USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 744 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 14 LYS NZ :NH3+ 141:sc= 3.2 (180deg=1.67) USER MOD Set 1.2: A 144 GLN : amide:sc= -3.17! C(o=0.024!,f=-8.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.0066) USER MOD Single : A 20 TYR OH : rot 150:sc= 0 USER MOD Single : A 67 THR OG1 : rot -41:sc= 0.0126 USER MOD Single : A 73 LYS NZ :NH3+ 140:sc= 0.7 (180deg=-1.38!) USER MOD Single : A 79 SER OG : rot 130:sc= -0.0359 USER MOD Single : A 87 ASN : amide:sc= 1.11 K(o=1.1,f=-0.13) USER MOD Single : A 88 SER OG : rot 180:sc= 0.964 USER MOD Single : A 102 THR OG1 : rot 167:sc= 1.24 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -141:sc= -0.226 (180deg=-1.23) USER MOD Single : A 138 MET CE :methyl 152:sc= -0.177 (180deg=-0.647) USER MOD Single : A 141 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 0.246 4.934 13.072 1.00 72.22 N ATOM 57 CA VAL A 5 0.640 4.226 11.875 1.00 14.52 C ATOM 58 C VAL A 5 -0.229 4.656 10.697 1.00 42.31 C ATOM 59 O VAL A 5 -1.459 4.647 10.784 1.00 23.22 O ATOM 60 CB VAL A 5 0.540 2.706 12.096 1.00 1.40 C ATOM 61 CG1 VAL A 5 0.940 1.936 10.851 1.00 23.34 C ATOM 62 CG2 VAL A 5 1.372 2.287 13.298 1.00 2.24 C ATOM 0 HA VAL A 5 1.677 4.473 11.647 1.00 14.52 H new ATOM 0 HB VAL A 5 -0.502 2.463 12.303 1.00 1.40 H new ATOM 0 HG11 VAL A 5 0.858 0.866 11.043 1.00 23.34 H new ATOM 0 HG12 VAL A 5 0.281 2.209 10.027 1.00 23.34 H new ATOM 0 HG13 VAL A 5 1.969 2.179 10.588 1.00 23.34 H new ATOM 0 HG21 VAL A 5 1.290 1.209 13.440 1.00 2.24 H new ATOM 0 HG22 VAL A 5 2.416 2.552 13.128 1.00 2.24 H new ATOM 0 HG23 VAL A 5 1.008 2.799 14.189 1.00 2.24 H new ATOM 72 N VAL A 6 0.417 5.049 9.609 1.00 13.23 N ATOM 73 CA VAL A 6 -0.292 5.550 8.444 1.00 52.44 C ATOM 74 C VAL A 6 -0.768 4.405 7.560 1.00 22.52 C ATOM 75 O VAL A 6 0.008 3.528 7.171 1.00 44.34 O ATOM 76 CB VAL A 6 0.572 6.535 7.620 1.00 51.20 C ATOM 77 CG1 VAL A 6 0.806 7.822 8.400 1.00 22.32 C ATOM 78 CG2 VAL A 6 1.902 5.907 7.231 1.00 64.24 C ATOM 0 H VAL A 6 1.432 5.030 9.510 1.00 13.23 H new ATOM 0 HA VAL A 6 -1.161 6.095 8.812 1.00 52.44 H new ATOM 0 HB VAL A 6 0.028 6.772 6.706 1.00 51.20 H new ATOM 0 HG11 VAL A 6 1.415 8.502 7.805 1.00 22.32 H new ATOM 0 HG12 VAL A 6 -0.152 8.292 8.622 1.00 22.32 H new ATOM 0 HG13 VAL A 6 1.322 7.594 9.332 1.00 22.32 H new ATOM 0 HG21 VAL A 6 2.487 6.622 6.653 1.00 64.24 H new ATOM 0 HG22 VAL A 6 2.452 5.632 8.131 1.00 64.24 H new ATOM 0 HG23 VAL A 6 1.722 5.016 6.630 1.00 64.24 H new ATOM 88 N ARG A 7 -2.057 4.407 7.269 1.00 21.21 N ATOM 89 CA ARG A 7 -2.658 3.366 6.457 1.00 11.24 C ATOM 90 C ARG A 7 -3.723 3.953 5.536 1.00 10.22 C ATOM 91 O ARG A 7 -4.705 4.540 5.996 1.00 61.03 O ATOM 92 CB ARG A 7 -3.239 2.270 7.364 1.00 24.34 C ATOM 93 CG ARG A 7 -4.060 2.807 8.531 1.00 10.32 C ATOM 94 CD ARG A 7 -5.554 2.720 8.267 1.00 52.12 C ATOM 95 NE ARG A 7 -6.074 1.373 8.504 1.00 11.14 N ATOM 96 CZ ARG A 7 -7.024 0.797 7.766 1.00 31.22 C ATOM 97 NH1 ARG A 7 -7.504 1.414 6.691 1.00 2.20 N ATOM 98 NH2 ARG A 7 -7.492 -0.397 8.106 1.00 52.03 N ATOM 0 H ARG A 7 -2.710 5.123 7.586 1.00 21.21 H new ATOM 0 HA ARG A 7 -1.892 2.916 5.825 1.00 11.24 H new ATOM 0 HB2 ARG A 7 -3.866 1.610 6.764 1.00 24.34 H new ATOM 0 HB3 ARG A 7 -2.422 1.664 7.755 1.00 24.34 H new ATOM 0 HG2 ARG A 7 -3.818 2.244 9.433 1.00 10.32 H new ATOM 0 HG3 ARG A 7 -3.785 3.845 8.720 1.00 10.32 H new ATOM 0 HD2 ARG A 7 -6.078 3.429 8.908 1.00 52.12 H new ATOM 0 HD3 ARG A 7 -5.758 3.011 7.237 1.00 52.12 H new ATOM 0 HE ARG A 7 -5.685 0.841 9.283 1.00 11.14 H new ATOM 0 HH11 ARG A 7 -7.146 2.332 6.427 1.00 2.20 H new ATOM 0 HH12 ARG A 7 -8.230 0.970 6.130 1.00 2.20 H new ATOM 0 HH21 ARG A 7 -7.125 -0.873 8.930 1.00 52.03 H new ATOM 0 HH22 ARG A 7 -8.219 -0.839 7.543 1.00 52.03 H new ATOM 112 N ASP A 8 -3.509 3.829 4.236 1.00 12.23 N ATOM 113 CA ASP A 8 -4.487 4.278 3.254 1.00 73.42 C ATOM 114 C ASP A 8 -4.771 3.141 2.277 1.00 14.03 C ATOM 115 O ASP A 8 -4.071 2.124 2.293 1.00 32.04 O ATOM 116 CB ASP A 8 -3.979 5.526 2.522 1.00 35.42 C ATOM 117 CG ASP A 8 -5.071 6.237 1.749 1.00 32.01 C ATOM 118 OD1 ASP A 8 -5.804 7.053 2.354 1.00 45.10 O ATOM 119 OD2 ASP A 8 -5.210 5.982 0.537 1.00 71.22 O ATOM 0 H ASP A 8 -2.665 3.420 3.834 1.00 12.23 H new ATOM 0 HA ASP A 8 -5.414 4.550 3.758 1.00 73.42 H new ATOM 0 HB2 ASP A 8 -3.545 6.215 3.246 1.00 35.42 H new ATOM 0 HB3 ASP A 8 -3.181 5.240 1.836 1.00 35.42 H new ATOM 124 N ALA A 9 -5.783 3.302 1.437 1.00 43.22 N ATOM 125 CA ALA A 9 -6.224 2.224 0.565 1.00 11.11 C ATOM 126 C ALA A 9 -6.708 2.758 -0.772 1.00 61.00 C ATOM 127 O ALA A 9 -7.623 3.583 -0.826 1.00 71.11 O ATOM 128 CB ALA A 9 -7.333 1.431 1.236 1.00 41.41 C ATOM 0 H ALA A 9 -6.314 4.168 1.341 1.00 43.22 H new ATOM 0 HA ALA A 9 -5.371 1.571 0.381 1.00 11.11 H new ATOM 0 HB1 ALA A 9 -7.656 0.627 0.575 1.00 41.41 H new ATOM 0 HB2 ALA A 9 -6.964 1.007 2.170 1.00 41.41 H new ATOM 0 HB3 ALA A 9 -8.176 2.090 1.445 1.00 41.41 H new ATOM 134 N VAL A 10 -6.105 2.277 -1.849 1.00 53.32 N ATOM 135 CA VAL A 10 -6.492 2.699 -3.187 1.00 4.35 C ATOM 136 C VAL A 10 -7.141 1.551 -3.957 1.00 62.24 C ATOM 137 O VAL A 10 -6.800 0.383 -3.760 1.00 4.35 O ATOM 138 CB VAL A 10 -5.295 3.263 -3.977 1.00 4.24 C ATOM 139 CG1 VAL A 10 -4.844 4.580 -3.374 1.00 64.13 C ATOM 140 CG2 VAL A 10 -4.148 2.263 -4.015 1.00 62.13 C ATOM 0 H VAL A 10 -5.347 1.595 -1.823 1.00 53.32 H new ATOM 0 HA VAL A 10 -7.223 3.499 -3.072 1.00 4.35 H new ATOM 0 HB VAL A 10 -5.613 3.443 -5.004 1.00 4.24 H new ATOM 0 HG11 VAL A 10 -3.998 4.969 -3.941 1.00 64.13 H new ATOM 0 HG12 VAL A 10 -5.665 5.297 -3.410 1.00 64.13 H new ATOM 0 HG13 VAL A 10 -4.545 4.422 -2.338 1.00 64.13 H new ATOM 0 HG21 VAL A 10 -3.316 2.685 -4.578 1.00 62.13 H new ATOM 0 HG22 VAL A 10 -3.823 2.043 -2.998 1.00 62.13 H new ATOM 0 HG23 VAL A 10 -4.482 1.344 -4.496 1.00 62.13 H new ATOM 150 N THR A 11 -8.073 1.894 -4.831 1.00 40.01 N ATOM 151 CA THR A 11 -8.905 0.904 -5.496 1.00 3.05 C ATOM 152 C THR A 11 -8.492 0.695 -6.957 1.00 23.41 C ATOM 153 O THR A 11 -8.685 1.576 -7.792 1.00 13.34 O ATOM 154 CB THR A 11 -10.376 1.350 -5.457 1.00 23.25 C ATOM 155 OG1 THR A 11 -10.620 2.123 -4.275 1.00 11.14 O ATOM 156 CG2 THR A 11 -11.304 0.150 -5.477 1.00 70.33 C ATOM 0 H THR A 11 -8.273 2.858 -5.098 1.00 40.01 H new ATOM 0 HA THR A 11 -8.775 -0.039 -4.964 1.00 3.05 H new ATOM 0 HB THR A 11 -10.572 1.958 -6.340 1.00 23.25 H new ATOM 0 HG1 THR A 11 -11.558 2.406 -4.257 1.00 11.14 H new ATOM 0 HG21 THR A 11 -12.339 0.490 -5.449 1.00 70.33 H new ATOM 0 HG22 THR A 11 -11.136 -0.425 -6.388 1.00 70.33 H new ATOM 0 HG23 THR A 11 -11.105 -0.479 -4.609 1.00 70.33 H new ATOM 164 N ILE A 12 -7.928 -0.468 -7.262 1.00 44.43 N ATOM 165 CA ILE A 12 -7.551 -0.806 -8.623 1.00 3.10 C ATOM 166 C ILE A 12 -8.185 -2.111 -9.087 1.00 71.43 C ATOM 167 O ILE A 12 -8.478 -2.995 -8.285 1.00 21.53 O ATOM 168 CB ILE A 12 -6.024 -0.893 -8.831 1.00 23.43 C ATOM 169 CG1 ILE A 12 -5.293 -1.617 -7.689 1.00 2.25 C ATOM 170 CG2 ILE A 12 -5.440 0.479 -9.053 1.00 3.42 C ATOM 171 CD1 ILE A 12 -5.075 -0.777 -6.445 1.00 42.55 C ATOM 0 H ILE A 12 -7.722 -1.195 -6.577 1.00 44.43 H new ATOM 0 HA ILE A 12 -7.931 0.018 -9.226 1.00 3.10 H new ATOM 0 HB ILE A 12 -5.870 -1.499 -9.724 1.00 23.43 H new ATOM 0 HG12 ILE A 12 -5.863 -2.505 -7.416 1.00 2.25 H new ATOM 0 HG13 ILE A 12 -4.325 -1.959 -8.054 1.00 2.25 H new ATOM 0 HG21 ILE A 12 -4.363 0.397 -9.198 1.00 3.42 H new ATOM 0 HG22 ILE A 12 -5.892 0.928 -9.938 1.00 3.42 H new ATOM 0 HG23 ILE A 12 -5.643 1.106 -8.184 1.00 3.42 H new ATOM 0 HD11 ILE A 12 -4.553 -1.369 -5.693 1.00 42.55 H new ATOM 0 HD12 ILE A 12 -4.477 0.098 -6.697 1.00 42.55 H new ATOM 0 HD13 ILE A 12 -6.039 -0.456 -6.049 1.00 42.55 H new ATOM 183 N GLY A 13 -8.409 -2.212 -10.394 1.00 0.51 N ATOM 184 CA GLY A 13 -8.953 -3.429 -10.972 1.00 55.42 C ATOM 185 C GLY A 13 -7.883 -4.478 -11.226 1.00 35.04 C ATOM 186 O GLY A 13 -8.063 -5.382 -12.042 1.00 22.31 O ATOM 0 H GLY A 13 -8.222 -1.468 -11.067 1.00 0.51 H new ATOM 0 HA2 GLY A 13 -9.709 -3.840 -10.303 1.00 55.42 H new ATOM 0 HA3 GLY A 13 -9.454 -3.190 -11.910 1.00 55.42 H new ATOM 190 N LYS A 14 -6.758 -4.338 -10.537 1.00 24.32 N ATOM 191 CA LYS A 14 -5.675 -5.310 -10.616 1.00 31.43 C ATOM 192 C LYS A 14 -6.009 -6.513 -9.735 1.00 53.11 C ATOM 193 O LYS A 14 -6.598 -6.347 -8.668 1.00 21.00 O ATOM 194 CB LYS A 14 -4.362 -4.651 -10.178 1.00 51.10 C ATOM 195 CG LYS A 14 -3.700 -3.794 -11.253 1.00 62.34 C ATOM 196 CD LYS A 14 -2.779 -4.623 -12.141 1.00 65.44 C ATOM 197 CE LYS A 14 -1.311 -4.338 -11.856 1.00 64.24 C ATOM 198 NZ LYS A 14 -0.870 -3.034 -12.423 1.00 3.53 N ATOM 0 H LYS A 14 -6.571 -3.554 -9.912 1.00 24.32 H new ATOM 0 HA LYS A 14 -5.557 -5.657 -11.643 1.00 31.43 H new ATOM 0 HB2 LYS A 14 -4.555 -4.030 -9.303 1.00 51.10 H new ATOM 0 HB3 LYS A 14 -3.664 -5.429 -9.869 1.00 51.10 H new ATOM 0 HG2 LYS A 14 -4.467 -3.320 -11.865 1.00 62.34 H new ATOM 0 HG3 LYS A 14 -3.129 -2.994 -10.781 1.00 62.34 H new ATOM 0 HD2 LYS A 14 -2.980 -5.683 -11.984 1.00 65.44 H new ATOM 0 HD3 LYS A 14 -2.994 -4.409 -13.188 1.00 65.44 H new ATOM 0 HE2 LYS A 14 -1.145 -4.338 -10.779 1.00 64.24 H new ATOM 0 HE3 LYS A 14 -0.700 -5.139 -12.273 1.00 64.24 H new ATOM 0 HZ1 LYS A 14 -0.223 -2.567 -11.757 1.00 3.53 H new ATOM 0 HZ2 LYS A 14 -0.380 -3.196 -13.326 1.00 3.53 H new ATOM 0 HZ3 LYS A 14 -1.699 -2.427 -12.583 1.00 3.53 H new ATOM 212 N PRO A 15 -5.636 -7.738 -10.157 1.00 74.03 N ATOM 213 CA PRO A 15 -6.067 -8.966 -9.468 1.00 63.35 C ATOM 214 C PRO A 15 -5.571 -9.057 -8.023 1.00 34.53 C ATOM 215 O PRO A 15 -6.381 -9.132 -7.104 1.00 74.12 O ATOM 216 CB PRO A 15 -5.455 -10.086 -10.320 1.00 24.33 C ATOM 217 CG PRO A 15 -4.358 -9.438 -11.097 1.00 61.50 C ATOM 218 CD PRO A 15 -4.796 -8.021 -11.330 1.00 72.11 C ATOM 0 HA PRO A 15 -7.153 -9.014 -9.384 1.00 63.35 H new ATOM 0 HB2 PRO A 15 -5.070 -10.891 -9.694 1.00 24.33 H new ATOM 0 HB3 PRO A 15 -6.199 -10.526 -10.983 1.00 24.33 H new ATOM 0 HG2 PRO A 15 -3.418 -9.470 -10.546 1.00 61.50 H new ATOM 0 HG3 PRO A 15 -4.191 -9.955 -12.042 1.00 61.50 H new ATOM 0 HD2 PRO A 15 -3.946 -7.341 -11.392 1.00 72.11 H new ATOM 0 HD3 PRO A 15 -5.354 -7.919 -12.261 1.00 72.11 H new ATOM 226 N ALA A 16 -4.247 -9.048 -7.840 1.00 12.41 N ATOM 227 CA ALA A 16 -3.612 -8.953 -6.519 1.00 53.12 C ATOM 228 C ALA A 16 -2.110 -9.163 -6.648 1.00 34.32 C ATOM 229 O ALA A 16 -1.321 -8.360 -6.160 1.00 60.11 O ATOM 230 CB ALA A 16 -4.188 -9.948 -5.512 1.00 42.34 C ATOM 0 H ALA A 16 -3.580 -9.107 -8.609 1.00 12.41 H new ATOM 0 HA ALA A 16 -3.820 -7.953 -6.138 1.00 53.12 H new ATOM 0 HB1 ALA A 16 -3.680 -9.832 -4.554 1.00 42.34 H new ATOM 0 HB2 ALA A 16 -5.254 -9.759 -5.383 1.00 42.34 H new ATOM 0 HB3 ALA A 16 -4.041 -10.964 -5.879 1.00 42.34 H new ATOM 236 N GLU A 17 -1.728 -10.246 -7.324 1.00 20.11 N ATOM 237 CA GLU A 17 -0.330 -10.614 -7.492 1.00 64.13 C ATOM 238 C GLU A 17 0.451 -9.475 -8.133 1.00 65.25 C ATOM 239 O GLU A 17 1.520 -9.087 -7.659 1.00 34.21 O ATOM 240 CB GLU A 17 -0.210 -11.860 -8.371 1.00 32.41 C ATOM 241 CG GLU A 17 -1.197 -12.968 -8.035 1.00 71.51 C ATOM 242 CD GLU A 17 -2.493 -12.844 -8.810 1.00 44.02 C ATOM 243 OE1 GLU A 17 -3.354 -12.027 -8.414 1.00 45.42 O ATOM 244 OE2 GLU A 17 -2.652 -13.551 -9.826 1.00 20.54 O ATOM 0 H GLU A 17 -2.382 -10.890 -7.769 1.00 20.11 H new ATOM 0 HA GLU A 17 0.084 -10.823 -6.505 1.00 64.13 H new ATOM 0 HB2 GLU A 17 -0.350 -11.569 -9.412 1.00 32.41 H new ATOM 0 HB3 GLU A 17 0.802 -12.254 -8.284 1.00 32.41 H new ATOM 0 HG2 GLU A 17 -0.740 -13.934 -8.249 1.00 71.51 H new ATOM 0 HG3 GLU A 17 -1.413 -12.947 -6.967 1.00 71.51 H new ATOM 251 N GLN A 18 -0.117 -8.929 -9.202 1.00 72.33 N ATOM 252 CA GLN A 18 0.505 -7.838 -9.945 1.00 44.21 C ATOM 253 C GLN A 18 0.570 -6.561 -9.103 1.00 31.21 C ATOM 254 O GLN A 18 1.247 -5.601 -9.465 1.00 33.04 O ATOM 255 CB GLN A 18 -0.275 -7.575 -11.235 1.00 43.13 C ATOM 256 CG GLN A 18 -0.399 -8.795 -12.139 1.00 4.12 C ATOM 257 CD GLN A 18 0.936 -9.256 -12.693 1.00 22.30 C ATOM 258 OE1 GLN A 18 1.630 -10.059 -12.079 1.00 30.11 O ATOM 259 NE2 GLN A 18 1.297 -8.756 -13.866 1.00 54.20 N ATOM 0 H GLN A 18 -1.017 -9.228 -9.577 1.00 72.33 H new ATOM 0 HA GLN A 18 1.525 -8.133 -10.192 1.00 44.21 H new ATOM 0 HB2 GLN A 18 -1.274 -7.221 -10.979 1.00 43.13 H new ATOM 0 HB3 GLN A 18 0.215 -6.773 -11.788 1.00 43.13 H new ATOM 0 HG2 GLN A 18 -0.856 -9.611 -11.579 1.00 4.12 H new ATOM 0 HG3 GLN A 18 -1.069 -8.562 -12.966 1.00 4.12 H new ATOM 0 HE21 GLN A 18 0.691 -8.090 -14.345 1.00 54.20 H new ATOM 0 HE22 GLN A 18 2.181 -9.037 -14.290 1.00 54.20 H new ATOM 268 N LEU A 19 -0.161 -6.551 -7.995 1.00 70.43 N ATOM 269 CA LEU A 19 -0.120 -5.441 -7.059 1.00 2.15 C ATOM 270 C LEU A 19 1.053 -5.597 -6.103 1.00 54.01 C ATOM 271 O LEU A 19 1.760 -4.635 -5.829 1.00 42.42 O ATOM 272 CB LEU A 19 -1.426 -5.355 -6.280 1.00 10.45 C ATOM 273 CG LEU A 19 -2.649 -4.974 -7.102 1.00 32.45 C ATOM 274 CD1 LEU A 19 -3.914 -5.110 -6.271 1.00 2.04 C ATOM 275 CD2 LEU A 19 -2.503 -3.558 -7.619 1.00 73.32 C ATOM 0 H LEU A 19 -0.792 -7.305 -7.724 1.00 70.43 H new ATOM 0 HA LEU A 19 0.011 -4.518 -7.624 1.00 2.15 H new ATOM 0 HB2 LEU A 19 -1.612 -6.319 -5.807 1.00 10.45 H new ATOM 0 HB3 LEU A 19 -1.305 -4.625 -5.479 1.00 10.45 H new ATOM 0 HG LEU A 19 -2.726 -5.652 -7.952 1.00 32.45 H new ATOM 0 HD11 LEU A 19 -4.778 -4.833 -6.875 1.00 2.04 H new ATOM 0 HD12 LEU A 19 -4.021 -6.142 -5.937 1.00 2.04 H new ATOM 0 HD13 LEU A 19 -3.852 -4.452 -5.404 1.00 2.04 H new ATOM 0 HD21 LEU A 19 -3.382 -3.293 -8.206 1.00 73.32 H new ATOM 0 HD22 LEU A 19 -2.408 -2.871 -6.778 1.00 73.32 H new ATOM 0 HD23 LEU A 19 -1.614 -3.489 -8.246 1.00 73.32 H new ATOM 287 N TYR A 20 1.263 -6.817 -5.608 1.00 3.54 N ATOM 288 CA TYR A 20 2.404 -7.101 -4.736 1.00 63.22 C ATOM 289 C TYR A 20 3.702 -6.866 -5.493 1.00 11.45 C ATOM 290 O TYR A 20 4.710 -6.447 -4.924 1.00 22.31 O ATOM 291 CB TYR A 20 2.383 -8.552 -4.241 1.00 21.13 C ATOM 292 CG TYR A 20 1.154 -8.937 -3.453 1.00 63.44 C ATOM 293 CD1 TYR A 20 0.930 -8.434 -2.179 1.00 14.15 C ATOM 294 CD2 TYR A 20 0.225 -9.823 -3.980 1.00 53.12 C ATOM 295 CE1 TYR A 20 -0.187 -8.806 -1.456 1.00 23.12 C ATOM 296 CE2 TYR A 20 -0.894 -10.197 -3.264 1.00 64.13 C ATOM 297 CZ TYR A 20 -1.097 -9.686 -2.002 1.00 55.14 C ATOM 298 OH TYR A 20 -2.210 -10.055 -1.283 1.00 10.11 O ATOM 0 H TYR A 20 0.662 -7.620 -5.794 1.00 3.54 H new ATOM 0 HA TYR A 20 2.337 -6.434 -3.876 1.00 63.22 H new ATOM 0 HB2 TYR A 20 2.468 -9.215 -5.102 1.00 21.13 H new ATOM 0 HB3 TYR A 20 3.263 -8.722 -3.620 1.00 21.13 H new ATOM 0 HD1 TYR A 20 1.638 -7.743 -1.747 1.00 14.15 H new ATOM 0 HD2 TYR A 20 0.381 -10.228 -4.969 1.00 53.12 H new ATOM 0 HE1 TYR A 20 -0.347 -8.408 -0.465 1.00 23.12 H new ATOM 0 HE2 TYR A 20 -1.607 -10.887 -3.691 1.00 64.13 H new ATOM 0 HH TYR A 20 -2.946 -10.254 -1.899 1.00 10.11 H new ATOM 308 N ALA A 21 3.650 -7.125 -6.790 1.00 73.13 N ATOM 309 CA ALA A 21 4.813 -7.024 -7.653 1.00 0.10 C ATOM 310 C ALA A 21 5.226 -5.578 -7.886 1.00 33.55 C ATOM 311 O ALA A 21 6.282 -5.328 -8.449 1.00 23.11 O ATOM 312 CB ALA A 21 4.536 -7.712 -8.983 1.00 24.52 C ATOM 0 H ALA A 21 2.799 -7.411 -7.273 1.00 73.13 H new ATOM 0 HA ALA A 21 5.641 -7.523 -7.150 1.00 0.10 H new ATOM 0 HB1 ALA A 21 5.414 -7.631 -9.624 1.00 24.52 H new ATOM 0 HB2 ALA A 21 4.310 -8.764 -8.808 1.00 24.52 H new ATOM 0 HB3 ALA A 21 3.686 -7.234 -9.470 1.00 24.52 H new ATOM 318 N VAL A 22 4.408 -4.630 -7.426 1.00 65.32 N ATOM 319 CA VAL A 22 4.664 -3.204 -7.653 1.00 72.24 C ATOM 320 C VAL A 22 6.070 -2.800 -7.188 1.00 12.40 C ATOM 321 O VAL A 22 6.695 -1.911 -7.765 1.00 71.33 O ATOM 322 CB VAL A 22 3.612 -2.303 -6.949 1.00 41.55 C ATOM 323 CG1 VAL A 22 3.762 -2.361 -5.435 1.00 54.45 C ATOM 324 CG2 VAL A 22 3.722 -0.867 -7.445 1.00 25.35 C ATOM 0 H VAL A 22 3.560 -4.823 -6.893 1.00 65.32 H new ATOM 0 HA VAL A 22 4.588 -3.051 -8.730 1.00 72.24 H new ATOM 0 HB VAL A 22 2.622 -2.682 -7.201 1.00 41.55 H new ATOM 0 HG11 VAL A 22 3.012 -1.721 -4.970 1.00 54.45 H new ATOM 0 HG12 VAL A 22 3.624 -3.387 -5.095 1.00 54.45 H new ATOM 0 HG13 VAL A 22 4.757 -2.017 -5.155 1.00 54.45 H new ATOM 0 HG21 VAL A 22 2.978 -0.250 -6.941 1.00 25.35 H new ATOM 0 HG22 VAL A 22 4.719 -0.483 -7.228 1.00 25.35 H new ATOM 0 HG23 VAL A 22 3.548 -0.839 -8.521 1.00 25.35 H new ATOM 334 N TRP A 23 6.574 -3.487 -6.166 1.00 65.23 N ATOM 335 CA TRP A 23 7.874 -3.172 -5.584 1.00 21.21 C ATOM 336 C TRP A 23 9.008 -3.497 -6.558 1.00 41.10 C ATOM 337 O TRP A 23 10.094 -2.920 -6.484 1.00 20.14 O ATOM 338 CB TRP A 23 8.046 -3.952 -4.276 1.00 60.13 C ATOM 339 CG TRP A 23 9.334 -3.678 -3.559 1.00 41.23 C ATOM 340 CD1 TRP A 23 9.783 -2.469 -3.110 1.00 64.25 C ATOM 341 CD2 TRP A 23 10.332 -4.638 -3.193 1.00 0.31 C ATOM 342 NE1 TRP A 23 11.002 -2.620 -2.497 1.00 23.13 N ATOM 343 CE2 TRP A 23 11.358 -3.940 -2.531 1.00 11.22 C ATOM 344 CE3 TRP A 23 10.457 -6.021 -3.361 1.00 50.43 C ATOM 345 CZ2 TRP A 23 12.492 -4.574 -2.039 1.00 34.41 C ATOM 346 CZ3 TRP A 23 11.583 -6.651 -2.870 1.00 74.23 C ATOM 347 CH2 TRP A 23 12.589 -5.927 -2.215 1.00 74.42 C ATOM 0 H TRP A 23 6.097 -4.271 -5.722 1.00 65.23 H new ATOM 0 HA TRP A 23 7.917 -2.103 -5.376 1.00 21.21 H new ATOM 0 HB2 TRP A 23 7.216 -3.712 -3.612 1.00 60.13 H new ATOM 0 HB3 TRP A 23 7.984 -5.019 -4.492 1.00 60.13 H new ATOM 0 HD1 TRP A 23 9.257 -1.532 -3.221 1.00 64.25 H new ATOM 0 HE1 TRP A 23 11.554 -1.869 -2.083 1.00 23.13 H new ATOM 0 HE3 TRP A 23 9.687 -6.586 -3.866 1.00 50.43 H new ATOM 0 HZ2 TRP A 23 13.269 -4.018 -1.535 1.00 34.41 H new ATOM 0 HZ3 TRP A 23 11.691 -7.719 -2.992 1.00 74.23 H new ATOM 0 HH2 TRP A 23 13.458 -6.448 -1.842 1.00 74.42 H new ATOM 358 N ARG A 24 8.745 -4.402 -7.483 1.00 60.44 N ATOM 359 CA ARG A 24 9.747 -4.817 -8.453 1.00 3.30 C ATOM 360 C ARG A 24 9.207 -4.612 -9.866 1.00 54.12 C ATOM 361 O ARG A 24 9.792 -5.088 -10.842 1.00 24.21 O ATOM 362 CB ARG A 24 10.092 -6.295 -8.235 1.00 40.30 C ATOM 363 CG ARG A 24 11.412 -6.737 -8.857 1.00 21.11 C ATOM 364 CD ARG A 24 12.593 -6.457 -7.935 1.00 24.22 C ATOM 365 NE ARG A 24 12.829 -5.027 -7.730 1.00 50.23 N ATOM 366 CZ ARG A 24 13.232 -4.493 -6.574 1.00 5.35 C ATOM 367 NH1 ARG A 24 13.414 -5.266 -5.510 1.00 71.42 N ATOM 368 NH2 ARG A 24 13.460 -3.189 -6.491 1.00 53.51 N ATOM 0 H ARG A 24 7.843 -4.867 -7.585 1.00 60.44 H new ATOM 0 HA ARG A 24 10.648 -4.217 -8.324 1.00 3.30 H new ATOM 0 HB2 ARG A 24 10.126 -6.492 -7.164 1.00 40.30 H new ATOM 0 HB3 ARG A 24 9.289 -6.907 -8.646 1.00 40.30 H new ATOM 0 HG2 ARG A 24 11.370 -7.803 -9.080 1.00 21.11 H new ATOM 0 HG3 ARG A 24 11.559 -6.218 -9.804 1.00 21.11 H new ATOM 0 HD2 ARG A 24 12.415 -6.933 -6.971 1.00 24.22 H new ATOM 0 HD3 ARG A 24 13.491 -6.912 -8.354 1.00 24.22 H new ATOM 0 HE ARG A 24 12.676 -4.399 -8.519 1.00 50.23 H new ATOM 0 HH11 ARG A 24 13.246 -6.270 -5.574 1.00 71.42 H new ATOM 0 HH12 ARG A 24 13.722 -4.856 -4.628 1.00 71.42 H new ATOM 0 HH21 ARG A 24 13.328 -2.595 -7.310 1.00 53.51 H new ATOM 0 HH22 ARG A 24 13.768 -2.780 -5.609 1.00 53.51 H new ATOM 382 N ASP A 25 8.102 -3.860 -9.956 1.00 1.14 N ATOM 383 CA ASP A 25 7.318 -3.730 -11.183 1.00 31.43 C ATOM 384 C ASP A 25 6.743 -5.092 -11.602 1.00 41.12 C ATOM 385 O ASP A 25 7.100 -6.127 -11.041 1.00 22.24 O ATOM 386 CB ASP A 25 8.174 -3.107 -12.284 1.00 10.44 C ATOM 387 CG ASP A 25 7.463 -3.011 -13.622 1.00 13.24 C ATOM 388 OD1 ASP A 25 6.429 -2.318 -13.700 1.00 13.22 O ATOM 389 OD2 ASP A 25 7.937 -3.621 -14.603 1.00 55.23 O ATOM 0 H ASP A 25 7.728 -3.323 -9.173 1.00 1.14 H new ATOM 0 HA ASP A 25 6.473 -3.066 -11.003 1.00 31.43 H new ATOM 0 HB2 ASP A 25 8.482 -2.109 -11.973 1.00 10.44 H new ATOM 0 HB3 ASP A 25 9.082 -3.698 -12.405 1.00 10.44 H new ATOM 394 N LEU A 26 5.831 -5.088 -12.557 1.00 14.31 N ATOM 395 CA LEU A 26 5.210 -6.319 -13.027 1.00 25.53 C ATOM 396 C LEU A 26 5.774 -6.725 -14.394 1.00 4.45 C ATOM 397 O LEU A 26 5.252 -6.335 -15.439 1.00 23.23 O ATOM 398 CB LEU A 26 3.672 -6.190 -13.078 1.00 3.01 C ATOM 399 CG LEU A 26 3.109 -5.057 -13.949 1.00 74.40 C ATOM 400 CD1 LEU A 26 1.663 -5.351 -14.318 1.00 42.14 C ATOM 401 CD2 LEU A 26 3.200 -3.715 -13.236 1.00 42.22 C ATOM 0 H LEU A 26 5.501 -4.244 -13.026 1.00 14.31 H new ATOM 0 HA LEU A 26 5.450 -7.107 -12.313 1.00 25.53 H new ATOM 0 HB2 LEU A 26 3.262 -7.134 -13.438 1.00 3.01 H new ATOM 0 HB3 LEU A 26 3.307 -6.052 -12.060 1.00 3.01 H new ATOM 0 HG LEU A 26 3.709 -5.000 -14.857 1.00 74.40 H new ATOM 0 HD11 LEU A 26 1.273 -4.542 -14.935 1.00 42.14 H new ATOM 0 HD12 LEU A 26 1.612 -6.288 -14.873 1.00 42.14 H new ATOM 0 HD13 LEU A 26 1.066 -5.435 -13.410 1.00 42.14 H new ATOM 0 HD21 LEU A 26 2.794 -2.934 -13.878 1.00 42.22 H new ATOM 0 HD22 LEU A 26 2.629 -3.756 -12.309 1.00 42.22 H new ATOM 0 HD23 LEU A 26 4.243 -3.493 -13.010 1.00 42.22 H new ATOM 413 N PRO A 27 6.888 -7.478 -14.405 1.00 43.51 N ATOM 414 CA PRO A 27 7.534 -7.923 -15.625 1.00 24.43 C ATOM 415 C PRO A 27 6.983 -9.262 -16.101 1.00 30.40 C ATOM 416 O PRO A 27 6.042 -9.805 -15.515 1.00 21.54 O ATOM 417 CB PRO A 27 9.009 -8.060 -15.214 1.00 3.54 C