USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 815 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 108 SER OG : rot 180:sc= 0.983 USER MOD Set 1.2: A 124 THR OG1 : rot -102:sc= 1.15 USER MOD Set 2.1: A 95 CYS SG : rot -168:sc= -1.43 USER MOD Set 2.2: A 97 GLN : amide:sc= -1.91 K(o=-3.3,f=-3.9) USER MOD Single : A 4 SER OG : rot -10:sc= 0.724! USER MOD Single : A 6 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 169:sc= -5.47! USER MOD Single : A 14 ASN : amide:sc= -1.88 X(o=-1.9,f=-2.1) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.149 (180deg=-0.565) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -3.01 X(o=-3,f=-2.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.757 USER MOD Single : A 51 TYR OH : rot 180:sc= -1.6 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.58! K(o=-1.6!,f=0.016) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.426 USER MOD Single : A 82 LYS NZ :NH3+ -145:sc=-0.000152 (180deg=-0.585) USER MOD Single : A 83 SER OG : rot 116:sc= 0.412 USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= -0.809 (180deg=-1.08) USER MOD Single : A 89 SER OG : rot 180:sc= -0.126 USER MOD Single : A 91 ASN : amide:sc= -1.54 K(o=-1.5,f=-8.4!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 172:sc= -4.89! (180deg=-4.92!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 110 THR OG1 : rot 6:sc= 1.07 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 123 MET CE :methyl -166:sc= -0.72 (180deg=-1.32) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 -13.107 2.754 6.363 1.00 0.00 N ATOM 32 CA PHE A 3 -12.315 2.580 5.089 1.00 0.00 C ATOM 33 C PHE A 3 -13.149 3.013 3.867 1.00 0.00 C ATOM 34 O PHE A 3 -12.662 3.718 3.005 1.00 0.00 O ATOM 35 CB PHE A 3 -11.846 1.131 4.854 1.00 0.00 C ATOM 36 CG PHE A 3 -10.918 0.657 5.951 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.433 0.131 7.144 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.530 0.696 5.752 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.581 -0.357 8.118 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.673 0.214 6.744 1.00 0.00 C ATOM 41 CZ PHE A 3 -9.204 -0.322 7.932 1.00 0.00 C ATOM 0 HA PHE A 3 -11.433 3.210 5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.713 0.472 4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.336 1.065 3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.501 0.107 7.303 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.125 1.097 4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.989 -0.768 9.030 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.603 0.253 6.599 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.544 -0.705 8.696 1.00 0.00 H new ATOM 51 N SER A 4 -14.390 2.583 3.769 1.00 0.00 N ATOM 52 CA SER A 4 -15.242 2.950 2.593 1.00 0.00 C ATOM 53 C SER A 4 -15.224 4.470 2.365 1.00 0.00 C ATOM 54 O SER A 4 -15.527 5.238 3.259 1.00 0.00 O ATOM 55 CB SER A 4 -16.682 2.494 2.856 1.00 0.00 C ATOM 56 OG SER A 4 -17.365 3.464 3.643 1.00 0.00 O ATOM 0 H SER A 4 -14.849 1.990 4.460 1.00 0.00 H new ATOM 0 HA SER A 4 -14.847 2.459 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.204 2.348 1.910 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.679 1.533 3.370 1.00 0.00 H new ATOM 0 HG SER A 4 -16.724 4.129 3.972 1.00 0.00 H new ATOM 62 N GLY A 5 -14.882 4.904 1.178 1.00 0.00 N ATOM 63 CA GLY A 5 -14.858 6.369 0.896 1.00 0.00 C ATOM 64 C GLY A 5 -13.640 6.718 0.055 1.00 0.00 C ATOM 65 O GLY A 5 -12.619 6.057 0.106 1.00 0.00 O ATOM 0 H GLY A 5 -14.619 4.307 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.768 6.662 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.836 6.927 1.832 1.00 0.00 H new ATOM 69 N ASN A 6 -13.738 7.779 -0.689 1.00 0.00 N ATOM 70 CA ASN A 6 -12.590 8.229 -1.516 1.00 0.00 C ATOM 71 C ASN A 6 -11.610 8.889 -0.567 1.00 0.00 C ATOM 72 O ASN A 6 -12.011 9.392 0.468 1.00 0.00 O ATOM 73 CB ASN A 6 -13.061 9.232 -2.572 1.00 0.00 C ATOM 74 CG ASN A 6 -11.916 9.526 -3.544 1.00 0.00 C ATOM 75 OD1 ASN A 6 -11.033 10.304 -3.243 1.00 0.00 O ATOM 76 ND2 ASN A 6 -11.895 8.932 -4.706 1.00 0.00 N ATOM 0 H ASN A 6 -14.573 8.360 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.129 7.392 -2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.918 8.831 -3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.390 10.154 -2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.137 9.121 -5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.637 8.279 -4.958 1.00 0.00 H new ATOM 83 N TRP A 7 -10.337 8.859 -0.862 1.00 0.00 N ATOM 84 CA TRP A 7 -9.369 9.458 0.103 1.00 0.00 C ATOM 85 C TRP A 7 -8.438 10.460 -0.544 1.00 0.00 C ATOM 86 O TRP A 7 -7.857 10.222 -1.586 1.00 0.00 O ATOM 87 CB TRP A 7 -8.543 8.342 0.707 1.00 0.00 C ATOM 88 CG TRP A 7 -9.442 7.389 1.401 1.00 0.00 C ATOM 89 CD1 TRP A 7 -9.930 6.244 0.880 1.00 0.00 C ATOM 90 CD2 TRP A 7 -9.986 7.503 2.732 1.00 0.00 C ATOM 91 NE1 TRP A 7 -10.707 5.622 1.838 1.00 0.00 N ATOM 92 CE2 TRP A 7 -10.778 6.369 3.000 1.00 0.00 C ATOM 93 CE3 TRP A 7 -9.852 8.477 3.723 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -11.420 6.208 4.230 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -10.499 8.338 4.949 1.00 0.00 C ATOM 96 CH2 TRP A 7 -11.284 7.202 5.210 1.00 0.00 C ATOM 0 H TRP A 7 -9.933 8.456 -1.708 1.00 0.00 H new ATOM 0 HA TRP A 7 -9.943 9.992 0.860 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.980 7.828 -0.072 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.816 8.751 1.409 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.744 5.876 -0.118 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -11.171 4.723 1.705 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -9.240 9.348 3.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -12.015 5.328 4.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.397 9.106 5.701 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.781 7.095 6.163 1.00 0.00 H new ATOM 107 N LYS A 8 -8.276 11.579 0.106 1.00 0.00 N ATOM 108 CA LYS A 8 -7.361 12.621 -0.410 1.00 0.00 C ATOM 109 C LYS A 8 -6.002 12.435 0.265 1.00 0.00 C ATOM 110 O LYS A 8 -5.923 11.976 1.391 1.00 0.00 O ATOM 111 CB LYS A 8 -7.913 14.018 -0.093 1.00 0.00 C ATOM 112 CG LYS A 8 -9.429 14.051 -0.321 1.00 0.00 C ATOM 113 CD LYS A 8 -9.737 13.783 -1.797 1.00 0.00 C ATOM 114 CE LYS A 8 -9.827 15.110 -2.552 1.00 0.00 C ATOM 115 NZ LYS A 8 -9.313 14.927 -3.940 1.00 0.00 N ATOM 0 H LYS A 8 -8.746 11.813 0.981 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.264 12.530 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.687 14.281 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.426 14.761 -0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.916 13.302 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.829 15.021 -0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.959 13.157 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.675 13.236 -1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.860 15.457 -2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.247 15.875 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.374 15.829 -4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.322 14.615 -3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.885 14.210 -4.430 1.00 0.00 H new ATOM 129 N ILE A 9 -4.936 12.771 -0.412 1.00 0.00 N ATOM 130 CA ILE A 9 -3.582 12.597 0.187 1.00 0.00 C ATOM 131 C ILE A 9 -3.402 13.581 1.350 1.00 0.00 C ATOM 132 O ILE A 9 -3.872 14.701 1.317 1.00 0.00 O ATOM 133 CB ILE A 9 -2.517 12.791 -0.915 1.00 0.00 C ATOM 134 CG1 ILE A 9 -1.234 12.016 -0.550 1.00 0.00 C ATOM 135 CG2 ILE A 9 -2.200 14.278 -1.145 1.00 0.00 C ATOM 136 CD1 ILE A 9 -0.509 12.660 0.641 1.00 0.00 C ATOM 0 H ILE A 9 -4.945 13.159 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.467 11.592 0.593 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.922 12.396 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.487 10.984 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.567 11.988 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.447 14.373 -1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.107 14.801 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.821 14.716 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.390 12.089 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.234 13.684 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.168 12.665 1.509 1.00 0.00 H new ATOM 148 N ILE A 10 -2.711 13.151 2.363 1.00 0.00 N ATOM 149 CA ILE A 10 -2.465 14.001 3.547 1.00 0.00 C ATOM 150 C ILE A 10 -1.159 13.509 4.185 1.00 0.00 C ATOM 151 O ILE A 10 -1.017 12.351 4.522 1.00 0.00 O ATOM 152 CB ILE A 10 -3.675 13.874 4.505 1.00 0.00 C ATOM 153 CG1 ILE A 10 -4.811 14.788 4.006 1.00 0.00 C ATOM 154 CG2 ILE A 10 -3.307 14.279 5.943 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.882 13.956 3.293 1.00 0.00 C ATOM 0 H ILE A 10 -2.297 12.220 2.418 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.361 15.056 3.295 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.990 12.831 4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.254 15.322 4.846 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.411 15.540 3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.182 14.176 6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.510 13.633 6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.968 15.315 5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.680 14.612 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.436 13.442 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.293 13.221 3.985 1.00 0.00 H new ATOM 167 N ARG A 11 -0.204 14.383 4.309 1.00 0.00 N ATOM 168 CA ARG A 11 1.121 14.007 4.891 1.00 0.00 C ATOM 169 C ARG A 11 1.783 12.952 4.003 1.00 0.00 C ATOM 170 O ARG A 11 1.390 11.801 3.992 1.00 0.00 O ATOM 171 CB ARG A 11 0.941 13.453 6.309 1.00 0.00 C ATOM 172 CG ARG A 11 1.020 14.601 7.316 1.00 0.00 C ATOM 173 CD ARG A 11 -0.282 15.403 7.274 1.00 0.00 C ATOM 174 NE ARG A 11 -0.506 16.057 8.593 1.00 0.00 N ATOM 175 CZ ARG A 11 -1.264 15.481 9.486 1.00 0.00 C ATOM 176 NH1 ARG A 11 -0.759 14.586 10.291 1.00 0.00 N ATOM 177 NH2 ARG A 11 -2.527 15.799 9.574 1.00 0.00 N ATOM 0 H ARG A 11 -0.282 15.360 4.028 1.00 0.00 H new ATOM 0 HA ARG A 11 1.754 14.893 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.020 12.946 6.394 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.712 12.713 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.186 14.209 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.866 15.247 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.233 16.155 6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.118 14.746 7.035 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.067 16.955 8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.228 14.337 10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.351 14.136 10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.922 16.498 8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.119 15.349 10.272 1.00 0.00 H new ATOM 191 N SER A 12 2.782 13.345 3.253 1.00 0.00 N ATOM 192 CA SER A 12 3.475 12.380 2.351 1.00 0.00 C ATOM 193 C SER A 12 4.989 12.602 2.426 1.00 0.00 C ATOM 194 O SER A 12 5.474 13.702 2.241 1.00 0.00 O ATOM 195 CB SER A 12 2.991 12.601 0.912 1.00 0.00 C ATOM 196 OG SER A 12 2.293 11.446 0.469 1.00 0.00 O ATOM 0 H SER A 12 3.147 14.297 3.228 1.00 0.00 H new ATOM 0 HA SER A 12 3.248 11.360 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.340 13.474 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.839 12.801 0.257 1.00 0.00 H new ATOM 0 HG SER A 12 1.833 11.645 -0.373 1.00 0.00 H new ATOM 202 N GLU A 13 5.733 11.559 2.688 1.00 0.00 N ATOM 203 CA GLU A 13 7.218 11.684 2.773 1.00 0.00 C ATOM 204 C GLU A 13 7.815 10.299 3.024 1.00 0.00 C ATOM 205 O GLU A 13 8.125 9.941 4.146 1.00 0.00 O ATOM 206 CB GLU A 13 7.591 12.620 3.926 1.00 0.00 C ATOM 207 CG GLU A 13 9.063 13.019 3.803 1.00 0.00 C ATOM 208 CD GLU A 13 9.526 13.673 5.106 1.00 0.00 C ATOM 209 OE1 GLU A 13 9.220 14.837 5.303 1.00 0.00 O ATOM 210 OE2 GLU A 13 10.179 12.998 5.885 1.00 0.00 O ATOM 0 H GLU A 13 5.372 10.619 2.848 1.00 0.00 H new ATOM 0 HA GLU A 13 7.609 12.094 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.960 13.508 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.416 12.125 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.672 12.141 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.195 13.710 2.970 1.00 0.00 H new ATOM 217 N ASN A 14 7.965 9.512 1.987 1.00 0.00 N ATOM 218 CA ASN A 14 