USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 31 TYR OH : rot 180:sc= 0.533 USER MOD Set 1.2: A 38 SER OG : rot 85:sc= 0.329 USER MOD Single : A 12 HIS : no HD1:sc=-0.00159 X(o=-0.0016,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 174:sc= -0.468 (180deg=-0.528) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 176:sc= -0.0407 (180deg=-0.0534) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.25 F(o=-3!,f=-0.25) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.2) USER MOD Single : A 52 HIS :FLIP no HD1:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0.641 (180deg=0.564) USER MOD Single : A 65 ASN : amide:sc= -0.677 K(o=-0.68,f=-3.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.438 K(o=-0.44,f=-4.2!) USER MOD Single : A 77 CYS SG : rot 26:sc= 0.577 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0305 USER MOD Single : A 86 SER OG : rot 180:sc= -0.341 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 3.650 -5.428 8.305 1.00 65.51 N ATOM 80 CA PRO A 6 4.085 -5.977 9.606 1.00 72.15 C ATOM 81 C PRO A 6 2.909 -6.279 10.558 1.00 13.13 C ATOM 82 O PRO A 6 1.945 -5.513 10.644 1.00 13.11 O ATOM 83 CB PRO A 6 4.988 -4.869 10.186 1.00 10.42 C ATOM 84 CG PRO A 6 5.345 -4.007 9.018 1.00 55.24 C ATOM 85 CD PRO A 6 4.157 -4.060 8.097 1.00 42.34 C ATOM 0 HA PRO A 6 4.590 -6.935 9.485 1.00 72.15 H new ATOM 0 HB2 PRO A 6 4.467 -4.297 10.953 1.00 10.42 H new ATOM 0 HB3 PRO A 6 5.879 -5.290 10.652 1.00 10.42 H new ATOM 0 HG2 PRO A 6 5.550 -2.984 9.334 1.00 55.24 H new ATOM 0 HG3 PRO A 6 6.243 -4.373 8.521 1.00 55.24 H new ATOM 0 HD2 PRO A 6 3.411 -3.308 8.354 1.00 42.34 H new ATOM 0 HD3 PRO A 6 4.441 -3.886 7.059 1.00 42.34 H new ATOM 93 N ILE A 7 3.006 -7.394 11.282 1.00 2.42 N ATOM 94 CA ILE A 7 1.936 -7.834 12.185 1.00 21.11 C ATOM 95 C ILE A 7 1.982 -7.066 13.520 1.00 31.01 C ATOM 96 O ILE A 7 2.819 -7.340 14.380 1.00 45.32 O ATOM 97 CB ILE A 7 2.009 -9.365 12.463 1.00 53.33 C ATOM 98 CG1 ILE A 7 1.833 -10.187 11.164 1.00 54.34 C ATOM 99 CG2 ILE A 7 0.957 -9.776 13.494 1.00 1.01 C ATOM 100 CD1 ILE A 7 3.022 -10.138 10.217 1.00 44.22 C ATOM 0 H ILE A 7 3.817 -8.013 11.262 1.00 2.42 H new ATOM 0 HA ILE A 7 0.993 -7.618 11.682 1.00 21.11 H new ATOM 0 HB ILE A 7 3.000 -9.578 12.864 1.00 53.33 H new ATOM 0 HG12 ILE A 7 1.640 -11.226 11.431 1.00 54.34 H new ATOM 0 HG13 ILE A 7 0.950 -9.824 10.637 1.00 54.34 H new ATOM 0 HG21 ILE A 7 1.024 -10.849 13.675 1.00 1.01 H new ATOM 0 HG22 ILE A 7 1.132 -9.239 14.426 1.00 1.01 H new ATOM 0 HG23 ILE A 7 -0.036 -9.533 13.117 1.00 1.01 H new ATOM 0 HD11 