ATOM 418 CG PRO A 27 9.039 -7.996 -13.714 1.00 74.11 C ATOM 419 CD PRO A 27 7.611 -7.974 -13.238 1.00 63.54 C ATOM 0 HA PRO A 27 7.375 -7.234 -16.455 1.00 24.43 H new ATOM 0 HB2 PRO A 27 9.426 -9.002 -15.571 1.00 3.54 H new ATOM 0 HB3 PRO A 27 9.609 -7.261 -15.649 1.00 3.54 H new ATOM 0 HG2 PRO A 27 9.568 -8.856 -13.303 1.00 74.11 H new ATOM 0 HG3 PRO A 27 9.570 -7.105 -13.378 1.00 74.11 H new ATOM 0 HD2 PRO A 27 7.268 -8.965 -12.941 1.00 63.54 H new ATOM 0 HD3 PRO A 27 7.482 -7.321 -12.375 1.00 63.54 H new ATOM 998 N ALA A 64 14.834 -11.697 2.527 1.00 13.23 N ATOM 999 CA ALA A 64 13.656 -11.244 3.244 1.00 62.42 C ATOM 1000 C ALA A 64 12.671 -12.390 3.411 1.00 13.21 C ATOM 1001 O ALA A 64 12.111 -12.871 2.436 1.00 14.22 O ATOM 1002 CB ALA A 64 13.001 -10.081 2.512 1.00 2.33 C ATOM 0 HA ALA A 64 13.961 -10.899 4.232 1.00 62.42 H new ATOM 0 HB1 ALA A 64 12.119 -9.754 3.064 1.00 2.33 H new ATOM 0 HB2 ALA A 64 13.708 -9.255 2.435 1.00 2.33 H new ATOM 0 HB3 ALA A 64 12.706 -10.400 1.512 1.00 2.33 H new ATOM 1008 N GLU A 65 12.450 -12.817 4.650 1.00 10.23 N ATOM 1009 CA GLU A 65 11.502 -13.880 4.918 1.00 12.20 C ATOM 1010 C GLU A 65 10.245 -13.300 5.560 1.00 3.30 C ATOM 1011 O GLU A 65 10.326 -12.480 6.476 1.00 35.41 O ATOM 1012 CB GLU A 65 12.148 -14.922 5.832 1.00 71.02 C ATOM 1013 CG GLU A 65 11.947 -16.359 5.366 1.00 74.23 C ATOM 1014 CD GLU A 65 10.486 -16.744 5.241 1.00 44.30 C ATOM 1015 OE1 GLU A 65 9.889 -16.483 4.175 1.00 11.45 O ATOM 1016 OE2 GLU A 65 9.934 -17.311 6.205 1.00 62.11 O ATOM 0 H GLU A 65 12.914 -12.442 5.477 1.00 10.23 H new ATOM 0 HA GLU A 65 11.219 -14.364 3.984 1.00 12.20 H new ATOM 0 HB2 GLU A 65 13.217 -14.718 5.901 1.00 71.02 H new ATOM 0 HB3 GLU A 65 11.738 -14.815 6.836 1.00 71.02 H new ATOM 0 HG2 GLU A 65 12.436 -16.494 4.401 1.00 74.23 H new ATOM 0 HG3 GLU A 65 12.436 -17.034 6.068 1.00 74.23 H new ATOM 1023 N LEU A 66 9.092 -13.749 5.093 1.00 45.13 N ATOM 1024 CA LEU A 66 7.823 -13.123 5.446 1.00 51.15 C ATOM 1025 C LEU A 66 7.268 -13.692 6.742 1.00 75.31 C ATOM 1026 O LEU A 66 7.466 -14.863 7.052 1.00 35.33 O ATOM 1027 CB LEU A 66 6.803 -13.277 4.307 1.00 45.22 C ATOM 1028 CG LEU A 66 7.135 -12.509 3.025 1.00 21.12 C ATOM 1029 CD1 LEU A 66 7.536 -11.078 3.351 1.00 33.34 C ATOM 1030 CD2 LEU A 66 8.232 -13.211 2.236 1.00 33.20 C ATOM 0 H LEU A 66 9.006 -14.548 4.465 1.00 45.13 H new ATOM 0 HA LEU A 66 8.010 -12.060 5.600 1.00 51.15 H new ATOM 0 HB2 LEU A 66 6.711 -14.336 4.064 1.00 45.22 H new ATOM 0 HB3 LEU A 66 5.828 -12.947 4.667 1.00 45.22 H new ATOM 0 HG LEU A 66 6.240 -12.483 2.403 1.00 21.12 H new ATOM 0 HD11 LEU A 66 7.769 -10.546 2.428 1.00 33.34 H new ATOM 0 HD12 LEU A 66 6.713 -10.577 3.861 1.00 33.34 H new ATOM 0 HD13 LEU A 66 8.414 -11.084 3.997 1.00 33.34 H new ATOM 0 HD21 LEU A 66 8.448 -12.644 1.330 1.00 33.20 H new ATOM 0 HD22 LEU A 66 9.133 -13.278 2.846 1.00 33.20 H new ATOM 0 HD23 LEU A 66 7.901 -14.214 1.966 1.00 33.20 H new ATOM 1042 N THR A 67 6.580 -12.851 7.505 1.00 20.24 N ATOM 1043 CA THR A 67 6.050 -13.265 8.792 1.00 64.04 C ATOM 1044 C THR A 67 4.566 -13.635 8.669 1.00 54.10 C ATOM 1045 O THR A 67 3.998 -14.287 9.547 1.00 3.21 O ATOM 1046 CB THR A 67 6.253 -12.163 9.860 1.00 65.45 C ATOM 1047 OG1 THR A 67 6.093 -12.707 11.174 1.00 31.32 O ATOM 1048 CG2 THR A 67 5.282 -11.009 9.667 1.00 0.31 C ATOM 0 H THR A 67 6.378 -11.883 7.254 1.00 20.24 H new ATOM 0 HA THR A 67 6.601 -14.148 9.115 1.00 64.04 H new ATOM 0 HB THR A 67 7.267 -11.780 9.744 1.00 65.45 H new ATOM 0 HG1 THR A 67 5.339 -13.333 11.179 1.00 31.32 H new ATOM 0 HG21 THR A 67 5.455 -10.255 10.435 1.00 0.31 H new ATOM 0 HG22 THR A 67 5.435 -10.566 8.683 1.00 0.31 H new ATOM 0 HG23 THR A 67 4.259 -11.377 9.744 1.00 0.31 H new ATOM 1056 N ALA A 68 3.950 -13.208 7.571 1.00 12.44 N ATOM 1057 CA ALA A 68 2.582 -13.591 7.242 1.00 42.22 C ATOM 1058 C ALA A 68 2.490 -13.883 5.756 1.00 51.23 C ATOM 1059 O ALA A 68 2.847 -13.042 4.930 1.00 20.24 O ATOM 1060 CB ALA A 68 1.590 -12.507 7.635 1.00 51.54 C ATOM 0 H ALA A 68 4.384 -12.589 6.886 1.00 12.44 H new ATOM 0 HA ALA A 68 2.324 -14.486 7.808 1.00 42.22 H new ATOM 0 HB1 ALA A 68 0.581 -12.826 7.375 1.00 51.54 H new ATOM 0 HB2 ALA A 68 1.650 -12.331 8.709 1.00 51.54 H new ATOM 0 HB3 ALA A 68 1.828 -11.586 7.103 1.00 51.54 H new ATOM 1066 N ASP A 69 2.015 -15.068 5.422 1.00 2.30 N ATOM 1067 CA ASP A 69 2.043 -15.538 4.042 1.00 72.21 C ATOM 1068 C ASP A 69 0.663 -15.948 3.559 1.00 33.34 C ATOM 1069 O ASP A 69 0.186 -17.039 3.878 1.00 13.45 O ATOM 1070 CB ASP A 69 2.985 -16.740 3.896 1.00 54.25 C ATOM 1071 CG ASP A 69 4.422 -16.423 4.248 1.00 25.54 C ATOM 1072 OD1 ASP A 69 4.772 -16.498 5.447 1.00 12.31 O ATOM 1073 OD2 ASP A 69 5.214 -16.132 3.325 1.00 22.51 O ATOM 0 H ASP A 69 1.604 -15.726 6.084 1.00 2.30 H new ATOM 0 HA ASP A 69 2.400 -14.706 3.435 1.00 72.21 H new ATOM 0 HB2 ASP A 69 2.632 -17.549 4.536 1.00 54.25 H new ATOM 0 HB3 ASP A 69 2.942 -17.104 2.869 1.00 54.25 H new ATOM 1078 N GLU A 70 0.004 -15.072 2.820 1.00 62.11 N ATOM 1079 CA GLU A 70 -1.180 -15.464 2.085 1.00 41.25 C ATOM 1080 C GLU A 70 -0.952 -15.186 0.603 1.00 11.21 C ATOM 1081 O GLU A 70 -0.329 -14.188 0.253 1.00 24.33 O ATOM 1082 CB GLU A 70 -2.413 -14.715 2.603 1.00 40.04 C ATOM 1083 CG GLU A 70 -2.646 -14.901 4.095 1.00 63.41 C ATOM 1084 CD GLU A 70 -4.064 -14.588 4.510 1.00 54.11 C ATOM 1085 OE1 GLU A 70 -4.979 -15.324 4.086 1.00 25.50 O ATOM 1086 OE2 GLU A 70 -4.271 -13.622 5.269 1.00 1.10 O ATOM 0 H GLU A 70 0.268 -14.092 2.715 1.00 62.11 H new ATOM 0 HA GLU A 70 -1.364 -16.529 2.228 1.00 41.25 H new ATOM 0 HB2 GLU A 70 -2.300 -13.652 2.389 1.00 40.04 H new ATOM 0 HB3 GLU A 70 -3.293 -15.058 2.059 1.00 40.04 H new ATOM 0 HG2 GLU A 70 -2.411 -15.929 4.369 1.00 63.41 H new ATOM 0 HG3 GLU A 70 -1.960 -14.259 4.648 1.00 63.41 H new ATOM 1093 N PRO A 71 -1.449 -16.058 -0.286 1.00 22.10 N ATOM 1094 CA PRO A 71 -1.240 -15.918 -1.734 1.00 25.10 C ATOM 1095 C PRO A 71 -1.828 -14.624 -2.281 1.00 1.22 C ATOM 1096 O PRO A 71 -1.201 -13.935 -3.087 1.00 73.14 O ATOM 1097 CB PRO A 71 -1.968 -17.131 -2.326 1.00 22.15 C ATOM 1098 CG PRO A 71 -2.079 -18.096 -1.198 1.00 71.23 C ATOM 1099 CD PRO A 71 -2.232 -17.257 0.038 1.00 45.43 C ATOM 0 HA PRO A 71 -0.181 -15.879 -1.988 1.00 25.10 H new ATOM 0 HB2 PRO A 71 -2.951 -16.855 -2.708 1.00 22.15 H new ATOM 0 HB3 PRO A 71 -1.411 -17.559 -3.159 1.00 22.15 H new ATOM 0 HG2 PRO A 71 -2.935 -18.758 -1.331 1.00 71.23 H new ATOM 0 HG3 PRO A 71 -1.194 -18.729 -1.135 1.00 71.23 H new ATOM 0 HD2 PRO A 71 -3.276 -17.017 0.237 1.00 45.43 H new ATOM 0 HD3 PRO A 71 -1.847 -17.765 0.922 1.00 45.43 H new ATOM 1107 N GLY A 72 -3.027 -14.295 -1.829 1.00 31.33 N ATOM 1108 CA GLY A 72 -3.681 -13.091 -2.286 1.00 12.22 C ATOM 1109 C GLY A 72 -4.605 -12.510 -1.239 1.00 4.45 C ATOM 1110 O GLY A 72 -5.797 -12.334 -1.487 1.00 72.03 O ATOM 0 H GLY A 72 -3.559 -14.842 -1.152 1.00 31.33 H new ATOM 0 HA2 GLY A 72 -2.928 -12.350 -2.555 1.00 12.22 H new ATOM 0 HA3 GLY A 72 -4.250 -13.309 -3.190 1.00 12.22 H new ATOM 1114 N LYS A 73 -4.070 -12.235 -0.056 1.00 3.55 N ATOM 1115 CA LYS A 73 -4.849 -11.575 0.978 1.00 11.24 C ATOM 1116 C LYS A 73 -3.965 -10.674 1.834 1.00 2.10 C ATOM 1117 O LYS A 73 -3.873 -9.479 1.582 1.00 53.24 O ATOM 1118 CB LYS A 73 -5.591 -12.580 1.869 1.00 42.22 C ATOM 1119 CG LYS A 73 -6.638 -11.914 2.755 1.00 14.51 C ATOM 1120 CD LYS A 73 -7.156 -12.826 3.862 1.00 51.41 C ATOM 1121 CE LYS A 73 -8.019 -13.970 3.341 1.00 51.52 C ATOM 1122 NZ LYS A 73 -7.213 -15.059 2.732 1.00 53.31 N ATOM 0 H LYS A 73 -3.110 -12.457 0.207 1.00 3.55 H new ATOM 0 HA LYS A 73 -5.595 -10.963 0.470 1.00 11.24 H new ATOM 0 HB2 LYS A 73 -6.074 -13.329 1.242 1.00 42.22 H new ATOM 0 HB3 LYS A 73 -4.871 -13.106 2.496 1.00 42.22 H new ATOM 0 HG2 LYS A 73 -6.209 -11.018 3.203 1.00 14.51 H new ATOM 0 HG3 LYS A 73 -7.476 -11.592 2.137 1.00 14.51 H new ATOM 0 HD2 LYS A 73 -6.309 -13.239 4.410 1.00 51.41 H new ATOM 0 HD3 LYS A 73 -7.737 -12.234 4.570 1.00 51.41 H new ATOM 0 HE2 LYS A 73 -8.612 -14.376 4.161 1.00 51.52 H new ATOM 0 HE3 LYS A 73 -8.720 -13.584 2.601 1.00 51.52 H new ATOM 0 HZ1 LYS A 73 -7.615 -15.980 3.000 1.00 53.31 H new ATOM 0 HZ2 LYS A 73 -7.227 -14.964 1.696 1.00 53.31 H new ATOM 0 HZ3 LYS A 73 -6.232 -14.997 3.072 1.00 53.31 H new ATOM 1136 N ARG A 74 -3.280 -11.242 2.817 1.00 43.41 N ATOM 1137 CA ARG A 74 -2.577 -10.425 3.793 1.00 45.24 C ATOM 1138 C ARG A 74 -1.106 -10.794 3.859 1.00 63.15 C ATOM 1139 O ARG A 74 -0.754 -11.949 4.100 1.00 74.24 O ATOM 1140 CB ARG A 74 -3.216 -10.571 5.175 1.00 22.11 C ATOM 1141 CG ARG A 74 -2.648 -9.608 6.200 1.00 42.54 C ATOM 1142 CD ARG A 74 -3.340 -9.741 7.542 1.00 3.34 C ATOM 1143 NE ARG A 74 -3.116 -11.049 8.156 1.00 53.14 N ATOM 1144 CZ ARG A 74 -2.882 -11.224 9.454 1.00 21.45 C ATOM 1145 NH1 ARG A 74 -2.773 -10.173 10.258 1.00 73.13 N ATOM 1146 NH2 ARG A 74 -2.732 -12.450 9.938 1.00 50.35 N ATOM 0 H ARG A 74 -3.197 -12.249 2.958 1.00 43.41 H new ATOM 0 HA ARG A 74 -2.655 -9.385 3.475 1.00 45.24 H new ATOM 0 HB2 ARG A 74 -4.291 -10.409 5.090 1.00 22.11 H new ATOM 0 HB3 ARG A 74 -3.074 -11.593 5.528 1.00 22.11 H new ATOM 0 HG2 ARG A 74 -1.581 -9.794 6.321 1.00 42.54 H new ATOM 0 HG3 ARG A 74 -2.754 -8.586 5.836 1.00 42.54 H new ATOM 0 HD2 ARG A 74 -2.980 -8.961 8.213 1.00 3.34 H new ATOM 0 HD3 ARG A 74 -4.411 -9.581 7.413 1.00 3.34 H new ATOM 0 HE ARG A 74 -3.141 -11.873 7.556 1.00 53.14 H new ATOM 0 HH11 ARG A 74 -2.869 -9.230 9.881 1.00 73.13 H new ATOM 0 HH12 ARG A 74 -2.594 -10.308 11.253 1.00 73.13 H new ATOM 0 HH21 ARG A 74 -2.796 -13.255 9.315 1.00 50.35 H new ATOM 0 HH22 ARG A 74 -2.552 -12.587 10.933 1.00 50.35 H new ATOM 1160 N ILE A 75 -0.253 -9.804 3.633 1.00 31.24 N ATOM 1161 CA ILE A 75 1.184 -10.000 3.696 1.00 63.33 C ATOM 1162 C ILE A 75 1.816 -9.002 4.652 1.00 23.42 C ATOM 1163 O ILE A 75 1.830 -7.796 4.404 1.00 32.11 O ATOM 1164 CB ILE A 75 1.872 -9.895 2.302 1.00 34.14 C ATOM 1165 CG1 ILE A 75 1.585 -11.136 1.445 1.00 44.10 C ATOM 1166 CG2 ILE A 75 3.380 -9.705 2.449 1.00 52.42 C ATOM 1167 CD1 ILE A 75 0.184 -11.199 0.877 1.00 4.40 C ATOM 0 H ILE A 75 -0.537 -8.852 3.403 1.00 31.24 H new ATOM 0 HA ILE A 75 1.340 -11.015 4.061 1.00 63.33 H new ATOM 0 HB ILE A 75 1.455 -9.022 1.799 1.00 34.14 H new ATOM 0 HG12 ILE A 75 2.298 -11.166 0.621 1.00 44.10 H new ATOM 0 HG13 ILE A 75 1.758 -12.027 2.049 1.00 44.10 H new ATOM 0 HG21 ILE A 75 3.836 -9.635 1.461 1.00 52.42 H new ATOM 0 HG22 ILE A 75 3.579 -8.790 3.006 1.00 52.42 H new ATOM 0 HG23 ILE A 75 3.803 -10.555 2.984 1.00 52.42 H new ATOM 0 HD11 ILE A 75 0.071 -12.108 0.286 1.00 4.40 H new ATOM 0 HD12 ILE A 75 -0.539 -11.204 1.692 1.00 4.40 H new ATOM 0 HD13 ILE A 75 0.009 -10.330 0.243 1.00 4.40 H new ATOM 1179 N ALA A 76 2.300 -9.511 5.768 1.00 42.50 N ATOM 1180 CA ALA A 76 3.108 -8.715 6.665 1.00 21.22 C ATOM 1181 C ALA A 76 4.567 -8.993 6.363 1.00 4.41 C ATOM 1182 O ALA A 76 5.043 -10.123 6.522 1.00 40.14 O ATOM 1183 CB ALA A 76 2.781 -9.026 8.114 1.00 1.13 C ATOM 0 H ALA A 76 2.147 -10.472 6.073 1.00 42.50 H new ATOM 0 HA ALA A 76 2.896 -7.657 6.513 1.00 21.22 H new ATOM 0 HB1 ALA A 76 3.403 -8.414 8.767 1.00 1.13 H new ATOM 0 HB2 ALA A 76 1.730 -8.808 8.305 1.00 1.13 H new ATOM 0 HB3 ALA A 76 2.975 -10.080 8.313 1.00 1.13 H new ATOM 1189 N TRP A 77 5.272 -7.973 5.914 1.00 24.43 N ATOM 1190 CA TRP A 77 6.618 -8.166 5.414 1.00 34.34 C ATOM 1191 C TRP A 77 7.637 -8.127 6.543 1.00 14.51 C ATOM 1192 O TRP A 77 7.424 -7.494 7.579 1.00 1.54 O ATOM 1193 CB TRP A 77 6.955 -7.149 4.314 1.00 60.41 C ATOM 1194 CG TRP A 77 6.987 -5.716 4.758 1.00 41.01 C ATOM 1195 CD1 TRP A 77 5.975 -5.003 5.335 1.00 51.42 C ATOM 1196 CD2 TRP A 77 8.088 -4.811 4.623 1.00 21.23 C ATOM 1197 NE1 TRP A 77 6.386 -3.716 5.579 1.00 33.23 N ATOM 1198 CE2 TRP A 77 7.678 -3.574 5.150 1.00 2.42 C ATOM 1199 CE3 TRP A 77 9.384 -4.931 4.116 1.00 43.42 C ATOM 1200 CZ2 TRP A 77 8.514 -2.464 5.177 1.00 13.41 C ATOM 1201 CZ3 TRP A 77 10.214 -3.828 4.144 1.00 4.13 C ATOM 1202 CH2 TRP A 77 9.778 -2.609 4.673 1.00 34.43 C ATOM 0 H TRP A 77 4.938 -7.010 5.885 1.00 24.43 H new ATOM 0 HA TRP A 77 6.666 -9.158 4.966 1.00 34.34 H new ATOM 0 HB2 TRP A 77 7.927 -7.404 3.891 1.00 60.41 H new ATOM 0 HB3 TRP A 77 6.223 -7.248 3.513 1.00 60.41 H new ATOM 0 HD1 TRP A 77 4.995 -5.394 5.566 1.00 51.42 H new ATOM 0 HE1 TRP A 77 5.821 -2.985 6.010 1.00 33.23 H new ATOM 0 HE3 TRP A 77 9.731 -5.870 3.709 1.00 43.42 H new ATOM 0 HZ2 TRP A 77 8.178 -1.521 5.581 1.00 13.41 H new ATOM 0 HZ3 TRP A 77 11.217 -3.908 3.751 1.00 4.13 H new ATOM 0 HH2 TRP A 77 10.452 -1.765 4.684 1.00 34.43 H new ATOM 1213 N ARG A 78 8.728 -8.835 6.325 1.00 14.54 N ATOM 1214 CA ARG A 78 9.775 -8.995 7.313 1.00 13.30 C ATOM 1215 C ARG A 78 11.062 -9.302 6.559 1.00 53.54 C ATOM 1216 O ARG A 78 11.018 -9.540 5.351 1.00 53.42 O ATOM 1217 CB ARG A 78 9.408 -10.148 8.256 1.00 0.33 C ATOM 1218 CG ARG A 78 10.101 -10.117 9.610 1.00 44.02 C ATOM 1219 CD ARG A 78 9.535 -9.030 10.515 1.00 11.12 C ATOM 1220 NE ARG A 78 10.437 -7.887 10.643 1.00 51.31 N ATOM 1221 CZ ARG A 78 10.063 -6.677 11.060 1.00 32.12 C ATOM 1222 NH1 ARG A 78 8.795 -6.441 11.381 1.00 23.21 N ATOM 1223 NH2 ARG A 78 10.966 -5.710 11.177 1.00 13.44 N ATOM 0 H ARG A 78 8.914 -9.320 5.447 1.00 14.54 H new ATOM 0 HA ARG A 78 9.900 -8.094 7.914 1.00 13.30 H new ATOM 0 HB2 ARG A 78 8.330 -10.137 8.416 1.00 0.33 H new ATOM 0 HB3 ARG A 78 9.648 -11.090 7.764 1.00 0.33 H new ATOM 0 HG2 ARG A 78 9.992 -11.087 10.096 1.00 44.02 H new ATOM 0 HG3 ARG A 78 11.169 -9.951 9.467 1.00 44.02 H new ATOM 0 HD2 ARG A 78 8.578 -8.692 10.117 1.00 11.12 H new ATOM 0 HD3 ARG A 78 9.340 -9.448 11.503 1.00 11.12 H new ATOM 0 HE ARG A 78 11.417 -8.024 10.397 1.00 51.31 H new ATOM 0 HH11 ARG A 78 8.103 -7.187 11.309 1.00 23.21 H new ATOM 0 HH12 ARG A 78 8.514 -5.514 11.700 1.00 23.21 H new ATOM 0 HH21 ARG A 78 11.943 -5.894 10.948 1.00 13.44 H new ATOM 0 HH22 ARG A 78 10.683 -4.783 11.496 1.00 13.44 H new ATOM 1237 N SER A 79 12.191 -9.308 7.237 1.00 10.53 N ATOM 1238 CA SER A 79 13.457 -9.533 6.571 1.00 20.20 C ATOM 1239 C SER A 79 14.409 -10.312 7.465 1.00 23.41 C ATOM 1240 O SER A 79 14.130 -10.543 8.642 1.00 3.31 O ATOM 1241 CB SER A 79 14.078 -8.197 6.146 1.00 51.41 C ATOM 1242 OG SER A 79 14.105 -7.274 7.220 1.00 43.01 O ATOM 0 H SER A 79 12.258 -9.160 8.244 1.00 10.53 H new ATOM 0 HA SER A 79 13.275 -10.130 5.677 1.00 20.20 H new ATOM 0 HB2 SER A 79 15.092 -8.365 5.783 1.00 51.41 H new ATOM 0 HB3 SER A 79 13.508 -7.777 5.317 1.00 51.41 H new ATOM 0 HG SER A 79 15.005 -6.896 7.304 1.00 43.01 H new ATOM 1248 N LEU A 80 15.515 -10.742 6.888 1.00 53.33 N ATOM 1249 CA LEU A 80 16.534 -11.464 7.622 1.00 45.44 C ATOM 1250 C LEU A 80 17.518 -10.497 8.262 1.00 35.42 C ATOM 1251 O LEU A 80 17.705 -9.384 7.774 1.00 4.14 O ATOM 1252 CB LEU A 80 17.260 -12.425 6.691 1.00 34.23 C ATOM 1253 CG LEU A 80 16.591 -13.784 6.547 1.00 65.05 C ATOM 1254 CD1 LEU A 80 15.450 -13.748 5.551 1.00 34.33 C ATOM 1255 CD2 LEU A 80 17.604 -14.811 6.125 1.00 32.31 C ATOM 0 H LEU A 80 15.731 -10.601 5.901 1.00 53.33 H new ATOM 0 HA LEU A 80 16.055 -12.037 8.416 1.00 45.44 H new ATOM 0 HB2 LEU A 80 17.340 -11.966 5.705 1.00 34.23 H new ATOM 0 HB3 LEU A 80 18.276 -12.570 7.058 1.00 34.23 H new ATOM 0 HG LEU A 80 16.176 -14.053 7.518 1.00 65.05 H new ATOM 0 HD11 LEU A 80 15.000 -14.738 5.478 1.00 34.33 H new ATOM 0 HD12 LEU A 80 14.699 -13.031 5.884 1.00 34.33 H new ATOM 0 HD13 LEU A 80 15.829 -13.449 4.574 1.00 34.33 H new ATOM 0 HD21 LEU A 80 17.118 -15.781 6.024 1.00 32.31 H new ATOM 0 HD22 LEU A 80 18.039 -14.522 5.168 1.00 32.31 H new ATOM 0 HD23 LEU A 80 18.391 -14.876 6.876 1.00 32.31 H new ATOM 1267 N PRO A 81 18.168 -10.920 9.358 1.00 41.11 N ATOM 1268 CA PRO A 81 19.132 -10.085 10.093 1.00 50.43 C ATOM 1269 C PRO A 81 20.373 -9.740 9.269 1.00 22.31 C ATOM 1270 O PRO A 81 21.266 -9.033 9.738 1.00 24.14 O ATOM 1271 CB PRO A 81 19.515 -10.954 11.294 1.00 4.22 C ATOM 1272 CG PRO A 81 19.209 -12.348 10.872 1.00 3.50 C ATOM 1273 CD PRO A 81 18.008 -12.247 9.981 1.00 64.23 C ATOM 0 HA PRO A 81 18.701 -9.121 10.362 1.00 50.43 H new ATOM 0 HB2 PRO A 81 20.570 -10.840 11.544 1.00 4.22 H new ATOM 0 HB3 PRO A 81 18.945 -10.676 12.181 1.00 4.22 H new ATOM 0 HG2 PRO A 81 20.053 -12.791 10.343 1.00 3.50 H new ATOM 0 HG3 PRO A 81 19.005 -12.982 11.734 1.00 3.50 H new ATOM 0 HD2 PRO A 81 17.990 -13.043 9.236 1.00 64.23 H new ATOM 0 HD3 PRO A 81 17.079 -12.318 10.546 1.00 64.23 H new ATOM 1281 N GLY A 82 20.425 -10.250 8.048 1.00 61.53 N ATOM 1282 CA GLY A 82 21.516 -9.933 7.155 1.00 13.44 C ATOM 1283 C GLY A 82 21.224 -8.710 6.308 1.00 2.34 C ATOM 1284 O GLY A 82 22.101 -8.216 5.604 1.00 22.12 O ATOM 0 H GLY A 82 19.725 -10.882 7.659 1.00 61.53 H new ATOM 0 HA2 GLY A 82 22.422 -9.762 7.737 1.00 13.44 H new ATOM 0 HA3 GLY A 82 21.711 -10.786 6.504 1.00 13.44 H new ATOM 1288 N ALA A 83 19.986 -8.222 6.376 1.00 54.33 N ATOM 1289 CA ALA A 83 19.583 -7.041 5.621 1.00 21.21 C ATOM 1290 C ALA A 83 20.062 -5.775 6.314 1.00 12.24 C ATOM 1291 O ALA A 83 20.732 -5.837 7.348 1.00 75.20 O ATOM 1292 CB ALA A 83 18.072 -7.005 5.454 1.00 43.04 C ATOM 0 H ALA A 83 19.245 -8.628 6.948 1.00 54.33 H new ATOM 0 HA ALA A 83 20.043 -7.094 4.634 1.00 21.21 H new ATOM 0 HB1 ALA A 83 17.790 -6.117 4.888 1.00 43.04 H new ATOM 0 HB2 ALA A 83 17.744 -7.896 4.919 1.00 43.04 H new ATOM 0 HB3 ALA A 83 17.598 -6.976 6.435 1.00 43.04 H new ATOM 1298 N ARG A 84 19.719 -4.625 5.755 1.00 4.52 N ATOM 1299 CA ARG A 84 20.155 -3.366 6.329 1.00 53.15 C ATOM 1300 C ARG A 84 18.968 -2.477 6.680 1.00 42.51 C ATOM 1301 O ARG A 84 19.046 -1.655 7.596 1.00 61.44 O ATOM 1302 CB ARG A 84 21.081 -2.636 5.362 1.00 41.24 C ATOM 1303 CG ARG A 84 22.069 -1.731 6.067 1.00 61.42 C ATOM 1304 CD ARG A 84 22.968 -2.543 6.980 1.00 62.51 C ATOM 1305 NE ARG A 84 23.907 -1.721 7.737 1.00 5.11 N ATOM 1306 CZ ARG A 84 24.803 -2.226 8.581 1.00 23.33 C ATOM 1307 NH1 ARG A 84 24.877 -3.540 8.762 1.00 52.22 N ATOM 1308 NH2 ARG A 84 25.627 -1.426 9.241 1.00 42.23 N ATOM 0 H ARG A 84 19.147 -4.539 4.915 1.00 4.52 H new ATOM 0 HA ARG A 84 20.698 -3.589 7.248 1.00 53.15 H new ATOM 0 HB2 ARG A 84 21.627 -3.368 4.766 1.00 41.24 H new ATOM 0 HB3 ARG A 84 20.482 -2.044 4.670 1.00 41.24 H new ATOM 0 HG2 ARG A 84 22.672 -1.197 5.332 1.00 61.42 H new ATOM 0 HG3 ARG A 84 21.534 -0.979 6.647 1.00 61.42 H new ATOM 0 HD2 ARG A 84 22.351 -3.113 7.675 1.00 62.51 H new ATOM 0 HD3 ARG A 84 23.525 -3.265 6.383 1.00 62.51 H new ATOM 0 HE ARG A 84 23.875 -0.709 7.613 1.00 5.11 H new ATOM 0 HH11 ARG A 84 24.247 -4.161 8.254 1.00 52.22 H new ATOM 0 HH12 ARG A 84 25.564 -3.928 9.409 1.00 52.22 H new ATOM 0 HH21 ARG A 84 25.577 -0.417 9.104 1.00 42.23 H new ATOM 0 HH22 ARG A 84 26.312 -1.819 9.887 1.00 42.23 H new ATOM 1322 N ILE A 85 17.874 -2.640 5.952 1.00 31.43 N ATOM 1323 CA ILE A 85 16.687 -1.836 6.187 1.00 23.10 C ATOM 1324 C ILE A 85 15.475 -2.739 6.408 1.00 12.11 C ATOM 1325 O ILE A 85 15.260 -3.707 5.676 1.00 53.05 O ATOM 1326 CB ILE A 85 16.450 -0.835 5.016 1.00 13.11 C ATOM 1327 CG1 ILE A 85 15.330 0.176 5.339 1.00 43.11 C ATOM 1328 CG2 ILE A 85 16.159 -1.569 3.712 1.00 51.53 C ATOM 1329 CD1 ILE A 85 13.919 -0.322 5.090 1.00 44.10 C ATOM 0 H ILE A 85 17.784 -3.319 5.196 1.00 31.43 H new ATOM 0 HA ILE A 85 16.838 -1.245 7.091 1.00 23.10 H new ATOM 0 HB ILE A 85 17.373 -0.269 4.889 1.00 13.11 H new ATOM 0 HG12 ILE A 85 15.416 0.467 6.386 1.00 43.11 H new ATOM 0 HG13 ILE A 85 15.491 1.075 4.744 1.00 43.11 H new ATOM 0 HG21 ILE A 85 15.998 -0.844 2.914 1.00 51.53 H new ATOM 0 HG22 ILE A 85 17.005 -2.207 3.457 1.00 51.53 H new ATOM 0 HG23 ILE A 85 15.265 -2.182 3.831 1.00 51.53 H new ATOM 0 HD11 ILE A 85 13.206 0.461 5.347 1.00 44.10 H new ATOM 0 HD12 ILE A 85 13.806 -0.584 4.038 1.00 44.10 H new ATOM 0 HD13 ILE A 85 13.730 -1.201 5.705 1.00 44.10 H new ATOM 1341 N GLU A 86 14.713 -2.439 7.452 1.00 0.22 N ATOM 1342 CA GLU A 86 13.491 -3.166 7.745 1.00 25.55 C ATOM 1343 C GLU A 86 12.466 -2.233 8.379 1.00 50.22 C ATOM 1344 O GLU A 86 12.816 -1.341 9.156 1.00 72.00 O ATOM 1345 CB GLU A 86 13.771 -4.351 8.677 1.00 30.13 C ATOM 1346 CG GLU A 86 14.272 -3.944 10.053 1.00 64.34 C ATOM 1347 CD GLU A 86 14.442 -5.118 10.994 1.00 32.42 C ATOM 1348 OE1 GLU A 86 13.599 -6.038 10.960 1.00 44.45 O ATOM 1349 OE2 GLU A 86 15.404 -5.107 11.791 1.00 50.20 O ATOM 0 H GLU A 86 14.924 -1.691 8.113 1.00 0.22 H new ATOM 0 HA GLU A 86 13.090 -3.554 6.808 1.00 25.55 H new ATOM 0 HB2 GLU A 86 12.858 -4.935 8.791 1.00 30.13 H new ATOM 0 HB3 GLU A 86 14.510 -5.002 8.210 1.00 30.13 H new ATOM 0 HG2 GLU A 86 15.227 -3.429 9.948 1.00 64.34 H new ATOM 0 HG3 GLU A 86 13.573 -3.232 10.492 1.00 64.34 H new ATOM 1356 N ASN A 87 11.210 -2.426 8.033 1.00 11.13 N ATOM 1357 CA ASN A 87 10.129 -1.654 8.618 1.00 24.12 C ATOM 1358 C ASN A 87 8.977 -2.591 8.935 1.00 32.12 C ATOM 1359 O ASN A 87 8.811 -3.610 8.270 1.00 44.02 O ATOM 1360 CB ASN A 87 9.682 -0.537 7.665 1.00 12.20 C ATOM 1361 CG ASN A 87 8.553 0.306 8.232 1.00 22.01 C ATOM 1362 OD1 ASN A 87 7.378 