8.529 8.138 2.168 1.00 0.00 C ATOM 219 C ASN A 14 9.180 7.617 0.878 1.00 0.00 C ATOM 220 O ASN A 14 10.109 6.845 0.948 1.00 0.00 O ATOM 221 CB ASN A 14 7.413 7.186 2.583 1.00 0.00 C ATOM 222 CG ASN A 14 7.131 7.352 4.077 1.00 0.00 C ATOM 223 OD1 ASN A 14 6.130 7.926 4.459 1.00 0.00 O ATOM 224 ND2 ASN A 14 7.978 6.871 4.946 1.00 0.00 N ATOM 0 H ASN A 14 7.723 9.760 1.028 1.00 0.00 H new ATOM 0 HA ASN A 14 9.297 8.189 2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.511 7.392 2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.700 6.157 2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.800 6.977 5.945 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.818 6.389 4.626 1.00 0.00 H new ATOM 231 N PHE A 15 8.695 8.008 -0.290 1.00 0.00 N ATOM 232 CA PHE A 15 9.280 7.507 -1.592 1.00 0.00 C ATOM 233 C PHE A 15 10.820 7.501 -1.554 1.00 0.00 C ATOM 234 O PHE A 15 11.446 6.510 -1.865 1.00 0.00 O ATOM 235 CB PHE A 15 8.805 8.398 -2.760 1.00 0.00 C ATOM 236 CG PHE A 15 8.822 7.644 -4.098 1.00 0.00 C ATOM 237 CD1 PHE A 15 9.578 6.468 -4.272 1.00 0.00 C ATOM 238 CD2 PHE A 15 8.077 8.140 -5.180 1.00 0.00 C ATOM 239 CE1 PHE A 15 9.588 5.805 -5.498 1.00 0.00 C ATOM 240 CE2 PHE A 15 8.093 7.470 -6.412 1.00 0.00 C ATOM 241 CZ PHE A 15 8.851 6.302 -6.567 1.00 0.00 C ATOM 0 H PHE A 15 7.915 8.656 -0.397 1.00 0.00 H new ATOM 0 HA PHE A 15 8.934 6.484 -1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.795 8.755 -2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.446 9.277 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.155 6.076 -3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.490 9.039 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.170 4.903 -5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.520 7.855 -7.243 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.863 5.788 -7.517 1.00 0.00 H new ATOM 251 N GLU A 16 11.434 8.576 -1.166 1.00 0.00 N ATOM 252 CA GLU A 16 12.925 8.585 -1.117 1.00 0.00 C ATOM 253 C GLU A 16 13.399 7.620 -0.036 1.00 0.00 C ATOM 254 O GLU A 16 14.368 6.906 -0.215 1.00 0.00 O ATOM 255 CB GLU A 16 13.439 10.000 -0.833 1.00 0.00 C ATOM 256 CG GLU A 16 12.871 10.508 0.496 1.00 0.00 C ATOM 257 CD GLU A 16 12.737 12.031 0.447 1.00 0.00 C ATOM 258 OE1 GLU A 16 13.735 12.701 0.655 1.00 0.00 O ATOM 259 OE2 GLU A 16 11.638 12.502 0.203 1.00 0.00 O ATOM 0 H GLU A 16 10.979 9.444 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 16 13.320 8.266 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.528 9.999 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.148 10.670 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.899 10.053 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.525 10.216 1.318 1.00 0.00 H new ATOM 266 N GLU A 17 12.707 7.569 1.071 1.00 0.00 N ATOM 267 CA GLU A 17 13.096 6.621 2.154 1.00 0.00 C ATOM 268 C GLU A 17 13.051 5.185 1.606 1.00 0.00 C ATOM 269 O GLU A 17 13.686 4.294 2.129 1.00 0.00 O ATOM 270 CB GLU A 17 12.112 6.756 3.314 1.00 0.00 C ATOM 271 CG GLU A 17 12.784 6.322 4.616 1.00 0.00 C ATOM 272 CD GLU A 17 11.965 6.824 5.806 1.00 0.00 C ATOM 273 OE1 GLU A 17 10.820 6.419 5.925 1.00 0.00 O ATOM 274 OE2 GLU A 17 12.496 7.605 6.579 1.00 0.00 O ATOM 0 H GLU A 17 11.889 8.144 1.272 1.00 0.00 H new ATOM 0 HA GLU A 17 14.104 6.847 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.772 7.788 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.230 6.144 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.866 5.236 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.797 6.720 4.665 1.00 0.00 H new ATOM 281 N LEU A 18 12.304 4.968 0.547 1.00 0.00 N ATOM 282 CA LEU A 18 12.202 3.613 -0.057 1.00 0.00 C ATOM 283 C LEU A 18 13.454 3.321 -0.846 1.00 0.00 C ATOM 284 O LEU A 18 14.067 2.284 -0.691 1.00 0.00 O ATOM 285 CB LEU A 18 11.008 3.538 -1.020 1.00 0.00 C ATOM 286 CG LEU A 18 9.806 4.355 -0.537 1.00 0.00 C ATOM 287 CD1 LEU A 18 8.605 3.998 -1.397 1.00 0.00 C ATOM 288 CD2 LEU A 18 9.466 4.070 0.922 1.00 0.00 C ATOM 0 H LEU A 18 11.756 5.687 0.074 1.00 0.00 H new ATOM 0 HA LEU A 18 12.071 2.890 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.315 3.898 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.709 2.497 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 18 10.059 5.412 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.738 4.571 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.821 4.234 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.393 2.933 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.607 4.672 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.227 3.013 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.321 4.321 1.550 1.00 0.00 H new ATOM 300 N LEU A 19 13.842 4.229 -1.695 1.00 0.00 N ATOM 301 CA LEU A 19 15.065 3.996 -2.493 1.00 0.00 C ATOM 302 C LEU A 19 16.313 4.323 -1.648 1.00 0.00 C ATOM 303 O LEU A 19 17.432 4.209 -2.111 1.00 0.00 O ATOM 304 CB LEU A 19 15.018 4.845 -3.776 1.00 0.00 C ATOM 305 CG LEU A 19 13.695 4.620 -4.571 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.130 3.197 -4.381 1.00 0.00 C ATOM 307 CD2 LEU A 19 12.648 5.641 -4.122 1.00 0.00 C ATOM 0 H LEU A 19 13.366 5.115 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 19 15.120 2.947 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.112 5.900 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.869 4.595 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 19 13.926 4.746 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.209 3.092 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.860 2.466 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.921 3.027 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.724 5.483 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.455 5.520 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.018 6.649 -4.312 1.00 0.00 H new ATOM 319 N LYS A 20 16.124 4.705 -0.403 1.00 0.00 N ATOM 320 CA LYS A 20 17.265 5.016 0.494 1.00 0.00 C ATOM 321 C LYS A 20 17.469 3.857 1.481 1.00 0.00 C ATOM 322 O LYS A 20 18.537 3.681 2.036 1.00 0.00 O ATOM 323 CB LYS A 20 16.923 6.276 1.285 1.00 0.00 C ATOM 324 CG LYS A 20 17.448 7.503 0.547 1.00 0.00 C ATOM 325 CD LYS A 20 17.616 8.666 1.530 1.00 0.00 C ATOM 326 CE LYS A 20 19.076 8.754 1.977 1.00 0.00 C ATOM 327 NZ LYS A 20 19.337 7.735 3.033 1.00 0.00 N ATOM 0 H LYS A 20 15.206 4.813 0.028 1.00 0.00 H new ATOM 0 HA LYS A 20 18.172 5.162 -0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.844 6.353 1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.363 6.223 2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.403 7.274 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.758 7.784 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.313 9.601 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.969 8.521 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.738 8.589 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.290 9.752 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.216 7.973 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.545 7.723 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.432 6.797 2.594 1.00 0.00 H new ATOM 341 N VAL A 21 16.441 3.079 1.707 1.00 0.00 N ATOM 342 CA VAL A 21 16.531 1.943 2.655 1.00 0.00 C ATOM 343 C VAL A 21 16.774 0.655 1.878 1.00 0.00 C ATOM 344 O VAL A 21 17.435 -0.246 2.359 1.00 0.00 O ATOM 345 CB VAL A 21 15.228 1.842 3.451 1.00 0.00 C ATOM 346 CG1 VAL A 21 15.008 3.136 4.236 1.00 0.00 C ATOM 347 CG2 VAL A 21 14.042 1.611 2.505 1.00 0.00 C ATOM 0 H VAL A 21 15.529 3.191 1.263 1.00 0.00 H new ATOM 0 HA VAL A 21 17.358 2.102 3.347 1.00 0.00 H new ATOM 0 HB VAL A 21 15.300 1.000 4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.080 3.064 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.841 3.292 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.946 3.976 3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.122 1.541 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.967 2.443 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.193 0.684 1.952 1.00 0.00 H new ATOM 357 N LEU A 22 16.281 0.570 0.658 1.00 0.00 N ATOM 358 CA LEU A 22 16.535 -0.657 -0.158 1.00 0.00 C ATOM 359 C LEU A 22 18.053 -0.851 -0.259 1.00 0.00 C ATOM 360 O LEU A 22 18.542 -1.946 -0.463 1.00 0.00 O ATOM 361 CB LEU A 22 15.896 -0.530 -1.567 1.00 0.00 C ATOM 362 CG LEU A 22 16.361 0.710 -2.352 1.00 0.00 C ATOM 363 CD1 LEU A 22 17.837 0.604 -2.770 1.00 0.00 C ATOM 364 CD2 LEU A 22 15.508 0.791 -3.620 1.00 0.00 C ATOM 0 H LEU A 22 15.721 1.290 0.202 1.00 0.00 H new ATOM 0 HA LEU A 22 16.079 -1.524 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 22 16.133 -1.424 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.812 -0.496 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 22 16.253 1.591 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.124 1.499 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 22 18.461 0.509 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.974 -0.272 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.808 1.660 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.650 -0.113 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.457 0.883 -3.346 1.00 0.00 H new ATOM 643 N VAL A 41 -6.764 8.195 -4.175 1.00 0.00 N ATOM 644 CA VAL A 41 -7.215 6.772 -4.173 1.00 0.00 C ATOM 645 C VAL A 41 -8.733 6.731 -3.972 1.00 0.00 C ATOM 646 O VAL A 41 -9.369 7.751 -3.775 1.00 0.00 O ATOM 647 CB VAL A 41 -6.478 6.004 -3.041 1.00 0.00 C ATOM 648 CG1 VAL A 41 -7.182 6.172 -1.685 1.00 0.00 C ATOM 649 CG2 VAL A 41 -6.401 4.509 -3.389 1.00 0.00 C ATOM 0 HA VAL A 41 -6.978 6.294 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.475 6.424 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.635 5.620 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.211 7.229 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.199 5.787 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.883 3.976 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.409 4.108 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.856 4.381 -4.324 1.00 0.00 H new ATOM 659 N GLU A 42 -9.301 5.561 -3.986 1.00 0.00 N ATOM 660 CA GLU A 42 -10.760 5.439 -3.758 1.00 0.00 C ATOM 661 C GLU A 42 -11.067 4.042 -3.239 1.00 0.00 C ATOM 662 O GLU A 42 -10.844 3.055 -3.916 1.00 0.00 O ATOM 663 CB GLU A 42 -11.518 5.703 -5.058 1.00 0.00 C ATOM 664 CG GLU A 42 -11.035 4.734 -6.138 1.00 0.00 C ATOM 665 CD GLU A 42 -11.198 5.380 -7.515 1.00 0.00 C ATOM 666 OE1 GLU A 42 -10.401 6.244 -7.840 1.00 0.00 O ATOM 667 OE2 GLU A 42 -12.117 5.000 -8.220 1.00 0.00 O ATOM 0 H GLU A 42 -8.813 4.680 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.079 6.176 -3.021 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.589 5.581 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.360 6.732 -5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.990 4.475 -5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.605 3.806 -6.090 1.00 0.00 H new ATOM 674 N ILE A 43 -11.572 3.953 -2.037 1.00 0.00 N ATOM 675 CA ILE A 43 -11.888 2.624 -1.462 1.00 0.00 C ATOM 676 C ILE A 43 -13.383 2.365 -1.578 1.00 0.00 C ATOM 677 O ILE A 43 -14.199 3.261 -1.476 1.00 0.00 O ATOM 678 CB ILE A 43 -11.446 2.579 -0.003 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.951 2.909 0.068 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.691 1.178 0.568 1.00 0.00 C ATOM 681 CD1 ILE A 43 -9.490 2.951 1.527 1.00 0.00 C ATOM 0 H ILE A 43 -11.778 4.748 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.354 1.848 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.015 3.304 0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.379 2.161 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.760 3.870 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.374 1.149 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.753 0.940 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.121 0.447 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.426 3.186 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.051 3.716 2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.664 1.981 1.992 1.00 0.00 H new ATOM 693 N LYS A 44 -13.731 1.139 -1.810 1.00 0.00 N ATOM 694 CA LYS A 44 -15.157 0.759 -1.963 1.00 0.00 C ATOM 695 C LYS A 44 -15.349 -0.558 -1.222 1.00 0.00 C ATOM 696 O LYS A 44 -14.812 -1.573 -1.613 1.00 0.00 O ATOM 697 CB LYS A 44 -15.443 0.594 -3.459 1.00 0.00 C ATOM 698 CG LYS A 44 -15.016 1.867 -4.197 1.00 0.00 C ATOM 699 CD LYS A 44 -15.698 1.933 -5.560 1.00 0.00 C ATOM 700 CE LYS A 44 -15.240 0.765 -6.437 1.00 0.00 C ATOM 701 NZ LYS A 44 -16.394 0.259 -7.232 1.00 0.00 N ATOM 0 H LYS A 44 -13.073 0.365 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.836 1.509 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.902 -0.267 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.504 0.405 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.279 2.745 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.933 1.879 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.780 1.901 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.461 2.878 -6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.440 1.088 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.835 -0.033 -5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.084 -0.535 -7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.144 -0.064 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.761 1.022 -7.835 1.00 0.00 H new ATOM 715 N GLN A 45 -16.056 -0.549 -0.122 1.00 0.00 N ATOM 716 CA GLN A 45 -16.194 -1.812 0.657 1.00 0.00 C ATOM 717 C GLN A 45 -17.605 -2.011 1.207 1.00 0.00 C ATOM 718 O GLN A 45 -18.335 -1.077 1.472 1.00 0.00 O ATOM 719 CB GLN A 45 -15.200 -1.760 1.818 1.00 0.00 C ATOM 720 CG GLN A 45 -15.476 -0.530 2.688 1.00 0.00 C ATOM 721 CD GLN A 45 -16.285 -0.943 3.923 1.00 0.00 C ATOM 722 OE1 GLN A 45 -15.788 -1.644 4.781 1.00 0.00 O ATOM 723 NE2 GLN A 45 -17.519 -0.536 4.051 1.00 0.00 N ATOM 0 H GLN A 45 -16.536 0.264 0.265 1.00 0.00 H new ATOM 0 HA GLN A 45 -15.992 -2.651 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.281 -2.666 2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.181 -1.723 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.536 -0.070 2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -16.025 0.217 2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -17.939 0.053 3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -18.063 -0.807 4.870 1.00 0.00 H new ATOM 732 N GLU A 46 -17.967 -3.251 1.393 1.00 0.00 N ATOM 733 CA GLU A 46 -19.299 -3.597 1.946 1.00 0.00 C ATOM 734 C GLU A 46 -19.103 -4.690 3.003 1.00 0.00 C ATOM 735 O GLU A 46 -19.176 -5.869 2.708 1.00 0.00 O ATOM 736 CB GLU A 46 -20.184 -4.126 0.821 1.00 0.00 C ATOM 737 CG GLU A 46 -21.651 -3.949 1.203 1.00 0.00 C ATOM 738 CD GLU A 46 -22.539 -4.286 0.004 1.00 0.00 C ATOM 739 OE1 GLU A 46 -22.554 -3.507 -0.934 1.00 0.00 O ATOM 740 OE2 GLU A 46 -23.188 -5.319 0.044 1.00 0.00 O ATOM 0 H GLU A 46 -17.378 -4.055 1.178 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.771 -2.722 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -19.971 -3.592 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -19.969 -5.179 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -21.898 -4.596 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.832 -2.924 1.525 1.00 0.00 H new ATOM 747 N GLY A 47 -18.830 -4.307 4.226 1.00 0.00 N ATOM 748 CA GLY A 47 -18.602 -5.322 5.300 1.00 0.00 C ATOM 749 C GLY A 47 -17.167 -5.844 5.192 1.00 0.00 C ATOM 750 O GLY A 47 -16.228 -5.075 5.106 1.00 0.00 O ATOM 0 H GLY A 47 -18.755 -3.335 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.768 -4.877 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.311 -6.144 5.199 1.00 0.00 H new ATOM 754 N ASP A 48 -16.989 -7.143 5.182 1.00 0.00 N ATOM 755 CA ASP A 48 -15.616 -7.714 5.064 1.00 0.00 C ATOM 756 C ASP A 48 -15.141 -7.668 3.606 1.00 0.00 C ATOM 757 O ASP A 48 -14.025 -8.051 3.310 1.00 0.00 O ATOM 758 CB ASP A 48 -15.623 -9.156 5.549 1.00 0.00 C ATOM 759 CG ASP A 48 -16.683 -9.953 4.787 1.00 0.00 C ATOM 760 OD1 ASP A 48 -16.485 -10.187 3.607 1.00 0.00 O ATOM 761 OD2 ASP A 48 -17.675 -10.316 5.398 1.00 0.00 O ATOM 0 H ASP A 48 -17.739 -7.831 5.251 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.935 -7.122 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.641 -9.604 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.829 -9.189 6.619 1.00 0.00 H new ATOM 766 N THR A 49 -15.956 -7.185 2.698 1.00 0.00 N ATOM 767 CA THR A 49 -15.521 -7.096 1.280 1.00 0.00 C ATOM 768 C THR A 49 -14.882 -5.726 1.069 1.00 0.00 C ATOM 769 O THR A 49 -15.334 -4.741 1.619 1.00 0.00 O ATOM 770 CB THR A 49 -16.738 -7.254 0.363 1.00 0.00 C ATOM 771 OG1 THR A 49 -17.370 -8.498 0.631 1.00 0.00 O ATOM 772 CG2 THR A 49 -16.300 -7.210 -1.103 1.00 0.00 C ATOM 0 H THR A 49 -16.902 -6.850 2.884 1.00 0.00 H new ATOM 0 HA THR A 49 -14.804 -7.883 1.047 1.00 0.00 H new ATOM 0 HB THR A 49 -17.436 -6.438 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.150 -8.601 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.172 -7.323 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.818 -6.255 -1.310 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.598 -8.021 -1.297 1.00 0.00 H new ATOM 780 N PHE A 50 -13.829 -5.650 0.297 1.00 0.00 N ATOM 781 CA PHE A 50 -13.173 -4.331 0.078 1.00 0.00 C ATOM 782 C PHE A 50 -12.623 -4.220 -1.342 1.00 0.00 C ATOM 783 O PHE A 50 -12.289 -5.195 -1.988 1.00 0.00 O ATOM 784 CB PHE A 50 -12.011 -4.151 1.060 1.00 0.00 C ATOM 785 CG PHE A 50 -12.524 -4.264 2.469 1.00 0.00 C ATOM 786 CD1 PHE A 50 -12.635 -5.519 3.061 1.00 0.00 C ATOM 787 CD2 PHE A 50 -12.901 -3.117 3.176 1.00 0.00 C ATOM 788 CE1 PHE A 50 -13.128 -5.636 4.359 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.391 -3.233 4.482 1.00 0.00 C ATOM 790 CZ PHE A 50 -13.507 -4.497 5.071 1.00 0.00 C ATOM 0 H PHE A 50 -13.399 -6.438 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.926 -3.559 0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.247 -4.907 0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.541 -3.179 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.339 -6.402 2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.814 -2.144 2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.217 -6.611 4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.679 -2.350 5.033 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.890 -4.591 6.076 1.00 0.00 H new ATOM 800 N TYR A 51 -12.494 -3.012 -1.795 1.00 0.00 N ATOM 801 CA TYR A 51 -11.931 -2.730 -3.136 1.00 0.00 C ATOM 802 C TYR A 51 -10.958 -1.575 -2.905 1.00 0.00 C ATOM 803 O TYR A 51 -11.176 -0.753 -2.033 1.00 0.00 O ATOM 804 CB TYR A 51 -13.088 -2.382 -4.105 1.00 0.00 C ATOM 805 CG TYR A 51 -12.690 -1.399 -5.192 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.543 -0.044 -4.886 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.525 -1.837 -6.509 1.00 0.00 C ATOM 808 CE1 TYR A 51 -12.236 0.873 -5.885 1.00 0.00 C ATOM 809 CE2 TYR A 51 -12.203 -0.915 -7.515 1.00 0.00 C ATOM 810 CZ TYR A 51 -12.063 0.441 -7.202 1.00 0.00 C ATOM 811 OH TYR A 51 -11.764 1.351 -8.195 1.00 0.00 O ATOM 0 H TYR A 51 -12.765 -2.179 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.410 -3.571 -3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.451 -3.299 -4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -13.917 -1.964 -3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.669 0.293 -3.868 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.645 -2.883 -6.751 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -12.131 1.920 -5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.063 -1.252 -8.532 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.676 0.883 -9.052 1.00 0.00 H new ATOM 821 N ILE A 52 -9.877 -1.525 -3.623 1.00 0.00 N ATOM 822 CA ILE A 52 -8.888 -0.436 -3.374 1.00 0.00 C ATOM 823 C ILE A 52 -8.247 -0.016 -4.692 1.00 0.00 C ATOM 824 O ILE A 52 -7.445 -0.738 -5.251 1.00 0.00 O ATOM 825 CB ILE A 52 -7.805 -0.943 -2.403 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.452 -1.776 -1.278 1.00 0.00 C ATOM 827 CG2 ILE A 52 -7.075 0.253 -1.791 1.00 0.00 C ATOM 828 CD1 ILE A 52 -7.384 -2.266 -0.294 1.00 0.00 C ATOM 0 H ILE A 52 -9.633 -2.181 -4.365 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.393 0.424 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.099 -1.568 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.192 -1.174 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.980 -2.628 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.308 -0.102 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.609 0.839 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.787 0.876 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.857 -2.852 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.659 -2.886 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.875 -1.409 0.147 1.00 0.00 H new ATOM 840 N LYS A 53 -8.600 1.140 -5.204 1.00 0.00 N ATOM 841 CA LYS A 53 -8.014 1.582 -6.502 1.00 0.00 C ATOM 842 C LYS A 53 -7.233 2.890 -6.345 1.00 0.00 C ATOM 843 O LYS A 53 -7.799 3.967 -6.320 1.00 0.00 O ATOM 844 CB LYS A 53 -9.136 1.764 -7.528 1.00 0.00 C ATOM 845 CG LYS A 53 -8.553 2.133 -8.900 1.00 0.00 C ATOM 846 CD LYS A 53 -9.469 3.152 -9.598 1.00 0.00 C ATOM 847 CE LYS A 53 -8.737 4.488 -9.754 1.00 0.00 C ATOM 848 NZ LYS A 53 -7.902 4.455 -10.988 1.00 0.00 N ATOM 0 H LYS A 53 -9.263 1.789 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.317 0.817 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.717 0.845 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.819 2.545 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.553 2.551 -8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.453 1.239 -9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.769 2.775 -10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.381 3.292 -9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.457 5.305 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.110 4.675 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.404 5.362 -11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.207 3.685 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.511 4.295 -11.815 1.00 0.00 H new ATOM 983 N GLU A 62 -5.947 -2.045 -8.984 1.00 0.00 N ATOM 984 CA GLU A 62 -6.759 -1.994 -7.731 1.00 0.00 C ATOM 985 C GLU A 62 -7.047 -3.420 -7.245 1.00 0.00 C ATOM 986 O GLU A 62 -7.229 -4.322 -8.043 1.00 0.00 O ATOM 987 CB GLU A 62 -8.080 -1.252 -8.007 1.00 0.00 C ATOM 988 CG GLU A 62 -8.934 -2.009 -9.034 1.00 0.00 C ATOM 989 CD GLU A 62 -8.367 -1.790 -10.438 1.00 0.00 C ATOM 990 OE1 GLU A 62 -7.890 -0.699 -10.699 1.00 0.00 O ATOM 991 OE2 GLU A 62 -8.421 -2.718 -11.229 1.00 0.00 O ATOM 0 HA GLU A 62 -6.205 -1.462 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.638 -1.139 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.867 -0.248 -8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.946 -3.073 -8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.966 -1.661 -8.990 1.00 0.00 H new ATOM 998 N ILE A 63 -7.101 -3.630 -5.950 1.00 0.00 N ATOM 999 CA ILE A 63 -7.393 -5.001 -5.438 1.00 0.00 C ATOM 1000 C ILE A 63 -8.863 -5.110 -5.050 1.00 0.00 C ATOM 1001 O ILE A 63 -9.282 -4.651 -4.005 1.00 0.00 O ATOM 1002 CB ILE A 63 -6.511 -5.364 -4.229 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -6.365 -4.173 -3.271 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -5.138 -5.796 -4.732 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -5.540 -4.586 -2.047 1.00 0.00 C ATOM 0 H ILE A 63 -6.957 -2.917 -5.235 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.168 -5.705 -6.239 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.984 -6.178 -3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.881 -3.341 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.349 -3.825 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.505 -6.055 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.245 -6.663 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.681 -4.978 -5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.440 -3.736 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.041 -5.404 -1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.551 -4.912 -2.368 1.00 0.00 H new ATOM 1017 N ASN A 64 -9.636 -5.750 -5.883 1.00 0.00 N ATOM 1018 CA ASN A 64 -11.082 -5.952 -5.566 1.00 0.00 C ATOM 1019 C ASN A 64 -11.188 -7.313 -4.888 1.00 0.00 C ATOM 1020 O ASN A 64 -11.539 -8.312 -5.486 1.00 0.00 O ATOM 1021 CB ASN A 64 -11.978 -5.904 -6.825 1.00 0.00 C ATOM 1022 CG ASN A 64 -11.262 -6.433 -8.084 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -11.459 -5.907 -9.161 1.00 0.00 O ATOM 1024 ND2 ASN A 64 -10.441 -7.447 -8.006 1.00 0.00 N ATOM 0 H ASN A 64 -9.330 -6.144 -6.773 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.435 -5.147 -4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.878 -6.494 -6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.299 -4.877 -6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.973 -7.790 -8.845 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.269 -7.896 -7.106 1.00 0.00 H new ATOM 1031 N PHE A 65 -10.825 -7.350 -3.642 1.00 0.00 N ATOM 1032 CA PHE A 65 -10.809 -8.634 -2.890 1.00 0.00 C ATOM 1033 C PHE A 65 -11.818 -8.613 -1.733 1.00 0.00 C ATOM 1034 O PHE A 65 -12.696 -7.782 -1.661 1.00 0.00 O ATOM 1035 CB PHE A 65 -9.376 -8.818 -2.331 1.00 0.00 C ATOM 1036 CG PHE A 65 -9.109 -7.775 -1.253 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -8.743 -6.474 -1.616 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -9.277 -8.097 0.101 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -8.541 -5.500 -0.640 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -9.083 -7.121 1.080 1.00 0.00 C ATOM 1041 CZ PHE A 65 -8.715 -5.821 0.711 1.00 0.00 C ATOM 0 H PHE A 65 -10.534 -6.535 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.088 -9.455 -3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.262 -9.820 -1.918 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.646 -8.720 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.616 -6.223 -2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.557 -9.100 0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.251 -4.500 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.217 -7.369 2.123 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.566 -5.066 1.469 1.00 0.00 H new ATOM 1051 N LYS A 66 -11.642 -9.523 -0.818 1.00 0.00 N ATOM 1052 CA LYS A 66 -12.494 -9.615 0.384 1.00 0.00 C ATOM 1053 C LYS A 66 -11.559 -10.038 1.505 1.00 0.00 C ATOM 1054 O LYS A 66 -10.915 -11.064 1.406 1.00 0.00 O ATOM 1055 CB LYS A 66 -13.566 -10.682 0.172 1.00 0.00 C ATOM 1056 CG LYS A 66 -14.904 -10.018 -0.164 1.00 0.00 C ATOM 1057 CD LYS A 66 -15.781 -10.993 -0.958 1.00 0.00 C ATOM 1058 CE LYS A 66 -16.809 -11.639 -0.025 1.00 0.00 C ATOM 1059 NZ LYS A 66 -17.436 -12.806 -0.708 1.00 0.00 N ATOM 0 H LYS A 66 -10.910 -10.232 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.998 -8.674 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.270 -11.352 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.668 -11.291 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.413 -9.720 0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.735 -9.111 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.289 -10.466 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.161 -11.761 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.327 -11.960 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.573 -10.912 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.134 -13.245 -0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.910 -12.486 -1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.702 -13.502 -0.950 1.00 0.00 H new ATOM 1073 N VAL A 67 -11.432 -9.252 2.548 1.00 0.00 N ATOM 1074 CA VAL A 67 -10.485 -9.611 3.653 1.00 0.00 C ATOM 1075 C VAL A 67 -10.679 -11.078 4.072 1.00 0.00 C ATOM 1076 O VAL A 67 -11.780 -11.595 4.086 1.00 0.00 O ATOM 1077 CB VAL A 67 -10.700 -8.683 4.847 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -9.731 -9.073 5.964 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -10.405 -7.247 4.428 1.00 0.00 C ATOM 0 H VAL A 67 -11.942 -8.379 2.682 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.463 -9.490 3.293 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.730 -8.767 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.879 -8.415 6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.917 -10.105 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.706 -8.978 5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.557 -6.581 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.372 -7.172 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.075 -6.960 3.617 1.00 0.00 H new ATOM 1089 N GLY A 68 -9.599 -11.744 4.367 1.00 0.00 N ATOM 1090 CA GLY A 68 -9.674 -13.183 4.738 1.00 0.00 C ATOM 1091 C GLY A 68 -9.110 -14.033 3.586 1.00 0.00 C ATOM 1092 O GLY A 68 -9.013 -15.241 3.696 1.00 0.00 O ATOM 0 H GLY A 68 -8.659 -11.349 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.108 -13.365 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.707 -13.465 4.942 1.00 0.00 H new ATOM 1096 N GLU A 69 -8.734 -13.414 2.480 1.00 0.00 N ATOM 1097 CA GLU A 69 -8.178 -14.194 1.338 1.00 0.00 C ATOM 1098 C GLU A 69 -6.881 -13.543 0.841 1.00 0.00 C ATOM 1099 O GLU A 69 -6.447 -12.519 1.344 1.00 0.00 O ATOM 1100 CB GLU A 69 -9.200 -14.255 0.196 1.00 0.00 C ATOM 1101 CG GLU A 69 -9.614 -12.837 -0.223 1.00 0.00 C ATOM 1102 CD GLU A 69 -9.310 -12.618 -1.709 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -8.353 -13.199 -2.190 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -10.043 -11.874 -2.339 1.00 0.00 O ATOM 0 H GLU A 69 -8.792 -12.407 2.329 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.962 -15.208 1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.773 -14.783 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.077 -14.819 0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.678 -12.690 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.080 -12.101 0.378 1.00 0.00 H new ATOM 1111 N GLU A 70 -6.247 -14.158 -0.125 1.00 0.00 N ATOM 1112 CA GLU A 70 -4.953 -13.624 -0.653 1.00 0.00 C ATOM 1113 C GLU A 70 -5.052 -13.227 -2.122 1.00 0.00 C ATOM 1114 O GLU A 70 -5.983 -13.570 -2.823 1.00 0.00 O ATOM 1115 CB GLU A 70 -3.877 -14.715 -0.568 1.00 0.00 C ATOM 1116 CG GLU A 70 -4.430 -16.047 -1.088 1.00 0.00 C ATOM 1117 CD GLU A 70 -4.884 -16.912 0.091 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -4.029 -17.341 0.848 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -6.077 -17.131 0.214 1.00 0.00 O ATOM 0 H GLU A 70 -6.572 -15.014 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.705 -12.749 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.005 -14.422 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.545 -14.829 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.267 -15.866 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.665 -16.570 -1.662 1.00 0.00 H new ATOM 1126 N PHE A 71 -4.030 -12.563 -2.595 1.00 0.00 N ATOM 1127 CA PHE A 71 -3.954 -12.187 -4.026 1.00 0.00 C ATOM 1128 C PHE A 71 -2.686 -12.832 -4.566 1.00 0.00 C ATOM 1129 O PHE A 71 -2.024 -13.582 -3.875 1.00 0.00 O ATOM 1130 CB PHE A 71 -3.839 -10.663 -4.239 1.00 0.00 C ATOM 1131 CG PHE A 71 -4.561 -9.855 -3.178 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -5.790 -10.275 -2.652 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -3.994 -8.650 -2.745 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -6.442 -9.484 -1.692 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -4.650 -7.864 -1.797 1.00 0.00 C ATOM 1136 CZ PHE A 71 -5.867 -8.279 -1.272 1.00 0.00 C ATOM 0 H PHE A 71 -3.233 -12.263 -2.034 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.864 -12.516 -4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.786 -10.382 -4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.244 -10.408 -5.219 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.234 -11.202 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.045 -8.328 -3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.386 -9.805 -1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.211 -6.932 -1.471 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.372 -7.670 -0.537 1.00 0.00 H new ATOM 1146 N GLU A 72 -2.329 -12.528 -5.775 1.00 0.00 N ATOM 1147 CA GLU A 72 -1.081 -13.102 -6.347 1.00 0.00 C ATOM 1148 C GLU A 72 -0.250 -11.987 -6.958 1.00 0.00 C ATOM 1149 O GLU A 72 -0.757 -10.932 -7.294 1.00 0.00 O ATOM 1150 CB GLU A 72 -1.406 -14.124 -7.424 1.00 0.00 C ATOM 1151 CG GLU A 72 -2.353 -15.174 -6.854 1.00 0.00 C ATOM 1152 CD GLU A 72 -3.079 -15.885 -7.997 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -3.426 -15.219 -8.958 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -3.277 -17.084 -7.891 1.00 0.00 O ATOM 0 H GLU A 72 -2.846 -11.906 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.525 -13.594 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.864 -13.632 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.491 -14.598 -7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.795 -15.897 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.076 -14.703 -6.188 1.00 0.00 H new ATOM 1161 N GLU A 73 1.021 -12.217 -7.103 1.00 0.00 N ATOM 1162 CA GLU A 73 1.907 -11.172 -7.697 1.00 0.00 C ATOM 1163 C GLU A 73 3.273 -11.766 -8.042 1.00 0.00 C ATOM 1164 O GLU A 73 3.510 -12.947 -7.885 1.00 0.00 O ATOM 1165 CB GLU A 73 2.080 -10.024 -6.689 1.00 0.00 C ATOM 1166 CG GLU A 73 1.380 -8.764 -7.207 1.00 0.00 C ATOM 1167 CD GLU A 73 1.495 -7.650 -6.165 1.00 0.00 C ATOM 1168 OE1 GLU A 73 1.392 -7.955 -4.988 1.00 0.00 O ATOM 1169 OE2 GLU A 73 1.685 -6.512 -6.561 1.00 0.00 O ATOM 0 H GLU A 73 1.490 -13.083 -6.837 1.00 0.00 H new ATOM 0 HA GLU A 73 1.451 -10.794 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.664 -10.311 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.140 -9.823 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.831 -8.445 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.331 -8.977 -7.413 1.00 0.00 H new ATOM 1280 N CYS A 81 5.622 -13.829 -5.740 1.00 0.00 N ATOM 1281 CA CYS A 81 5.130 -13.293 -4.436 1.00 0.00 C ATOM 1282 C CYS A 81 3.621 -13.070 -4.473 1.00 0.00 C ATOM 1283 O CYS A 81 3.065 -12.608 -5.447 1.00 0.00 O ATOM 1284 CB CYS A 81 5.833 -11.962 -4.130 1.00 0.00 C ATOM 1285 SG CYS A 81 5.522 -10.771 -5.459 1.00 0.00 S ATOM 0 HA CYS A 81 5.355 -14.022 -3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.474 -11.562 -3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.905 -12.125 -4.021 1.00 0.00 H new ATOM 0 HG CYS A 81 6.121 -9.650 -5.186 1.00 0.00 H new ATOM 1291 N LYS A 82 2.974 -13.378 -3.389 1.00 0.00 N ATOM 1292 CA LYS A 82 1.508 -13.184 -3.282 1.00 0.00 C ATOM 1293 C LYS A 82 1.243 -12.248 -2.110 1.00 0.00 C ATOM 1294 O LYS A 82 2.157 -11.683 -1.537 1.00 0.00 O ATOM 1295 CB LYS A 82 0.838 -14.529 -3.025 1.00 0.00 C ATOM 1296 CG LYS A 82 1.461 -15.200 -1.788 1.00 0.00 C ATOM 1297 CD LYS A 82 0.882 -16.614 -1.594 1.00 0.00 C ATOM 1298 CE LYS A 82 -0.648 -16.585 -1.697 1.00 0.00 C ATOM 1299 NZ LYS A 82 -1.238 -17.533 -0.709 1.00 0.00 N ATOM 0 H LYS A 82 3.412 -13.765 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 82 1.109 -12.760 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.232 -14.388 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.953 -15.174 -3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.543 -15.256 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.266 -14.596 -0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.291 -17.288 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.180 -17.005 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.015 -15.576 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.959 -16.856 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.094 -17.965 -1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.547 -18.277 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.485 -17.019 0.161 1.00 0.00 H new ATOM 1313 N SER A 83 0.007 -12.080 -1.754 1.00 0.00 N ATOM 1314 CA SER A 83 -0.327 -11.176 -0.616 1.00 0.00 C ATOM 1315 C SER A 83 -1.507 -11.723 0.168 1.00 0.00 C ATOM 1316 O SER A 83 -2.076 -12.730 -0.181 1.00 0.00 O ATOM 1317 CB SER A 83 -0.697 -9.804 -1.168 1.00 0.00 C ATOM 1318 OG SER A 83 -1.696 -9.968 -2.168 1.00 0.00 O ATOM 0 H SER A 83 -0.793 -12.529 -2.200 1.00 0.00 H new ATOM 0 HA SER A 83 0.537 -11.104 0.045 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.065 -9.162 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.182 -9.316 -1.589 1.00 0.00 H new ATOM 0 HG SER A 83 -2.526 -9.538 -1.874 1.00 0.00 H new ATOM 1324 N LEU A 84 -1.881 -11.052 1.224 1.00 0.00 N ATOM 1325 CA LEU A 84 -3.048 -11.523 2.030 1.00 0.00 C ATOM 1326 C LEU A 84 -3.487 -10.436 3.003 1.00 0.00 C ATOM 1327 O LEU A 84 -2.731 -10.013 3.852 1.00 0.00 O ATOM 1328 CB LEU A 84 -2.676 -12.790 2.793 1.00 0.00 C ATOM 1329 CG LEU A 84 -3.843 -13.773 2.723 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -3.316 -15.196 2.868 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -4.836 -13.474 3.843 1.00 0.00 C ATOM 0 H LEU A 84 -1.432 -10.201 1.564 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.876 -11.745 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.780 -13.238 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.447 -12.551 3.831 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.347 -13.670 