ATOM 0 HB3 ASN A 39 -13.708 -2.826 0.398 1.00 22.52 H new ATOM 0 HD21 ASN A 39 -12.873 -0.149 -2.649 1.00 24.31 H new ATOM 0 HD22 ASN A 39 -11.599 -0.737 -1.576 1.00 24.31 H new ATOM 648 N LYS A 40 -12.163 -2.635 3.159 1.00 73.23 N ATOM 649 CA LYS A 40 -12.402 -3.373 4.394 1.00 20.50 C ATOM 650 C LYS A 40 -12.515 -2.424 5.583 1.00 43.05 C ATOM 651 O LYS A 40 -13.327 -2.635 6.484 1.00 53.02 O ATOM 652 CB LYS A 40 -11.275 -4.380 4.637 1.00 61.34 C ATOM 653 CG LYS A 40 -11.400 -5.645 3.805 1.00 20.33 C ATOM 654 CD LYS A 40 -12.195 -6.716 4.535 1.00 50.31 C ATOM 655 CE LYS A 40 -13.634 -6.772 4.044 1.00 61.34 C ATOM 656 NZ LYS A 40 -13.738 -7.410 2.703 1.00 42.22 N ATOM 0 H LYS A 40 -11.229 -2.759 2.768 1.00 73.23 H new ATOM 0 HA LYS A 40 -13.345 -3.910 4.290 1.00 20.50 H new ATOM 0 HB2 LYS A 40 -10.320 -3.903 4.417 1.00 61.34 H new ATOM 0 HB3 LYS A 40 -11.261 -4.650 5.693 1.00 61.34 H new ATOM 0 HG2 LYS A 40 -11.886 -5.412 2.858 1.00 20.33 H new ATOM 0 HG3 LYS A 40 -10.406 -6.026 3.568 1.00 20.33 H new ATOM 0 HD2 LYS A 40 -11.721 -7.686 4.388 1.00 50.31 H new ATOM 0 HD3 LYS A 40 -12.182 -6.514 5.606 1.00 50.31 H new ATOM 0 HE2 LYS A 40 -14.240 -7.328 4.759 1.00 61.34 H new ATOM 0 HE3 LYS A 40 -14.042 -5.762 3.998 1.00 61.34 H new ATOM 0 HZ1 LYS A 40 -14.558 -7.020 2.196 1.00 42.22 H new ATOM 0 HZ2 LYS A 40 -12.872 -7.219 2.160 1.00 42.22 H new ATOM 0 HZ3 LYS A 40 -13.856 -8.437 2.815 1.00 42.22 H new ATOM 670 N LEU A 41 -11.695 -1.379 5.578 1.00 54.42 N ATOM 671 CA LEU A 41 -11.704 -0.395 6.655 1.00 73.44 C ATOM 672 C LEU A 41 -13.053 0.316 6.733 1.00 65.40 C ATOM 673 O LEU A 41 -13.682 0.361 7.790 1.00 65.03 O ATOM 674 CB LEU A 41 -10.587 0.629 6.447 1.00 72.20 C ATOM 675 CG LEU A 41 -9.160 0.079 6.476 1.00 51.13 C ATOM 676 CD1 LEU A 41 -8.158 1.180 6.165 1.00 41.35 C ATOM 677 CD2 LEU A 41 -8.859 -0.554 7.826 1.00 2.35 C ATOM 0 H LEU A 41 -11.016 -1.191 4.841 1.00 54.42 H new ATOM 0 HA LEU A 41 -11.536 -0.921 7.595 1.00 73.44 H new ATOM 0 HB2 LEU A 41 -10.746 1.121 5.488 1.00 72.20 H new ATOM 0 HB3 LEU A 41 -10.676 1.395 7.217 1.00 72.20 H new ATOM 0 HG LEU A 41 -9.072 -0.691 5.710 1.00 51.13 H new ATOM 0 HD11 LEU A 41 -7.148 0.771 6.190 1.00 41.35 H new ATOM 0 HD12 LEU A 41 -8.360 1.587 5.174 1.00 41.35 H new ATOM 0 HD13 LEU A 41 -8.247 1.973 6.908 1.00 41.35 H new ATOM 0 HD21 LEU A 41 -7.840 -0.940 7.828 1.00 2.35 H new ATOM 0 HD22 LEU A 41 -8.965 0.195 8.611 1.00 2.35 H new ATOM 0 HD23 LEU A 41 -9.557 -1.372 8.008 1.00 2.35 H new ATOM 689 N ASP A 42 -13.490 0.867 5.606 1.00 11.24 N ATOM 690 CA ASP A 42 -14.765 1.572 5.546 1.00 41.54 C ATOM 691 C ASP A 42 -15.888 0.716 6.124 1.00 51.33 C ATOM 692 O ASP A 42 -16.655 1.173 6.973 1.00 60.54 O ATOM 693 CB ASP A 42 -15.091 1.956 4.102 1.00 13.41 C ATOM 694 CG ASP A 42 -16.553 2.316 3.915 1.00 64.54 C ATOM 695 OD1 ASP A 42 -17.365 1.396 3.684 1.00 22.41 O ATOM 696 OD2 ASP A 42 -16.883 3.516 3.999 1.00 1.24 O ATOM 0 H ASP A 42 -12.981 0.839 4.723 1.00 11.24 H new ATOM 0 HA ASP A 42 -14.680 2.479 6.145 1.00 41.54 H new ATOM 0 HB2 ASP A 42 -14.471 2.802 3.805 1.00 13.41 H new ATOM 0 HB3 ASP A 42 -14.837 1.127 3.442 1.00 13.41 H new ATOM 701 N ARG A 43 -15.978 -0.525 5.659 1.00 42.04 N ATOM 702 CA ARG A 43 -17.008 -1.443 6.129 1.00 71.31 C ATOM 703 C ARG A 43 -16.824 -1.756 7.611 1.00 10.42 C ATOM 704 O ARG A 43 -17.733 -1.554 8.416 1.00 11.33 O ATOM 705 CB ARG A 43 -16.975 -2.739 5.316 1.00 51.30 C ATOM 706 CG ARG A 43 -18.223 -2.964 4.477 1.00 12.34 C ATOM 707 CD ARG A 43 -19.403 -3.387 5.338 1.00 71.43 C ATOM 708 NE ARG A 43 -20.000 -4.636 4.871 1.00 12.52 N ATOM 709 CZ ARG A 43 -20.767 -4.725 3.790 1.00 11.52 C ATOM 710 NH1 ARG A 43 -21.028 -3.644 3.068 1.00 53.23 N ATOM 711 NH2 ARG A 43 -21.274 -5.896 3.430 1.00 71.34 N ATOM 0 H ARG A 43 -15.350 -0.918 4.957 1.00 42.04 H new ATOM 0 HA ARG A 43 -17.977 -0.961 5.995 1.00 71.31 H new ATOM 0 HB2 ARG A 43 -16.104 -2.724 4.660 1.00 51.30 H new ATOM 0 HB3 ARG A 43 -16.848 -3.581 5.996 1.00 51.30 H new ATOM 0 HG2 ARG A 43 -18.472 -2.049 3.940 1.00 12.34 H new ATOM 0 HG3 ARG A 43 -18.025 -3.730 3.727 1.00 12.34 H new ATOM 0 HD2 ARG A 43 -19.075 -3.506 6.371 1.00 71.43 H new ATOM 0 HD3 ARG A 43 -20.157 -2.600 5.332 1.00 71.43 H new ATOM 0 HE ARG A 43 -19.818 -5.486 5.404 1.00 12.52 H new ATOM 0 HH11 ARG A 43 -20.640 -2.742 3.342 1.00 53.23 H new ATOM 0 HH12 ARG A 43 -21.617 -3.715 2.238 1.00 53.23 H new ATOM 0 HH21 ARG A 43 -21.075 -6.730 3.983 1.00 71.34 H new ATOM 0 HH22 ARG A 43 -21.863 -5.963 2.600 1.00 71.34 H new ATOM 725 N PHE A 44 -15.642 -2.250 7.964 1.00 53.31 N ATOM 726 CA PHE A 44 -15.339 -2.591 9.349 1.00 42.22 C ATOM 727 C PHE A 44 -15.713 -1.446 10.286 1.00 52.34 C ATOM 728 O PHE A 44 -16.349 -1.656 11.318 1.00 54.43 O ATOM 729 CB PHE A 44 -13.853 -2.925 9.500 1.00 55.40 C ATOM 730 CG PHE A 44 -13.546 -4.383 9.316 1.00 45.23 C ATOM 731 CD1 PHE A 44 -14.202 -5.345 10.067 1.00 12.21 C ATOM 732 CD2 PHE A 44 -12.599 -4.793 8.390 1.00 41.43 C ATOM 733 CE1 PHE A 44 -13.919 -6.687 9.899 1.00 33.21 C ATOM 734 CE2 PHE A 44 -12.312 -6.134 8.218 1.00 33.10 C ATOM 735 CZ PHE A 44 -12.974 -7.083 8.973 1.00 52.35 C ATOM 0 H PHE A 44 -14.878 -2.423 7.310 1.00 53.31 H new ATOM 0 HA PHE A 44 -15.931 -3.466 9.620 1.00 42.22 H new ATOM 0 HB2 PHE A 44 -13.283 -2.347 8.773 1.00 55.40 H new ATOM 0 HB3 PHE A 44 -13.517 -2.613 10.489 1.00 55.40 H new ATOM 0 HD1 PHE A 44 -14.943 -5.042 10.792 1.00 12.21 H new ATOM 0 HD2 PHE A 44 -12.079 -4.056 7.796 1.00 41.43 H new ATOM 0 HE1 PHE A 44 -14.437 -7.426 10.492 1.00 33.21 H new ATOM 0 HE2 PHE A 44 -11.571 -6.440 7.494 1.00 33.10 H new ATOM 0 HZ PHE A 44 -12.753 -8.132 8.839 1.00 52.35 H new ATOM 745 N GLY A 45 -15.312 -0.233 9.918 1.00 64.01 N ATOM 746 CA GLY A 45 -15.612 0.928 10.735 1.00 63.31 C ATOM 747 C GLY A 45 -14.470 1.925 10.769 1.00 52.14 C ATOM 748 O GLY A 45 -14.618 3.032 11.287 1.00 53.12 O ATOM 0 H GLY A 45 -14.784 -0.034 9.068 1.00 64.01 H new ATOM 0 HA2 GLY A 45 -16.506 1.418 10.350 1.00 63.31 H new ATOM 0 HA3 GLY A 45 -15.838 0.605 11.751 1.00 63.31 H new ATOM 752 N LEU A 46 -13.328 1.532 10.217 1.00 30.21 N ATOM 753 CA LEU A 46 -12.155 2.398 10.187 1.00 41.53 C ATOM 754 C LEU A 46 -12.124 3.229 8.908 1.00 1.40 C ATOM 755 O LEU A 46 -12.863 2.957 7.962 1.00 13.31 O ATOM 756 CB LEU A 46 -10.877 1.565 10.298 1.00 41.41 C ATOM 757 CG LEU A 46 -10.616 0.913 11.657 1.00 53.24 C ATOM 758 CD1 LEU A 46 -10.410 -0.585 11.499 1.00 12.23 C ATOM 759 CD2 LEU A 46 -9.412 1.551 12.332 1.00 41.43 C ATOM 0 H LEU A 46 -13.189 0.619 9.784 1.00 30.21 H new ATOM 0 HA LEU A 46 -12.214 3.076 11.038 1.00 41.53 H new ATOM 0 HB2 LEU A 46 -10.912 0.781 9.542 1.00 41.41 H new ATOM 0 HB3 LEU A 46 -10.028 2.204 10.055 1.00 41.41 H new ATOM 0 HG LEU A 46 -11.489 1.074 12.290 1.00 53.24 H new ATOM 0 HD11 LEU A 46 -10.226 -1.032 12.476 1.00 12.23 H new ATOM 0 HD12 LEU A 46 -11.302 -1.030 11.059 1.00 12.23 H new ATOM 0 HD13 LEU A 46 -9.554 -0.768 10.849 1.00 12.23 H new ATOM 0 HD21 LEU A 46 -9.241 1.075 13.297 1.00 41.43 H new ATOM 0 HD22 LEU A 46 -8.531 1.422 11.703 1.00 41.43 H new ATOM 0 HD23 LEU A 46 -9.599 2.615 12.480 1.00 41.43 H new ATOM 771 N ALA A 47 -11.262 4.240 8.886 1.00 1.31 N ATOM 772 CA ALA A 47 -11.131 5.108 7.722 1.00 54.44 C ATOM 773 C ALA A 47 -9.971 4.667 6.836 1.00 40.43 C ATOM 774 O ALA A 47 -9.114 3.894 7.262 1.00 41.45 O ATOM 775 CB ALA A 47 -10.946 6.553 8.159 1.00 41.02 C ATOM 0 H ALA A 47 -10.644 4.478 9.661 1.00 1.31 H new ATOM 0 HA ALA A 47 -12.048 5.032 7.138 1.00 54.44 H new ATOM 0 HB1 ALA A 47 -10.850 7.190 7.279 1.00 41.02 H new ATOM 0 HB2 ALA A 47 -11.810 6.870 8.743 1.00 41.02 H new ATOM 0 HB3 ALA A 47 -10.046 6.637 8.768 1.00 41.02 H new ATOM 781 N GLU A 48 -9.952 5.163 5.603 1.00 11.21 N ATOM 782 CA GLU A 48 -8.897 4.819 4.657 1.00 31.22 C ATOM 783 C GLU A 48 -7.659 5.681 