0.023 8.007 1.00 44.25 O ATOM 1363 ND2 ASN A 87 8.902 1.350 8.969 1.00 52.24 N ATOM 0 H ASN A 87 10.909 -3.116 7.344 1.00 11.13 H new ATOM 0 HA ASN A 87 10.473 -1.179 9.537 1.00 24.12 H new ATOM 0 HB2 ASN A 87 10.533 0.107 7.443 1.00 12.20 H new ATOM 0 HB3 ASN A 87 9.361 -0.978 6.721 1.00 12.20 H new ATOM 0 HD21 ASN A 87 8.184 1.952 9.373 1.00 52.24 H new ATOM 0 HD22 ASN A 87 9.888 1.552 9.133 1.00 52.24 H new ATOM 1370 N SER A 88 8.201 -2.270 9.953 1.00 12.03 N ATOM 1371 CA SER A 88 7.125 -3.143 10.361 1.00 10.04 C ATOM 1372 C SER A 88 5.799 -2.626 9.829 1.00 23.03 C ATOM 1373 O SER A 88 5.438 -1.460 10.023 1.00 43.04 O ATOM 1374 CB SER A 88 7.104 -3.273 11.884 1.00 70.33 C ATOM 1375 OG SER A 88 8.326 -3.835 12.349 1.00 22.33 O ATOM 0 H SER A 88 8.297 -1.418 10.506 1.00 12.03 H new ATOM 0 HA SER A 88 7.288 -4.136 9.941 1.00 10.04 H new ATOM 0 HB2 SER A 88 6.951 -2.294 12.337 1.00 70.33 H new ATOM 0 HB3 SER A 88 6.267 -3.901 12.191 1.00 70.33 H new ATOM 0 HG SER A 88 8.300 -3.911 13.326 1.00 22.33 H new ATOM 1381 N GLY A 89 5.082 -3.505 9.157 1.00 2.52 N ATOM 1382 CA GLY A 89 3.843 -3.131 8.531 1.00 23.11 C ATOM 1383 C GLY A 89 3.104 -4.335 8.001 1.00 33.02 C ATOM 1384 O GLY A 89 3.662 -5.434 7.938 1.00 32.34 O ATOM 0 H GLY A 89 5.342 -4.484 9.034 1.00 2.52 H new ATOM 0 HA2 GLY A 89 3.215 -2.605 9.250 1.00 23.11 H new ATOM 0 HA3 GLY A 89 4.042 -2.437 7.715 1.00 23.11 H new ATOM 1388 N GLU A 90 1.862 -4.133 7.606 1.00 73.24 N ATOM 1389 CA GLU A 90 1.013 -5.223 7.164 1.00 22.24 C ATOM 1390 C GLU A 90 0.104 -4.751 6.038 1.00 40.54 C ATOM 1391 O GLU A 90 -0.538 -3.704 6.149 1.00 33.42 O ATOM 1392 CB GLU A 90 0.184 -5.727 8.346 1.00 74.34 C ATOM 1393 CG GLU A 90 -0.604 -6.991 8.064 1.00 50.43 C ATOM 1394 CD GLU A 90 -1.282 -7.524 9.307 1.00 64.30 C ATOM 1395 OE1 GLU A 90 -0.574 -8.011 10.208 1.00 20.32 O ATOM 1396 OE2 GLU A 90 -2.526 -7.453 9.396 1.00 24.22 O ATOM 0 H GLU A 90 1.415 -3.216 7.582 1.00 73.24 H new ATOM 0 HA GLU A 90 1.630 -6.039 6.787 1.00 22.24 H new ATOM 0 HB2 GLU A 90 0.850 -5.909 9.190 1.00 74.34 H new ATOM 0 HB3 GLU A 90 -0.508 -4.942 8.650 1.00 74.34 H new ATOM 0 HG2 GLU A 90 -1.355 -6.788 7.300 1.00 50.43 H new ATOM 0 HG3 GLU A 90 0.064 -7.752 7.660 1.00 50.43 H new ATOM 1403 N VAL A 91 0.078 -5.497 4.945 1.00 43.15 N ATOM 1404 CA VAL A 91 -0.786 -5.163 3.826 1.00 40.11 C ATOM 1405 C VAL A 91 -1.897 -6.195 3.697 1.00 33.15 C ATOM 1406 O VAL A 91 -1.667 -7.393 3.870 1.00 73.22 O ATOM 1407 CB VAL A 91 -0.009 -5.080 2.486 1.00 43.33 C ATOM 1408 CG1 VAL A 91 1.198 -4.180 2.618 1.00 14.22 C ATOM 1409 CG2 VAL A 91 0.420 -6.449 1.992 1.00 62.31 C ATOM 0 H VAL A 91 0.644 -6.335 4.810 1.00 43.15 H new ATOM 0 HA VAL A 91 -1.207 -4.179 4.031 1.00 40.11 H new ATOM 0 HB VAL A 91 -0.692 -4.656 1.750 1.00 43.33 H new ATOM 0 HG11 VAL A 91 1.726 -4.138 1.666 1.00 14.22 H new ATOM 0 HG12 VAL A 91 0.875 -3.177 2.899 1.00 14.22 H new ATOM 0 HG13 VAL A 91 1.864 -4.575 3.385 1.00 14.22 H new ATOM 0 HG21 VAL A 91 0.961 -6.343 1.051 1.00 62.31 H new ATOM 0 HG22 VAL A 91 1.069 -6.916 2.733 1.00 62.31 H new ATOM 0 HG23 VAL A 91 -0.461 -7.072 1.836 1.00 62.31 H new ATOM 1419 N LEU A 92 -3.107 -5.733 3.437 1.00 32.13 N ATOM 1420 CA LEU A 92 -4.199 -6.641 3.149 1.00 14.40 C ATOM 1421 C LEU A 92 -4.886 -6.236 1.854 1.00 13.41 C ATOM 1422 O LEU A 92 -5.393 -5.123 1.710 1.00 73.21 O ATOM 1423 CB LEU A 92 -5.226 -6.782 4.308 1.00 54.14 C ATOM 1424 CG LEU A 92 -5.279 -5.693 5.401 1.00 25.11 C ATOM 1425 CD1 LEU A 92 -4.034 -5.709 6.280 1.00 34.03 C ATOM 1426 CD2 LEU A 92 -5.497 -4.314 4.806 1.00 3.44 C ATOM 0 H LEU A 92 -3.356 -4.744 3.420 1.00 32.13 H new ATOM 0 HA LEU A 92 -3.757 -7.631 3.035 1.00 14.40 H new ATOM 0 HB2 LEU A 92 -6.218 -6.848 3.862 1.00 54.14 H new ATOM 0 HB3 LEU A 92 -5.035 -7.735 4.802 1.00 54.14 H new ATOM 0 HG LEU A 92 -6.135 -5.926 6.034 1.00 25.11 H new ATOM 0 HD11 LEU A 92 -4.112 -4.927 7.036 1.00 34.03 H new ATOM 0 HD12 LEU A 92 -3.946 -6.679 6.769 1.00 34.03 H new ATOM 0 HD13 LEU A 92 -3.152 -5.532 5.665 1.00 34.03 H new ATOM 0 HD21 LEU A 92 -5.529 -3.574 5.605 1.00 3.44 H new ATOM 0 HD22 LEU A 92 -4.679 -4.078 4.125 1.00 3.44 H new ATOM 0 HD23 LEU A 92 -6.440 -4.298 4.259 1.00 3.44 H new ATOM 1438 N PHE A 93 -4.861 -7.158 0.910 1.00 41.51 N ATOM 1439 CA PHE A 93 -5.450 -6.965 -0.398 1.00 25.23 C ATOM 1440 C PHE A 93 -6.825 -7.596 -0.423 1.00 60.41 C ATOM 1441 O PHE A 93 -6.964 -8.819 -0.445 1.00 4.15 O ATOM 1442 CB PHE A 93 -4.549 -7.562 -1.482 1.00 72.41 C ATOM 1443 CG PHE A 93 -3.278 -6.782 -1.700 1.00 60.11 C ATOM 1444 CD1 PHE A 93 -2.466 -6.430 -0.632 1.00 21.20 C ATOM 1445 CD2 PHE A 93 -2.896 -6.402 -2.972 1.00 3.43 C ATOM 1446 CE1 PHE A 93 -1.302 -5.715 -0.831 1.00 30.21 C ATOM 1447 CE2 PHE A 93 -1.732 -5.689 -3.174 1.00 50.23 C ATOM 1448 CZ PHE A 93 -0.936 -5.345 -2.104 1.00 21.24 C ATOM 0 H PHE A 93 -4.426 -8.072 1.033 1.00 41.51 H new ATOM 0 HA PHE A 93 -5.548 -5.899 -0.601 1.00 25.23 H new ATOM 0 HB2 PHE A 93 -4.296 -8.587 -1.210 1.00 72.41 H new ATOM 0 HB3 PHE A 93 -5.103 -7.609 -2.419 1.00 72.41 H new ATOM 0 HD1 PHE A 93 -2.748 -6.719 0.369 1.00 21.20 H new ATOM 0 HD2 PHE A 93 -3.515 -6.666 -3.817 1.00 3.43 H new ATOM 0 HE1 PHE A 93 -0.681 -5.447 0.011 1.00 30.21 H new ATOM 0 HE2 PHE A 93 -1.444 -5.400 -4.174 1.00 50.23 H new ATOM 0 HZ PHE A 93 -0.026 -4.786 -2.264 1.00 21.24 H new ATOM 1458 N ARG A 94 -7.833 -6.753 -0.401 1.00 21.11 N ATOM 1459 CA ARG A 94 -9.199 -7.203 -0.251 1.00 32.12 C ATOM 1460 C ARG A 94 -10.027 -6.792 -1.459 1.00 1.11 C ATOM 1461 O ARG A 94 -9.794 -5.731 -2.041 1.00 63.11 O ATOM 1462 CB ARG A 94 -9.773 -6.625 1.047 1.00 31.31 C ATOM 1463 CG ARG A 94 -9.660 -5.112 1.142 1.00 61.53 C ATOM 1464 CD ARG A 94 -9.685 -4.628 2.585 1.00 62.41 C ATOM 1465 NE ARG A 94 -10.817 -5.162 3.340 1.00 3.44 N ATOM 1466 CZ ARG A 94 -11.941 -4.488 3.579 1.00 71.03 C ATOM 1467 NH1 ARG A 94 -12.123 -3.284 3.052 1.00 65.11 N ATOM 1468 NH2 ARG A 94 -12.893 -5.028 4.330 1.00 20.23 N ATOM 0 H ARG A 94 -7.730 -5.742 -0.486 1.00 21.11 H new ATOM 0 HA ARG A 94 -9.228 -8.291 -0.193 1.00 32.12 H new ATOM 0 HB2 ARG A 94 -10.822 -6.908 1.128 1.00 31.31 H new ATOM 0 HB3 ARG A 94 -9.255 -7.074 1.895 1.00 31.31 H new ATOM 0 HG2 ARG A 94 -8.735 -4.787 0.667 1.00 61.53 H new ATOM 0 HG3 ARG A 94 -10.480 -4.652 0.591 1.00 61.53 H new ATOM 0 HD2 ARG A 94 -8.756 -4.918 3.077 1.00 62.41 H new ATOM 0 HD3 ARG A 94 -9.726 -3.539 2.598 1.00 62.41 H new ATOM 0 HE ARG A 94 -10.742 -6.111 3.707 1.00 3.44 H new ATOM 0 HH11 ARG A 94 -11.401 -2.871 2.461 1.00 65.11 H new ATOM 0 HH12 ARG A 94 -12.985 -2.771 3.237 1.00 65.11 H new ATOM 0 HH21 ARG A 94 -12.764 -5.960 4.725 1.00 20.23 H new ATOM 0 HH22 ARG A 94 -13.753 -4.511 4.512 1.00 20.23 H new ATOM 1482 N PRO A 95 -10.989 -7.643 -1.859 1.00 75.12 N ATOM 1483 CA PRO A 95 -11.867 -7.382 -2.999 1.00 30.52 C ATOM 1484 C PRO A 95 -12.438 -5.971 -2.971 1.00 71.45 C ATOM 1485 O PRO A 95 -13.149 -5.595 -2.036 1.00 43.02 O ATOM 1486 CB PRO A 95 -12.990 -8.422 -2.853 1.00 1.22 C ATOM 1487 CG PRO A 95 -12.762 -9.089 -1.535 1.00 52.11 C ATOM 1488 CD PRO A 95 -11.301 -8.929 -1.230 1.00 21.22 C ATOM 0 HA PRO A 95 -11.332 -7.458 -3.945 1.00 30.52 H new ATOM 0 HB2 PRO A 95 -13.970 -7.946 -2.885 1.00 1.22 H new ATOM 0 HB3 PRO A 95 -12.960 -9.146 -3.667 1.00 1.22 H new ATOM 0 HG2 PRO A 95 -13.374 -8.633 -0.757 1.00 52.11 H new ATOM 0 HG3 PRO A 95 -13.037 -10.143 -1.580 1.00 52.11 H new ATOM 0 HD2 PRO A 95 -11.109 -8.914 -0.157 1.00 21.22 H new ATOM 0 HD3 PRO A 95 -10.707 -9.741 -1.649 1.00 21.22 H new ATOM 1496 N ALA A 96 -12.102 -5.193 -3.992 1.00 2.42 N ATOM 1497 CA ALA A 96 -12.505 -3.797 -4.071 1.00 35.41 C ATOM 1498 C ALA A 96 -14.020 -3.662 -4.042 1.00 75.23 C ATOM 1499 O ALA A 96 -14.726 -4.510 -4.587 1.00 25.00 O ATOM 1500 CB ALA A 96 -11.946 -3.164 -5.331 1.00 21.02 C ATOM 0 H ALA A 96 -11.545 -5.511 -4.785 1.00 2.42 H new ATOM 0 HA ALA A 96 -12.103 -3.277 -3.202 1.00 35.41 H new ATOM 0 HB1 ALA A 96 -12.253 -2.119 -5.381 1.00 21.02 H new ATOM 0 HB2 ALA A 96 -10.858 -3.222 -5.315 1.00 21.02 H new ATOM 0 HB3 ALA A 96 -12.325 -3.695 -6.204 1.00 21.02 H new ATOM 1506 N PRO A 97 -14.529 -2.595 -3.402 1.00 23.11 N ATOM 1507 CA PRO A 97 -15.966 -2.325 -3.305 1.00 64.01 C ATOM 1508 C PRO A 97 -16.694 -2.482 -4.637 1.00 75.54 C ATOM 1509 O PRO A 97 -16.425 -1.757 -5.602 1.00 55.44 O ATOM 1510 CB PRO A 97 -16.013 -0.872 -2.847 1.00 71.52 C ATOM 1511 CG PRO A 97 -14.769 -0.694 -2.050 1.00 54.12 C ATOM 1512 CD PRO A 97 -13.732 -1.569 -2.699 1.00 51.33 C ATOM 0 HA PRO A 97 -16.463 -3.025 -2.634 1.00 64.01 H new ATOM 0 HB2 PRO A 97 -16.042 -0.189 -3.696 1.00 71.52 H new ATOM 0 HB3 PRO A 97 -16.901 -0.673 -2.247 1.00 71.52 H new ATOM 0 HG2 PRO A 97 -14.453 0.349 -2.048 1.00 54.12 H new ATOM 0 HG3 PRO A 97 -14.927 -0.982 -1.011 1.00 54.12 H new ATOM 0 HD2 PRO A 97 -13.107 -1.004 -3.391 1.00 51.33 H new ATOM 0 HD3 PRO A 97 -13.066 -2.016 -1.961 1.00 51.33 H new ATOM 1520 N GLY A 98 -17.598 -3.448 -4.686 1.00 23.23 N ATOM 1521 CA GLY A 98 -18.371 -3.683 -5.885 1.00 22.51 C ATOM 1522 C GLY A 98 -17.774 -4.777 -6.744 1.00 50.41 C ATOM 1523 O GLY A 98 -18.280 -5.057 -7.831 1.00 20.41 O ATOM 0 H GLY A 98 -17.810 -4.076 -3.911 1.00 23.23 H new ATOM 0 HA2 GLY A 98 -19.391 -3.954 -5.611 1.00 22.51 H new ATOM 0 HA3 GLY A 98 -18.431 -2.761 -6.463 1.00 22.51 H new ATOM 1527 N ALA A 99 -16.701 -5.393 -6.245 1.00 24.31 N ATOM 1528 CA ALA A 99 -15.986 -6.452 -6.956 1.00 1.45 C ATOM 1529 C ALA A 99 -15.343 -5.920 -8.237 1.00 51.23 C ATOM 1530 O ALA A 99 -15.201 -6.644 -9.223 1.00 71.12 O ATOM 1531 CB ALA A 99 -16.913 -7.622 -7.256 1.00 23.31 C ATOM 0 H ALA A 99 -16.303 -5.170 -5.333 1.00 24.31 H new ATOM 0 HA ALA A 99 -15.186 -6.811 -6.308 1.00 1.45 H new ATOM 0 HB1 ALA A 99 -16.360 -8.398 -7.785 1.00 23.31 H new ATOM 0 HB2 ALA A 99 -17.302 -8.027 -6.322 1.00 23.31 H new ATOM 0 HB3 ALA A 99 -17.742 -7.280 -7.876 1.00 23.31 H new ATOM 1537 N ARG A 100 -14.928 -4.656 -8.199 1.00 12.00 N ATOM 1538 CA ARG A 100 -14.292 -4.017 -9.354 1.00 54.21 C ATOM 1539 C ARG A 100 -12.850 -4.502 -9.524 1.00 20.02 C ATOM 1540 O ARG A 100 -12.261 -4.385 -10.598 1.00 32.30 O ATOM 1541 CB ARG A 100 -14.299 -2.493 -9.184 1.00 3.13 C ATOM 1542 CG ARG A 100 -13.784 -1.746 -10.405 1.00 22.44 C ATOM 1543 CD ARG A 100 -13.543 -0.273 -10.115 1.00 54.42 C ATOM 1544 NE ARG A 100 -13.106 0.446 -11.314 1.00 14.21 N ATOM 1545 CZ ARG A 100 -11.920 1.045 -11.444 1.00 54.42 C ATOM 1546 NH1 ARG A 100 -11.054 1.053 -10.438 1.00 72.03 N ATOM 1547 NH2 ARG A 100 -11.602 1.648 -12.584 1.00 71.25 N ATOM 0 H ARG A 100 -15.020 -4.052 -7.382 1.00 12.00 H new ATOM 0 HA ARG A 100 -14.860 -4.289 -10.244 1.00 54.21 H new ATOM 0 HB2 ARG A 100 -15.315 -2.164 -8.968 1.00 3.13 H new ATOM 0 HB3 ARG A 100 -13.688 -2.228 -8.321 1.00 3.13 H new ATOM 0 HG2 ARG A 100 -12.856 -2.205 -10.745 1.00 22.44 H new ATOM 0 HG3 ARG A 100 -14.503 -1.842 -11.218 1.00 22.44 H new ATOM 0 HD2 ARG A 100 -14.459 0.178 -9.733 1.00 54.42 H new ATOM 0 HD3 ARG A 100 -12.789 -0.173 -9.335 1.00 54.42 H new ATOM 0 HE ARG A 100 -13.751 0.492 -12.103 1.00 14.21 H new ATOM 0 HH11 ARG A 100 -11.292 0.599 -9.556 1.00 72.03 H new ATOM 0 HH12 ARG A 100 -10.150 1.513 -10.547 1.00 72.03 H new ATOM 0 HH21 ARG A 100 -12.264 1.653 -13.360 1.00 71.25 H new ATOM 0 HH22 ARG A 100 -10.696 2.106 -12.683 1.00 71.25 H new ATOM 1561 N GLY A 101 -12.297 -5.051 -8.455 1.00 3.15 N ATOM 1562 CA GLY A 101 -10.908 -5.461 -8.453 1.00 35.11 C ATOM 1563 C GLY A 101 -10.428 -5.729 -7.047 1.00 41.11 C ATOM 1564 O GLY A 101 -11.111 -6.406 -6.275 1.00 11.11 O ATOM 0 H GLY A 101 -12.791 -5.222 -7.579 1.00 3.15 H new ATOM 0 HA2 GLY A 101 -10.789 -6.359 -9.060 1.00 35.11 H new ATOM 0 HA3 GLY A 101 -10.295 -4.684 -8.909 1.00 35.11 H new ATOM 1568 N THR A 102 -9.290 -5.159 -6.695 1.00 20.11 N ATOM 1569 CA THR A 102 -8.736 -5.319 -5.363 1.00 41.23 C ATOM 1570 C THR A 102 -8.174 -3.998 -4.868 1.00 13.53 C ATOM 1571 O THR A 102 -7.477 -3.294 -5.604 1.00 62.11 O ATOM 1572 CB THR A 102 -7.620 -6.376 -5.352 1.00 22.14 C ATOM 1573 OG1 THR A 102 -8.106 -7.589 -5.934 1.00 21.02 O ATOM 1574 CG2 THR A 102 -7.136 -6.656 -3.938 1.00 12.33 C ATOM 0 H THR A 102 -8.728 -4.578 -7.317 1.00 20.11 H new ATOM 0 HA THR A 102 -9.540 -5.648 -4.705 1.00 41.23 H new ATOM 0 HB THR A 102 -6.781 -5.989 -5.931 1.00 22.14 H new ATOM 0 HG1 THR A 102 -7.353 -8.191 -6.112 1.00 21.02 H new ATOM 0 HG21 THR A 102 -6.347 -7.408 -3.966 1.00 12.33 H new ATOM 0 HG22 THR A 102 -6.747 -5.738 -3.498 1.00 12.33 H new ATOM 0 HG23 THR A 102 -7.966 -7.024 -3.335 1.00 12.33 H new ATOM 1582 N GLU A 103 -8.488 -3.645 -3.634 1.00 35.13 N ATOM 1583 CA GLU A 103 -7.918 -2.456 -3.049 1.00 43.42 C ATOM 1584 C GLU A 103 -6.712 -2.848 -2.212 1.00 30.35 C ATOM 1585 O GLU A 103 -6.747 -3.817 -1.446 1.00 52.13 O ATOM 1586 CB GLU A 103 -8.947 -1.687 -2.211 1.00 4.43 C ATOM 1587 CG GLU A 103 -9.181 -2.270 -0.832 1.00 31.11 C ATOM 1588 CD GLU A 103 -10.286 -1.564 -0.071 1.00 12.42 C ATOM 1589 OE1 GLU A 103 -10.186 -0.334 0.127 1.00 62.23 O ATOM 1590 OE2 GLU A 103 -11.252 -2.237 0.350 1.00 40.51 O ATOM 0 H GLU A 103 -9.127 -4.160 -3.028 1.00 35.13 H new ATOM 0 HA GLU A 103 -7.603 -1.785 -3.848 1.00 43.42 H new ATOM 0 HB2 GLU A 103 -8.615 -0.654 -2.106 1.00 4.43 H new ATOM 0 HB3 GLU A 103 -9.894 -1.664 -2.750 1.00 4.43 H new ATOM 0 HG2 GLU A 103 -9.431 -3.327 -0.928 1.00 31.11 H new ATOM 0 HG3 GLU A 103 -8.257 -2.212 -0.257 1.00 31.11 H new ATOM 1597 N VAL A 104 -5.635 -2.123 -2.398 1.00 4.24 N ATOM 1598 CA VAL A 104 -4.414 -2.369 -1.653 1.00 31.13 C ATOM 1599 C VAL A 104 -4.345 -1.459 -0.434 1.00 53.15 C ATOM 1600 O VAL A 104 -4.042 -0.268 -0.529 1.00 33.20 O ATOM 1601 CB VAL A 104 -3.166 -2.223 -2.554 1.00 22.55 C ATOM 1602 CG1 VAL A 104 -3.285 -1.012 -3.447 1.00 51.15 C ATOM 1603 CG2 VAL A 104 -1.889 -2.154 -1.728 1.00 23.14 C ATOM 0 H VAL A 104 -5.575 -1.352 -3.063 1.00 4.24 H new ATOM 0 HA VAL A 104 -4.427 -3.400 -1.299 1.00 31.13 H new ATOM 0 HB VAL A 104 -3.110 -3.111 -3.183 1.00 22.55 H new ATOM 0 HG11 VAL A 104 -2.395 -0.931 -4.071 1.00 51.15 H new ATOM 0 HG12 VAL A 104 -4.165 -1.113 -4.082 1.00 51.15 H new ATOM 0 HG13 VAL A 104 -3.381 -0.116 -2.834 1.00 51.15 H new ATOM 0 HG21 VAL A 104 -1.031 -2.052 -2.392 1.00 23.14 H new ATOM 0 HG22 VAL A 104 -1.934 -1.295 -1.059 1.00 23.14 H new ATOM 0 HG23 VAL A 104 -1.786 -3.066 -1.140 1.00 23.14 H new ATOM 1613 N VAL A 105 -4.688 -2.035 0.705 1.00 4.22 N ATOM 1614 CA VAL A 105 -4.668 -1.321 1.965 1.00 32.32 C ATOM 1615 C VAL A 105 -3.368 -1.630 2.686 1.00 73.31 C ATOM 1616 O VAL A 105 -3.138 -2.766 3.112 1.00 13.05 O ATOM 1617 CB VAL A 105 -5.854 -1.726 2.863 1.00 53.03 C ATOM 1618 CG1 VAL A 105 -6.050 -0.725 3.989 1.00 63.31 C ATOM 1619 CG2 VAL A 105 -7.129 -1.877 2.049 1.00 2.11 C ATOM 0 H VAL A 105 -4.987 -3.007 0.780 1.00 4.22 H new ATOM 0 HA VAL A 105 -4.749 -0.254 1.757 1.00 32.32 H new ATOM 0 HB VAL A 105 -5.620 -2.694 3.307 1.00 53.03 H new ATOM 0 HG11 VAL A 105 -6.893 -1.034 4.608 1.00 63.31 H new ATOM 0 HG12 VAL A 105 -5.148 -0.683 4.599 1.00 63.31 H new ATOM 0 HG13 VAL A 105 -6.250 0.261 3.569 1.00 63.31 H new ATOM 0 HG21 VAL A 105 -7.949 -2.163 2.707 1.00 2.11 H new ATOM 0 HG22 VAL A 105 -7.366 -0.930 1.565 1.00 2.11 H new ATOM 0 HG23 VAL A 105 -6.987 -2.647 1.290 1.00 2.11 H new ATOM 1629 N VAL A 106 -2.508 -0.638 2.799 1.00 10.20 N ATOM 1630 CA VAL A 106 -1.205 -0.846 3.402 1.00 75.35 C ATOM 1631 C VAL A 106 -1.079 -0.108 4.728 1.00 54.51 C ATOM 1632 O VAL A 106 -1.293 1.102 4.810 1.00 55.14 O ATOM 1633 CB VAL A 106 -0.056 -0.429 2.454 1.00 24.21 C ATOM 1634 CG1 VAL A 106 -0.008 -1.341 1.239 1.00 52.31 C ATOM 1635 CG2 VAL A 106 -0.208 1.015 2.012 1.00 43.24 C ATOM 0 H VAL A 106 -2.685 0.316 2.483 1.00 10.20 H new ATOM 0 HA VAL A 106 -1.118 -1.916 3.590 1.00 75.35 H new ATOM 0 HB VAL A 106 0.880 -0.523 3.005 1.00 24.21 H new ATOM 0 HG11 VAL A 106 0.807 -1.032 0.584 1.00 52.31 H new ATOM 0 HG12 VAL A 106 0.156 -2.369 1.562 1.00 52.31 H new ATOM 0 HG13 VAL A 106 -0.952 -1.277 0.699 1.00 52.31 H new ATOM 0 HG21 VAL A 106 0.614 1.280 1.347 1.00 43.24 H new ATOM 0 HG22 VAL A 106 -1.155 1.137 1.486 1.00 43.24 H new ATOM 0 HG23 VAL A 106 -0.192 1.667 2.886 1.00 43.24 H new ATOM 1645 N ARG A 107 -0.767 -0.860 5.772 1.00 4.32 N ATOM 1646 CA ARG A 107 -0.498 -0.292 7.082 1.00 73.01 C ATOM 1647 C ARG A 107 1.002 -0.327 7.359 1.00 51.11 C ATOM 1648 O ARG A 107 1.555 -1.372 7.696 1.00 65.53 O ATOM 1649 CB ARG A 107 -1.270 -1.064 8.166 1.00 73.42 C ATOM 1650 CG ARG A 107 -0.850 -0.724 9.587 1.00 22.22 C ATOM 1651 CD ARG A 107 -1.705 -1.443 10.616 1.00 22.32 C ATOM 1652 NE ARG A 107 -1.118 -1.374 11.954 1.00 4.33 N ATOM 1653 CZ ARG A 107 -1.563 -0.586 12.932 1.00 23.24 C ATOM 1654 NH1 ARG A 107 -2.602 0.216 12.734 1.00 33.42 N ATOM 1655 NH2 ARG A 107 -0.965 -0.613 14.114 1.00 43.50 N ATOM 0 H ARG A 107 -0.694 -1.877 5.735 1.00 4.32 H new ATOM 0 HA ARG A 107 -0.833 0.745 7.100 1.00 73.01 H new ATOM 0 HB2 ARG A 107 -2.335 -0.859 8.054 1.00 73.42 H new ATOM 0 HB3 ARG A 107 -1.132 -2.133 8.004 1.00 73.42 H new ATOM 0 HG2 ARG A 107 0.196 -0.994 9.731 1.00 22.22 H new ATOM 0 HG3 ARG A 107 -0.925 0.353 9.740 1.00 22.22 H new ATOM 0 HD2 ARG A 107 -2.701 -1.001 10.633 1.00 22.32 H new ATOM 0 HD3 ARG A 107 -1.824 -2.487 10.325 1.00 22.32 H new ATOM 0 HE ARG A 107 -0.314 -1.969 12.152 1.00 4.33 H new ATOM 0 HH11 ARG A 107 -3.068 0.233 11.827 1.00 33.42 H new ATOM 0 HH12 ARG A 107 -2.935 0.815 13.489 1.00 33.42 H new ATOM 0 HH21 ARG A 107 -0.171 -1.234 14.270 1.00 43.50 H new ATOM 0 HH22 ARG A 107 -1.299 -0.013 14.868 1.00 43.50 H new ATOM 1669 N LEU A 108 1.658 0.813 7.184 1.00 45.31 N ATOM 1670 CA LEU A 108 3.098 0.912 7.383 1.00 12.31 C ATOM 1671 C LEU A 108 3.404 1.870 8.520 1.00 14.24 C ATOM 1672 O LEU A 108 2.939 3.011 8.516 1.00 5.14 O ATOM 1673 CB LEU A 108 3.781 1.391 6.099 1.00 1.24 C ATOM 1674 CG LEU A 108 3.731 0.408 4.928 1.00 35.24 C ATOM 1675 CD1 LEU A 108 4.328 1.037 3.676 1.00 44.22 C ATOM 1676 CD2 LEU A 108 4.471 -0.872 5.286 1.00 1.42 C ATOM 0 H LEU A 108 1.213 1.687 6.903 1.00 45.31 H new ATOM 0 HA LEU A 108 3.482 -0.076 7.638 1.00 12.31 H new ATOM 0 HB2 LEU A 108 3.317 2.327 5.787 1.00 1.24 H new ATOM 0 HB3 LEU A 108 4.825 1.612 6.323 1.00 1.24 H new ATOM 0 HG LEU A 108 2.689 0.163 4.723 1.00 35.24 H new ATOM 0 HD11 LEU A 108 4.284 0.323 2.854 1.00 44.22 H new ATOM 0 HD12 LEU A 108 3.762 1.930 3.412 1.00 44.22 H new ATOM 0 HD13 LEU A 108 5.367 1.309 3.865 1.00 44.22 H new ATOM 0 HD21 LEU A 108 4.429 -1.564 4.445 1.00 1.42 H new ATOM 0 HD22 LEU A 108 5.512 -0.639 5.513 1.00 1.42 H new ATOM 0 HD23 LEU A 108 4.004 -1.331 6.157 1.00 1.42 H new ATOM 1688 N THR A 109 4.182 1.417 9.492 1.00 73.55 N ATOM 1689 CA THR A 109 4.452 2.240 10.653 1.00 30.21 C ATOM 1690 C THR A 109 5.695 3.093 10.432 1.00 3.24 C ATOM 1691 O THR A 109 6.802 2.573 10.280 1.00 2.51 O ATOM 1692 CB THR A 109 4.646 1.368 11.909 1.00 42.44 C ATOM 1693 OG1 THR A 109 3.550 0.459 12.051 1.00 55.31 O ATOM 1694 CG2 THR A 109 4.778 2.225 13.163 1.00 71.50 C ATOM 0 H THR A 109 4.629 0.500 9.498 1.00 73.55 H new ATOM 0 HA THR A 109 3.592 2.893 10.803 1.00 30.21 H new ATOM 0 HB THR A 109 5.570 0.803 11.786 1.00 42.44 H new ATOM 0 HG1 THR A 109 3.683 -0.092 12.851 1.00 55.31 H new ATOM 0 HG21 THR A 109 4.914 1.581 14.032 1.00 71.50 H new ATOM 0 HG22 THR A 109 5.639 2.886 13.063 1.00 71.50 H new ATOM 0 HG23 THR A 109 3.876 2.823 13.292 1.00 71.50 H new ATOM 1702 N TYR A 110 5.493 4.403 10.420 1.00 14.54 N ATOM 1703 CA TYR A 110 6.578 5.368 10.341 1.00 61.12 C ATOM 1704 C TYR A 110 6.008 6.768 10.526 1.00 50.34 C ATOM 1705 O TYR A 110 4.790 6.947 10.502 1.00 10.32 O ATOM 1706 CB TYR A 110 7.350 5.263 9.009 1.00 24.42 C ATOM 1707 CG TYR A 110 6.559 5.639 7.770 1.00 73.02 C ATOM 1708 CD1 TYR A 110 5.829 4.687 7.071 1.00 10.41 C ATOM 1709 CD2 TYR A 110 6.565 6.943 7.290 1.00 3.14 C ATOM 1710 CE1 TYR A 110 5.122 5.028 5.933 1.00 22.04 C ATOM 1711 CE2 TYR A 110 5.863 7.289 6.153 1.00 2.42 C ATOM 1712 CZ TYR A 110 5.144 6.329 5.478 1.00 43.13 C ATOM 1713 OH TYR A 110 4.446 6.672 4.344 1.00 30.13 O ATOM 0 H TYR A 110 4.567 4.827 10.465 1.00 14.54 H new ATOM 0 HA TYR A 110 7.294 5.151 11.134 1.00 61.12 H new ATOM 0 HB2 TYR A 110 8.230 5.904 9.067 1.00 24.42 H new ATOM 0 HB3 TYR A 110 7.708 4.240 8.895 1.00 24.42 H new ATOM 0 HD1 TYR A 110 5.813 3.666 7.421 1.00 10.41 H new ATOM 0 HD2 TYR A 110 7.129 7.699 7.816 1.00 3.14 H new ATOM 0 HE1 TYR A 110 4.555 4.278 5.402 1.00 22.04 H new ATOM 0 HE2 TYR A 110 5.878 8.308 5.795 1.00 2.42 H new ATOM 0 HH TYR A 110 4.566 7.627 4.162 1.00 30.13 H new ATOM 1782 N GLY A 115 9.290 18.641 9.529 1.00 11.14 N ATOM 1783 CA GLY A 115 8.775 19.990 9.393 1.00 24.03 C ATOM 1784 C GLY A 115 8.115 20.242 8.054 1.00 24.11 C ATOM 1785 O GLY A 115 7.667 21.356 7.776 1.00 21.23 O ATOM 0 HA2 GLY A 115 8.054 20.179 10.188 1.00 24.03 H new ATOM 0 HA3 GLY A 115 9.591 20.699 9.528 1.00 24.03 H new ATOM 1789 N SER A 116 8.058 19.219 7.217 1.00 23.04 N ATOM 1790 CA SER A 116 7.458 19.357 5.897 1.00 73.15 C ATOM 1791 C SER A 116 5.949 