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.148 -15.899 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.613 -15.408 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.810 -15.300 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.667 -14.177 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.338 -13.573 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.213 -12.457 3.733 1.00 0.00 H new ATOM 1343 N VAL A 85 -4.708 -9.981 2.872 1.00 0.00 N ATOM 1344 CA VAL A 85 -5.215 -8.898 3.767 1.00 0.00 C ATOM 1345 C VAL A 85 -5.889 -9.485 5.017 1.00 0.00 C ATOM 1346 O VAL A 85 -6.527 -10.517 4.976 1.00 0.00 O ATOM 1347 CB VAL A 85 -6.210 -8.030 2.973 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -6.926 -7.033 3.897 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -5.441 -7.254 1.902 1.00 0.00 C ATOM 0 H VAL A 85 -5.378 -10.316 2.180 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.378 -8.287 4.105 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.957 -8.679 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.623 -6.432 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.473 -7.578 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.191 -6.381 4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.135 -6.635 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.695 -6.618 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.945 -7.955 1.231 1.00 0.00 H new ATOM 1359 N LYS A 86 -5.753 -8.796 6.124 1.00 0.00 N ATOM 1360 CA LYS A 86 -6.371 -9.243 7.399 1.00 0.00 C ATOM 1361 C LYS A 86 -6.682 -8.011 8.260 1.00 0.00 C ATOM 1362 O LYS A 86 -6.770 -6.904 7.767 1.00 0.00 O ATOM 1363 CB LYS A 86 -5.393 -10.163 8.134 1.00 0.00 C ATOM 1364 CG LYS A 86 -6.143 -11.348 8.749 1.00 0.00 C ATOM 1365 CD LYS A 86 -6.786 -12.197 7.644 1.00 0.00 C ATOM 1366 CE LYS A 86 -8.306 -11.982 7.629 1.00 0.00 C ATOM 1367 NZ LYS A 86 -8.988 -13.245 8.031 1.00 0.00 N ATOM 0 H LYS A 86 -5.227 -7.925 6.192 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.294 -9.787 7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.632 -10.524 7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.875 -9.606 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.456 -11.959 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.910 -10.987 9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.363 -11.928 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.562 -13.251 7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.577 -11.176 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.632 -11.680 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.989 -13.203 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.530 -14.052 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.921 -13.363 9.062 1.00 0.00 H new ATOM 1381 N TRP A 87 -6.865 -8.207 9.537 1.00 0.00 N ATOM 1382 CA TRP A 87 -7.189 -7.071 10.451 1.00 0.00 C ATOM 1383 C TRP A 87 -6.221 -7.022 11.628 1.00 0.00 C ATOM 1384 O TRP A 87 -5.303 -7.810 11.746 1.00 0.00 O ATOM 1385 CB TRP A 87 -8.586 -7.273 11.005 1.00 0.00 C ATOM 1386 CG TRP A 87 -9.534 -7.269 9.881 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -10.028 -8.369 9.296 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -10.088 -6.131 9.176 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -10.890 -7.983 8.298 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -10.953 -6.612 8.177 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -9.934 -4.741 9.312 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -11.643 -5.751 7.337 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -10.625 -3.867 8.463 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -11.480 -4.372 7.477 1.00 0.00 C ATOM 0 H TRP A 87 -6.803 -9.117 9.993 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.114 -6.143 9.885 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.646 -8.216 11.549 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.832 -6.481 11.712 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.789 -9.388 9.564 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -11.419 -8.633 7.717 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -9.280 -4.345 10.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.303 -6.145 6.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -10.497 -2.800 8.570 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -12.013 -3.696 6.825 1.00 0.00 H new ATOM 1405 N GLU A 88 -6.459 -6.096 12.508 1.00 0.00 N ATOM 1406 CA GLU A 88 -5.617 -5.940 13.725 1.00 0.00 C ATOM 1407 C GLU A 88 -6.572 -5.698 14.899 1.00 0.00 C ATOM 1408 O GLU A 88 -6.605 -6.440 15.862 1.00 0.00 O ATOM 1409 CB GLU A 88 -4.652 -4.746 13.506 1.00 0.00 C ATOM 1410 CG GLU A 88 -4.311 -4.014 14.816 1.00 0.00 C ATOM 1411 CD GLU A 88 -3.609 -4.975 15.777 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -2.416 -5.173 15.620 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -4.278 -5.497 16.654 1.00 0.00 O ATOM 0 H GLU A 88 -7.221 -5.423 12.434 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.010 -6.821 13.932 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.732 -5.107 13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.104 -4.042 12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.669 -3.158 14.609 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.221 -3.626 15.274 1.00 0.00 H new ATOM 1420 N SER A 89 -7.345 -4.657 14.800 1.00 0.00 N ATOM 1421 CA SER A 89 -8.317 -4.319 15.871 1.00 0.00 C ATOM 1422 C SER A 89 -9.733 -4.418 15.306 1.00 0.00 C ATOM 1423 O SER A 89 -10.597 -5.070 15.855 1.00 0.00 O ATOM 1424 CB SER A 89 -8.064 -2.883 16.330 1.00 0.00 C ATOM 1425 OG SER A 89 -7.957 -2.042 15.183 1.00 0.00 O ATOM 0 H SER A 89 -7.344 -4.015 14.008 1.00 0.00 H new ATOM 0 HA SER A 89 -8.204 -5.006 16.710 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.877 -2.544 16.971 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.150 -2.832 16.921 1.00 0.00 H new ATOM 0 HG SER A 89 -7.796 -1.118 15.468 1.00 0.00 H new ATOM 1431 N GLU A 90 -9.953 -3.759 14.204 1.00 0.00 N ATOM 1432 CA GLU A 90 -11.288 -3.750 13.529 1.00 0.00 C ATOM 1433 C GLU A 90 -11.246 -2.660 12.461 1.00 0.00 C ATOM 1434 O GLU A 90 -11.774 -2.806 11.378 1.00 0.00 O ATOM 1435 CB GLU A 90 -12.417 -3.439 14.526 1.00 0.00 C ATOM 1436 CG GLU A 90 -12.075 -2.177 15.325 1.00 0.00 C ATOM 1437 CD GLU A 90 -12.588 -2.324 16.759 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -13.724 -1.950 17.002 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -11.837 -2.808 17.589 1.00 0.00 O ATOM 0 H GLU A 90 -9.241 -3.207 13.725 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.488 -4.731 13.098 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.357 -3.298 13.992 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.558 -4.281 15.203 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.997 -2.017 15.328 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.525 -1.303 14.854 1.00 0.00 H new ATOM 1446 N ASN A 91 -10.573 -1.583 12.763 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.421 -0.470 11.786 1.00 0.00 C ATOM 1448 C ASN A 91 -8.970 -0.437 11.295 1.00 0.00 C ATOM 1449 O ASN A 91 -8.606 0.411 10.504 1.00 0.00 O ATOM 1450 CB ASN A 91 -10.750 0.855 12.460 1.00 0.00 C ATOM 1451 CG ASN A 91 -12.188 0.843 12.985 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -12.849 -0.177 12.981 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -12.704 1.954 13.435 1.00 0.00 N ATOM 0 H ASN A 91 -10.115 -1.426 13.661 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.099 -0.625 10.947 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.057 1.034 13.282 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.622 1.673 11.751 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.662 1.967 13.784 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.149 2.810 13.438 1.00 0.00 H new ATOM 1460 N LYS A 92 -8.136 -1.353 11.752 1.00 0.00 N ATOM 1461 CA LYS A 92 -6.733 -1.378 11.290 1.00 0.00 C ATOM 1462 C LYS A 92 -6.495 -2.723 10.600 1.00 0.00 C ATOM 1463 O LYS A 92 -6.531 -3.759 11.224 1.00 0.00 O ATOM 1464 CB LYS A 92 -5.800 -1.234 12.490 1.00 0.00 C ATOM 1465 CG LYS A 92 -4.415 -0.814 12.006 1.00 0.00 C ATOM 1466 CD LYS A 92 -3.555 -2.057 11.777 1.00 0.00 C ATOM 1467 CE LYS A 92 -2.118 -1.633 11.469 1.00 0.00 C ATOM 1468 NZ LYS A 92 -1.364 -1.469 12.745 1.00 0.00 N ATOM 0 H LYS A 92 -8.383 -2.078 12.426 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.538 -0.558 10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.195 -0.493 13.185 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.738 -2.178 13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.499 -0.242 11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.943 -0.163 12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.576 -2.695 12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.957 -2.644 10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.633 -2.381 10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.115 -0.697 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.387 -1.181 12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.823 -0.740 13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.356 -2.371 13.262 1.00 0.00 H new ATOM 1482 N MET A 93 -6.274 -2.714 9.316 1.00 0.00 N ATOM 1483 CA MET A 93 -6.048 -3.986 8.579 1.00 0.00 C ATOM 1484 C MET A 93 -4.654 -4.011 7.989 1.00 0.00 C ATOM 1485 O MET A 93 -4.013 -2.995 7.801 1.00 0.00 O ATOM 1486 CB MET A 93 -7.066 -4.195 7.445 1.00 0.00 C ATOM 1487 CG MET A 93 -7.532 -2.862 6.844 1.00 0.00 C ATOM 1488 SD MET A 93 -7.842 -3.059 5.070 1.00 0.00 S ATOM 1489 CE MET A 93 -8.964 -4.470 5.200 1.00 0.00 C ATOM 0 H MET A 93 -6.240 -1.872 8.741 1.00 0.00 H new ATOM 0 HA MET A 93 -6.171 -4.792 9.303 1.00 0.00 H new ATOM 0 HB2 MET A 93 -6.619 -4.809 6.664 1.00 0.00 H new ATOM 0 HB3 MET A 93 -7.928 -4.743 7.827 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.439 -2.525 7.345 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.774 -2.095 7.007 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.400 -4.680 4.223 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.411 -5.344 5.546 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.758 -4.239 5.910 1.00 0.00 H new ATOM 1499 N VAL A 94 -4.193 -5.187 7.707 1.00 0.00 N ATOM 1500 CA VAL A 94 -2.836 -5.360 7.131 1.00 0.00 C ATOM 1501 C VAL A 94 -2.934 -6.069 5.791 1.00 0.00 C ATOM 1502 O VAL A 94 -4.004 -6.357 5.294 1.00 0.00 O ATOM 1503 CB VAL A 94 -1.990 -6.220 8.072 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -1.546 -5.394 9.279 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -2.823 -7.411 8.538 1.00 0.00 C ATOM 0 H VAL A 94 -4.708 -6.055 7.853 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.378 -4.379 7.001 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.103 -6.573 7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.944 -6.015 9.943 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.953 -4.544 8.940 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.423 -5.033 9.816 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.228 -8.030 9.210 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.708 -7.053 9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.128 -8.002 7.674 1.00 0.00 H new ATOM 1515 N CYS A 95 -1.810 -6.361 5.223 1.00 0.00 N ATOM 1516 CA CYS A 95 -1.767 -7.077 3.929 1.00 0.00 C ATOM 1517 C CYS A 95 -0.357 -7.605 3.765 1.00 0.00 C ATOM 1518 O CYS A 95 0.449 -7.038 3.058 1.00 0.00 O ATOM 1519 CB CYS A 95 -2.107 -6.131 2.790 1.00 0.00 C ATOM 1520 SG CYS A 95 -2.223 -7.068 1.246 1.00 0.00 S ATOM 0 H CYS A 95 -0.895 -6.128 5.610 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.494 -7.889 3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -3.051 -5.624 2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.343 -5.359 2.703 1.00 0.00 H new ATOM 0 HG CYS A 95 -2.263 -6.245 0.241 1.00 0.00 H new ATOM 1526 N GLU A 96 -0.041 -8.662 4.458 1.00 0.00 N ATOM 1527 CA GLU A 96 1.342 -9.201 4.393 1.00 0.00 C ATOM 1528 C GLU A 96 1.633 -9.797 3.020 1.00 0.00 C ATOM 1529 O GLU A 96 1.092 -10.819 2.644 1.00 0.00 O ATOM 1530 CB GLU A 96 1.541 -10.274 5.459 1.00 0.00 C ATOM 1531 CG GLU A 96 3.027 -10.629 5.525 1.00 0.00 C ATOM 1532 CD GLU A 96 3.225 -11.846 6.430 1.00 0.00 C ATOM 1533 OE1 GLU A 96 3.003 -11.716 7.622 1.00 0.00 O ATOM 1534 OE2 GLU A 96 3.596 -12.888 5.915 1.00 0.00 O ATOM 0 H GLU A 96 -0.680 -9.174 5.065 1.00 0.00 H new ATOM 0 HA GLU A 96 2.030 -8.375 