4.885 1.00 70.12 C ATOM 784 O GLU A 48 -6.570 5.361 4.408 1.00 34.15 O ATOM 785 CB GLU A 48 -9.394 4.989 3.220 1.00 22.05 C ATOM 786 CG GLU A 48 -9.825 6.408 2.890 1.00 62.11 C ATOM 787 CD GLU A 48 -11.325 6.600 2.992 1.00 54.22 C ATOM 788 OE1 GLU A 48 -12.069 5.770 2.427 1.00 21.43 O ATOM 789 OE2 GLU A 48 -11.757 7.579 3.635 1.00 44.35 O ATOM 0 H GLU A 48 -10.655 5.804 5.236 1.00 11.21 H new ATOM 0 HA GLU A 48 -8.626 3.776 4.818 1.00 31.22 H new ATOM 0 HB2 GLU A 48 -8.603 4.689 2.533 1.00 22.05 H new ATOM 0 HB3 GLU A 48 -10.234 4.315 3.053 1.00 22.05 H new ATOM 0 HG2 GLU A 48 -9.327 7.102 3.567 1.00 62.11 H new ATOM 0 HG3 GLU A 48 -9.498 6.658 1.881 1.00 62.11 H new ATOM 796 N SER A 49 -7.835 6.777 5.617 1.00 73.44 N ATOM 797 CA SER A 49 -6.734 7.689 5.905 1.00 32.41 C ATOM 798 C SER A 49 -5.736 7.050 6.866 1.00 32.13 C ATOM 799 O SER A 49 -4.642 7.572 7.082 1.00 44.11 O ATOM 800 CB SER A 49 -7.267 8.994 6.498 1.00 3.05 C ATOM 801 OG SER A 49 -8.211 9.600 5.632 1.00 22.41 O ATOM 0 H SER A 49 -8.729 7.055 6.021 1.00 73.44 H new ATOM 0 HA SER A 49 -6.221 7.907 4.968 1.00 32.41 H new ATOM 0 HB2 SER A 49 -7.731 8.795 7.464 1.00 3.05 H new ATOM 0 HB3 SER A 49 -6.439 9.681 6.677 1.00 3.05 H new ATOM 0 HG SER A 49 -8.538 10.432 6.035 1.00 22.41 H new ATOM 807 N LEU A 50 -6.123 5.917 7.442 1.00 72.32 N ATOM 808 CA LEU A 50 -5.264 5.204 8.381 1.00 21.10 C ATOM 809 C LEU A 50 -4.239 4.350 7.642 1.00 73.31 C ATOM 810 O LEU A 50 -3.290 3.842 8.241 1.00 32.44 O ATOM 811 CB LEU A 50 -6.106 4.324 9.307 1.00 3.42 C ATOM 812 CG LEU A 50 -7.202 5.039 10.098 1.00 24.44 C ATOM 813 CD1 LEU A 50 -7.945 4.055 10.989 1.00 62.41 C ATOM 814 CD2 LEU A 50 -6.610 6.169 10.928 1.00 71.22 C ATOM 0 H LEU A 50 -7.026 5.473 7.275 1.00 72.32 H new ATOM 0 HA LEU A 50 -4.730 5.943 8.979 1.00 21.10 H new ATOM 0 HB2 LEU A 50 -6.570 3.541 8.708 1.00 3.42 H new ATOM 0 HB3 LEU A 50 -5.438 3.831 10.014 1.00 3.42 H new ATOM 0 HG LEU A 50 -7.913 5.467 9.391 1.00 24.44 H new ATOM 0 HD11 LEU A 50 -8.721 4.581 11.544 1.00 62.41 H new ATOM 0 HD12 LEU A 50 -8.402 3.280 10.373 1.00 62.41 H new ATOM 0 HD13 LEU A 50 -7.245 3.598 11.688 1.00 62.41 H new ATOM 0 HD21 LEU A 50 -7.404 6.667 11.484 1.00 71.22 H new ATOM 0 HD22 LEU A 50 -5.878 5.763 11.626 1.00 71.22 H new ATOM 0 HD23 LEU A 50 -6.123 6.888 10.269 1.00 71.22 H new ATOM 826 N LEU A 51 -4.435 4.197 6.337 1.00 4.52 N ATOM 827 CA LEU A 51 -3.527 3.407 5.514 1.00 23.03 C ATOM 828 C LEU A 51 -2.353 4.253 5.030 1.00 61.21 C ATOM 829 O LEU A 51 -1.387 3.731 4.477 1.00 45.04 O ATOM 830 CB LEU A 51 -4.273 2.818 4.316 1.00 50.31 C ATOM 831 CG LEU A 51 -4.817 1.401 4.495 1.00 72.54 C ATOM 832 CD1 LEU A 51 -5.638 0.987 3.282 1.00 21.25 C ATOM 833 CD2 LEU A 51 -3.678 0.418 4.731 1.00 52.31 C ATOM 0 H LEU A 51 -5.215 4.610 5.826 1.00 4.52 H new ATOM 0 HA LEU A 51 -3.137 2.594 6.127 1.00 23.03 H new ATOM 0 HB2 LEU A 51 -5.106 3.477 4.072 1.00 50.31 H new ATOM 0 HB3 LEU A 51 -3.601 2.822 3.457 1.00 50.31 H new ATOM 0 HG LEU A 51 -5.467 1.390 5.370 1.00 72.54 H new ATOM 0 HD11 LEU A 51 -6.017 -0.025 3.427 1.00 21.25 H new ATOM 0 HD12 LEU A 51 -6.475 1.674 3.158 1.00 21.25 H new ATOM 0 HD13 LEU A 51 -5.010 1.015 2.391 1.00 21.25 H new ATOM 0 HD21 LEU A 51 -4.084 -0.586 4.856 1.00 52.31 H new ATOM 0 HD22 LEU A 51 -3.002 0.432 3.876 1.00 52.31 H new ATOM 0 HD23 LEU A 51 -3.132 0.703 5.630 1.00 52.31 H new ATOM 845 N GLU A 52 -2.446 5.562 5.245 1.00 24.13 N ATOM 846 CA GLU A 52 -1.391 6.479 4.832 1.00 21.00 C ATOM 847 C GLU A 52 -0.745 7.147 6.044 1.00 63.43 C ATOM 848 O GLU A 52 -0.217 8.255 5.947 1.00 64.22 O ATOM 849 CB GLU A 52 -1.952 7.545 3.888 1.00 23.43 C ATOM 850 CG GLU A 52 -2.944 8.484 4.552 1.00 1.44 C ATOM 851 CD GLU A 52 -3.565 9.463 3.573 1.00 2.55 C ATOM 852 OE1 GLU A 52 -3.738 9.094 2.394 1.00 64.40 O ATOM 853 OE2 GLU A 52 -3.877 10.599 3.990 1.00 44.13 O ATOM 0 H GLU A 52 -3.240 6.010 5.702 1.00 24.13 H new ATOM 0 HA GLU A 52 -0.629 5.903 4.307 1.00 21.00 H new ATOM 0 HB2 GLU A 52 -1.126 8.130 3.482 1.00 23.43 H new ATOM 0 HB3 GLU A 52 -2.438 7.053 3.046 1.00 23.43 H new ATOM 0 HG2 GLU A 52 -3.733 7.899 5.024 1.00 1.44 H new ATOM 0 HG3 GLU A 52 -2.440 9.038 5.344 1.00 1.44 H new ATOM 860 N SER A 53 -0.792 6.464 7.183 1.00 2.32 N ATOM 861 CA SER A 53 -0.216 6.992 8.414 1.00 24.41 C ATOM 862 C SER A 53 0.301 5.862 9.300 1.00 13.21 C ATOM 863 O SER A 53 -0.431 4.925 9.621 1.00 21.33 O ATOM 864 CB SER A 53 -1.255 7.818 9.175 1.00 32.01 C ATOM 865 OG SER A 53 -1.188 7.564 10.568 1.00 63.33 O ATOM 0 H SER A 53 -1.223 5.544 7.279 1.00 2.32 H new ATOM 0 HA SER A 53 0.623 7.634 8.147 1.00 24.41 H new ATOM 0 HB2 SER A 53 -1.089 8.879 8.987 1.00 32.01 H new ATOM 0 HB3 SER A 53 -2.253 7.581 8.807 1.00 32.01 H new ATOM 0 HG SER A 53 -1.861 8.105 11.032 1.00 63.33 H new ATOM 871 N LYS A 54 1.566 5.958 9.693 1.00 63.32 N ATOM 872 CA LYS A 54 2.183 4.945 10.543 1.00 41.41 C ATOM 873 C LYS A 54 1.386 4.758 11.830 1.00 62.44 C ATOM 874 O LYS A 54 1.036 3.636 12.195 1.00 62.23 O ATOM 875 CB LYS A 54 3.624 5.339 10.875 1.00 15.32 C ATOM 876 CG LYS A 54 4.263 4.465 11.940 1.00 71.41 C ATOM 877 CD LYS A 54 5.772 4.399 11.775 1.00 22.43 C ATOM 878 CE LYS A 54 6.489 4.739 13.072 1.00 24.05 C ATOM 879 NZ LYS A 54 6.339 3.662 14.089 1.00 21.11 N ATOM 0 H LYS A 54 2.185 6.727 9.437 1.00 63.32 H new ATOM 0 HA LYS A 54 2.187 4.001 9.998 1.00 41.41 H new ATOM 0 HB2 LYS A 54 4.224 5.288 9.967 1.00 15.32 H new ATOM 0 HB3 LYS A 54 3.640 6.376 11.210 1.00 15.32 H new ATOM 0 HG2 LYS A 54 4.021 4.857 12.928 1.00 71.41 H new ATOM 0 HG3 LYS A 54 3.846 3.460 11.885 1.00 71.41 H new ATOM 0 HD2 LYS A 54 6.060 3.399 11.450 1.00 22.43 H new ATOM 0 HD3 LYS A 54 6.084 5.091 10.993 1.00 22.43 H new ATOM 0 HE2 LYS A 54 7.548 4.902 12.869 1.00 24.05 H new ATOM 0 HE3 LYS A 54 6.093 5.673 13.471 1.00 24.05 H new ATOM 0 HZ1 LYS A 54 7.078 3.764 14.814 1.00 21.11 H new ATOM 0 HZ2 LYS A 54 5.403 3.735 14.536 1.00 21.11 H new ATOM 0 HZ3 LYS A 54 6.432 2.734 13.628 1.00 21.11 H new ATOM 893 N GLU A 55 1.102 5.863 12.511 1.00 21.15 N ATOM 894 CA GLU A 55 0.346 5.817 13.758 1.00 42.54 C ATOM 895 C GLU A 55 -1.042 5.224 13.530 1.00 2.30 C ATOM 896 O GLU A 55 -1.630 4.630 14.432 1.00 30.44 O ATOM 897 CB GLU A 55 0.222 7.219 14.356 1.00 43.51 C ATOM 898 CG GLU A 55 0.104 7.227 15.872 1.00 41.15 C ATOM 899 CD GLU A 55 0.867 8.371 16.511 1.00 44.34 C ATOM 900 OE1 GLU A 55 0.310 9.487 16.585 1.00 73.34 O ATOM 901 OE2 GLU A 55 2.021 8.151 16.935 1.00 15.23 O ATOM 0 H GLU A 55 1.383 6.800 12.222 1.00 21.15 H new ATOM 0 HA GLU A 55 0.885 5.178 14.458 1.00 42.54 H new ATOM 0 HB2 GLU A 55 1.092 7.807 14.065 1.00 43.51 H new ATOM 0 HB3 GLU A 55 -0.652 7.711 13.929 1.00 43.51 H new ATOM 0 HG2 GLU A 55 -0.948 7.296 16.150 1.00 41.15 H new ATOM 0 HG3 GLU A 55 0.476 6.282 16.267 1.00 41.15 H new ATOM 908 N GLY A 56 -1.560 5.393 12.317 1.00 21.04 N ATOM 909 CA GLY A 56 -2.875 4.871 11.992 1.00 5.25 C ATOM 910 C GLY A 56 -2.853 3.381 11.712 1.00 73.02 C ATOM 911 O GLY A 56 -3.624 2.621 12.300 1.00 2.22 O ATOM 0 H GLY A 56 -1.093 5.882 11.554 1.00 21.04 H new ATOM 0 HA2 GLY A 56 -3.557 5.073 12.818 1.00 5.25 H new ATOM 0 HA3 GLY A 56 -3.266 5.396 11.120 1.00 5.25 H new ATOM 915 N CYS A 57 -1.971 2.963 10.811 1.00 2.13 N ATOM 916 CA CYS A 57 -1.855 1.554 10.452 1.00 2.21 C ATOM 917 C CYS A 57 -1.597 0.698 11.687 1.00 32.12 C ATOM 918 O CYS A 57 -2.022 -0.455 11.753 1.00 63.44 O ATOM 919 CB CYS A 57 -0.728 1.358 9.436 1.00 33.22 C ATOM 920 SG CYS A 57 -1.292 1.242 7.722 1.00 73.15 S ATOM 0 H CYS A 57 -1.326 3.579 10.316 1.00 2.13 H new ATOM 0 HA CYS A 57 -2.798 1.239 10.005 1.00 2.21 H new ATOM 0 HB2 CYS A 57 -0.028 2.189 9.521 1.00 33.22 H new ATOM 0 HB3 CYS A 57 -0.179 0.451 9.689 1.00 33.22 H new ATOM 0 HG CYS A 57 -1.128 0.026 7.293 1.00 73.15 H new ATOM 926 N GLN A 58 -0.899 1.270 