ILE A 7 2.810 -10.742 9.335 1.00 44.22 H new ATOM 0 HD12 ILE A 7 3.205 -9.107 9.915 1.00 44.22 H new ATOM 0 HD13 ILE A 7 3.905 -10.530 10.721 1.00 44.22 H new ATOM 112 N GLU A 8 1.084 -6.095 13.677 1.00 64.11 N ATOM 113 CA GLU A 8 1.023 -5.285 14.901 1.00 63.44 C ATOM 114 C GLU A 8 0.047 -5.896 15.920 1.00 61.32 C ATOM 115 O GLU A 8 -1.161 -5.969 15.679 1.00 35.10 O ATOM 116 CB GLU A 8 0.623 -3.837 14.546 1.00 52.45 C ATOM 117 CG GLU A 8 0.665 -2.844 15.715 1.00 51.31 C ATOM 118 CD GLU A 8 -0.603 -2.839 16.562 1.00 4.52 C ATOM 119 OE1 GLU A 8 -1.611 -2.244 16.128 1.00 11.14 O ATOM 120 OE2 GLU A 8 -0.597 -3.421 17.666 1.00 24.14 O ATOM 0 H GLU A 8 0.387 -5.847 12.975 1.00 64.11 H new ATOM 0 HA GLU A 8 2.009 -5.273 15.364 1.00 63.44 H new ATOM 0 HB2 GLU A 8 1.286 -3.476 13.759 1.00 52.45 H new ATOM 0 HB3 GLU A 8 -0.386 -3.846 14.134 1.00 52.45 H new ATOM 0 HG2 GLU A 8 1.516 -3.083 16.353 1.00 51.31 H new ATOM 0 HG3 GLU A 8 0.833 -1.841 15.322 1.00 51.31 H new ATOM 127 N ILE A 9 0.580 -6.350 17.055 1.00 20.22 N ATOM 128 CA ILE A 9 -0.242 -6.934 18.123 1.00 14.24 C ATOM 129 C ILE A 9 0.029 -6.251 19.474 1.00 61.42 C ATOM 130 O ILE A 9 1.111 -6.400 20.051 1.00 71.24 O ATOM 131 CB ILE A 9 0.012 -8.458 18.272 1.00 51.42 C ATOM 132 CG1 ILE A 9 -0.273 -9.186 16.947 1.00 4.42 C ATOM 133 CG2 ILE A 9 -0.847 -9.039 19.396 1.00 23.42 C ATOM 134 CD1 ILE A 9 -0.003 -10.677 16.993 1.00 10.21 C ATOM 0 H ILE A 9 1.579 -6.326 17.261 1.00 20.22 H new ATOM 0 HA ILE A 9 -1.281 -6.772 17.837 1.00 14.24 H new ATOM 0 HB ILE A 9 1.061 -8.606 18.528 1.00 51.42 H new ATOM 0 HG12 ILE A 9 -1.315 -9.024 16.672 1.00 4.42 H new ATOM 0 HG13 ILE A 9 0.337 -8.741 16.161 1.00 4.42 H new ATOM 0 HG21 ILE A 9 -0.655 -10.108 19.485 1.00 23.42 H new ATOM 0 HG22 ILE A 9 -0.598 -8.546 20.336 1.00 23.42 H new ATOM 0 HG23 ILE A 9 -1.901 -8.877 19.169 1.00 23.42 H new ATOM 0 HD11 ILE A 9 -0.228 -11.118 16.022 1.00 10.21 H new ATOM 0 HD12 ILE A 9 1.046 -10.850 17.236 1.00 10.21 H new ATOM 0 HD13 ILE A 9 -0.632 -11.137 17.755 1.00 10.21 H new ATOM 146 N ALA A 10 -0.952 -5.492 19.966 1.00 60.42 N ATOM 147 CA ALA A 10 -0.846 -4.817 21.270 1.00 21.33 C ATOM 148 C ALA A 10 0.381 -3.889 21.340 1.00 70.52 C ATOM 149 O ALA A 10 0.983 -3.712 22.400 1.00 4.32 O ATOM 150 CB ALA A 10 -0.807 -5.853 22.397 1.00 64.15 C ATOM 0 H ALA A 10 -1.834 -5.326 19.482 1.00 60.42 H new ATOM 0 HA ALA A 10 -1.729 -4.190 21.393 1.00 21.33 H new ATOM 0 HB1 ALA A 10 -0.729 -5.343 23.357 1.00 64.15 H new ATOM 0 HB2 ALA A 10 -1.720 -6.448 22.376 1.00 64.15 H new ATOM 0 HB3 ALA A 10 0.055 -6.506 