4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.195 -9.913 6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.951 -11.159 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.405 -10.842 4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.597 -9.782 5.908 1.00 0.00 H new ATOM 1541 N GLN A 97 2.507 -9.168 2.284 1.00 0.00 N ATOM 1542 CA GLN A 97 2.880 -9.680 0.948 1.00 0.00 C ATOM 1543 C GLN A 97 4.231 -10.393 1.063 1.00 0.00 C ATOM 1544 O GLN A 97 5.193 -9.824 1.544 1.00 0.00 O ATOM 1545 CB GLN A 97 2.999 -8.502 -0.015 1.00 0.00 C ATOM 1546 CG GLN A 97 1.673 -7.743 -0.066 1.00 0.00 C ATOM 1547 CD GLN A 97 1.449 -7.191 -1.476 1.00 0.00 C ATOM 1548 OE1 GLN A 97 2.387 -7.011 -2.228 1.00 0.00 O ATOM 1549 NE2 GLN A 97 0.236 -6.910 -1.868 1.00 0.00 N ATOM 0 H GLN A 97 2.982 -8.309 2.561 1.00 0.00 H new ATOM 0 HA GLN A 97 2.126 -10.375 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.799 -7.835 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.264 -8.859 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.853 -8.406 0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.681 -6.928 0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.552 -7.061 -1.238 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.076 -6.540 -2.805 1.00 0.00 H new ATOM 1558 N LYS A 98 4.314 -11.633 0.647 1.00 0.00 N ATOM 1559 CA LYS A 98 5.617 -12.366 0.757 1.00 0.00 C ATOM 1560 C LYS A 98 6.022 -12.934 -0.605 1.00 0.00 C ATOM 1561 O LYS A 98 5.221 -13.008 -1.513 1.00 0.00 O ATOM 1562 CB LYS A 98 5.474 -13.513 1.762 1.00 0.00 C ATOM 1563 CG LYS A 98 4.286 -14.400 1.371 1.00 0.00 C ATOM 1564 CD LYS A 98 3.077 -14.062 2.248 1.00 0.00 C ATOM 1565 CE LYS A 98 3.065 -14.975 3.475 1.00 0.00 C ATOM 1566 NZ LYS A 98 1.656 -15.270 3.862 1.00 0.00 N ATOM 0 H LYS A 98 3.546 -12.166 0.240 1.00 0.00 H new ATOM 0 HA LYS A 98 6.386 -11.671 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.389 -14.105 1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.327 -13.113 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.038 -14.250 0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.550 -15.451 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.120 -13.018 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.156 -14.187 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.595 -15.902 3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.588 -14.496 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.648 -15.891 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.164 -14.381 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.171 -15.744 3.073 1.00 0.00 H new ATOM 1580 N LEU A 99 7.261 -13.349 -0.748 1.00 0.00 N ATOM 1581 CA LEU A 99 7.710 -13.931 -2.056 1.00 0.00 C ATOM 1582 C LEU A 99 7.747 -15.454 -1.950 1.00 0.00 C ATOM 1583 O LEU A 99 8.570 -16.112 -2.555 1.00 0.00 O ATOM 1584 CB LEU A 99 9.091 -13.402 -2.502 1.00 0.00 C ATOM 1585 CG LEU A 99 9.966 -13.044 -1.306 1.00 0.00 C ATOM 1586 CD1 LEU A 99 11.439 -13.251 -1.669 1.00 0.00 C ATOM 1587 CD2 LEU A 99 9.738 -11.577 -0.939 1.00 0.00 C ATOM 0 H LEU A 99 7.976 -13.310 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 99 6.991 -13.621 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.592 -14.157 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.959 -12.523 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 99 9.707 -13.681 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.064 -12.995 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.604 -14.294 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.699 -12.612 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.361 -11.315 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.001 -10.945 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.689 -11.425 -0.684 1.00 0.00 H new ATOM 1599 N LEU A 100 6.837 -16.016 -1.193 1.00 0.00 N ATOM 1600 CA LEU A 100 6.777 -17.502 -1.044 1.00 0.00 C ATOM 1601 C LEU A 100 8.109 -18.058 -0.525 1.00 0.00 C ATOM 1602 O LEU A 100 8.400 -19.229 -0.679 1.00 0.00 O ATOM 1603 CB LEU A 100 6.476 -18.121 -2.402 1.00 0.00 C ATOM 1604 CG LEU A 100 5.156 -17.558 -2.936 1.00 0.00 C ATOM 1605 CD1 LEU A 100 5.010 -17.903 -4.421 1.00 0.00 C ATOM 1606 CD2 LEU A 100 3.989 -18.163 -2.153 1.00 0.00 C ATOM 0 H LEU A 100 6.128 -15.504 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 100 5.995 -17.750 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.285 -17.905 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.412 -19.206 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 100 5.152 -16.475 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.069 -17.501 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.840 -17.468 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.017 -18.986 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.049 -17.762 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.995 -19.247 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.090 -17.912 -1.097 1.00 0.00 H new ATOM 1618 N LYS A 101 8.912 -17.231 0.085 1.00 0.00 N ATOM 1619 CA LYS A 101 10.225 -17.702 0.618 1.00 0.00 C ATOM 1620 C LYS A 101 10.907 -16.558 1.366 1.00 0.00 C ATOM 1621 O LYS A 101 11.263 -16.682 2.523 1.00 0.00 O ATOM 1622 CB LYS A 101 11.114 -18.157 -0.538 1.00 0.00 C ATOM 1623 CG LYS A 101 12.119 -19.194 -0.033 1.00 0.00 C ATOM 1624 CD LYS A 101 11.429 -20.553 0.103 1.00 0.00 C ATOM 1625 CE LYS A 101 12.469 -21.669 -0.013 1.00 0.00 C ATOM 1626 NZ LYS A 101 13.165 -21.837 1.294 1.00 0.00 N ATOM 0 H LYS A 101 8.715 -16.242 0.239 1.00 0.00 H new ATOM 0 HA LYS A 101 10.062 -18.538 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.504 -18.584 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.640 -17.303 -0.964 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.958 -19.269 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.525 -18.883 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.916 -20.618 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.671 -20.667 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.986 -22.602 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.191 -21.428 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.872 -22.596 1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.638 -20.948 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.471 -22.085 2.028 1.00 0.00 H new ATOM 1640 N GLY A 102 11.082 -15.445 0.708 1.00 0.00 N ATOM 1641 CA GLY A 102 11.734 -14.273 1.362 1.00 0.00 C ATOM 1642 C GLY A 102 13.251 -14.456 1.373 1.00 0.00 C ATOM 1643 O GLY A 102 13.757 -15.541 1.590 1.00 0.00 O ATOM 0 H GLY A 102 10.800 -15.295 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.474 -13.358 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.365 -14.164 2.382 1.00 0.00 H new ATOM 1647 N GLU A 103 13.976 -13.391 1.155 1.00 0.00 N ATOM 1648 CA GLU A 103 15.464 -13.470 1.165 1.00 0.00 C ATOM 1649 C GLU A 103 15.998 -12.503 2.222 1.00 0.00 C ATOM 1650 O GLU A 103 16.885 -12.830 2.988 1.00 0.00 O ATOM 1651 CB GLU A 103 16.021 -13.098 -0.214 1.00 0.00 C ATOM 1652 CG GLU A 103 15.433 -11.762 -0.675 1.00 0.00 C ATOM 1653 CD GLU A 103 15.901 -11.466 -2.102 1.00 0.00 C ATOM 1654 OE1 GLU A 103 15.238 -11.909 -3.025 1.00 0.00 O ATOM 1655 OE2 GLU A 103 16.913 -10.801 -2.246 1.00 0.00 O ATOM 0 H GLU A 103 13.597 -12.463 0.969 1.00 0.00 H new ATOM 0 HA GLU A 103 15.777 -14.487 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 103 17.108 -13.030 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.780 -13.879 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.344 -11.799 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.748 -10.963 -0.004 1.00 0.00 H new ATOM 1662 N GLY A 104 15.443 -11.322 2.277 1.00 0.00 N ATOM 1663 CA GLY A 104 15.879 -10.322 3.287 1.00 0.00 C ATOM 1664 C GLY A 104 14.635 -9.573 3.793 1.00 0.00 C ATOM 1665 O GLY A 104 14.017 -10.006 4.745 1.00 0.00 O ATOM 0 H GLY A 104 14.697 -11.007 1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 104 16.388 -10.816 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 104 16.590 -9.623 2.847 1.00 0.00 H new ATOM 1669 N PRO A 105 14.278 -8.478 3.141 1.00 0.00 N ATOM 1670 CA PRO A 105 13.093 -7.699 3.530 1.00 0.00 C ATOM 1671 C PRO A 105 11.831 -8.324 2.919 1.00 0.00 C ATOM 1672 O PRO A 105 11.830 -9.481 2.541 1.00 0.00 O ATOM 1673 CB PRO A 105 13.366 -6.315 2.947 1.00 0.00 C ATOM 1674 CG PRO A 105 14.382 -6.506 1.794 1.00 0.00 C ATOM 1675 CD PRO A 105 15.008 -7.904 1.983 1.00 0.00 C ATOM 0 HA PRO A 105 12.925 -7.668 4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.445 -5.862 2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.768 -5.647 3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.887 -6.431 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.149 -5.732 1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 105 14.886 -8.519 1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 105 16.078 -7.838 2.180 1.00 0.00 H new ATOM 1683 N LYS A 106 10.754 -7.577 2.831 1.00 0.00 N ATOM 1684 CA LYS A 106 9.497 -8.139 2.260 1.00 0.00 C ATOM 1685 C LYS A 106 8.498 -7.015 1.971 1.00 0.00 C ATOM 1686 O LYS A 106 8.710 -5.873 2.329 1.00 0.00 O ATOM 1687 CB LYS A 106 8.896 -9.098 3.280 1.00 0.00 C ATOM 1688 CG LYS A 106 8.426 -10.378 2.583 1.00 0.00 C ATOM 1689 CD LYS A 106 8.625 -11.573 3.518 1.00 0.00 C ATOM 1690 CE LYS A 106 10.111 -11.926 3.589 1.00 0.00 C ATOM 1691 NZ LYS A 106 10.347 -12.857 4.728 1.00 0.00 N ATOM 0 H LYS A 106 10.696 -6.604 3.131 1.00 0.00 H new ATOM 0 HA LYS A 106 9.717 -8.659 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.636 -9.340 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.057 -8.622 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.375 -10.290 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.986 -10.528 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.249 -11.336 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.054 -12.429 3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.431 -12.389 2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.705 -11.021 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.358 -13.097 4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.057 -12.400 5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.791 -13.725 4.588 1.00 0.00 H new ATOM 1705 N THR A 107 7.407 -7.345 1.330 1.00 0.00 N ATOM 1706 CA THR A 107 6.378 -6.321 1.007 1.00 0.00 C ATOM 1707 C THR A 107 5.161 -6.517 1.914 1.00 0.00 C ATOM 1708 O THR A 107 4.998 -7.550 2.530 1.00 0.00 O ATOM 1709 CB THR A 107 5.956 -6.492 -0.458 1.00 0.00 C ATOM 1710 OG1 THR A 107 5.972 -7.871 -0.807 1.00 0.00 O ATOM 1711 CG2 THR A 107 6.922 -5.743 -1.370 1.00 0.00 C ATOM 0 H THR A 107 7.186 -8.290 1.015 1.00 0.00 H new ATOM 0 HA THR A 107 6.785 -5.322 1.163 1.00 0.00 H new ATOM 0 HB THR A 107 4.950 -6.091 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 107 5.700 -7.975 -1.743 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.615 -5.870 -2.408 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.914 -4.683 -1.116 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.929 -6.140 -1.238 1.00 0.00 H new ATOM 1719 N SER A 108 4.309 -5.524 1.999 1.00 0.00 N ATOM 1720 CA SER A 108 3.089 -5.625 2.863 1.00 0.00 C ATOM 1721 C SER A 108 2.419 -4.249 2.928 1.00 0.00 C ATOM 1722 O SER A 108 2.993 -3.263 2.509 1.00 0.00 O ATOM 1723 CB SER A 108 3.482 -6.047 4.283 1.00 0.00 C ATOM 1724 OG SER A 108 4.738 -5.470 4.613 1.00 0.00 O ATOM 0 H SER A 108 4.407 -4.639 1.502 1.00 0.00 H new ATOM 0 HA SER A 108 2.409 -6.366 2.442 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.722 -5.724 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.539 -7.133 4.349 1.00 0.00 H new ATOM 0 HG SER A 108 4.992 -5.737 5.521 1.00 0.00 H new ATOM 1730 N TRP A 109 1.236 -4.162 3.489 1.00 0.00 N ATOM 1731 CA TRP A 109 0.575 -2.826 3.626 1.00 0.00 C ATOM 1732 C TRP A 109 -0.514 -2.891 4.663 1.00 0.00 C ATOM 1733 O TRP A 109 -1.207 -3.882 4.795 1.00 0.00 O ATOM 1734 CB TRP A 109 0.016 -2.280 2.293 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.152 -3.034 1.729 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -1.114 -3.679 0.545 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -2.533 -3.166 2.224 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.361 -4.211 0.276 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.268 -3.929 1.277 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.221 -2.724 3.384 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -4.618 -4.235 1.469 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -4.574 -3.037 3.570 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.267 -3.789 2.616 1.00 0.00 C ATOM 0 H TRP A 109 0.704 -4.951 3.855 1.00 0.00 H new ATOM 0 HA TRP A 109 1.348 -2.127 3.945 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.281 -1.242 2.441 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.818 -2.280 1.555 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.246 -3.766 -0.092 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -2.584 -4.748 -0.562 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -2.698 -2.142 4.