12.662 1.00 21.30 N ATOM 927 CA GLN A 58 -0.583 0.556 13.895 1.00 70.23 C ATOM 928 C GLN A 58 -1.833 0.363 14.747 1.00 0.15 C ATOM 929 O GLN A 58 -1.929 -0.590 15.520 1.00 32.10 O ATOM 930 CB GLN A 58 0.479 1.315 14.691 1.00 40.23 C ATOM 931 CG GLN A 58 1.260 0.437 15.655 1.00 5.40 C ATOM 932 CD GLN A 58 0.763 0.551 17.082 1.00 12.01 C ATOM 933 OE1 GLN A 58 -0.404 0.865 17.321 1.00 24.34 O ATOM 934 NE2 GLN A 58 1.647 0.298 18.039 1.00 34.41 N ATOM 0 H GLN A 58 -0.541 2.224 12.623 1.00 21.30 H new ATOM 0 HA GLN A 58 -0.193 -0.426 13.627 1.00 70.23 H new ATOM 0 HB2 GLN A 58 1.175 1.785 13.996 1.00 40.23 H new ATOM 0 HB3 GLN A 58 -0.003 2.116 15.251 1.00 40.23 H new ATOM 0 HG2 GLN A 58 1.190 -0.602 15.332 1.00 5.40 H new ATOM 0 HG3 GLN A 58 2.314 0.712 15.618 1.00 5.40 H new ATOM 0 HE21 GLN A 58 2.603 0.041 17.795 1.00 34.41 H new ATOM 0 HE22 GLN A 58 1.370 0.360 19.019 1.00 34.41 H new ATOM 943 N LYS A 59 -2.788 1.275 14.603 1.00 53.44 N ATOM 944 CA LYS A 59 -4.033 1.206 15.358 1.00 15.20 C ATOM 945 C LYS A 59 -4.959 0.136 14.787 1.00 3.22 C ATOM 946 O LYS A 59 -5.902 -0.298 15.447 1.00 12.12 O ATOM 947 CB LYS A 59 -4.738 2.565 15.343 1.00 11.03 C ATOM 948 CG LYS A 59 -5.041 3.108 16.730 1.00 62.03 C ATOM 949 CD LYS A 59 -6.293 2.477 17.315 1.00 43.03 C ATOM 950 CE LYS A 59 -6.988 3.418 18.288 1.00 70.34 C ATOM 951 NZ LYS A 59 -6.296 3.462 19.606 1.00 0.23 N ATOM 0 H LYS A 59 -2.723 2.072 13.969 1.00 53.44 H new ATOM 0 HA LYS A 59 -3.790 0.939 16.387 1.00 15.20 H new ATOM 0 HB2 LYS A 59 -4.115 3.282 14.809 1.00 11.03 H new ATOM 0 HB3 LYS A 59 -5.670 2.475 14.785 1.00 11.03 H new ATOM 0 HG2 LYS A 59 -4.194 2.917 17.389 1.00 62.03 H new ATOM 0 HG3 LYS A 59 -5.168 4.189 16.679 1.00 62.03 H new ATOM 0 HD2 LYS A 59 -6.979 2.212 16.510 1.00 43.03 H new ATOM 0 HD3 LYS A 59 -6.030 1.551 17.827 1.00 43.03 H new ATOM 0 HE2 LYS A 59 -7.022 4.421 17.862 1.00 70.34 H new ATOM 0 HE3 LYS A 59 -8.020 3.097 18.430 1.00 70.34 H new ATOM 0 HZ1 LYS A 59 -6.800 4.114 20.241 1.00 0.23 H new ATOM 0 HZ2 LYS A 59 -6.285 2.510 20.025 1.00 0.23 H new ATOM 0 HZ3 LYS A 59 -5.319 3.793 19.474 1.00 0.23 H new ATOM 965 N ILE A 60 -4.680 -0.285 13.557 1.00 1.05 N ATOM 966 CA ILE A 60 -5.486 -1.307 12.900 1.00 4.24 C ATOM 967 C ILE A 60 -4.969 -2.705 13.221 1.00 50.34 C ATOM 968 O ILE A 60 -5.748 -3.620 13.492 1.00 54.52 O ATOM 969 CB ILE A 60 -5.501 -1.115 11.372 1.00 52.31 C ATOM 970 CG1 ILE A 60 -5.762 0.352 11.023 1.00 30.12 C ATOM 971 CG2 ILE A 60 -6.553 -2.011 10.736 1.00 22.54 C ATOM 972 CD1 ILE A 60 -5.749 0.631 9.536 1.00 12.33 C ATOM 0 H ILE A 60 -3.903 0.065 12.996 1.00 1.05 H new ATOM 0 HA ILE A 60 -6.502 -1.202 13.281 1.00 4.24 H new ATOM 0 HB ILE A 60 -4.525 -1.395 10.976 1.00 52.31 H new ATOM 0 HG12 ILE A 60 -6.728 0.648 11.432 1.00 30.12 H new ATOM 0 HG13 ILE A 60 -5.008 0.972 11.507 1.00 30.12 H new ATOM 0 HG21 ILE A 60 -6.551 -1.864 9.656 1.00 22.54 H new ATOM 0 HG22 ILE A 60 -6.327 -3.053 10.961 1.00 22.54 H new ATOM 0 HG23 ILE A 60 -7.535 -1.759 11.135 1.00 22.54 H new ATOM 0 HD11 ILE A 60 -5.941 1.690 9.363 1.00 12.33 H new ATOM 0 HD12 ILE A 60 -4.775 0.367 9.125 1.00 12.33 H new ATOM 0 HD13 ILE A 60 -6.522 0.038 9.048 1.00 12.33 H new ATOM 984 N LEU A 61 -3.651 -2.864 13.190 1.00 42.12 N ATOM 985 CA LEU A 61 -3.028 -4.151 13.479 1.00 71.01 C ATOM 986 C LEU A 61 -3.305 -4.578 14.917 1.00 72.55 C ATOM 987 O LEU A 61 -3.350 -5.771 15.224 1.00 12.10 O ATOM 988 CB LEU A 61 -1.520 -4.075 13.239 1.00 63.41 C ATOM 989 CG LEU A 61 -1.079 -3.915 11.783 1.00 32.21 C ATOM 990 CD1 LEU A 61 0.423 -3.689 11.702 1.00 33.35 C ATOM 991 CD2 LEU A 61 -1.481 -5.134 10.967 1.00 31.31 C ATOM 0 H LEU A 61 -2.992 -2.118 12.968 1.00 42.12 H new ATOM 0 HA LEU A 61 -3.459 -4.895 12.809 1.00 71.01 H new ATOM 0 HB2 LEU A 61 -1.123 -3.237 13.812 1.00 63.41 H new ATOM 0 HB3 LEU A 61 -1.063 -4.980 13.639 1.00 63.41 H new ATOM 0 HG LEU A 61 -1.580 -3.042 11.366 1.00 32.21 H new ATOM 0 HD11 LEU A 61 0.718 -3.577 10.659 1.00 33.35 H new ATOM 0 HD12 LEU A 61 0.685 -2.785 12.252 1.00 33.35 H new ATOM 0 HD13 LEU A 61 0.943 -4.542 12.137 1.00 33.35 H new ATOM 0 HD21 LEU A 61 -1.159 -5.003 9.934 1.00 31.31 H new ATOM 0 HD22 LEU A 61 -1.008 -6.023 11.384 1.00 31.31 H new ATOM 0 HD23 LEU A 61 -2.564 -5.251 10.997 1.00 31.31 H new ATOM 1003 N THR A 62 -3.492 -3.598 15.795 1.00 22.54 N ATOM 1004 CA THR A 62 -3.765 -3.873 17.200 1.00 50.21 C ATOM 1005 C THR A 62 -5.132 -4.524 17.377 1.00 1.11 C ATOM 1006 O THR A 62 -5.349 -5.293 18.314 1.00 45.35 O ATOM 1007 CB THR A 62 -3.708 -2.586 18.046 1.00 60.34 C ATOM 1008 OG1 THR A 62 -3.511 -2.915 19.425 1.00 62.03 O ATOM 1009 CG2 THR A 62 -4.988 -1.780 17.889 1.00 52.33 C ATOM 0 H THR A 62 -3.459 -2.606 15.558 1.00 22.54 H new ATOM 0 HA THR A 62 -2.991 -4.559 17.544 1.00 50.21 H new ATOM 0 HB THR A 62 -2.871 -1.982 17.695 1.00 60.34 H new ATOM 0 HG1 THR A 62 -3.474 -2.092 19.956 1.00 62.03 H new ATOM 0 HG21 THR A 62 -4.925 -0.876 18.495 1.00 52.33 H new ATOM 0 HG22 THR A 62 -5.120 -1.507 16.842 1.00 52.33 H new ATOM 0 HG23 THR A 62 -5.838 -2.379 18.217 1.00 52.33 H new ATOM 1017 N VAL A 63 -6.053 -4.211 16.471 1.00 62.13 N ATOM 1018 CA VAL A 63 -7.399 -4.768 16.526 1.00 15.24 C ATOM 1019 C VAL A 63 -7.505 -6.036 15.688 1.00 60.33 C ATOM 1020 O VAL A 63 -8.233 -6.967 16.037 1.00 2.32 O ATOM 1021 CB VAL A 63 -8.447 -3.751 16.033 1.00 20.45 C ATOM 1022 CG1 VAL A 63 -9.833 -4.378 16.017 1.00 21.55 C ATOM 1023 CG2 VAL A 63 -8.428 -2.503 16.903 1.00 33.43 C ATOM 0 H VAL A 63 -5.891 -3.575 15.690 1.00 62.13 H new ATOM 0 HA VAL A 63 -7.599 -5.009 17.570 1.00 15.24 H new ATOM 0 HB VAL A 63 -8.194 -3.460 15.014 1.00 20.45 H new ATOM 0 HG11 VAL A 63 -10.560 -3.645 15.666 1.00 21.55 H new ATOM 0 HG12 VAL A 63 -9.835 -5.239 15.349 1.00 21.55 H new ATOM 0 HG13 VAL A 63 -10.099 -4.699 17.024 1.00 21.55 H new ATOM 0 HG21 VAL A 63 -9.174 -1.796 16.541 1.00 33.43 H new ATOM 0 HG22 VAL A 63 -8.656 -2.775 17.934 1.00 33.43 H new ATOM 0 HG23 VAL A 63 -7.441 -2.043 16.859 1.00 33.43 H new ATOM 1033 N LEU A 64 -6.773 -6.068 14.579 1.00 72.23 N ATOM 1034 CA LEU A 64 -6.784 -7.224 13.689 1.00 23.23 C ATOM 1035 C LEU A 64 -5.929 -8.354 14.254 1.00 35.43 C ATOM 1036 O LEU A 64 -6.161 -9.527 13.962 1.00 72.54 O ATOM 1037 CB LEU A 64 -6.273 -6.830 12.303 1.00 54.43 C ATOM 1038 CG LEU A 64 -7.109 -5.793 11.550 1.00 71.13 C ATOM 1039 CD1 LEU A 64 -6.518 -5.527 10.174 1.00 62.53 C ATOM 1040 CD2 LEU A 64 -8.554 -6.256 11.432 1.00 5.42 C ATOM 0 H LEU A 64 -6.165 -5.307 14.275 1.00 72.23 H new ATOM 0 HA LEU A 64 -7.812 -7.576 13.605 1.00 23.23 H new ATOM 0 HB2 LEU A 64 -5.259 -6.444 12.408 1.00 54.43 H new ATOM 0 HB3 LEU A 64 -6.210 -7.730 11.691 1.00 54.43 H new ATOM 0 HG LEU A 64 -7.092 -4.861 12.116 1.00 71.13 H new ATOM 0 HD11 LEU A 64 -7.126 -4.787 9.654 1.00 62.53 H new ATOM 0 HD12 LEU A 64 -5.501 -5.150 10.282 1.00 62.53 H new ATOM 0 HD13 LEU A 64 -6.503 -6.453 9.599 1.00 62.53 H new ATOM 0 HD21 LEU A 64 -9.134 -5.506 10.894 1.00 5.42 H new ATOM 0 HD22 LEU A 64 -8.590 -7.201 10.890 1.00 5.42 H new ATOM 0 HD23 LEU A 64 -8.975 -6.393 12.428 1.00 5.42 H new ATOM 1052 N ASP A 65 -4.943 -7.993 15.068 1.00 72.14 N ATOM 1053 CA ASP A 65 -4.056 -8.977 15.677 1.00 1.15 C ATOM 1054 C ASP A 65 -4.856 -10.056 16.400 1.00 72.34 C ATOM 1055 O ASP A 65 -4.780 -11.242 16.074 1.00 74.12 O ATOM 1056 CB ASP A 65 -3.099 -8.295 16.656 1.00 44.45 C ATOM 1057 CG ASP A 65 -2.734 -9.187 17.827 1.00 54.43 C ATOM 1058 OD1 ASP A 65 -2.345 -10.349 17.589 1.00 32.02 O ATOM 1059 OD2 ASP A 65 -2.837 -8.722 18.981 1.00 53.54 O ATOM 0 H ASP A 65 -4.738 -7.026 15.321 1.00 72.14 H new ATOM 0 HA ASP A 65 -3.478 -9.449 14.883 1.00 1.15 H new ATOM 0 HB2 ASP A 65 -2.191 -8.004 16.128 1.00 44.45 H new ATOM 0 HB3 ASP A 65 -3.558 -7.380 17.030 1.00 44.45 H new ATOM 1064 N PRO A 66 -5.640 -9.640 