22.261 1.00 64.15 H new ATOM 156 N GLY A 11 0.735 -3.288 20.206 1.00 42.15 N ATOM 157 CA GLY A 11 1.895 -2.400 20.142 1.00 72.14 C ATOM 158 C GLY A 11 3.156 -3.103 19.654 1.00 71.31 C ATOM 159 O GLY A 11 4.084 -2.462 19.155 1.00 30.14 O ATOM 0 H GLY A 11 0.238 -3.399 19.322 1.00 42.15 H new ATOM 0 HA2 GLY A 11 1.671 -1.565 19.478 1.00 72.14 H new ATOM 0 HA3 GLY A 11 2.079 -1.980 21.131 1.00 72.14 H new ATOM 163 N HIS A 12 3.190 -4.424 19.795 1.00 55.53 N ATOM 164 CA HIS A 12 4.343 -5.220 19.367 1.00 32.41 C ATOM 165 C HIS A 12 4.324 -5.432 17.843 1.00 11.05 C ATOM 166 O HIS A 12 3.536 -6.225 17.328 1.00 10.30 O ATOM 167 CB HIS A 12 4.351 -6.570 20.095 1.00 44.33 C ATOM 168 CG HIS A 12 4.445 -6.450 21.589 1.00 42.11 C ATOM 169 ND1 HIS A 12 5.633 -6.564 22.277 1.00 5.23 N ATOM 170 CD2 HIS A 12 3.493 -6.230 22.530 1.00 3.31 C ATOM 171 CE1 HIS A 12 5.411 -6.422 23.568 1.00 55.14 C ATOM 172 NE2 HIS A 12 4.124 -6.217 23.751 1.00 14.35 N ATOM 0 H HIS A 12 2.432 -4.971 20.203 1.00 55.53 H new ATOM 0 HA HIS A 12 5.252 -4.677 19.623 1.00 32.41 H new ATOM 0 HB2 HIS A 12 3.443 -7.116 19.840 1.00 44.33 H new ATOM 0 HB3 HIS A 12 5.191 -7.163 19.733 1.00 44.33 H new ATOM 0 HD2 HIS A 12 2.437 -6.091 22.353 1.00 3.31 H new ATOM 0 HE1 HIS A 12 6.159 -6.466 24.345 1.00 55.14 H new ATOM 0 HE2 HIS A 12 3.669 -6.072 24.652 1.00 14.35 H new ATOM 181 N GLU A 13 5.188 -4.706 17.134 1.00 24.32 N ATOM 182 CA GLU A 13 5.239 -4.758 15.665 1.00 22.02 C ATOM 183 C GLU A 13 6.184 -5.862 15.163 1.00 33.12 C ATOM 184 O GLU A 13 7.403 -5.771 15.323 1.00 32.10 O ATOM 185 CB GLU A 13 5.689 -3.396 15.116 1.00 34.41 C ATOM 186 CG GLU A 13 4.789 -2.244 15.544 1.00 40.41 C ATOM 187 CD GLU A 13 5.298 -0.892 15.072 1.00 41.14 C ATOM 188 OE1 GLU A 13 4.928 -0.465 13.961 1.00 52.35 O ATOM 189 OE2 GLU A 13 6.073 -0.251 15.809 1.00 55.34 O ATOM 0 H GLU A 13 5.867 -4.070 17.552 1.00 24.32 H new ATOM 0 HA GLU A 13 4.238 -4.992 15.304 1.00 22.02 H new ATOM 0 HB2 GLU A 13 6.707 -3.196 15.451 1.00 34.41 H new ATOM 0 HB3 GLU A 13 5.715 -3.442 14.027 1.00 34.41 H new ATOM 0 HG2 GLU A 13 3.786 -2.407 15.150 1.00 40.41 H new ATOM 0 HG3 GLU A 13 4.707 -2.237 16.631 1.00 40.41 H new ATOM 196 N PHE A 14 5.613 -6.900 14.560 1.00 23.23 N ATOM 197 CA PHE A 14 6.398 -8.002 13.989 1.00 53.21 C ATOM 198 C PHE A 14 6.664 -7.776 12.493 1.00 74.55 C ATOM 199 O PHE A 14 5.729 -7.618 11.708 1.00 2.51 O ATOM 200 CB PHE A 14 5.666 -9.334 14.190 1.00 33.53 C ATOM 201 CG PHE A 14 5.424 -9.670 15.639 1.00 74.13 C ATOM 202 CD1 PHE A 14 6.466 -10.102 16.447 1.00 51.45 C ATOM 203 CD2 PHE A 