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.154 -4.814 0.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.086 -2.695 4.457 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.310 -4.024 2.770 1.00 0.00 H new ATOM 1754 N THR A 110 -0.664 -1.832 5.415 1.00 0.00 N ATOM 1755 CA THR A 110 -1.714 -1.818 6.465 1.00 0.00 C ATOM 1756 C THR A 110 -2.534 -0.538 6.385 1.00 0.00 C ATOM 1757 O THR A 110 -2.075 0.539 6.703 1.00 0.00 O ATOM 1758 CB THR A 110 -1.076 -1.930 7.844 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.405 -0.718 8.157 1.00 0.00 O ATOM 1760 CG2 THR A 110 -0.082 -3.092 7.861 1.00 0.00 C ATOM 0 H THR A 110 -0.105 -0.982 5.345 1.00 0.00 H new ATOM 0 HA THR A 110 -2.374 -2.670 6.301 1.00 0.00 H new ATOM 0 HB THR A 110 -1.852 -2.114 8.587 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.586 -0.054 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.372 -3.168 8.849 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.604 -4.020 7.629 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.695 -2.917 7.117 1.00 0.00 H new ATOM 1768 N ARG A 111 -3.764 -0.675 5.991 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.678 0.502 5.904 1.00 0.00 C ATOM 1770 C ARG A 111 -5.297 0.700 7.277 1.00 0.00 C ATOM 1771 O ARG A 111 -5.840 -0.219 7.830 1.00 0.00 O ATOM 1772 CB ARG A 111 -5.776 0.215 4.872 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.220 0.401 3.461 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.313 0.084 2.439 1.00 0.00 C ATOM 1775 NE ARG A 111 -5.956 0.689 1.121 1.00 0.00 N ATOM 1776 CZ ARG A 111 -5.829 1.988 0.991 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -6.500 2.805 1.762 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -5.027 2.471 0.082 1.00 0.00 N ATOM 0 H ARG A 111 -4.185 -1.564 5.721 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.137 1.397 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.147 -0.802 4.996 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.621 0.884 5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.869 1.424 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.362 -0.253 3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.427 -0.995 2.336 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.271 0.475 2.783 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.809 0.085 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.130 2.433 2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.393 3.813 1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.503 1.839 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -4.925 3.480 -0.023 1.00 0.00 H new ATOM 1792 N GLU A 112 -5.217 1.874 7.844 1.00 0.00 N ATOM 1793 CA GLU A 112 -5.807 2.072 9.201 1.00 0.00 C ATOM 1794 C GLU A 112 -6.688 3.312 9.214 1.00 0.00 C ATOM 1795 O GLU A 112 -6.496 4.230 8.449 1.00 0.00 O ATOM 1796 CB GLU A 112 -4.690 2.218 10.236 1.00 0.00 C ATOM 1797 CG GLU A 112 -5.295 2.207 11.641 1.00 0.00 C ATOM 1798 CD GLU A 112 -4.185 2.394 12.677 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -3.253 3.129 12.391 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.284 1.801 13.738 1.00 0.00 O ATOM 0 H GLU A 112 -4.774 2.696 7.433 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.417 1.204 9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.973 1.404 10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.145 3.147 10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.034 3.003 11.736 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.816 1.266 11.817 1.00 0.00 H new ATOM 1807 N LEU A 113 -7.664 3.325 10.077 1.00 0.00 N ATOM 1808 CA LEU A 113 -8.597 4.477 10.167 1.00 0.00 C ATOM 1809 C LEU A 113 -8.332 5.238 11.468 1.00 0.00 C ATOM 1810 O LEU A 113 -7.639 4.755 12.344 1.00 0.00 O ATOM 1811 CB LEU A 113 -10.023 3.915 10.179 1.00 0.00 C ATOM 1812 CG LEU A 113 -10.537 3.580 8.768 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -11.156 4.825 8.139 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -9.429 3.037 7.868 1.00 0.00 C ATOM 0 H LEU A 113 -7.856 2.570 10.736 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.461 5.157 9.326 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -10.050 3.016 10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.692 4.640 10.643 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.291 2.799 8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -11.519 4.585 7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.987 5.169 8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -10.404 5.611 8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.837 2.814 6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.639 3.782 7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -9.019 2.127 8.305 1.00 0.00 H new ATOM 1873 N GLU A 118 -9.532 9.887 8.884 1.00 0.00 N ATOM 1874 CA GLU A 118 -8.047 9.998 8.905 1.00 0.00 C ATOM 1875 C GLU A 118 -7.478 8.612 8.609 1.00 0.00 C ATOM 1876 O GLU A 118 -7.025 7.907 9.491 1.00 0.00 O ATOM 1877 CB GLU A 118 -7.579 10.476 10.282 1.00 0.00 C ATOM 1878 CG GLU A 118 -7.326 11.985 10.242 1.00 0.00 C ATOM 1879 CD GLU A 118 -6.576 12.411 11.506 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -7.189 12.416 12.561 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -5.402 12.723 11.398 1.00 0.00 O ATOM 0 HA GLU A 118 -7.704 10.718 8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -8.332 10.243 11.035 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -6.668 9.952 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.745 12.244 9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.272 12.521 10.170 1.00 0.00 H new ATOM 1888 N LEU A 119 -7.548 8.206 7.372 1.00 0.00 N ATOM 1889 CA LEU A 119 -7.072 6.850 6.981 1.00 0.00 C ATOM 1890 C LEU A 119 -5.565 6.850 6.684 1.00 0.00 C ATOM 1891 O LEU A 119 -5.134 7.290 5.639 1.00 0.00 O ATOM 1892 CB LEU A 119 -7.848 6.429 5.730 1.00 0.00 C ATOM 1893 CG LEU A 119 -7.737 4.917 5.511 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -9.100 4.352 5.096 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -6.719 4.640 4.406 1.00 0.00 C ATOM 0 H LEU A 119 -7.920 8.765 6.604 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.242 6.153 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.896 6.711 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.460 6.958 4.859 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.415 4.441 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.016 3.276 4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.830 4.550 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.424 4.827 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.638 3.565 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.045 5.119 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.747 5.038 4.698 1.00 0.00 H new ATOM 1907 N ILE A 120 -4.764 6.334 7.585 1.00 0.00 N ATOM 1908 CA ILE A 120 -3.287 6.281 7.333 1.00 0.00 C ATOM 1909 C ILE A 120 -2.948 4.922 6.717 1.00 0.00 C ATOM 1910 O ILE A 120 -3.085 3.898 7.350 1.00 0.00 O ATOM 1911 CB ILE A 120 -2.527 6.494 8.647 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -2.847 5.369 9.640 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -2.961 7.827 9.245 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -1.702 4.353 9.646 1.00 0.00 C ATOM 0 H ILE A 120 -5.066 5.949 8.480 1.00 0.00 H new ATOM 0 HA ILE A 120 -2.991 7.071 6.643 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.455 6.491 8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.987 5.781 10.639 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.781 4.879 9.363 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.430 7.996 10.182 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -2.730 8.631 8.547 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -4.034 7.808 9.435 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -1.929 3.553 10.351 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -1.583 3.933 8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -0.778 4.848 9.944 1.00 0.00 H new ATOM 1926 N LEU A 121 -2.543 4.905 5.476 1.00 0.00 N ATOM 1927 CA LEU A 121 -2.249 3.615 4.799 1.00 0.00 C ATOM 1928 C LEU A 121 -0.740 3.476 4.523 1.00 0.00 C ATOM 1929 O LEU A 121 -0.137 4.272 3.828 1.00 0.00 O ATOM 1930 CB LEU A 121 -3.097 3.575 3.503 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.686 2.450 2.531 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -1.480 2.896 1.710 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.340 1.166 3.283 1.00 0.00 C ATOM 0 H LEU A 121 -2.403 5.736 4.901 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.513 2.767 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.146 3.449 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.011 4.534 2.993 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.531 2.246 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.192 2.099 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.738 3.789 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.648 3.119 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.054 0.392 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.511 1.356 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.208 0.832 3.852 1.00 0.00 H new ATOM 1945 N THR A 122 -0.146 2.445 5.074 1.00 0.00 N ATOM 1946 CA THR A 122 1.312 2.175 4.883 1.00 0.00 C ATOM 1947 C THR A 122 1.475 1.039 3.874 1.00 0.00 C ATOM 1948 O THR A 122 0.577 0.261 3.667 1.00 0.00 O ATOM 1949 CB THR A 122 1.904 1.711 6.208 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.631 2.671 7.219 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.412 1.519 6.067 1.00 0.00 C ATOM 0 H THR A 122 -0.624 1.763 5.663 1.00 0.00 H new ATOM 0 HA THR A 122 1.812 3.078 4.532 1.00 0.00 H new ATOM 0 HB THR A 122 1.451 0.760 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.012 2.368 8.069 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.827 1.187 7.019 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.613 0.769 5.302 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.874 2.464 5.779 1.00 0.00 H new ATOM 1959 N MET A 123 2.623 0.914 3.277 1.00 0.00 N ATOM 1960 CA MET A 123 2.839 -0.205 2.308 1.00 0.00 C ATOM 1961 C MET A 123 4.331 -0.466 2.163 1.00 0.00 C ATOM 1962 O MET A 123 5.006 0.146 1.357 1.00 0.00 O ATOM 1963 CB MET A 123 2.236 0.147 0.951 1.00 0.00 C ATOM 1964 CG MET A 123 2.315 -1.076 0.026 1.00 0.00 C ATOM 1965 SD MET A 123 3.634 -0.850 -1.198 1.00 0.00 S ATOM 1966 CE MET A 123 3.929 -2.603 -1.538 1.00 0.00 C ATOM 0 H MET A 123 3.422 1.533 3.413 1.00 0.00 H new ATOM 0 HA MET A 123 2.348 -1.103 2.683 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.199 0.459 1.071 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.772 0.987 0.509 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.504 -1.974 0.614 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.360 -1.221 -0.480 1.00 0.00 H new ATOM 0 HE1 MET A 123 4.868 -2.716 -2.079 1.00 0.00 H new ATOM 0 HE2 MET A 123 3.984 -3.152 -0.598 1.00 0.00 H new ATOM 0 HE3 MET A 123 3.113 -2.999 -2.142 1.00 0.00 H new ATOM 1976 N THR A 124 4.849 -1.363 2.955 1.00 0.00 N ATOM 1977 CA THR A 124 6.310 -1.664 2.898 1.00 0.00 C ATOM 1978 C THR A 124 6.653 -2.388 1.613 1.00 0.00 C ATOM 1979 O THR A 124 5.791 -2.838 0.883 1.00 0.00 O ATOM 1980 CB THR A 124 6.769 -2.520 4.103 1.00 0.00 C ATOM 1981 OG1 THR A 124 6.673 -3.907 3.794 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.926 -2.233 5.349 1.00 0.00 C ATOM 0 H THR A 124 4.323 -1.903 3.642 1.00 0.00 H new ATOM 0 HA THR A 124 6.834 -0.709 2.935 1.00 0.00 H new ATOM 0 HB THR A 124 7.806 -2.255 4.309 1.00 0.00 H new ATOM 0 HG1 THR A 124 5.868 -4.280 4.210 1.00 0.00 H new ATOM 0 HG21 THR A 124 6.276 -2.851 6.175 1.00 0.00 H new ATOM 0 HG22 THR A 124 6.020 -1.181 5.618 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.881 -2.462 5.142 1.00 0.00 H new ATOM 1990 N ALA A 125 7.926 -2.500 1.343 1.00 0.00 N ATOM 1991 CA ALA A 125 8.355 -3.200 0.102 1.00 0.00 C ATOM 1992 C ALA A 125 9.876 -3.324 0.010 1.00 0.00 C ATOM 1993 O ALA A 125 10.567 -2.389 -0.335 1.00 0.00 O ATOM 1994 CB ALA A 125 7.848 -2.436 -1.117 1.00 0.00 C ATOM 0 H ALA A 125 8.682 -2.139 1.925 1.00 0.00 H new ATOM 0 HA ALA A 125 7.933 -4.204 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.163 -2.950 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.760 -2.385 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.259 -1.426 -1.110 1.00 0.00 H new ATOM 2000 N ASP A 126 10.405 -4.490 0.277 1.00 0.00 N ATOM 2001 CA ASP A 126 11.886 -4.682 0.180 1.00 0.00 C ATOM 2002 C ASP A 126 12.581 -3.830 1.245 1.00 0.00 C ATOM 2003 O ASP A 126 13.682 -3.357 1.047 1.00 0.00 O ATOM 2004 CB ASP A 126 12.376 -4.265 -1.213 1.00 0.00 C ATOM 2005 CG ASP A 126 13.282 -5.353 -1.798 1.00 0.00 C ATOM 2006 OD1 ASP A 126 14.310 -5.625 -1.199 1.00 0.00 O ATOM 2007 OD2 ASP A 126 12.932 -5.893 -2.834 1.00 0.00 O ATOM 0 H ASP A 126 9.878 -5.317 0.558 1.00 0.00 H new ATOM 0 HA ASP A 126 12.124 -5.733 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.524 -4.097 -1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.920 -3.323 -1.149 1.00 0.00 H new ATOM 2012 N ASP A 127 11.921 -3.649 2.370 1.00 0.00 N ATOM 2013 CA ASP A 127 12.460 -2.849 3.532 1.00 0.00 C ATOM 2014 C ASP A 127 12.002 -1.393 3.445 1.00 0.00 C ATOM 2015 O ASP A 127 12.207 -0.629 4.372 1.00 0.00 O ATOM 2016 CB ASP A 127 13.993 -2.899 3.614 1.00 0.00 C ATOM 2017 CG ASP A 127 14.431 -2.796 5.076 1.00 0.00 C ATOM 2018 OD1 ASP A 127 14.261 -3.767 5.795 1.00 0.00 O ATOM 2019 OD2 ASP A 127 14.930 -1.748 5.452 1.00 0.00 O ATOM 0 H ASP A 127 10.993 -4.038 2.539 1.00 0.00 H new ATOM 0 HA ASP A 127 12.060 -3.306 4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 127 14.361 -3.828 3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 127 14.425 -2.082 3.036 1.00 0.00 H new ATOM 2024 N VAL A 128 11.367 -0.997 2.367 1.00 0.00 N ATOM 2025 CA VAL A 128 10.890 0.400 2.271 1.00 0.00 C ATOM 2026 C VAL A 128 9.542 0.487 2.984 1.00 0.00 C ATOM 2027 O VAL A 128 9.001 -0.511 3.412 1.00 0.00 O ATOM 2028 CB VAL A 128 10.728 0.793 0.789 1.00 0.00 C ATOM 2029 CG1 VAL A 128 12.005 0.458 0.014 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.556 0.043 0.156 1.00 0.00 C ATOM 0 H VAL A 128 11.164 -1.585 1.559 1.00 0.00 H new ATOM 0 HA VAL A 128 11.605 1.080 2.733 1.00 0.00 H new ATOM 0 HB VAL A 128 10.536 1.865 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 128 11.880 0.739 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.844 1.008 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.201 -0.612 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.459 0.335 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.735 -1.030 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.637 0.289 0.688 1.00 0.00 H new ATOM 2040 N VAL A 129 8.996 1.659 3.086 1.00 0.00 N ATOM 2041 CA VAL A 129 7.668 1.812 3.731 1.00 0.00 C ATOM 2042 C VAL A 129 7.007 3.087 3.209 1.00 0.00 C ATOM 2043 O VAL A 129 7.482 4.188 3.412 1.00 0.00 O ATOM 2044 CB VAL A 129 7.833 1.781 5.270 1.00 0.00 C ATOM 2045 CG1 VAL A 129 6.899 2.786 5.980 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.513 0.359 5.764 1.00 0.00 C ATOM 0 H VAL A 129 9.415 2.525 2.748 1.00 0.00 H new ATOM 0 HA VAL A 129 7.006 0.984 3.477 1.00 0.00 H new ATOM 0 HB VAL A 129 8.858 2.064 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 129 7.052 2.726 7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 129 7.123 3.796 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.862 2.546 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.624 0.317 6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.489 0.102 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.199 -0.350 5.301 1.00 0.00 H new ATOM 2056 N CYS A 130 5.907 2.917 2.535 1.00 0.00 N ATOM 2057 CA CYS A 130 5.171 4.082 1.974 1.00 0.00 C ATOM 2058 C CYS A 130 4.045 4.476 2.929 1.00 0.00 C ATOM 2059 O CYS A 130 2.942 3.971 2.842 1.00 0.00 O ATOM 2060 CB CYS A 130 4.578 3.706 0.614 1.00 0.00 C ATOM 2061 SG CYS A 130 4.195 5.211 -0.315 1.00 0.00 S ATOM 0 H CYS A 130 5.481 2.010 2.346 1.00 0.00 H new ATOM 0 HA CYS A 130 5.856 4.921 1.851 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.283 3.091 0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 130 3.675 3.111 0.751 1.00 0.00 H new ATOM 0 HG CYS A 130 3.693 4.892 -1.471 1.00 0.00 H new ATOM 2067 N THR A 131 4.321 5.375 3.837 1.00 0.00 N ATOM 2068 CA THR A 131 3.278 5.819 4.805 1.00 0.00 C ATOM 2069 C THR A 131 2.613 7.085 4.273 1.00 0.00 C ATOM 2070 O THR A 131 3.274 7.972 3.764 1.00 0.00 O ATOM 2071 CB THR A 131 3.930 6.128 6.154 1.00 0.00 C ATOM 2072 OG1 THR A 131 5.094 5.329 6.311 1.00 0.00 O ATOM 2073 CG2 THR A 131 2.944 5.827 7.283 1.00 0.00 C ATOM 0 H THR A 131 5.231 5.823 3.949 1.00 0.00 H new ATOM 0 HA THR A 131 2.536 5.030 4.930 1.00 0.00 H new ATOM 0 HB THR A 131 4.206 7.182 6.190 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.513 5.528 7.174 1.00 0.00 H new ATOM 0 HG21 THR A 131 3.411 6.048 8.243 1.00 0.00 H new ATOM 0 HG22 THR A 131 2.053 6.444 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 131 2.663 4.774 7.250 1.00 0.00 H new ATOM 2081 N ARG A 132 1.314 7.175 4.380 1.00 0.00 N ATOM 2082 CA ARG A 132 0.608 8.385 3.874 1.00 0.00 C ATOM 2083 C ARG A 132 -0.727 8.539 4.590 1.00 0.00 C ATOM 2084 O ARG A 132 -1.561 7.662 4.540 1.00 0.00 O ATOM 2085 CB ARG A 132 0.367 8.225 2.369 1.00 0.00 C ATOM 2086 CG ARG A 132 1.327 9.118 1.591 1.00 0.00 C ATOM 2087 CD ARG A 132 1.862 8.355 0.379 1.00 0.00 C ATOM 2088 NE ARG A 132 3.053 9.059 -0.174 1.00 0.00 N ATOM 2089 CZ ARG A 132 3.316 8.995 -1.451 1.00 0.00 C ATOM 2090 NH1 ARG A 132 2.456 9.456 -2.318 1.00 0.00 N ATOM 2091 NH2 ARG A 132 4.438 8.468 -1.860 1.00 0.00 N ATOM 0 H ARG A 132 0.713 6.463 4.796 1.00 0.00 H new ATOM 0 HA ARG A 132 1.216 9.270 4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.508 7.184 2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -0.663 8.486 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 132 0.816 10.025 1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 132 2.152 9.429 2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 132 2.130 7.338 0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.088 8.277 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 132 3.663 9.591 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 132 1.579 9.866 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 132 2.661 9.406 -3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 132 5.109 8.106 -1.182 1.00 0.00 H new ATOM 0 HH22 ARG A 132 4.644 8.418 -2.858 1.00 0.00 H new ATOM 2105 N VAL A 133 -0.946 9.656 5.234 1.00 0.00 N ATOM 2106 CA VAL A 133 -2.246 9.863 5.927 1.00 0.00 C ATOM 2107 C VAL A 133 -3.278 10.262 4.878 1.00 0.00 C ATOM 2108 O VAL A 133 -2.951 10.845 3.868 1.00 0.00 O ATOM 2109 CB VAL A 133 -2.099 10.961 6.995 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -3.473 11.354 7.549 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -1.228 10.435 8.136 1.00 0.00 C ATOM 0 H VAL A 133 -0.283 10.428 5.308 1.00 0.00 H new ATOM 0 HA VAL A 133 -2.565 8.950 6.429 1.00 0.00 H new ATOM 0 HB VAL A 133 -1.637 11.838 6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.352 12.132 8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.098 11.728 6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -3.947 10.482 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.119 11.208 8.897 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.698 9.556 8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -0.245 10.166 7.749 1.00 0.00 H new ATOM 2121 N TYR A 134 -4.516 9.949 5.119 1.00 0.00 N ATOM 2122 CA TYR A 134 -5.579 10.307 4.149 1.00 0.00 C ATOM 2123 C TYR A 134 -6.783 10.850 4.897 1.00 0.00 C ATOM 2124 O TYR A 134 -6.889 10.726 6.100 1.00 0.00 O ATOM 2125 CB TYR A 134 -6.056 9.073 3.402 1.00 0.00 C ATOM 2126 CG TYR A 134 -5.005 8.579 2.452 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -3.856 7.962 2.947 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -5.191 8.720 1.076 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -2.889 7.483 2.063 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -4.225 8.244 0.190 1.00 0.00 C ATOM 2131 CZ TYR A 134 -3.071 7.623 0.682 1.00 0.00 C ATOM 2132 OH TYR A 134 -2.115 7.149 -0.193 1.00 0.00 O ATOM 0 H TYR A 134 -4.839 9.457 5.952 1.00 0.00 H new ATOM 0 HA TYR A 134 -5.167 11.042 3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -6.306 8.287 4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -6.968 9.306 2.852 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -3.715 7.855 4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -6.083 9.198 0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -1.999 7.004 2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -4.367 8.354 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 134 -2.398 7.326 -1.114 1.00 0.00 H new ATOM 2142 N VAL A 135 -7.711 11.403 4.177 1.00 0.00 N ATOM 2143 CA VAL A 135 -8.952 11.910 4.798 1.00 0.00 C ATOM 2144 C VAL A 135 -10.090 11.555 3.859 1.00 0.00 C ATOM 2145 O VAL A 135 -9.860 11.271 2.703 1.00 0.00 O ATOM 2146 CB VAL A 135 -8.877 13.408 4.977 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -10.156 13.895 5.643 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -7.684 13.739 5.862 1.00 0.00 C ATOM 0 H VAL A 135 -7.658 11.526 3.166 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.101 11.467 5.782 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.763 13.896 4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -10.109 14.976 5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -11.011 13.643 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -10.265 13.415 6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -7.620 14.819 5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -7.806 13.258 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -6.770 13.378 5.390 1.00 0.00 H new ATOM 2158 N ARG A 136 -11.300 11.547 4.323 1.00 0.00 N ATOM 2159 CA ARG A 136 -12.404 11.177 3.397 1.00 0.00 C ATOM 2160 C ARG A 136 -12.858 12.405 2.622 1.00 0.00 C ATOM 2161 O ARG A 136 -13.351 13.366 3.180 1.00 0.00 O ATOM 2162 CB ARG A 136 -13.592 10.564 4.141 1.00 0.00 C ATOM 2163 CG ARG A 136 -13.588 9.045 3.951 1.00 0.00 C ATOM 2164 CD ARG A 136 -14.040 8.361 5.243 1.00 0.00 C ATOM 2165 NE ARG A 136 -15.483 8.645 5.479 1.00 0.00 N ATOM 2166 CZ ARG A 136 -16.276 7.693 5.889 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -16.290 7.352 7.148 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -17.054 7.081 5.038 1.00 0.00 N ATOM 0 H ARG A 136 -11.573 11.774 5.279 1.00 0.00 H new ATOM 0 HA ARG A 136 -12.021 10.424 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -13.535 10.808 5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -14.525 10.985 3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -14.252 8.770 3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -12.588 8.706 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -13.877 7.285 5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -13.446 8.720 6.084 1.00 0.00 H new ATOM 0 HE ARG A 136 -15.851 9.583 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -15.681 7.829 7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -16.910 6.608 7.468 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -17.042 7.347 4.053 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -17.674 6.337 5.358 1.00 0.00 H new ATOM 2182 N GLU A 137 -12.688 12.364 1.331 1.00 0.00 N ATOM 2183 CA GLU A 137 -13.095 13.506 0.450 1.00 0.00 C ATOM 2184 C GLU A 137 -14.506 13.999 0.804 1.00 0.00 C ATOM 2185 O GLU A 137 -15.420 13.192 0.769 1.00 0.00 O ATOM 2186 CB GLU A 137 -13.090 13.037 -1.005 1.00 0.00 C ATOM 2187 CG GLU A 137 -12.958 14.249 -1.934 1.00 0.00 C ATOM 2188 CD GLU A 137 -14.335 14.633 -2.480 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -15.107 15.210 -1.732 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -14.594 14.343 -3.636 1.00 0.00 O ATOM 2191 OXT GLU A 137 -14.645 15.174 1.102 1.00 0.00 O ATOM 0 H GLU A 137 -12.276 11.574 0.835 1.00 0.00 H new ATOM 0 HA GLU A 137 -12.390 14.325 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -12.264 12.346 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -14.009 12.495 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -12.524 15.089 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -12.282 14.017 -2.757 1.00 0.00 H new