17.404 1.00 35.02 N ATOM 1065 CA PRO A 66 -6.470 -10.556 18.193 1.00 62.32 C ATOM 1066 C PRO A 66 -7.634 -11.124 17.389 1.00 53.25 C ATOM 1067 O PRO A 66 -8.269 -12.096 17.798 1.00 3.40 O ATOM 1068 CB PRO A 66 -6.987 -9.674 19.332 1.00 73.12 C ATOM 1069 CG PRO A 66 -6.955 -8.289 18.784 1.00 70.22 C ATOM 1070 CD PRO A 66 -5.781 -8.243 17.846 1.00 4.41 C ATOM 0 HA PRO A 66 -5.907 -11.426 18.531 1.00 62.32 H new ATOM 0 HB2 PRO A 66 -7.997 -9.960 19.627 1.00 73.12 H new ATOM 0 HB3 PRO A 66 -6.359 -9.764 20.218 1.00 73.12 H new ATOM 0 HG2 PRO A 66 -7.882 -8.055 18.261 1.00 70.22 H new ATOM 0 HG3 PRO A 66 -6.846 -7.555 19.583 1.00 70.22 H new ATOM 0 HD2 PRO A 66 -5.964 -7.573 17.006 1.00 4.41 H new ATOM 0 HD3 PRO A 66 -4.881 -7.888 18.347 1.00 4.41 H new ATOM 1078 N MET A 67 -7.910 -10.511 16.242 1.00 43.22 N ATOM 1079 CA MET A 67 -8.997 -10.956 15.379 1.00 73.34 C ATOM 1080 C MET A 67 -8.547 -12.113 14.491 1.00 51.22 C ATOM 1081 O MET A 67 -9.371 -12.854 13.954 1.00 4.42 O ATOM 1082 CB MET A 67 -9.498 -9.799 14.514 1.00 55.21 C ATOM 1083 CG MET A 67 -10.879 -9.299 14.908 1.00 3.31 C ATOM 1084 SD MET A 67 -10.893 -8.502 16.526 1.00 61.24 S ATOM 1085 CE MET A 67 -12.197 -7.295 16.297 1.00 72.14 C ATOM 0 H MET A 67 -7.395 -9.704 15.889 1.00 43.22 H new ATOM 0 HA MET A 67 -9.812 -11.303 16.014 1.00 73.34 H new ATOM 0 HB2 MET A 67 -8.789 -8.974 14.580 1.00 55.21 H new ATOM 0 HB3 MET A 67 -9.520 -10.118 13.472 1.00 55.21 H new ATOM 0 HG2 MET A 67 -11.234 -8.594 14.157 1.00 3.31 H new ATOM 0 HG3 MET A 67 -11.577 -10.137 14.914 1.00 3.31 H new ATOM 0 HE1 MET A 67 -12.326 -6.721 17.214 1.00 72.14 H new ATOM 0 HE2 MET A 67 -11.931 -6.622 15.482 1.00 72.14 H new ATOM 0 HE3 MET A 67 -13.128 -7.807 16.055 1.00 72.14 H new ATOM 1095 N VAL A 68 -7.235 -12.260 14.338 1.00 30.11 N ATOM 1096 CA VAL A 68 -6.676 -13.326 13.516 1.00 70.41 C ATOM 1097 C VAL A 68 -6.999 -14.698 14.099 1.00 1.34 C ATOM 1098 O VAL A 68 -7.620 -15.543 13.455 1.00 1.35 O ATOM 1099 CB VAL A 68 -5.148 -13.186 13.378 1.00 63.02 C ATOM 1100 CG1 VAL A 68 -4.503 -14.547 13.169 1.00 70.42 C ATOM 1101 CG2 VAL A 68 -4.801 -12.242 12.236 1.00 13.23 C ATOM 0 H VAL A 68 -6.539 -11.654 14.773 1.00 30.11 H new ATOM 0 HA VAL A 68 -7.132 -13.237 12.530 1.00 70.41 H new ATOM 0 HB VAL A 68 -4.755 -12.763 14.302 1.00 63.02 H new ATOM 0 HG11 VAL A 68 -3.424 -14.427 13.074 1.00 70.42 H new ATOM 0 HG12 VAL A 68 -4.723 -15.189 14.022 1.00 70.42 H new ATOM 0 HG13 VAL A 68 -4.899 -15.002 12.261 1.00 70.42 H new ATOM 0 HG21 VAL A 68 -3.718 -12.155 12.153 1.00 13.23 H new ATOM 0 HG22 VAL A 68 -5.206 -12.635 11.303 1.00 13.23 H new ATOM 0 HG23 VAL A 68 -5.230 -11.260 12.433 1.00 13.23 H new ATOM 1111 N PRO A 69 -6.567 -14.925 15.348 1.00 13.13 N ATOM 1112 CA PRO A 69 -6.800 -16.193 16.047 1.00 10.03 C ATOM 1113 C PRO A 69 -8.267 -16.392 16.413 1.00 61.14 C ATOM 1114 O PRO A 69 -8.636 -17.401 17.014 1.00 31.22 O ATOM 1115 CB PRO A 69 -5.947 -16.062 17.313 1.00 53.44 C ATOM 1116 CG PRO A 69 -5.830 -14.594 17.541 1.00 61.04 C ATOM 1117 CD PRO A 69 -5.820 -13.963 16.176 1.00 10.11 C ATOM 0 HA PRO A 69 -6.542 -17.053 15.429 1.00 10.03 H new ATOM 0 HB2 PRO A 69 -6.419 -16.558 18.161 1.00 53.44 H new ATOM 0 HB3 PRO A 69 -4.967 -16.521 17.180 1.00 53.44 H new ATOM 0 HG2 PRO A 69 -6.665 -14.224 18.136 1.00 61.04 H new ATOM 0 HG3 PRO A 69 -4.918 -14.355 18.088 1.00 61.04 H new ATOM 0 HD2 PRO A 69 -6.298 -12.983 16.183 1.00 10.11 H new ATOM 0 HD3 PRO A 69 -4.804 -13.820 15.807 1.00 10.11 H new ATOM 1125 N THR A 70 -9.101 -15.425 16.044 1.00 23.41 N ATOM 1126 CA THR A 70 -10.528 -15.495 16.333 1.00 63.11 C ATOM 1127 C THR A 70 -11.329 -14.636 15.361 1.00 63.31 C ATOM 1128 O THR A 70 -12.073 -13.747 15.770 1.00 34.34 O ATOM 1129 CB THR A 70 -10.832 -15.040 17.772 1.00 22.24 C ATOM 1130 OG1 THR A 70 -9.736 -15.370 18.633 1.00 31.33 O ATOM 1131 CG2 THR A 70 -12.104 -15.695 18.289 1.00 14.34 C ATOM 0 H THR A 70 -8.813 -14.584 15.544 1.00 23.41 H new ATOM 0 HA THR A 70 -10.823 -16.538 16.219 1.00 63.11 H new ATOM 0 HB THR A 70 -10.975 -13.959 17.765 1.00 22.24 H new ATOM 0 HG1 THR A 70 -9.937 -15.076 19.546 1.00 31.33 H new ATOM 0 HG21 THR A 70 -12.299 -15.359 19.307 1.00 14.34 H new ATOM 0 HG22 THR A 70 -12.942 -15.418 17.649 1.00 14.34 H new ATOM 0 HG23 THR A 70 -11.984 -16.778 18.282 1.00 14.34 H new ATOM 1139 N GLY A 71 -11.170 -14.909 14.068 1.00 3.23 N ATOM 1140 CA GLY A 71 -11.885 -14.152 13.058 1.00 52.33 C ATOM 1141 C GLY A 71 -12.022 -14.912 11.754 1.00 42.15 C ATOM 1142 O GLY A 71 -11.632 -16.076 11.662 1.00 73.02 O ATOM 0 H GLY A 71 -10.559 -15.640 13.704 1.00 3.23 H new ATOM 0 HA2 GLY A 71 -12.876 -13.898 13.433 1.00 52.33 H new ATOM 0 HA3 GLY A 71 -11.363 -13.213 12.875 1.00 52.33 H new ATOM 1146 N SER A 72 -12.578 -14.253 10.742 1.00 1.02 N ATOM 1147 CA SER A 72 -12.770 -14.876 9.437 1.00 13.14 C ATOM 1148 C SER A 72 -11.513 -14.749 8.584 1.00 42.32 C ATOM 1149 O SER A 72 -10.538 -14.115 8.988 1.00 15.40 O ATOM 1150 CB SER A 72 -13.958 -14.237 8.714 1.00 2.12 C ATOM 1151 OG SER A 72 -13.566 -13.059 8.032 1.00 61.13 O ATOM 0 H SER A 72 -12.903 -13.288 10.801 1.00 1.02 H new ATOM 0 HA SER A 72 -12.975 -15.935 9.594 1.00 13.14 H new ATOM 0 HB2 SER A 72 -14.381 -14.948 8.004 1.00 2.12 H new ATOM 0 HB3 SER A 72 -14.742 -14.001 9.434 1.00 2.12 H new ATOM 0 HG SER A 72 -14.342 -12.671 7.577 1.00 61.13 H new ATOM 1157 N GLU A 73 -11.543 -15.356 7.402 1.00 63.02 N ATOM 1158 CA GLU A 73 -10.405 -15.311 6.492 1.00 24.32 C ATOM 1159 C GLU A 73 -10.287 -13.940 5.833 1.00 73.24 C ATOM 1160 O GLU A 73 -9.188 -13.466 5.552 1.00 2.43 O ATOM 1161 CB GLU A 73 -10.537 -16.395 5.420 1.00 52.11 C ATOM 1162 CG GLU A 73 -10.225 -17.793 5.925 1.00 64.34 C ATOM 1163 CD GLU A 73 -10.396 -18.853 4.853 1.00 52.21 C ATOM 1164 OE1 GLU A 73 -11.334 -18.728 4.039 1.00 10.04 O ATOM 1165 OE2 GLU A 73 -9.590 -19.807 4.829 1.00 12.22 O ATOM 0 H GLU A 73 -12.342 -15.884 7.052 1.00 63.02 H new ATOM 0 HA GLU A 73 -9.501 -15.493 7.074 1.00 24.32 H new ATOM 0 HB2 GLU A 73 -11.552 -16.380 5.023 1.00 52.11 H new ATOM 0 HB3 GLU A 73 -9.868 -16.159 4.593 1.00 52.11 H new ATOM 0 HG2 GLU A 73 -9.201 -17.820 6.298 1.00 64.34 H new ATOM 0 HG3 GLU A 73 -10.877 -18.025 6.767 1.00 64.34 H new ATOM 1172 N ASN A 74 -11.431 -13.308 5.589 1.00 74.45 N ATOM 1173 CA ASN A 74 -11.459 -11.992 4.962 1.00 61.11 C ATOM 1174 C ASN A 74 -10.624 -10.993 5.758 1.00 54.23 C ATOM 1175 O ASN A 74 -10.155 -9.990 5.219 1.00 30.31 O ATOM 1176 CB ASN A 74 -12.899 -11.490 4.843 1.00 30.41 C ATOM 1177 CG ASN A 74 -13.670 -12.199 3.746 1.00 64.04 C ATOM 1178 OD1 ASN A 74 -13.583 -13.419 3.600 1.00 42.13 O ATOM 1179 ND2 ASN A 74 -14.428 -11.436 2.967 1.00 34.14 N ATOM 0 H ASN A 74 -12.351 -13.686 5.816 1.00 74.45 H new ATOM 0 HA ASN A 74 -11.031 -12.084 3.964 1.00 61.11 H new ATOM 0 HB2 ASN A 74 -13.411 -11.634 5.794 1.00 30.41 H new ATOM 0 HB3 ASN A 74 -12.892 -10.418 4.644 1.00 30.41 H new ATOM 0 HD21 ASN A 74 -14.968 -11.857 2.211 1.00 34.14 H new ATOM 0 HD22 ASN A 74 -14.470 -10.429 3.125 1.00 34.14 H new ATOM 1186 N LEU A 75 -10.444 -11.274 7.044 1.00 61.30 N ATOM 1187 CA LEU A 75 -9.666 -10.401 7.916 1.00 62.21 C ATOM 1188 C LEU A 75 -8.175 -10.702 7.797 1.00 31.12 C ATOM 1189 O LEU A 75 -7.348 -9.790 7.753 1.00 21.41 O ATOM 1190 CB LEU A 75 -10.117 -10.564 9.368 1.00 61.22 C ATOM 1191 CG LEU A 75 -9.437 -9.651 10.389 1.00 71.12 C ATOM 1192 CD1 LEU A 75 -10.466 -9.033 11.322 1.00 33.12 C ATOM 1193 CD2 LEU A 75 -8.391 -10.422 11.181 1.00 30.11 C ATOM 0 H LEU A 75 -10.826 -12.099 7.506 1.00 61.30 H new ATOM 0 HA LEU A 75 -9.836 -9.371 7.603 1.00 62.21 H new ATOM 0 HB2 LEU A 75 -11.192 -10.391 9.415 1.00 61.22 H new ATOM 0 HB3 LEU A 75 -9.947 -11.599 9.666 1.00 61.22 H new ATOM 0 HG LEU A 75 -8.936 -8.846 9.851 1.00 71.12 H new ATOM 0 HD11 LEU A 75 -9.963 -8.387 12.041 