14 4.157 -9.552 16.192 1.00 51.43 C ATOM 204 CE1 PHE A 14 6.250 -10.408 17.776 1.00 10.30 C ATOM 205 CE2 PHE A 14 3.937 -9.857 17.519 1.00 55.13 C ATOM 206 CZ PHE A 14 4.984 -10.286 18.312 1.00 53.20 C ATOM 0 H PHE A 14 4.604 -7.006 14.451 1.00 23.23 H new ATOM 0 HA PHE A 14 7.356 -8.035 14.508 1.00 53.21 H new ATOM 0 HB2 PHE A 14 4.710 -9.297 13.668 1.00 33.53 H new ATOM 0 HB3 PHE A 14 6.248 -10.133 13.732 1.00 33.53 H new ATOM 0 HD1 PHE A 14 7.458 -10.200 16.031 1.00 51.45 H new ATOM 0 HD2 PHE A 14 3.334 -9.218 15.577 1.00 51.43 H new ATOM 0 HE1 PHE A 14 7.070 -10.742 18.395 1.00 10.30 H new ATOM 0 HE2 PHE A 14 2.946 -9.761 17.938 1.00 55.13 H new ATOM 0 HZ PHE A 14 4.812 -10.526 19.351 1.00 53.20 H new ATOM 216 N ALA A 15 7.938 -7.779 12.107 1.00 64.22 N ATOM 217 CA ALA A 15 8.337 -7.522 10.715 1.00 2.12 C ATOM 218 C ALA A 15 7.779 -8.577 9.745 1.00 74.55 C ATOM 219 O ALA A 15 7.318 -8.251 8.647 1.00 71.52 O ATOM 220 CB ALA A 15 9.858 -7.466 10.615 1.00 41.23 C ATOM 0 H ALA A 15 8.719 -7.957 12.738 1.00 64.22 H new ATOM 0 HA ALA A 15 7.914 -6.561 10.423 1.00 2.12 H new ATOM 0 HB1 ALA A 15 10.148 -7.275 9.582 1.00 41.23 H new ATOM 0 HB2 ALA A 15 10.235 -6.665 11.251 1.00 41.23 H new ATOM 0 HB3 ALA A 15 10.279 -8.417 10.940 1.00 41.23 H new ATOM 226 N ARG A 16 7.832 -9.843 10.150 1.00 33.41 N ATOM 227 CA ARG A 16 7.337 -10.945 9.318 1.00 53.22 C ATOM 228 C ARG A 16 6.395 -11.857 10.118 1.00 52.11 C ATOM 229 O ARG A 16 6.344 -11.791 11.346 1.00 4.53 O ATOM 230 CB ARG A 16 8.520 -11.751 8.759 1.00 51.12 C ATOM 231 CG ARG A 16 9.246 -12.599 9.802 1.00 51.43 C ATOM 232 CD ARG A 16 10.599 -13.092 9.301 1.00 74.52 C ATOM 233 NE ARG A 16 11.549 -11.996 9.129 1.00 62.34 N ATOM 234 CZ ARG A 16 12.614 -12.054 8.378 1.00 62.15 C ATOM 235 NH1 ARG A 16 12.903 -13.135 7.723 1.00 53.22 N ATOM 236 NH2 ARG A 16 13.395 -11.025 8.293 1.00 72.24 N ATOM 0 H ARG A 16 8.213 -10.135 11.050 1.00 33.41 H new ATOM 0 HA ARG A 16 6.770 -10.524 8.487 1.00 53.22 H new ATOM 0 HB2 ARG A 16 8.158 -12.403 7.964 1.00 51.12 H new ATOM 0 HB3 ARG A 16 9.233 -11.062 8.306 1.00 51.12 H new ATOM 0 HG2 ARG A 16 9.388 -12.013 10.710 1.00 51.43 H new ATOM 0 HG3 ARG A 16 8.625 -13.454 10.069 1.00 51.43 H new ATOM 0 HD2 ARG A 16 11.005 -13.817 10.006 1.00 74.52 H new ATOM 0 HD3 ARG A 16 10.467 -13.611 8.351 1.00 74.52 H new ATOM 0 HE ARG A 16 11.367 -11.126 9.630 1.00 62.34 H new ATOM 0 HH11 ARG A 16 12.295 -13.951 7.792 1.00 53.22 H new ATOM 0 HH12 ARG A 16 13.738 -13.169 7.139 1.00 53.22 H new ATOM 0 HH21 ARG A 16 13.176 -10.174 8.812 1.00 72.24 H new ATOM 