19.135 5.952 1.00 62.13 C ATOM 1792 O SER A 116 5.209 19.632 5.102 1.00 3.40 O ATOM 1793 CB SER A 116 8.104 18.377 4.924 1.00 10.02 C ATOM 1794 OG SER A 116 9.520 18.462 4.992 1.00 14.14 O ATOM 0 H SER A 116 8.418 18.287 7.425 1.00 23.04 H new ATOM 0 HA SER A 116 7.634 20.374 5.547 1.00 73.15 H new ATOM 0 HB2 SER A 116 7.784 17.361 5.157 1.00 10.02 H new ATOM 0 HB3 SER A 116 7.770 18.591 3.909 1.00 10.02 H new ATOM 0 HG SER A 116 9.917 17.825 4.362 1.00 14.14 H new ATOM 1800 N ALA A 117 5.495 18.401 6.964 1.00 20.52 N ATOM 1801 CA ALA A 117 4.077 18.081 7.107 1.00 44.04 C ATOM 1802 C ALA A 117 3.249 19.348 7.300 1.00 31.23 C ATOM 1803 O ALA A 117 2.173 19.494 6.714 1.00 31.41 O ATOM 1804 CB ALA A 117 3.863 17.121 8.268 1.00 1.41 C ATOM 0 H ALA A 117 6.089 18.016 7.698 1.00 20.52 H new ATOM 0 HA ALA A 117 3.744 17.596 6.190 1.00 44.04 H new ATOM 0 HB1 ALA A 117 2.801 16.893 8.361 1.00 1.41 H new ATOM 0 HB2 ALA A 117 4.417 16.200 8.086 1.00 1.41 H new ATOM 0 HB3 ALA A 117 4.217 17.581 9.191 1.00 1.41 H new ATOM 1810 N GLY A 118 3.767 20.266 8.109 1.00 65.23 N ATOM 1811 CA GLY A 118 3.091 21.529 8.347 1.00 55.44 C ATOM 1812 C GLY A 118 2.938 22.351 7.084 1.00 30.13 C ATOM 1813 O GLY A 118 1.967 23.091 6.931 1.00 3.51 O ATOM 0 H GLY A 118 4.650 20.157 8.608 1.00 65.23 H new ATOM 0 HA2 GLY A 118 2.106 21.336 8.773 1.00 55.44 H new ATOM 0 HA3 GLY A 118 3.650 22.104 9.085 1.00 55.44 H new ATOM 1817 N ALA A 119 3.889 22.214 6.172 1.00 15.44 N ATOM 1818 CA ALA A 119 3.839 22.930 4.906 1.00 12.25 C ATOM 1819 C ALA A 119 2.747 22.359 4.011 1.00 22.54 C ATOM 1820 O ALA A 119 2.156 23.069 3.192 1.00 72.33 O ATOM 1821 CB ALA A 119 5.190 22.866 4.210 1.00 2.32 C ATOM 0 H ALA A 119 4.705 21.613 6.285 1.00 15.44 H new ATOM 0 HA ALA A 119 3.603 23.975 5.108 1.00 12.25 H new ATOM 0 HB1 ALA A 119 5.138 23.406 3.264 1.00 2.32 H new ATOM 0 HB2 ALA A 119 5.949 23.321 4.846 1.00 2.32 H new ATOM 0 HB3 ALA A 119 5.452 21.825 4.020 1.00 2.32 H new ATOM 1827 N VAL A 120 2.474 21.073 4.180 1.00 20.11 N ATOM 1828 CA VAL A 120 1.442 20.404 3.402 1.00 63.33 C ATOM 1829 C VAL A 120 0.056 20.825 3.879 1.00 62.10 C ATOM 1830 O VAL A 120 -0.775 21.263 3.085 1.00 71.05 O ATOM 1831 CB VAL A 120 1.564 18.866 3.488 1.00 20.14 C ATOM 1832 CG1 VAL A 120 0.501 18.188 2.634 1.00 50.13 C ATOM 1833 CG2 VAL A 120 2.954 18.412 3.073 1.00 54.14 C ATOM 0 H VAL A 120 2.954 20.472 4.850 1.00 20.11 H new ATOM 0 HA VAL A 120 1.581 20.703 2.363 1.00 63.33 H new ATOM 0 HB VAL A 120 1.404 18.573 4.525 1.00 20.14 H new ATOM 0 HG11 VAL A 120 0.608 17.106 2.711 1.00 50.13 H new ATOM 0 HG12 VAL A 120 -0.489 18.481 2.985 1.00 50.13 H new ATOM 0 HG13 VAL A 120 0.622 18.491 1.594 1.00 50.13 H new ATOM 0 HG21 VAL A 120 3.018 17.326 3.141 1.00 54.14 H new ATOM 0 HG22 VAL A 120 3.147 18.723 2.046 1.00 54.14 H new ATOM 0 HG23 VAL A 120 3.696 18.861 3.734 1.00 54.14 H new ATOM 1843 N ILE A 121 -0.171 20.726 5.183 1.00 0.32 N ATOM 1844 CA ILE A 121 -1.485 21.002 5.756 1.00 60.35 C ATOM 1845 C ILE A 121 -1.847 22.486 5.670 1.00 73.24 C ATOM 1846 O ILE A 121 -3.023 22.847 5.699 1.00 61.52 O ATOM 1847 CB ILE A 121 -1.585 20.500 7.221 1.00 64.32 C ATOM 1848 CG1 ILE A 121 -0.506 21.124 8.119 1.00 73.41 C ATOM 1849 CG2 ILE A 121 -1.477 18.983 7.256 1.00 63.25 C ATOM 1850 CD1 ILE A 121 -0.898 22.453 8.736 1.00 43.42 C ATOM 0 H ILE A 121 0.538 20.456 5.865 1.00 0.32 H new ATOM 0 HA ILE A 121 -2.209 20.449 5.157 1.00 60.35 H new ATOM 0 HB ILE A 121 -2.555 20.810 7.610 1.00 64.32 H new ATOM 0 HG12 ILE A 121 -0.265 20.423 8.918 1.00 73.41 H new ATOM 0 HG13 ILE A 121 0.402 21.263 7.532 1.00 73.41 H new ATOM 0 HG21 ILE A 121 -1.548 18.637 8.287 1.00 63.25 H new ATOM 0 HG22 ILE A 121 -2.286 18.547 6.670 1.00 63.25 H new ATOM 0 HG23 ILE A 121 -0.519 18.677 6.836 1.00 63.25 H new ATOM 0 HD11 ILE A 121 -0.080 22.823 9.354 1.00 43.42 H new ATOM 0 HD12 ILE A 121 -1.109 23.173 7.945 1.00 43.42 H new ATOM 0 HD13 ILE A 121 -1.787 22.320 9.353 1.00 43.42 H new ATOM 1862 N ALA A 122 -0.836 23.340 5.556 1.00 35.34 N ATOM 1863 CA ALA A 122 -1.063 24.775 5.441 1.00 64.33 C ATOM 1864 C ALA A 122 -1.419 25.163 4.010 1.00 42.45 C ATOM 1865 O ALA A 122 -2.159 26.121 3.783 1.00 30.13 O ATOM 1866 CB ALA A 122 0.162 25.548 5.904 1.00 62.34 C ATOM 0 H ALA A 122 0.146 23.064 5.541 1.00 35.34 H new ATOM 0 HA ALA A 122 -1.905 25.032 6.083 1.00 64.33 H new ATOM 0 HB1 ALA A 122 -0.026 26.618 5.811 1.00 62.34 H new ATOM 0 HB2 ALA A 122 0.373 25.306 6.946 1.00 62.34 H new ATOM 0 HB3 ALA A 122 1.019 25.275 5.288 1.00 62.34 H new ATOM 1872 N ARG A 123 -0.885 24.420 3.046 1.00 32.14 N ATOM 1873 CA ARG A 123 -1.124 24.715 1.639 1.00 52.35 C ATOM 1874 C ARG A 123 -2.376 24.006 1.131 1.00 31.03 C ATOM 1875 O ARG A 123 -3.137 24.574 0.347 1.00 71.52 O ATOM 1876 CB ARG A 123 0.081 24.312 0.781 1.00 31.12 C ATOM 1877 CG ARG A 123 -0.162 24.495 -0.709 1.00 61.11 C ATOM 1878 CD ARG A 123 1.008 24.015 -1.543 1.00 71.04 C ATOM 1879 NE ARG A 123 0.679 24.009 -2.970 1.00 51.33 N ATOM 1880 CZ ARG A 123 1.579 24.052 -3.949 1.00 71.24 C ATOM 1881 NH1 ARG A 123 2.873 24.145 -3.669 1.00 54.23 N ATOM 1882 NH2 ARG A 123 1.181 24.006 -5.214 1.00 51.41 N ATOM 0 H ARG A 123 -0.286 23.612 3.213 1.00 32.14 H new ATOM 0 HA ARG A 123 -1.274 25.791 1.555 1.00 52.35 H new ATOM 0 HB2 ARG A 123 0.946 24.905 1.078 1.00 31.12 H new ATOM 0 HB3 ARG A 123 0.327 23.269 0.978 1.00 31.12 H new ATOM 0 HG2 ARG A 123 -1.060 23.950 -0.999 1.00 61.11 H new ATOM 0 HG3 ARG A 123 -0.347 25.549 -0.918 1.00 61.11 H new ATOM 0 HD2 ARG A 123 1.870 24.660 -1.369 1.00 71.04 H new ATOM 0 HD3 ARG A 123 1.293 23.011 -1.229 1.00 71.04 H new ATOM 0 HE ARG A 123 -0.306 23.969 -3.231 1.00 51.33 H new ATOM 0 HH11 ARG A 123 3.183 24.184 -2.698 1.00 54.23 H new ATOM 0 HH12 ARG A 123 3.557 24.177 -4.425 1.00 54.23 H new ATOM 0 HH21 ARG A 123 0.187 23.938 -5.434 1.00 51.41 H new ATOM 0 HH22 ARG A 123 1.869 24.039 -5.967 1.00 51.41 H new ATOM 1896 N MET A 124 -2.576 22.767 1.577 1.00 63.41 N ATOM 1897 CA MET A 124 -3.704 21.951 1.124 1.00 14.44 C ATOM 1898 C MET A 124 -5.017 22.706 1.292 1.00 15.34 C ATOM 1899 O MET A 124 -5.802 22.823 0.349 1.00 23.32 O ATOM 1900 CB MET A 124 -3.750 20.632 1.901 1.00 21.31 C ATOM 1901 CG MET A 124 -4.816 19.667 1.406 1.00 65.42 C ATOM 1902 SD MET A 124 -4.889 18.148 2.375 1.00 55.33 S ATOM 1903 CE MET A 124 -3.223 17.517 2.162 1.00 75.22 C ATOM 0 H MET A 124 -1.970 22.304 2.254 1.00 63.41 H new ATOM 0 HA MET A 124 -3.566 21.732 0.065 1.00 14.44 H new ATOM 0 HB2 MET A 124 -2.776 20.148 1.835 1.00 21.31 H new ATOM 0 HB3 MET A 124 -3.929 20.847 2.954 1.00 21.31 H new ATOM 0 HG2 MET A 124 -5.788 20.159 1.437 1.00 65.42 H new ATOM 0 HG3 MET A 124 -4.618 19.418 0.363 1.00 65.42 H new ATOM 0 HE1 MET A 124 -3.256 16.433 2.050 1.00 75.22 H new ATOM 0 HE2 MET A 124 -2.777 17.960 1.272 1.00 75.22 H new ATOM 0 HE3 MET A 124 -2.622 17.773 3.035 1.00 75.22 H new ATOM 2057 N ARG A 134 -4.148 12.434 -1.130 1.00 11.35 N ATOM 2058 CA ARG A 134 -3.135 11.410 -0.954 1.00 32.01 C ATOM 2059 C ARG A 134 -2.372 11.199 -2.256 1.00 33.33 C ATOM 2060 O ARG A 134 -2.616 10.240 -2.986 1.00 60.01 O ATOM 2061 CB ARG A 134 -3.808 10.118 -0.489 1.00 73.55 C ATOM 2062 CG ARG A 134 -5.107 9.835 -1.230 1.00 30.45 C ATOM 2063 CD ARG A 134 -5.948 8.782 -0.535 1.00 12.10 C ATOM 2064 NE ARG A 134 -7.262 8.648 -1.159 1.00 33.13 N ATOM 2065 CZ ARG A 134 -7.862 7.485 -1.391 1.00 50.42 C ATOM 2066 NH1 ARG A 134 -7.299 6.348 -1.004 1.00 12.44 N ATOM 2067 NH2 ARG A 134 -9.041 7.462 -1.995 1.00 41.03 N ATOM 0 HA ARG A 134 -2.416 11.723 -0.197 1.00 32.01 H new ATOM 0 HB2 ARG A 134 -3.122 9.283 -0.634 1.00 73.55 H new ATOM 0 HB3 ARG A 134 -4.011 10.183 0.580 1.00 73.55 H new ATOM 0 HG2 ARG A 134 -5.682 10.757 -1.316 1.00 30.45 H new ATOM 0 HG3 ARG A 134 -4.880 9.505 -2.244 1.00 30.45 H new ATOM 0 HD2 ARG A 134 -5.430 7.823 -0.565 1.00 12.10 H new ATOM 0 HD3 ARG A 134 -6.068 9.046 0.516 1.00 12.10 H new ATOM 0 HE ARG A 134 -7.750 9.501 -1.434 1.00 33.13 H new ATOM 0 HH11 ARG A 134 -6.399 6.362 -0.524 1.00 12.44 H new ATOM 0 HH12 ARG A 134 -7.766 5.460 -1.186 1.00 12.44 H new ATOM 0 HH21 ARG A 134 -9.485 8.335 -2.280 1.00 41.03 H new ATOM 0 HH22 ARG A 134 -9.505 6.571 -2.175 1.00 41.03 H new ATOM 2081 N ASP A 135 -1.460 12.120 -2.543 1.00 21.21 N ATOM 2082 CA ASP A 135 -0.718 12.123 -3.803 1.00 3.52 C ATOM 2083 C ASP A 135 0.059 10.828 -4.002 1.00 73.32 C ATOM 2084 O ASP A 135 0.036 10.245 -5.086 1.00 62.23 O ATOM 2085 CB ASP A 135 0.245 13.313 -3.869 1.00 53.03 C ATOM 2086 CG ASP A 135 -0.470 14.648 -3.929 1.00 63.53 C ATOM 2087 OD1 ASP A 135 -0.875 15.059 -5.037 1.00 44.43 O ATOM 2088 OD2 ASP A 135 -0.624 15.293 -2.871 1.00 24.24 O ATOM 0 H ASP A 135 -1.213 12.884 -1.914 1.00 21.21 H new ATOM 0 HA ASP A 135 -1.452 12.211 -4.604 1.00 3.52 H new ATOM 0 HB2 ASP A 135 0.897 13.295 -2.996 1.00 53.03 H new ATOM 0 HB3 ASP A 135 0.884 13.209 -4.746 1.00 53.03 H new ATOM 2093 N ASP A 136 0.728 10.375 -2.946 1.00 43.15 N ATOM 2094 CA ASP A 136 1.553 9.169 -3.019 1.00 53.33 C ATOM 2095 C ASP A 136 0.714 7.952 -3.397 1.00 12.42 C ATOM 2096 O ASP A 136 1.033 7.245 -4.357 1.00 21.51 O ATOM 2097 CB ASP A 136 2.269 8.913 -1.690 1.00 72.34 C ATOM 2098 CG ASP A 136 3.248 7.756 -1.778 1.00 72.21 C ATOM 2099 OD1 ASP A 136 4.401 7.981 -2.206 1.00 30.51 O ATOM 2100 OD2 ASP A 136 2.878 6.623 -1.408 1.00 12.00 O ATOM 0 H ASP A 136 0.716 10.823 -2.030 1.00 43.15 H new ATOM 0 HA ASP A 136 2.301 9.332 -3.795 1.00 53.33 H new ATOM 0 HB2 ASP A 136 2.801 9.815 -1.387 1.00 72.34 H new ATOM 0 HB3 ASP A 136 1.531 8.703 -0.916 1.00 72.34 H new ATOM 2105 N LEU A 137 -0.370 7.723 -2.657 1.00 30.33 N ATOM 2106 CA LEU A 137 -1.243 6.583 -2.918 1.00 72.12 C ATOM 2107 C LEU A 137 -1.986 6.746 -4.242 1.00 41.42 C ATOM 2108 O LEU A 137 -2.217 5.771 -4.952 1.00 70.04 O ATOM 2109 CB LEU A 137 -2.268 6.385 -1.792 1.00 13.43 C ATOM 2110 CG LEU A 137 -2.153 5.070 -1.001 1.00 71.34 C ATOM 2111 CD1 LEU A 137 -1.667 3.933 -1.889 1.00 51.14 C ATOM 2112 CD2 LEU A 137 -1.261 5.233 0.223 1.00 35.03 C ATOM 0 H LEU A 137 -0.663 8.310 -1.876 1.00 30.33 H new ATOM 0 HA LEU A 137 -0.600 5.705 -2.970 1.00 72.12 H new ATOM 0 HB2 LEU A 137 -2.176 7.216 -1.093 1.00 13.43 H new ATOM 0 HB3 LEU A 137 -3.268 6.441 -2.223 1.00 13.43 H new ATOM 0 HG LEU A 137 -3.151 4.812 -0.648 1.00 71.34 H new ATOM 0 HD11 LEU A 137 -1.596 3.018 -1.302 1.00 51.14 H new ATOM 0 HD12 LEU A 137 -2.371 3.785 -2.708 1.00 51.14 H new ATOM 0 HD13 LEU A 137 -0.686 4.181 -2.294 1.00 51.14 H new ATOM 0 HD21 LEU A 137 -1.202 