1.00 33.12 H new ATOM 0 HD12 LEU A 75 -11.177 -8.445 10.741 1.00 33.12 H new ATOM 0 HD13 LEU A 75 -10.997 -9.823 11.853 1.00 33.12 H new ATOM 0 HD21 LEU A 75 -7.917 -9.756 11.903 1.00 30.11 H new ATOM 0 HD22 LEU A 75 -8.869 -11.248 11.708 1.00 30.11 H new ATOM 0 HD23 LEU A 75 -7.636 -10.815 10.500 1.00 30.11 H new ATOM 1205 N LYS A 76 -7.838 -11.986 7.745 1.00 5.12 N ATOM 1206 CA LYS A 76 -6.448 -12.409 7.628 1.00 41.03 C ATOM 1207 C LYS A 76 -5.799 -11.807 6.386 1.00 64.44 C ATOM 1208 O LYS A 76 -4.612 -11.482 6.390 1.00 52.25 O ATOM 1209 CB LYS A 76 -6.360 -13.935 7.574 1.00 23.44 C ATOM 1210 CG LYS A 76 -6.105 -14.578 8.926 1.00 72.40 C ATOM 1211 CD LYS A 76 -6.649 -15.996 8.981 1.00 2.14 C ATOM 1212 CE LYS A 76 -7.415 -16.251 10.270 1.00 12.42 C ATOM 1213 NZ LYS A 76 -7.760 -17.689 10.436 1.00 32.30 N ATOM 0 H LYS A 76 -8.510 -12.753 7.782 1.00 5.12 H new ATOM 0 HA LYS A 76 -5.911 -12.052 8.507 1.00 41.03 H new ATOM 0 HB2 LYS A 76 -7.289 -14.330 7.163 1.00 23.44 H new ATOM 0 HB3 LYS A 76 -5.562 -14.220 6.889 1.00 23.44 H new ATOM 0 HG2 LYS A 76 -5.034 -14.590 9.128 1.00 72.40 H new ATOM 0 HG3 LYS A 76 -6.570 -13.978 9.709 1.00 72.40 H new ATOM 0 HD2 LYS A 76 -7.304 -16.168 8.127 1.00 2.14 H new ATOM 0 HD3 LYS A 76 -5.826 -16.706 8.900 1.00 2.14 H new ATOM 0 HE2 LYS A 76 -6.817 -15.921 11.119 1.00 12.42 H new ATOM 0 HE3 LYS A 76 -8.328 -15.656 10.273 1.00 12.42 H new ATOM 0 HZ1 LYS A 76 -8.281 -17.820 11.326 1.00 32.30 H new ATOM 0 HZ2 LYS A 76 -8.352 -17.998 9.639 1.00 32.30 H new ATOM 0 HZ3 LYS A 76 -6.888 -18.255 10.459 1.00 32.30 H new ATOM 1227 N SER A 77 -6.586 -11.662 5.324 1.00 24.10 N ATOM 1228 CA SER A 77 -6.087 -11.102 4.073 1.00 22.31 C ATOM 1229 C SER A 77 -5.664 -9.648 4.259 1.00 14.25 C ATOM 1230 O SER A 77 -4.596 -9.236 3.806 1.00 62.24 O ATOM 1231 CB SER A 77 -7.157 -11.199 2.984 1.00 43.32 C ATOM 1232 OG SER A 77 -6.885 -12.270 2.096 1.00 40.14 O ATOM 0 H SER A 77 -7.571 -11.925 5.305 1.00 24.10 H new ATOM 0 HA SER A 77 -5.214 -11.679 3.767 1.00 22.31 H new ATOM 0 HB2 SER A 77 -8.135 -11.342 3.443 1.00 43.32 H new ATOM 0 HB3 SER A 77 -7.200 -10.263 2.427 1.00 43.32 H new ATOM 0 HG SER A 77 -7.584 -12.312 1.410 1.00 40.14 H new ATOM 1238 N LEU A 78 -6.510 -8.874 4.931 1.00 73.31 N ATOM 1239 CA LEU A 78 -6.227 -7.466 5.178 1.00 3.54 C ATOM 1240 C LEU A 78 -5.098 -7.307 6.192 1.00 13.25 C ATOM 1241 O LEU A 78 -4.194 -6.492 6.008 1.00 25.31 O ATOM 1242 CB LEU A 78 -7.483 -6.752 5.681 1.00 50.00 C ATOM 1243 CG LEU A 78 -7.306 -5.290 6.092 1.00 31.14 C ATOM 1244 CD1 LEU A 78 -6.817 -4.460 4.915 1.00 62.30 C ATOM 1245 CD2 LEU A 78 -8.611 -4.728 6.638 1.00 41.25 C ATOM 0 H LEU A 78 -7.398 -9.199 5.314 1.00 73.31 H new ATOM 0 HA LEU A 78 -5.913 -7.015 4.237 1.00 3.54 H new ATOM 0 HB2 LEU A 78 -8.241 -6.799 4.899 1.00 50.00 H new ATOM 0 HB3 LEU A 78 -7.872 -7.304 6.536 1.00 50.00 H new ATOM 0 HG LEU A 78 -6.555 -5.242 6.880 1.00 31.14 H new ATOM 0 HD11 LEU A 78 -6.697 -3.422 5.226 1.00 62.30 H new ATOM 0 HD12 LEU A 78 -5.859 -4.848 4.569 1.00 62.30 H new ATOM 0 HD13 LEU A 78 -7.544 -4.514 4.105 1.00 62.30 H new ATOM 0 HD21 LEU A 78 -8.467 -3.687 6.926 1.00 41.25 H new ATOM 0 HD22 LEU A 78 -9.383 -4.789 5.871 1.00 41.25 H new ATOM 0 HD23 LEU A 78 -8.920 -5.306 7.509 1.00 41.25 H new ATOM 1257 N PHE A 79 -5.157 -8.093 7.262 1.00 43.30 N ATOM 1258 CA PHE A 79 -4.138 -8.041 8.305 1.00 54.12 C ATOM 1259 C PHE A 79 -2.740 -8.160 7.706 1.00 11.10 C ATOM 1260 O PHE A 79 -1.833 -7.412 8.069 1.00 42.24 O ATOM 1261 CB PHE A 79 -4.366 -9.159 9.325 1.00 51.44 C ATOM 1262 CG PHE A 79 -3.458 -9.075 10.519 1.00 42.21 C ATOM 1263 CD1 PHE A 79 -3.399 -7.919 11.280 1.00 21.24 C ATOM 1264 CD2 PHE A 79 -2.664 -10.151 10.879 1.00 25.03 C ATOM 1265 CE1 PHE A 79 -2.565 -7.838 12.380 1.00 72.23 C ATOM 1266 CE2 PHE A 79 -1.828 -10.077 11.977 1.00 13.10 C ATOM 1267 CZ PHE A 79 -1.778 -8.918 12.728 1.00 4.31 C ATOM 0 H PHE A 79 -5.899 -8.773 7.430 1.00 43.30 H new ATOM 0 HA PHE A 79 -4.217 -7.077 8.808 1.00 54.12 H new ATOM 0 HB2 PHE A 79 -5.402 -9.126 9.663 1.00 51.44 H new ATOM 0 HB3 PHE A 79 -4.221 -10.122 8.835 1.00 51.44 H new ATOM 0 HD1 PHE A 79 -4.012 -7.071 11.011 1.00 21.24 H new ATOM 0 HD2 PHE A 79 -2.698 -11.059 10.295 1.00 25.03 H new ATOM 0 HE1 PHE A 79 -2.529 -6.932 12.966 1.00 72.23 H new ATOM 0 HE2 PHE A 79 -1.215 -10.924 12.248 1.00 13.10 H new ATOM 0 HZ PHE A 79 -1.124 -8.857 13.586 1.00 4.31 H new ATOM 1277 N ASN A 80 -2.574 -9.106 6.788 1.00 72.14 N ATOM 1278 CA ASN A 80 -1.287 -9.324 6.139 1.00 4.14 C ATOM 1279 C ASN A 80 -0.835 -8.073 5.393 1.00 5.43 C ATOM 1280 O ASN A 80 0.295 -7.609 5.560 1.00 33.30 O ATOM 1281 CB ASN A 80 -1.373 -10.505 5.171 1.00 71.25 C ATOM 1282 CG ASN A 80 -1.518 -11.832 5.889 1.00 33.44 C ATOM 1283 OD1 ASN A 80 -1.439 -11.899 7.116 1.00 11.23 O ATOM 1284 ND2 ASN A 80 -1.731 -12.898 5.127 1.00 65.24 N ATOM 0 H ASN A 80 -3.315 -9.734 6.477 1.00 72.14 H new ATOM 0 HA ASN A 80 -0.553 -9.550 6.912 1.00 4.14 H new ATOM 0 HB2 ASN A 80 -2.222 -10.362 4.503 1.00 71.25 H new ATOM 0 HB3 ASN A 80 -0.478 -10.527 4.549 1.00 71.25 H new ATOM 0 HD21 ASN A 80 -1.836 -13.818 5.555 1.00 65.24 H new ATOM 0 HD22 ASN A 80 -1.790 -12.797 4.114 1.00 65.24 H new ATOM 1291 N THR A 81 -1.724 -7.528 4.568 1.00 42.54 N ATOM 1292 CA THR A 81 -1.417 -6.331 3.796 1.00 71.22 C ATOM 1293 C THR A 81 -1.072 -5.160 4.709 1.00 45.14 C ATOM 1294 O THR A 81 -0.137 -4.405 4.441 1.00 74.02 O ATOM 1295 CB THR A 81 -2.596 -5.930 2.889 1.00 72.32 C ATOM 1296 OG1 THR A 81 -2.981 -7.038 2.067 1.00 13.23 O ATOM 1297 CG2 THR A 81 -2.224 -4.746 2.010 1.00 45.21 C ATOM 0 H THR A 81 -2.663 -7.897 4.418 1.00 42.54 H new ATOM 0 HA THR A 81 -0.554 -6.569 3.174 1.00 71.22 H new ATOM 0 HB THR A 81 -3.433 -5.642 3.525 1.00 72.32 H new ATOM 0 HG1 THR A 81 -3.467 -7.694 2.609 1.00 13.23 H new ATOM 0 HG21 THR A 81 -3.072 -4.481 1.378 1.00 45.21 H new ATOM 0 HG22 THR A 81 -1.960 -3.895 2.638 1.00 45.21 H new ATOM 0 HG23 THR A 81 -1.373 -5.012 1.382 1.00 45.21 H new ATOM 1305 N VAL A 82 -1.832 -5.016 5.790 1.00 12.43 N ATOM 1306 CA VAL A 82 -1.605 -3.937 6.745 1.00 51.33 C ATOM 1307 C VAL A 82 -0.189 -3.990 7.307 1.00 20.25 C ATOM 1308 O VAL A 82 0.462 -2.958 7.476 1.00 32.32 O ATOM 1309 CB VAL A 82 -2.611 -3.999 7.909 1.00 0.35 C ATOM 1310 CG1 VAL A 82 -2.359 -2.865 8.893 1.00 32.55 C ATOM 1311 CG2 VAL A 82 -4.038 -3.951 7.384 1.00 44.20 C ATOM 0 H VAL A 82 -2.610 -5.632 6.026 1.00 12.43 H new ATOM 0 HA VAL A 82 -1.743 -3.000 6.205 1.00 51.33 H new ATOM 0 HB VAL A 82 -2.473 -4.944 8.435 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -3.079 -2.925 9.709 1.00 32.55 H new ATOM 0 HG12 VAL A 82 -1.349 -2.949 9.294 1.00 32.55 H new ATOM 0 HG13 VAL A 82 -2.468 -1.909 8.382 1.00 32.55 H new ATOM 0 HG21 VAL A 82 -4.735 -3.996 8.221 1.00 44.20 H new ATOM 0 HG22 VAL A 82 -4.192 -3.023 6.833 1.00 44.20 H new ATOM 0 HG23 VAL A 82 -4.211 -4.799 6.722 1.00 44.20 H new ATOM 1321 N CYS A 83 0.282 -5.198 7.595 1.00 24.14 N ATOM 1322 CA CYS A 83 1.622 -5.385 8.140 1.00 62.42 C ATOM 1323 C CYS A 83 2.671 -4.749 7.234 1.00 63.41 C ATOM 1324 O CYS A 83 3.680 -4.226 7.707 1.00 21.13 O ATOM 1325 CB CYS A 83 1.919 -6.876 8.316 1.00 3.23 C ATOM 1326 SG CYS A 83 1.088 -7.631 9.732 1.00 31.34 S ATOM 0 H CYS A 83 -0.243 -6.062 7.460 1.00 24.14 H new ATOM 0 HA CYS A 83 1.664 -4.896 9.113 1.00 62.42 H new ATOM 0 HB2 CYS A 83 1.622 -7.404 7.410 1.00 3.23 H new ATOM 0 HB3 CYS A 83 2.995 -7.011 8.425 1.00 3.23 H new ATOM 0 HG CYS A 83 -0.180 -7.758 9.474 1.00 31.34 H new ATOM 1332 N VAL A 84 2.427 -4.799 5.929 1.00 41.11 N ATOM 1333 CA VAL A 84 3.351 -4.228 4.956 1.00 73.01 C ATOM 1334 C VAL A 84 3.191 -2.715 4.870 1.00 3.10 C ATOM 1335 O VAL A 84 4.165 -1.970 4.994 1.00 64.33 O ATOM 1336 CB VAL A 84 3.138 -4.836 3.556 1.00 30.11 C ATOM 1337 CG1 VAL A 84 4.078 -4.194 