0 HH22 ARG A 16 14.229 -11.065 7.707 1.00 72.24 H new ATOM 250 N LYS A 17 5.654 -12.711 9.419 1.00 53.21 N ATOM 251 CA LYS A 17 4.703 -13.622 10.069 1.00 2.34 C ATOM 252 C LYS A 17 5.435 -14.609 10.993 1.00 2.31 C ATOM 253 O LYS A 17 4.962 -14.938 12.086 1.00 54.12 O ATOM 254 CB LYS A 17 3.910 -14.393 9.004 1.00 25.21 C ATOM 255 CG LYS A 17 2.735 -15.207 9.549 1.00 40.13 C ATOM 256 CD LYS A 17 1.466 -14.366 9.699 1.00 0.12 C ATOM 257 CE LYS A 17 0.282 -15.217 10.154 1.00 23.35 C ATOM 258 NZ LYS A 17 -1.022 -14.515 9.991 1.00 73.05 N ATOM 0 H LYS A 17 5.690 -12.795 8.403 1.00 53.21 H new ATOM 0 HA LYS A 17 4.017 -13.030 10.674 1.00 2.34 H new ATOM 0 HB2 LYS A 17 3.533 -13.684 8.267 1.00 25.21 H new ATOM 0 HB3 LYS A 17 4.589 -15.066 8.481 1.00 25.21 H new ATOM 0 HG2 LYS A 17 2.536 -16.045 8.881 1.00 40.13 H new ATOM 0 HG3 LYS A 17 3.006 -15.628 10.517 1.00 40.13 H new ATOM 0 HD2 LYS A 17 1.640 -13.568 10.420 1.00 0.12 H new ATOM 0 HD3 LYS A 17 1.229 -13.890 8.748 1.00 0.12 H new ATOM 0 HE2 LYS A 17 0.265 -16.145 9.583 1.00 23.35 H new ATOM 0 HE3 LYS A 17 0.416 -15.490 11.201 1.00 23.35 H new ATOM 0 HZ1 LYS A 17 -1.792 -15.135 10.314 1.00 73.05 H new ATOM 0 HZ2 LYS A 17 -1.019 -13.642 10.557 1.00 73.05 H new ATOM 0 HZ3 LYS A 17 -1.166 -14.278 8.989 1.00 73.05 H new ATOM 272 N ALA A 18 6.601 -15.062 10.538 1.00 10.11 N ATOM 273 CA ALA A 18 7.445 -15.980 11.309 1.00 50.42 C ATOM 274 C ALA A 18 7.817 -15.409 12.689 1.00 22.22 C ATOM 275 O ALA A 18 8.048 -16.165 13.639 1.00 65.31 O ATOM 276 CB ALA A 18 8.701 -16.315 10.515 1.00 31.20 C ATOM 0 H ALA A 18 6.988 -14.806 9.630 1.00 10.11 H new ATOM 0 HA ALA A 18 6.871 -16.890 11.485 1.00 50.42 H new ATOM 0 HB1 ALA A 18 9.325 -16.997 11.092 1.00 31.20 H new ATOM 0 HB2 ALA A 18 8.421 -16.788 9.573 1.00 31.20 H new ATOM 0 HB3 ALA A 18 9.257 -15.400 10.310 1.00 31.20 H new ATOM 282 N ASP A 19 7.873 -14.077 12.792 1.00 1.14 N ATOM 283 CA ASP A 19 8.153 -13.405 14.067 1.00 52.13 C ATOM 284 C ASP A 19 7.068 -13.711 15.108 1.00 1.44 C ATOM 285 O ASP A 19 7.367 -14.069 16.247 1.00 43.23 O ATOM 286 CB ASP A 19 8.260 -11.886 13.861 1.00 54.40 C ATOM 287 CG ASP A 19 9.587 -11.461 13.258 1.00 12.54 C ATOM 288 OD1 ASP A 19 10.641 -11.919 13.748 1.00 24.45 O ATOM 289 OD2 ASP A 19 9.587 -10.664 12.295 1.00 20.03 O ATOM 0 H ASP A 19 7.728 -13.442 12.007 1.00 1.14 H new ATOM 0 HA ASP A 19 9.104 -13.786 14.439 1.00 52.13 H new ATOM 0 HB2 ASP A 19 7.450 -11.555 13.212 1.00 54.40 H new ATOM 0 HB3 ASP A 19 8.126 -11.385 14.819 1.00 54.40 H new ATOM 294 N ALA A 20 5.807 -13.574 14.703 1.00 3.10 N