4.286 0.759 1.00 35.03 H new ATOM 0 HD22 LEU A 137 -0.262 5.535 -0.092 1.00 35.03 H new ATOM 0 HD23 LEU A 137 -1.680 5.995 0.880 1.00 35.03 H new ATOM 2124 N MET A 138 -2.367 7.975 -4.569 1.00 4.34 N ATOM 2125 CA MET A 138 -3.130 8.238 -5.784 1.00 21.24 C ATOM 2126 C MET A 138 -2.282 7.984 -7.024 1.00 72.12 C ATOM 2127 O MET A 138 -2.753 7.404 -8.005 1.00 53.12 O ATOM 2128 CB MET A 138 -3.654 9.674 -5.793 1.00 10.21 C ATOM 2129 CG MET A 138 -4.594 9.966 -6.949 1.00 54.21 C ATOM 2130 SD MET A 138 -5.919 8.748 -7.085 1.00 52.30 S ATOM 2131 CE MET A 138 -6.537 8.732 -5.402 1.00 74.42 C ATOM 0 H MET A 138 -2.161 8.804 -4.011 1.00 4.34 H new ATOM 0 HA MET A 138 -3.979 7.555 -5.799 1.00 21.24 H new ATOM 0 HB2 MET A 138 -4.173 9.869 -4.854 1.00 10.21 H new ATOM 0 HB3 MET A 138 -2.809 10.361 -5.839 1.00 10.21 H new ATOM 0 HG2 MET A 138 -5.028 10.957 -6.819 1.00 54.21 H new ATOM 0 HG3 MET A 138 -4.026 9.986 -7.879 1.00 54.21 H new ATOM 0 HE1 MET A 138 -7.592 8.458 -5.404 1.00 74.42 H new ATOM 0 HE2 MET A 138 -5.975 8.006 -4.815 1.00 74.42 H new ATOM 0 HE3 MET A 138 -6.420 9.722 -4.962 1.00 74.42 H new ATOM 2141 N ARG A 139 -1.030 8.412 -6.968 1.00 42.32 N ATOM 2142 CA ARG A 139 -0.091 8.167 -8.051 1.00 42.24 C ATOM 2143 C ARG A 139 0.135 6.666 -8.197 1.00 2.20 C ATOM 2144 O ARG A 139 0.266 6.146 -9.302 1.00 2.23 O ATOM 2145 CB ARG A 139 1.225 8.891 -7.759 1.00 72.13 C ATOM 2146 CG ARG A 139 2.261 8.797 -8.865 1.00 74.32 C ATOM 2147 CD ARG A 139 3.469 9.656 -8.540 1.00 62.13 C ATOM 2148 NE ARG A 139 4.520 9.536 -9.545 1.00 63.33 N ATOM 2149 CZ ARG A 139 5.264 10.552 -9.971 1.00 44.13 C ATOM 2150 NH1 ARG A 139 5.006 11.790 -9.566 1.00 25.12 N ATOM 2151 NH2 ARG A 139 6.254 10.330 -10.826 1.00 41.53 N ATOM 0 H ARG A 139 -0.640 8.932 -6.182 1.00 42.32 H new ATOM 0 HA ARG A 139 -0.496 8.549 -8.988 1.00 42.24 H new ATOM 0 HB2 ARG A 139 1.011 9.943 -7.569 1.00 72.13 H new ATOM 0 HB3 ARG A 139 1.653 8.483 -6.843 1.00 72.13 H new ATOM 0 HG2 ARG A 139 2.570 7.760 -8.994 1.00 74.32 H new ATOM 0 HG3 ARG A 139 1.823 9.119 -9.810 1.00 74.32 H new ATOM 0 HD2 ARG A 139 3.161 10.699 -8.463 1.00 62.13 H new ATOM 0 HD3 ARG A 139 3.866 9.368 -7.566 1.00 62.13 H new ATOM 0 HE ARG A 139 4.695 8.615 -9.946 1.00 63.33 H new ATOM 0 HH11 ARG A 139 4.233 11.966 -8.924 1.00 25.12 H new ATOM 0 HH12 ARG A 139 5.581 12.565 -9.897 1.00 25.12 H new ATOM 0 HH21 ARG A 139 6.442 9.383 -11.154 1.00 41.53 H new ATOM 0 HH22 ARG A 139 6.827 11.107 -11.155 1.00 41.53 H new ATOM 2165 N PHE A 140 0.144 5.978 -7.062 1.00 62.12 N ATOM 2166 CA PHE A 140 0.239 4.523 -7.028 1.00 72.31 C ATOM 2167 C PHE A 140 -0.989 3.896 -7.694 1.00 53.45 C ATOM 2168 O PHE A 140 -0.867 3.029 -8.561 1.00 31.31 O ATOM 2169 CB PHE A 140 0.351 4.063 -5.568 1.00 42.24 C ATOM 2170 CG PHE A 140 0.484 2.578 -5.374 1.00 55.21 C ATOM 2171 CD1 PHE A 140 -0.639 1.770 -5.286 1.00 54.50 C ATOM 2172 CD2 PHE A 140 1.734 1.995 -5.258 1.00 70.02 C ATOM 2173 CE1 PHE A 140 -0.517 0.410 -5.090 1.00 2.25 C ATOM 2174 CE2 PHE A 140 1.862 0.637 -5.057 1.00 63.13 C ATOM 2175 CZ PHE A 140 0.734 -0.158 -4.975 1.00 0.51 C ATOM 0 H PHE A 140 0.086 6.411 -6.141 1.00 62.12 H new ATOM 0 HA PHE A 140 1.124 4.202 -7.577 1.00 72.31 H new ATOM 0 HB2 PHE A 140 1.214 4.551 -5.115 1.00 42.24 H new ATOM 0 HB3 PHE A 140 -0.530 4.407 -5.027 1.00 42.24 H new ATOM 0 HD1 PHE A 140 -1.621 2.211 -5.372 1.00 54.50 H new ATOM 0 HD2 PHE A 140 2.619 2.611 -5.326 1.00 70.02 H new ATOM 0 HE1 PHE A 140 -1.400 -0.209 -5.027 1.00 2.25 H new ATOM 0 HE2 PHE A 140 2.843 0.195 -4.964 1.00 63.13 H new ATOM 0 HZ PHE A 140 0.833 -1.222 -4.821 1.00 0.51 H new ATOM 2185 N LYS A 141 -2.164 4.358 -7.278 1.00 1.12 N ATOM 2186 CA LYS A 141 -3.442 3.872 -7.793 1.00 10.54 C ATOM 2187 C LYS A 141 -3.517 4.003 -9.309 1.00 33.33 C ATOM 2188 O LYS A 141 -3.848 3.044 -10.007 1.00 42.40 O ATOM 2189 CB LYS A 141 -4.583 4.660 -7.125 1.00 62.43 C ATOM 2190 CG LYS A 141 -5.994 4.169 -7.441 1.00 35.11 C ATOM 2191 CD LYS A 141 -6.566 4.815 -8.696 1.00 44.21 C ATOM 2192 CE LYS A 141 -8.035 4.464 -8.873 1.00 10.13 C ATOM 2193 NZ LYS A 141 -8.605 5.048 -10.116 1.00 43.33 N ATOM 0 H LYS A 141 -2.258 5.085 -6.569 1.00 1.12 H new ATOM 0 HA LYS A 141 -3.538 2.813 -7.556 1.00 10.54 H new ATOM 0 HB2 LYS A 141 -4.439 4.628 -6.045 1.00 62.43 H new ATOM 0 HB3 LYS A 141 -4.505 5.705 -7.426 1.00 62.43 H new ATOM 0 HG2 LYS A 141 -5.979 3.086 -7.567 1.00 35.11 H new ATOM 0 HG3 LYS A 141 -6.648 4.382 -6.595 1.00 35.11 H new ATOM 0 HD2 LYS A 141 -6.453 5.897 -8.635 1.00 44.21 H new ATOM 0 HD3 LYS A 141 -6.002 4.484 -9.568 1.00 44.21 H new ATOM 0 HE2 LYS A 141 -8.148 3.380 -8.898 1.00 10.13 H new ATOM 0 HE3 LYS A 141 -8.599 4.824 -8.012 1.00 10.13 H new ATOM 0 HZ1 LYS A 141 -9.612 4.798 -10.187 1.00 43.33 H new ATOM 0 HZ2 LYS A 141 -8.507 6.083 -10.090 1.00 43.33 H new ATOM 0 HZ3 LYS A 141 -8.096 4.672 -10.941 1.00 43.33 H new ATOM 2207 N ARG A 142 -3.198 5.188 -9.814 1.00 10.21 N ATOM 2208 CA ARG A 142 -3.309 5.460 -11.239 1.00 61.12 C ATOM 2209 C ARG A 142 -2.384 4.548 -12.042 1.00 42.32 C ATOM 2210 O ARG A 142 -2.796 3.957 -13.042 1.00 34.25 O ATOM 2211 CB ARG A 142 -2.986 6.925 -11.530 1.00 40.40 C ATOM 2212 CG ARG A 142 -3.303 7.342 -12.956 1.00 0.22 C ATOM 2213 CD ARG A 142 -2.991 8.810 -13.188 1.00 23.42 C ATOM 2214 NE ARG A 142 -3.342 9.234 -14.542 1.00 1.30 N ATOM 2215 CZ ARG A 142 -3.097 10.448 -15.032 1.00 44.24 C ATOM 2216 NH1 ARG A 142 -2.512 11.374 -14.279 1.00 14.33 N ATOM 2217 NH2 ARG A 142 -3.446 10.736 -16.278 1.00 71.14 N ATOM 0 H ARG A 142 -2.861 5.974 -9.258 1.00 10.21 H new ATOM 0 HA ARG A 142 -4.337 5.259 -11.542 1.00 61.12 H new ATOM 0 HB2 ARG A 142 -3.547 7.557 -10.842 1.00 40.40 H new ATOM 0 HB3 ARG A 142 -1.928 7.102 -11.334 1.00 40.40 H new ATOM 0 HG2 ARG A 142 -2.727 6.732 -13.651 1.00 0.22 H new ATOM 0 HG3 ARG A 142 -4.356 7.155 -13.165 1.00 0.22 H new ATOM 0 HD2 ARG A 142 -3.537 9.416 -12.465 1.00 23.42 H new ATOM 0 HD3 ARG A 142 -1.929 8.987 -13.016 1.00 23.42 H new ATOM 0 HE ARG A 142 -3.804 8.558 -15.150 1.00 1.30 H new ATOM 0 HH11 ARG A 142 -2.247 11.157 -13.318 1.00 14.33 H new ATOM 0 HH12 ARG A 142 -2.328 12.301 -14.662 1.00 14.33 H new ATOM 0 HH21 ARG A 142 -3.900 10.029 -16.857 1.00 71.14 H new ATOM 0 HH22 ARG A 142 -3.261 11.664 -16.658 1.00 71.14 H new ATOM 2231 N GLU A 143 -1.146 4.412 -11.581 1.00 63.30 N ATOM 2232 CA GLU A 143 -0.153 3.604 -12.281 1.00 45.22 C ATOM 2233 C GLU A 143 -0.532 2.125 -12.289 1.00 60.20 C ATOM 2234 O GLU A 143 -0.172 1.397 -13.212 1.00 32.12 O ATOM 2235 CB GLU A 143 1.233 3.784 -11.656 1.00 42.50 C ATOM 2236 CG GLU A 143 1.800 5.184 -11.819 1.00 31.23 C ATOM 2237 CD GLU A 143 1.924 5.598 -13.272 1.00 24.42 C ATOM 2238 OE1 GLU A 143 2.917 5.210 -13.925 1.00 13.22 O ATOM 2239 OE2 GLU A 143 1.032 6.309 -13.769 1.00 74.21 O ATOM 0 H GLU A 143 -0.805 4.851 -10.725 1.00 63.30 H new ATOM 0 HA GLU A 143 -0.125 3.952 -13.314 1.00 45.22 H new ATOM 0 HB2 GLU A 143 1.176 3.546 -10.594 1.00 42.50 H new ATOM 0 HB3 GLU A 143 1.921 3.068 -12.107 1.00 42.50 H new ATOM 0 HG2 GLU A 143 1.160 5.894 -11.296 1.00 31.23 H new ATOM 0 HG3 GLU A 143 2.781 5.232 -11.347 1.00 31.23 H new ATOM 2246 N GLN A 144 -1.260 1.676 -11.272 1.00 12.45 N ATOM 2247 CA GLN A 144 -1.683 0.281 -11.220 1.00 52.32 C ATOM 2248 C GLN A 144 -2.708 -0.022 -12.305 1.00 2.01 C ATOM 2249 O GLN A 144 -2.705 -1.114 -12.873 1.00 72.23 O ATOM 2250 CB GLN A 144 -2.250 -0.097 -9.848 1.00 24.50 C ATOM 2251 CG GLN A 144 -1.201 -0.244 -8.753 1.00 23.35 C ATOM 2252 CD GLN A 144 -0.180 -1.338 -9.039 1.00 53.43 C ATOM 2253 OE1 GLN A 144 0.115 -1.661 -10.191 1.00 14.22 O ATOM 2254 NE2 GLN A 144 0.370 -1.918 -7.985 1.00 3.53 N ATOM 0 H GLN A 144 -1.566 2.247 -10.484 1.00 12.45 H new ATOM 0 HA GLN A 144 -0.792 -0.323 -11.394 1.00 52.32 H new ATOM 0 HB2 GLN A 144 -2.971 0.662 -9.544 1.00 24.50 H new ATOM 0 HB3 GLN A 144 -2.796 -1.036 -9.940 1.00 24.50 H new ATOM 0 HG2 GLN A 144 -0.680 0.706 -8.628 1.00 23.35 H new ATOM 0 HG3 GLN A 144 -1.700 -0.460 -7.808 1.00 23.35 H new ATOM 0 HE21 GLN A 144 0.103 -1.626 -7.045 1.00 3.53 H new ATOM 0 HE22 GLN A 144 1.061 -2.657 -8.112 1.00 3.53 H new ATOM 2263 N GLU A 145 -3.576 0.934 -12.598 1.00 12.35 N ATOM 2264 CA GLU A 145 -4.562 0.745 -13.650 1.00 74.10 C ATOM 2265 C GLU A 145 -3.917 0.941 -15.014 1.00 73.00 C ATOM 2266 O GLU A 145 -4.240 0.238 -15.970 1.00 75.23 O ATOM 2267 CB GLU A 145 -5.737 1.702 -13.479 1.00 30.15 C ATOM 2268 CG GLU A 145 -6.455 1.536 -12.155 1.00 54.53 C ATOM 2269 CD GLU A 145 -7.789 2.242 -12.124 1.00 73.05 C ATOM 2270 OE1 GLU A 145 -7.809 3.480 -12.006 1.00 12.22 O ATOM 2271 OE2 GLU A 145 -8.825 1.551 -12.218 1.00 65.33 O ATOM 0 H GLU A 145 -3.618 1.838 -12.128 1.00 12.35 H new ATOM 0 HA GLU A 145 -4.943 -0.274 -13.580 1.00 74.10 H new ATOM 0 HB2 GLU A 145 -5.377 2.727 -13.564 1.00 30.15 H new ATOM 0 HB3 GLU A 145 -6.446 1.545 -14.292 1.00 30.15 H new ATOM 0 HG2 GLU A 145 -6.606 0.474 -11.958 1.00 54.53 H new ATOM 0 HG3 GLU A 145 -5.825 1.922 -11.354 1.00 54.53 H new ATOM 2278 N LEU A 146 -2.999 1.892 -15.090 1.00 33.43 N ATOM 2279 CA LEU A 146 -2.256 2.143 -16.314 1.00 43.45 C ATOM 2280 C LEU A 146 -1.371 0.952 -16.660 1.00 64.24 C ATOM 2281 O LEU A 146 -1.268 0.558 -17.820 1.00 33.11 O ATOM 2282 CB LEU A 146 -1.415 3.413 -16.169 1.00 14.22 C ATOM 2283 CG LEU A 146 -2.216 4.713 -16.062 1.00 72.14 C ATOM 2284 CD1 LEU A 146 -1.284 5.910 -15.977 1.00 51.22 C ATOM 2285 CD2 LEU A 146 -3.169 4.859 -17.240 1.00 3.44 C ATOM 0 H LEU A 146 -2.750 2.505 -14.314 1.00 33.43 H new ATOM 0 HA LEU A 146 -2.967 2.286 -17.128 1.00 43.45 H new ATOM 0 HB2 LEU A 146 -0.789 3.316 -15.282 1.00 14.22 H new ATOM 0 HB3 LEU A 146 -0.745 3.487 -17.026 1.00 14.22 H new ATOM 0 HG LEU A 146 -2.808 4.673 -15.148 1.00 72.14 H new ATOM 0 HD11 LEU A 146 -1.872 6.825 -15.902 1.00 51.22 H new ATOM 0 HD12 LEU A 146 -0.648 5.814 -15.097 1.00 51.22 H new ATOM 0 HD13 LEU A 146 -0.662 5.951 -16.871 1.00 51.22 H new ATOM 0 HD21 LEU A 146 -3.728 5.790 -17.143 1.00 3.44 H new ATOM 0 HD22 LEU A 146 -2.599 4.873 -18.169 1.00 3.44 H new ATOM 0 HD23 LEU A 146 -3.863 4.019 -17.253 1.00 3.44 H new ATOM 2297 N GLY A 147 -0.749 0.368 -15.643 1.00 75.40 N ATOM 2298 CA GLY A 147 0.061 -0.818 -15.842 1.00 65.43 C ATOM 2299 C GLY A 147 -0.783 -2.075 -15.936 1.00 41.52 C ATOM 2300 O GLY A 147 -0.582 -3.026 -15.175 1.00 21.22 O ATOM 0 H GLY A 147 -0.792 0.697 -14.679 1.00 75.40 H new ATOM 0 HA2 GLY A 147 0.648 -0.707 -16.754 1.00 65.43 H new ATOM 0 HA3 GLY A 147 0.767 -0.917 -15.018 1.00 65.43 H new