2.547 1.00 23.52 C ATOM 1338 CG2 VAL A 84 3.333 -6.344 3.595 1.00 13.03 C ATOM 0 H VAL A 84 1.597 -5.229 5.521 1.00 41.11 H new ATOM 0 HA VAL A 84 4.358 -4.466 5.298 1.00 73.01 H new ATOM 0 HB VAL A 84 2.114 -4.634 3.242 1.00 30.11 H new ATOM 0 HG11 VAL A 84 3.913 -4.636 1.564 1.00 23.52 H new ATOM 0 HG12 VAL A 84 3.885 -3.122 2.500 1.00 23.52 H new ATOM 0 HG13 VAL A 84 5.110 -4.363 2.853 1.00 23.52 H new ATOM 0 HG21 VAL A 84 3.179 -6.757 2.598 1.00 13.03 H new ATOM 0 HG22 VAL A 84 4.345 -6.571 3.929 1.00 13.03 H new ATOM 0 HG23 VAL A 84 2.615 -6.786 4.286 1.00 13.03 H new ATOM 1348 N ILE A 85 1.959 -2.266 4.659 1.00 42.35 N ATOM 1349 CA ILE A 85 1.673 -0.840 4.558 1.00 21.02 C ATOM 1350 C ILE A 85 2.364 -0.061 5.671 1.00 4.55 C ATOM 1351 O ILE A 85 2.957 0.992 5.430 1.00 21.13 O ATOM 1352 CB ILE A 85 0.159 -0.564 4.618 1.00 75.33 C ATOM 1353 CG1 ILE A 85 -0.559 -1.289 3.477 1.00 3.11 C ATOM 1354 CG2 ILE A 85 -0.110 0.932 4.554 1.00 20.32 C ATOM 1355 CD1 ILE A 85 -0.255 -0.715 2.111 1.00 33.11 C ATOM 0 H ILE A 85 1.143 -2.869 4.555 1.00 42.35 H new ATOM 0 HA ILE A 85 2.057 -0.509 3.593 1.00 21.02 H new ATOM 0 HB ILE A 85 -0.227 -0.942 5.564 1.00 75.33 H new ATOM 0 HG12 ILE A 85 -0.276 -2.342 3.491 1.00 3.11 H new ATOM 0 HG13 ILE A 85 -1.634 -1.246 3.649 1.00 3.11 H new ATOM 0 HG21 ILE A 85 -1.184 1.111 4.597 1.00 20.32 H new ATOM 0 HG22 ILE A 85 0.374 1.425 5.397 1.00 20.32 H new ATOM 0 HG23 ILE A 85 0.287 1.334 3.622 1.00 20.32 H new ATOM 0 HD11 ILE A 85 -0.797 -1.277 1.351 1.00 33.11 H new ATOM 0 HD12 ILE A 85 -0.564 0.330 2.078 1.00 33.11 H new ATOM 0 HD13 ILE A 85 0.816 -0.783 1.918 1.00 33.11 H new ATOM 1367 N TRP A 86 2.286 -0.584 6.889 1.00 65.14 N ATOM 1368 CA TRP A 86 2.907 0.062 8.040 1.00 32.52 C ATOM 1369 C TRP A 86 4.419 0.154 7.863 1.00 53.41 C ATOM 1370 O TRP A 86 5.016 1.208 8.091 1.00 34.50 O ATOM 1371 CB TRP A 86 2.577 -0.706 9.321 1.00 10.02 C ATOM 1372 CG TRP A 86 3.149 -0.077 10.555 1.00 44.14 C ATOM 1373 CD1 TRP A 86 2.510 0.768 11.417 1.00 75.10 C ATOM 1374 CD2 TRP A 86 4.478 -0.241 11.063 1.00 70.32 C ATOM 1375 NE1 TRP A 86 3.361 1.139 12.429 1.00 22.34 N ATOM 1376 CE2 TRP A 86 4.574 0.532 12.236 1.00 12.13 C ATOM 1377 CE3 TRP A 86 5.595 -0.968 10.643 1.00 75.32 C ATOM 1378 CZ2 TRP A 86 5.743 0.599 12.990 1.00 13.12 C ATOM 1379 CZ3 TRP A 86 6.754 -0.901 11.392 1.00 31.14 C ATOM 1380 CH2 TRP A 86 6.820 -0.123 12.555 1.00 0.13 C ATOM 0 H TRP A 86 1.799 -1.454 7.106 1.00 65.14 H new ATOM 0 HA TRP A 86 2.507 1.073 8.117 1.00 32.52 H new ATOM 0 HB2 TRP A 86 1.494 -0.775 9.426 1.00 10.02 H new ATOM 0 HB3 TRP A 86 2.955 -1.725 9.233 1.00 10.02 H new ATOM 0 HD1 TRP A 86 1.486 1.096 11.317 1.00 75.10 H new ATOM 0 HE1 TRP A 86 3.128 1.765 13.200 1.00 22.34 H new ATOM 0 HE3 TRP A 86 5.553 -1.572 9.748 1.00 75.32 H new ATOM 0 HZ2 TRP A 86 5.797 1.200 13.886 1.00 13.12 H new ATOM 0 HZ3 TRP A 86 7.624 -1.458 11.076 1.00 31.14 H new ATOM 0 HH2 TRP A 86 7.740 -0.093 13.120 1.00 0.13 H new ATOM 1391 N CYS A 87 5.030 -0.952 7.456 1.00 2.41 N ATOM 1392 CA CYS A 87 6.474 -0.995 7.249 1.00 10.55 C ATOM 1393 C CYS A 87 6.924 0.126 6.319 1.00 53.11 C ATOM 1394 O CYS A 87 7.895 0.829 6.601 1.00 1.21 O ATOM 1395 CB CYS A 87 6.887 -2.350 6.673 1.00 41.14 C ATOM 1396 SG CYS A 87 7.211 -3.617 7.921 1.00 0.35 S ATOM 0 H CYS A 87 4.549 -1.831 7.263 1.00 2.41 H new ATOM 0 HA CYS A 87 6.959 -0.856 8.215 1.00 10.55 H new ATOM 0 HB2 CYS A 87 6.100 -2.704 6.007 1.00 41.14 H new ATOM 0 HB3 CYS A 87 7.782 -2.217 6.066 1.00 41.14 H new ATOM 0 HG CYS A 87 7.551 -4.727 7.335 1.00 0.35 H new ATOM 1402 N ILE A 88 6.212 0.288 5.208 1.00 62.41 N ATOM 1403 CA ILE A 88 6.539 1.323 4.235 1.00 11.03 C ATOM 1404 C ILE A 88 6.697 2.681 4.911 1.00 73.23 C ATOM 1405 O ILE A 88 7.511 3.504 4.491 1.00 23.20 O ATOM 1406 CB ILE A 88 5.459 1.428 3.142 1.00 63.12 C ATOM 1407 CG1 ILE A 88 5.314 0.093 2.408 1.00 44.22 C ATOM 1408 CG2 ILE A 88 5.803 2.542 2.164 1.00 12.32 C ATOM 1409 CD1 ILE A 88 3.974 -0.080 1.728 1.00 11.10 C ATOM 0 H ILE A 88 5.405 -0.284 4.960 1.00 62.41 H new ATOM 0 HA ILE A 88 7.484 1.037 3.774 1.00 11.03 H new ATOM 0 HB ILE A 88 4.506 1.667 3.614 1.00 63.12 H new ATOM 0 HG12 ILE A 88 6.104 0.010 1.662 1.00 44.22 H new ATOM 0 HG13 ILE A 88 5.460 -0.721 3.118 1.00 44.22 H new ATOM 0 HG21 ILE A 88 5.031 2.604 1.397 1.00 12.32 H new ATOM 0 HG22 ILE A 88 5.861 3.490 2.698 1.00 12.32 H new ATOM 0 HG23 ILE A 88 6.764 2.330 1.695 1.00 12.32 H new ATOM 0 HD11 ILE A 88 3.942 -1.048 1.228 1.00 11.10 H new ATOM 0 HD12 ILE A 88 3.179 -0.029 2.472 1.00 11.10 H new ATOM 0 HD13 ILE A 88 3.834 0.713 0.993 1.00 11.10 H new ATOM 1421 N HIS A 89 5.913 2.908 5.960 1.00 44.52 N ATOM 1422 CA HIS A 89 5.967 4.167 6.697 1.00 75.55 C ATOM 1423 C HIS A 89 7.127 4.165 7.689 1.00 52.01 C ATOM 1424 O HIS A 89 7.739 5.222 7.846 1.00 75.40 O ATOM 1425 CB HIS A 89 4.650 4.407 7.435 1.00 1.32 C ATOM 1426 CG HIS A 89 3.479 4.603 6.522 1.00 34.13 C ATOM 1427 ND1 HIS A 89 3.396 5.639 5.615 1.00 23.31 N ATOM 1428 CD2 HIS A 89 2.339 3.888 6.378 1.00 31.13 C ATOM 1429 CE1 HIS A 89 2.256 5.552 4.955 1.00 55.13 C ATOM 1430 NE2 HIS A 89 1.596 4.497 5.398 1.00 30.33 N ATOM 0 H HIS A 89 5.233 2.238 6.319 1.00 44.52 H new ATOM 0 HA HIS A 89 6.125 4.973 5.981 1.00 75.55 H new ATOM 0 HB2 HIS A 89 4.451 3.560 8.091 1.00 1.32 H new ATOM 0 HB3 HIS A 89 4.755 5.285 8.072 1.00 1.32 H new ATOM 0 HD2 HIS A 89 2.065 3.002 6.932 1.00 31.13 H new ATOM 0 HE1 HIS A 89 1.920 6.229 4.183 1.00 55.13 H new ATOM 0 HE2 HIS A 89 0.683 4.186 5.066 1.00 30.33 H new ATOM 1438 N ALA A 90 7.434 3.047 8.339 1.00 42.10 N ATOM 1439 CA ALA A 90 8.534 2.997 9.294 1.00 4.52 C ATOM 1440 C ALA A 90 9.862 2.743 8.589 1.00 1.02 C ATOM 1441 O ALA A 90 10.828 2.300 9.208 1.00 25.51 O ATOM 1442 CB ALA A 90 8.276 1.923 10.340 1.00 52.00 C ATOM 0 H ALA A 90 6.937 2.164 8.222 1.00 42.10 H new ATOM 0 HA ALA A 90 8.596 3.965 9.791 1.00 4.52 H new ATOM 0 HB1 ALA A 90 9.105 1.897 11.047 1.00 52.00 H new ATOM 0 HB2 ALA A 90 7.352 2.149 10.873 1.00 52.00 H new ATOM 0 HB3 ALA A 90 8.185 0.953 9.851 1.00 52.00 H new ATOM 1448 N GLU A 91 9.902 3.027 7.290 1.00 34.15 N ATOM 1449 CA GLU A 91 11.112 2.828 6.503 1.00 41.03 C ATOM 1450 C GLU A 91 11.526 1.358 6.504 1.00 4.43 C ATOM 1451 O GLU A 91 12.658 1.022 6.157 1.00 52.23 O ATOM 1452 CB GLU A 91 12.251 3.690 7.049 1.00 44.44 C ATOM 1453 CG GLU A 91 12.161 5.150 6.636 1.00 22.21 C ATOM 1454 CD GLU A 91 11.608 6.035 7.737 1.00 71.33 C ATOM 1455 OE1 GLU A 91 12.118 5.954 8.874 1.00 54.33 O ATOM 1456 OE2 GLU A 91 10.664 6.805 7.461 1.00 43.01 O ATOM 0 H GLU A 91 9.111 3.395 6.762 1.00 34.15 H new ATOM 0 HA GLU A 91 10.900 3.128 5.477 1.00 41.03 H new ATOM 0 HB2 GLU A 91 12.253 3.628 8.137 1.00 44.44 H new ATOM 0 HB3 GLU A 91 13.201 3.282 6.705 1.00 44.44 H new ATOM 0 HG2 GLU A 91 13.152 5.505 6.353 1.00 22.21 H new ATOM 0 HG3 GLU A 91 11.527 5.236 5.753 1.00 22.21 H new ATOM 1463 N GLU A 92 10.601 0.490 6.898 1.00 53.02 N ATOM 1464 CA GLU A 92 10.870 -0.943 6.946 1.00 44.12 C ATOM 1465 C GLU A 92 10.673 -1.580 5.573 1.00 33.10 C ATOM 1466 O GLU A 92 9.658 -1.356 4.912 1.00 3.22 O ATOM 1467 CB GLU A 92 9.959 -1.621 7.971 1.00 60.20 C ATOM 1468 CG GLU A 92 10.375 -1.375 9.412 1.00 12.21 C ATOM 1469 CD GLU A 92 11.372 -2.401 9.915 1.00 32.42 C ATOM 1470 OE1 GLU A 92 11.981 -3.098 9.077 1.00 32.10 O ATOM 1471 OE2 GLU A 92 11.542 -2.507 11.148 1.00 23.21 O ATOM 0 H GLU A 92 9.659 0.753 7.189 1.00 53.02 H new ATOM 0 HA GLU A 92 11.909 -1.082 7.246 1.00 44.12 H new ATOM 0 HB2 GLU A 92 8.939 -1.264 7.830 1.00 60.20 H new ATOM 0 HB3 GLU A 92 9.950 -2.695 7.783 1.00 60.20 H new ATOM 0 HG2 GLU A 92 10.811 -0.379 9.495 1.00 12.21 H new ATOM 0 HG3 GLU A 92 9.491 -1.390 10.049 1.00 12.21 H new ATOM 1478 N LYS A 93 11.649 -2.375 5.150 1.00 5.21 N ATOM 1479 CA LYS A 93 11.585 -3.046 3.857 1.00 12.11 C ATOM 1480 C LYS A 93 11.628 -4.561 4.029 1.00 51.43 C ATOM 1481 O LYS A 93 12.370 -5.081 4.861 1.00 22.14 O ATOM 1482 CB LYS A 93 12.741 -2.590 2.965 1.00 42.33 C ATOM 1483 CG LYS A 93 12.607 -1.157 2.480 1.00 51.33 C ATOM 1484 CD LYS A 93 13.344 -0.189 3.390 1.00 40.04 C ATOM 1485 CE LYS A 93 14.329 0.670 2.609 1.00 34.33 C ATOM 1486 NZ LYS A 93 14.635 1.944 3.316 1.00 20.50 N ATOM 0 H LYS A 93 12.495 -2.571 5.685 1.00 5.21 H new ATOM 0 HA LYS A 93 10.641 -2.778 3.382 1.00 12.11 H new ATOM 0 HB2 LYS A 93 13.676 -2.692 3.516 1.00 42.33 H new ATOM 0 HB3 LYS A 93 12.806 -3.252 2.102 1.00 42.33 H new ATOM 0 HG2 LYS A 93 13.001 -1.077 1.467 1.00 51.33 H new ATOM 0 HG3 LYS A 93 11.553 -0.884 2.435 1.00 51.33 H new ATOM 0 HD2 LYS A 93 12.625 0.452 3.900 1.00 40.04 H new ATOM 0 HD3 LYS A 93 13.877 -0.746 4.161 1.00 40.04 H new ATOM 0 HE2 LYS A 93 15.252 0.112 2.451 1.00 34.33 H new ATOM 0 HE3 LYS A 93 13.917 0.891 1.624 1.00 34.33 H new ATOM 0 HZ1 LYS A 93 15.309 2.501 2.752 1.00 20.50 H new ATOM 0 HZ2 LYS A 93 13.758 2.489 3.445 1.00 20.50 H new ATOM 0 HZ3 LYS A 93 15.052 1.734 4.245 1.00 20.50 H new ATOM 1500 N VAL A 94 10.828 -5.265 3.233 1.00 51.31 N ATOM 1501 CA VAL A 94 10.777 -6.720 3.295 1.00 32.41 C ATOM 1502 C VAL A 94 10.827 -7.332 1.899 1.00 42.21 C ATOM 1503 O VAL A 94 10.539 -6.664 0.906 1.00 63.13 O ATOM 1504 CB VAL A 94 9.503 -7.208 4.011 1.00 52.53 C ATOM 1505 CG1 VAL A 94 9.408 -6.603 5.404 1.00 63.24 C ATOM 1506 CG2 VAL A 94 8.268 -6.868 3.189 1.00 34.24 C ATOM 0 H VAL A 94 10.207 -4.850 2.538 1.00 51.31 H new ATOM 0 HA VAL A 94 11.650 -7.043 3.862 1.00 32.41 H new ATOM 0 HB VAL A 94 9.557 -8.292 4.114 1.00 52.53 H new ATOM 0 HG11 VAL A 94 8.502 -6.959 5.894 1.00 63.24 H new ATOM 0 HG12 VAL A 94 10.278 -6.900 5.990 1.00 63.24 H new ATOM 0 HG13 VAL A 94 9.376 -5.516 5.327 1.00 63.24 H new ATOM 0 HG21 VAL A 94 7.377 -7.220 3.709 1.00 34.24 H new ATOM 0 HG22 VAL A 94 8.207 -5.788 3.054 1.00 34.24 H new ATOM 0 HG23 VAL A 94 8.335 -7.352 2.215 1.00 34.24 H new ATOM 1516 N LYS A 95 11.196 -8.607 1.831 1.00 13.12 N ATOM 1517 CA LYS A 95 11.283 -9.311 0.557 1.00 31.12 C ATOM 1518 C LYS A 95 9.936 -9.916 0.177 1.00 51.25 C ATOM 1519 O LYS A 95 9.504 -9.819 -0.972 1.00 55.14 O ATOM 1520 CB LYS A 95 12.346 -10.410 0.630 1.00 35.15 C ATOM 1521 CG LYS A 95 13.688 -9.998 0.052 1.00 62.14 C ATOM 1522 CD LYS A 95 14.756 -9.910 1.129 1.00 45.45 C ATOM 1523 CE LYS A 95 15.329 -11.279 1.459 1.00 73.13 C ATOM 1524 NZ LYS A 95 15.458 -11.487 2.928 1.00 55.23 N ATOM 0 H LYS A 95 11.440 -9.174 2.643 1.00 13.12 H new ATOM 0 HA LYS A 95 11.567 -8.590 -0.210 1.00 31.12 H new ATOM 0 HB2 LYS A 95 12.483 -10.703 1.671 1.00 35.15 H new ATOM 0 HB3 LYS A 95 11.985 -11.289 0.096 1.00 35.15 H new ATOM 0 HG2 LYS A 95 13.994 -10.717 -0.707 1.00 62.14 H new ATOM 0 HG3 LYS A 95 13.590 -9.033 -0.444 1.00 62.14 H new ATOM 0 HD2 LYS A 95 15.557 -9.250 0.796 1.00 45.45 H new ATOM 0 HD3 LYS A 95 14.331 -9.466 2.029 1.00 45.45 H new ATOM 0 HE2 LYS A 95 14.687 -12.053 1.038 1.00 73.13 H new ATOM 0 HE3 LYS A 95 16.307 -11.386 0.990 1.00 73.13 H new ATOM 0 HZ1 LYS A 95 15.852 -12.432 3.112 1.00 55.23 H new ATOM 0 HZ2 LYS A 95 16.091 -10.764 3.327 1.00 55.23 H new ATOM 0 HZ3 LYS A 95 14.521 -11.410 3.373 1.00 55.23 H new ATOM 1538 N ASP A 96 9.276 -10.538 1.148 1.00 71.14 N ATOM 1539 CA ASP A 96 7.976 -11.156 0.914 1.00 40.11 C ATOM 1540 C ASP A 96 6.996 -10.797 2.027 1.00 23.34 C ATOM 1541 O ASP A 96 7.400 -10.412 3.125 1.00 3.22 O ATOM 1542 CB ASP A 96 8.121 -12.675 0.815 1.00 33.12 C ATOM 1543 CG ASP A 96 8.840 -13.268 2.012 1.00 55.52 C ATOM 1544 OD1 ASP A 96 8.888 -12.599 3.066 1.00 41.12 O ATOM 1545 OD2 ASP A 96 9.352 -14.400 1.895 1.00 61.03 O ATOM 0 H ASP A 96 9.620 -10.628 2.104 1.00 71.14 H new ATOM 0 HA ASP A 96 7.583 -10.774 -0.028 1.00 40.11 H new ATOM 0 HB2 ASP A 96 7.133 -13.126 0.728 1.00 33.12 H new ATOM 0 HB3 ASP A 96 8.667 -12.926 -0.094 1.00 33.12 H new ATOM 1550 N THR A 97 5.705 -10.926 1.737 1.00 41.22 N ATOM 1551 CA THR A 97 4.668 -10.613 2.711 1.00 60.45 C ATOM 1552 C THR A 97 4.974 -11.247 4.062 1.00 10.11 C ATOM 1553 O THR A 97 5.005 -10.564 5.085 1.00 11.42 O ATOM 1554 CB THR A 97 3.285 -11.094 2.232 1.00 15.42 C ATOM 1555 OG1 THR A 97 2.917 -10.410 1.029 1.00 4.45 O ATOM 1556 CG2 THR A 97 2.228 -10.853 3.300 1.00 23.31 C ATOM 0 H THR A 97 5.353 -11.245 0.834 1.00 41.22 H new ATOM 0 HA THR A 97 4.651 -9.528 2.818 1.00 60.45 H new ATOM 0 HB THR A 97 3.346 -12.165 2.037 1.00 15.42 H new ATOM 0 HG1 THR A 97 2.441 -9.584 1.255 1.00 4.45 H new ATOM 0 HG21 THR A 97 1.260 -11.201 2.939 1.00 23.31 H new ATOM 0 HG22 THR A 97 2.495 -11.398 4.205 1.00 23.31 H new ATOM 0 HG23 THR A 97 2.171 -9.787 3.522 1.00 23.31 H new ATOM 1564 N GLU A 98 5.200 -12.558 4.059 1.00 13.32 N ATOM 1565 CA GLU A 98 5.504 -13.283 5.287 1.00 52.42 C ATOM 1566 C GLU A 98 6.623 -12.595 6.063 1.00 53.34 C ATOM 1567 O GLU A 98 6.659 -12.638 7.292 1.00 23.31 O ATOM 1568 CB GLU A 98 5.902 -14.725 4.968 1.00 32.34 C ATOM 1569 CG GLU A 98 4.793 -15.532 4.312 1.00 22.33 C ATOM 1570 CD GLU A 98 4.296 -16.663 5.192 1.00 62.12 C ATOM 1571 OE1 GLU A 98 3.853 -16.384 6.326 1.00 54.21 O ATOM 1572 OE2 GLU A 98 4.351 -17.829 4.745 1.00 1.35 O ATOM 0 H GLU A 98 5.178 -13.138 3.221 1.00 13.32 H new ATOM 0 HA GLU A 98 4.607 -13.289 5.906 1.00 52.42 H new ATOM 0 HB2 GLU A 98 6.771 -14.716 4.310 1.00 32.34 H new ATOM 0 HB3 GLU A 98 6.205 -15.222 5.890 1.00 32.34 H new ATOM 0 HG2 GLU A 98 3.961 -14.871 4.072 1.00 22.33 H new ATOM 0 HG3 GLU A 98 5.156 -15.942 3.370 1.00 22.33 H new ATOM 1579 N GLY A 99 7.536 -11.959 5.335 1.00 42.01 N ATOM 1580 CA GLY A 99 8.644 -11.271 5.970 1.00 50.33 C ATOM 1581 C GLY A 99 8.204 -10.024 6.712 1.00 32.41 C ATOM 1582 O GLY A 99 8.757 -9.690 7.760 1.00 20.11 O ATOM 0 H GLY A 99 7.528 -11.908 4.316 1.00 42.01 H new ATOM 0 HA2 GLY A 99 9.138 -11.949 6.666 1.00 50.33 H new ATOM 0 HA3 GLY A 99 9.380 -10.999 5.214 1.00 50.33 H new ATOM 1586 N ALA A 100 7.208 -9.334 6.168 1.00 73.32 N ATOM 1587 CA ALA A 100 6.693 -8.118 6.785 1.00 4.03 C ATOM 1588 C ALA A 100 5.906 -8.436 8.052 1.00 33.32 C ATOM 1589 O ALA A 100 5.775 -7.595 8.942 1.00 71.33 O ATOM 1590 CB ALA A 100 5.825 -7.352 5.800 1.00 52.23 C ATOM 0 H ALA A 100 6.741 -9.597 5.300 1.00 73.32 H new ATOM 0 HA ALA A 100 7.542 -7.494 7.063 1.00 4.03 H new ATOM 0 HB1 ALA A 100 5.448 -6.446 6.275 1.00 52.23 H new ATOM 0 HB2 ALA A 100 6.418 -7.083 4.926 1.00 52.23 H new ATOM 0 HB3 ALA A 100 4.986 -7.976 5.492 1.00 52.23 H new ATOM 1596 N LYS A 101 5.382 -9.655 8.127 1.00 43.34 N ATOM 1597 CA LYS A 101 4.608 -10.086 9.285 1.00 53.10 C ATOM 1598 C LYS A 101 5.521 -10.398 10.466 1.00 52.24 C ATOM 1599 O LYS A 101 5.112 -10.295 11.621 1.00 33.23 O ATOM 1600 CB LYS A 101 3.770 -11.318 8.934 1.00 2.32 C ATOM 1601 CG LYS A 101 2.376 -11.297 9.536 1.00 73.33 C ATOM 1602 CD LYS A 101 1.933 -12.686 9.964 1.00 3.02 C ATOM 1603 CE LYS A 101 0.649 -12.635 10.777 1.00 34.25 C ATOM 1604 NZ LYS A 101 -0.371 -13.593 10.266 1.00 63.13 N ATOM 0 H LYS A 101 5.480 -10.362 7.399 1.00 43.34 H new ATOM 0 HA LYS A 101 3.943 -9.271 9.570 1.00 53.10 H new ATOM 0 HB2 LYS A 101 3.687 -11.394 7.850 1.00 2.32 H new ATOM 0 HB3 LYS A 101 4.291 -12.212 9.277 1.00 2.32 H new ATOM 0 HG2 LYS A 101 2.360 -10.628 10.396 1.00 73.33 H new ATOM 0 HG3 LYS A 101 1.670 -10.897 8.808 1.00 73.33 H new ATOM 0 HD2 LYS A 101 1.782 -13.309 9.082 1.00 3.02 H new ATOM 0 HD3 LYS A 101 2.720 -13.155 10.554 1.00 3.02 H new ATOM 0 HE2 LYS A 101 0.870 -12.863 11.820 1.00 34.25 H new ATOM 0 HE3 LYS A 101 0.243 -11.624 10.751 1.00 34.25 H new ATOM 0 HZ1 LYS A 101 -1.231 -13.527 10.847 1.00 63.13 H new ATOM 0 HZ2 LYS A 101 -0.602 -13.361 9.279 1.00 63.13 H new ATOM 0 HZ3 LYS A 101 0.007 -14.561 10.315 1.00 63.13 H new ATOM 1618 N GLN A 102 6.760 -10.777 10.165 1.00 33.14 N ATOM 1619 CA GLN A 102 7.730 -11.103 11.204 1.00 73.31 C ATOM 1620 C GLN A 102 8.347 -9.837 11.789 1.00 34.11 C ATOM 1621 O GLN A 102 8.596 -9.756 12.992 1.00 23.54 O ATOM 1622 CB GLN A 102 8.828 -12.006 10.639 1.00 50.31 C ATOM 1623 CG GLN A 102 9.230 -13.134 11.574 1.00 23.14 C ATOM 1624 CD GLN A 102 10.124 -14.159 10.904 1.00 20.01 C ATOM 1625 OE1 GLN A 102 9.839 -15.356 10.924 1.00 54.02 O ATOM 1626 NE2 GLN A 102 11.214 -13.692 10.305 1.00 33.22 N ATOM 0 H GLN A 102 7.115 -10.866 9.213 1.00 33.14 H new ATOM 0 HA GLN A 102 7.208 -11.632 12.001 1.00 73.31 H new ATOM 0 HB2 GLN A 102 8.487 -12.432 9.695 1.00 50.31 H new ATOM 0 HB3 GLN A 102 9.706 -11.400 10.416 1.00 50.31 H new ATOM 0 HG2 GLN A 102 9.747 -12.717 12.438 1.00 23.14 H new ATOM 0 HG3 GLN A 102 8.333 -13.629 11.947 1.00 23.14 H new ATOM 0 HE21 GLN A 102 11.411 -12.691 10.313 1.00 33.22 H new ATOM 0 HE22 GLN A 102 11.854 -14.334 9.837 1.00 33.22 H new ATOM 1635 N ILE A 103 8.591 -8.853 10.931 1.00 1.23 N ATOM 1636 CA ILE A 103 9.178 -7.591 11.364 1.00 14.24 C ATOM 1637 C ILE A 103 8.172 -6.759 12.154 1.00 65.44 C ATOM 1638 O ILE A 103 8.510 -6.166 13.178 1.00 30.41 O ATOM 1639 CB ILE A 103 9.682 -6.765 10.167 1.00 45.44 C ATOM 1640 CG1 ILE A 103 10.729 -7.554 9.379 1.00 62.02 C ATOM 1641 CG2 ILE A 103 10.258 -5.438 10.643 1.00 61.43 C ATOM 1642 CD1 ILE A 103 11.242 -6.825 8.157 1.00 65.22 C ATOM 0 H ILE A 103 8.391 -8.905 9.932 1.00 1.23 H new ATOM 0 HA ILE A 103 10.024 -7.840 12.005 1.00 14.24 H new ATOM 0 HB ILE A 103 8.839 -6.557 9.508 1.00 45.44 H new ATOM 0 HG12 ILE A 103 11.569 -7.783 10.035 1.00 62.02 H new ATOM 0 HG13 ILE A 103 10.298 -8.506 9.070 1.00 62.02 H new ATOM 0 HG21 ILE A 103 10.610 -4.865 9.785 1.00 61.43 H new ATOM 0 HG22 ILE A 103 9.486 -4.872 11.164 1.00 61.43 H new ATOM 0 HG23 ILE A 103 11.091 -5.625 11.321 1.00 61.43 H new ATOM 0 HD11 ILE A 103 11.981 -7.444 7.648 1.00 65.22 H new ATOM 0 HD12 ILE A 103 10.412 -6.620 7.481 1.00 65.22 H new ATOM 0 HD13 ILE A 103 11.703 -5.885 8.461 1.00 65.22 H new ATOM 1654 N VAL A 104 6.935 -6.722 11.671 1.00 31.24 N ATOM 1655 CA VAL A 104 5.878 -5.966 12.333 1.00 10.11 C ATOM 1656 C VAL A 104 5.492 -6.608 13.660 1.00 74.31 C ATOM 1657 O VAL A 104 5.365 -5.928 14.678 1.00 12.42 O ATOM 1658 CB VAL A 104 4.625 -5.855 11.445 1.00 71.15 C ATOM 1659 CG1 VAL A 104 3.494 -5.173 12.198 1.00 52.44 C ATOM 1660 CG2 VAL A 104 4.948 -5.107 10.159 1.00 0.22 C ATOM 0 H VAL A 104 6.639 -7.207 10.824 1.00 31.24 H new ATOM 0 HA VAL A 104 6.272 -4.967 12.517 1.00 10.11 H new ATOM 0 HB VAL A 104 4.298 -6.861 11.182 1.00 71.15 H new ATOM 0 HG11 VAL A 104 2.618 -5.104 11.554 1.00 52.44 H new ATOM 0 HG12 VAL A 104 3.246 -5.754 13.087 1.00 52.44 H new ATOM 0 HG13 VAL A 104 3.806 -4.172 12.494 1.00 52.44 H new ATOM 0 HG21 VAL A 104 4.051 -5.038 9.543 1.00 0.22 H new ATOM 0 HG22 VAL A 104 5.301 -4.104 10.400 1.00 0.22 H new ATOM 0 HG23 VAL A 104 5.723 -5.643 9.611 1.00 0.22 H new ATOM 1670 N ARG A 105 5.305 -7.925 13.642 1.00 42.34 N ATOM 1671 CA ARG A 105 4.932 -8.660 14.844 1.00 40.52 C ATOM 1672 C ARG A 105 5.882 -8.340 15.994 1.00 62.42 C ATOM 1673 O ARG A 105 5.449 -7.980 17.089 1.00 61.13 O ATOM 1674 CB ARG A 105 4.935 -10.165 14.568 1.00 0.11 C ATOM 1675 CG ARG A 105 4.563 -11.007 15.779 1.00 42.23 C ATOM 1676 CD ARG A 105 3.397 -11.934 15.475 1.00 44.43 C ATOM 1677 NE ARG A 105 3.047 -12.766 16.622 1.00 74.21 N ATOM 1678 CZ ARG A 105 3.758 -13.817 17.013 1.00 43.34 C ATOM 1679 NH1 ARG A 105 4.855 -14.162 16.352 1.00 52.23 N ATOM 1680 NH2 ARG A 105 3.375 -14.525 18.068 1.00 50.54 N ATOM 0 H ARG A 105 5.406 -8.504 12.808 1.00 42.34 H new ATOM 0 HA ARG A 105 3.926 -8.352 15.131 1.00 40.52 H new ATOM 0 HB2 ARG A 105 4.237 -10.379 13.759 1.00 0.11 H new ATOM 0 HB3 ARG A 105 5.925 -10.460 14.221 1.00 0.11 H new ATOM 0 HG2 ARG A 105 5.425 -11.596 16.093 1.00 42.23 H new ATOM 0 HG3 ARG A 105 4.303 -10.354 16.612 1.00 42.23 H new ATOM 0 HD2 ARG A 105 2.531 -11.342 15.179 1.00 44.43 H new ATOM 0 HD3 ARG A 105 3.652 -12.572 14.629 1.00 44.43 H new ATOM 0 HE ARG A 105 2.210 -12.527 17.153 1.00 74.21 H new ATOM 0 HH11 ARG A 105 5.154 -13.620 15.542 1.00 52.23 H new ATOM 0 HH12 ARG A 105 5.400 -14.970 16.654 1.00 52.23 H new ATOM 0 HH21 ARG A 105 2.533 -14.262 18.580 1.00 50.54 H new ATOM 0 HH22 ARG A 105 3.923 -15.332 18.367 1.00 50.54 H new ATOM 1694 N ARG A 106 7.180 -8.476 15.738 1.00 53.34 N ATOM 1695 CA ARG A 106 8.190 -8.204 16.753 1.00 44.35 C ATOM 1696 C ARG A 106 7.996 -6.815 17.355 1.00 34.31 C ATOM 1697 O ARG A 106 8.263 -6.598 18.538 1.00 60.34 O ATOM 1698 CB ARG A 106 9.592 -8.316 16.148 1.00 21.53 C ATOM 1699 CG ARG A 106 10.703 -8.342 17.186 1.00 15.43 C ATOM 1700 CD ARG A 106 10.828 -9.711 17.835 1.00 32.23 C ATOM 1701 NE ARG A 106 11.413 -9.632 19.172 1.00 40.05 N ATOM 1702 CZ ARG A 106 12.698 -9.387 19.397 1.00 3.34 C ATOM 1703 NH1 ARG A 106 13.529 -9.197 18.381 1.00 24.03 N ATOM 1704 NH2 ARG A 106 13.155 -9.330 20.641 1.00 65.30 N ATOM 0 H ARG A 106 7.556 -8.773 14.837 1.00 53.34 H new ATOM 0 HA ARG A 106 8.081 -8.944 17.546 1.00 44.35 H new ATOM 0 HB2 ARG A 106 9.647 -9.223 15.546 1.00 21.53 H new ATOM 0 HB3 ARG A 106 9.756 -7.475 15.474 1.00 21.53 H new ATOM 0 HG2 ARG A 106 11.649 -8.074 16.715 1.00 15.43 H new ATOM 0 HG3 ARG A 106 10.504 -7.592 17.952 1.00 15.43 H new ATOM 0 HD2 ARG A 106 9.843 -10.174 17.897 1.00 32.23 H new ATOM 0 HD3 ARG A 106 11.444 -10.355 17.207 1.00 32.23 H new ATOM 0 HE ARG A 106 10.801 -9.773 19.976 1.00 40.05 H new ATOM 0 HH11 ARG A 106 13.181 -9.239 17.423 1.00 24.03 H new ATOM 0 HH12 ARG A 106 14.516 -9.009 18.558 1.00 24.03 H new ATOM 0 HH21 ARG A 106 12.519 -9.474 21.425 1.00 65.30 H new ATOM 0 HH22 ARG A 106 14.143 -9.142 20.813 1.00 65.30 H new ATOM 1718 N HIS A 107 7.528 -5.880 16.535 1.00 13.12 N ATOM 1719 CA HIS A 107 7.296 -4.512 16.987 1.00 3.14 C ATOM 1720 C HIS A 107 6.003 -4.419 17.792 1.00 32.02 C ATOM 1721 O HIS A 107 5.942 -3.556 18.669 1.00 45.53 O ATOM 1722 CB HIS A 107 7.236 -3.560 15.793 1.00 44.41 C ATOM 1723 CG HIS A 107 8.567 -3.327 15.146 1.00 3.12 C ATOM 1724 ND1 HIS A 107 9.701 -2.995 15.856 1.00 25.32 N ATOM 1725 CD2 HIS A 107 8.942 -3.380 13.846 1.00 14.42 C ATOM 1726 CE1 HIS A 107 10.716 -2.853 15.022 1.00 61.54 C ATOM 1727 NE2 HIS A 107 10.281 -3.083 13.796 1.00 53.21 N ATOM 0 H HIS A 107 7.302 -6.044 15.554 1.00 13.12 H new ATOM 0 HA HIS A 107 8.127 -4.222 17.630 1.00 3.14 H new ATOM 0 HB2 HIS A 107 6.546 -3.963 15.052 1.00 44.41 H new ATOM 0 HB3 HIS A 107 6.828 -2.604 16.121 1.00 44.41 H new ATOM 0 HD2 HIS A 107 8.306 -3.613 13.005 1.00 14.42 H new ATOM 0 HE1 HIS A 107 11.728 -2.593 15.296 1.00 61.54 H new ATOM 0 HE2 HIS A 107 10.848 -3.046 12.949 1.00 53.21 H new ATOM 1735 N LEU A 108 5.003 -5.253 17.530 1.00 44.34 N ATOM 1736 CA LEU A 108 3.748 -5.201 18.272 1.00 61.44 C ATOM 1737 C LEU A 108 3.901 -5.849 19.644 1.00 3.50 C ATOM 1738 O LEU A 108 3.411 -5.327 20.646 1.00 71.34 O ATOM 1739 CB LEU A 108 2.639 -5.902 17.485 1.00 62.54 C ATOM 1740 CG LEU A 108 2.181 -5.205 16.204 1.00 14.23 C ATOM 1741 CD1 LEU A 108 1.098 -6.018 15.512 1.00 15.30 C ATOM 1742 CD2 LEU A 108 1.681 -3.800 16.513 1.00 72.05 C ATOM 0 H LEU A 108 5.037 -5.974 16.809 1.00 44.34 H new ATOM 0 HA LEU A 108 3.479 -4.154 18.413 1.00 61.44 H new ATOM 0 HB2 LEU A 108 2.982 -6.904 17.227 1.00 62.54 H new ATOM 0 HB3 LEU A 108 1.775 -6.020 18.139 1.00 62.54 H new ATOM 0 HG LEU A 108 3.034 -5.127 15.530 1.00 14.23 H new ATOM 0 HD11 LEU A 108 0.784 -5.506 14.602 1.00 15.30 H new ATOM 0 HD12 LEU A 108 1.489 -7.003 15.258 1.00 15.30 H new ATOM 0 HD13 LEU A 108 0.243 -6.128 16.179 1.00 15.30 H new ATOM 0 HD21 LEU A 108 1.359 -3.317 15.590 1.00 72.05 H new ATOM 0 HD22 LEU A 108 0.841 -3.857 17.205 1.00 72.05 H new ATOM 0 HD23 LEU A 108 2.485 -3.219 16.965 1.00 72.05 H new