ATOM 295 CA ALA A 20 4.671 -13.822 15.598 1.00 71.13 C ATOM 296 C ALA A 20 4.685 -15.257 16.152 1.00 64.15 C ATOM 297 O ALA A 20 4.523 -15.473 17.356 1.00 4.14 O ATOM 298 CB ALA A 20 3.359 -13.548 14.869 1.00 2.10 C ATOM 0 H ALA A 20 5.542 -13.292 13.759 1.00 3.10 H new ATOM 0 HA ALA A 20 4.760 -13.142 16.445 1.00 71.13 H new ATOM 0 HB1 ALA A 20 2.523 -13.735 15.542 1.00 2.10 H new ATOM 0 HB2 ALA A 20 3.335 -12.509 14.541 1.00 2.10 H new ATOM 0 HB3 ALA A 20 3.281 -14.204 14.002 1.00 2.10 H new ATOM 304 N LEU A 21 4.885 -16.232 15.267 1.00 31.21 N ATOM 305 CA LEU A 21 4.924 -17.645 15.665 1.00 64.23 C ATOM 306 C LEU A 21 6.108 -17.937 16.601 1.00 75.41 C ATOM 307 O LEU A 21 5.953 -18.591 17.634 1.00 44.42 O ATOM 308 CB LEU A 21 5.011 -18.550 14.428 1.00 25.43 C ATOM 309 CG LEU A 21 3.875 -18.387 13.404 1.00 43.22 C ATOM 310 CD1 LEU A 21 3.997 -19.433 12.299 1.00 41.53 C ATOM 311 CD2 LEU A 21 2.511 -18.474 14.088 1.00 14.24 C ATOM 0 H LEU A 21 5.023 -16.073 14.269 1.00 31.21 H new ATOM 0 HA LEU A 21 4.001 -17.856 16.205 1.00 64.23 H new ATOM 0 HB2 LEU A 21 5.959 -18.358 13.926 1.00 25.43 H new ATOM 0 HB3 LEU A 21 5.031 -19.588 14.760 1.00 25.43 H new ATOM 0 HG LEU A 21 3.961 -17.400 12.951 1.00 43.22 H new ATOM 0 HD11 LEU A 21 3.185 -19.303 11.583 1.00 41.53 H new ATOM 0 HD12 LEU A 21 4.953 -19.314 11.789 1.00 41.53 H new ATOM 0 HD13 LEU A 21 3.940 -20.431 12.734 1.00 41.53 H new ATOM 0 HD21 LEU A 21 1.723 -18.356 13.344 1.00 14.24 H new ATOM 0 HD22 LEU A 21 2.409 -19.444 14.574 1.00 14.24 H new ATOM 0 HD23 LEU A 21 2.427 -17.684 14.834 1.00 14.24 H new ATOM 323 N ALA A 22 7.292 -17.448 16.229 1.00 1.21 N ATOM 324 CA ALA A 22 8.505 -17.643 17.033 1.00 21.51 C ATOM 325 C ALA A 22 8.362 -17.018 18.429 1.00 74.32 C ATOM 326 O ALA A 22 8.576 -17.682 19.444 1.00 74.44 O ATOM 327 CB ALA A 22 9.714 -17.057 16.305 1.00 71.20 C ATOM 0 H ALA A 22 7.439 -16.912 15.374 1.00 1.21 H new ATOM 0 HA ALA A 22 8.654 -18.715 17.167 1.00 21.51 H new ATOM 0 HB1 ALA A 22 10.609 -17.206 16.908 1.00 71.20 H new ATOM 0 HB2 ALA A 22 9.837 -17.556 15.344 1.00 71.20 H new ATOM 0 HB3 ALA A 22 9.559 -15.990 16.143 1.00 71.20 H new ATOM 333 N PHE A 23 7.976 -15.742 18.461 1.00 3.34 N ATOM 334 CA PHE A 23 7.795 -15.002 19.717 1.00 53.54 C ATOM 335 C PHE A 23 6.857 -15.746 20.682 1.00 71.25 C ATOM 336 O PHE A 23 7.263 -16.136 21.780 1.00 73.23 O ATOM 337 CB PHE A 23 7.243 -13.600 19.413 1.00 51.25 C ATOM 338 CG PHE A 23 7.025 -12.735 20.632 1.00 22.23 C ATOM 339 CD1 PHE A 23 8.099 -12.139 21.279 1.00 30.24 C ATOM 340 CD2 PHE A 23 5.744 -12.508 21.121 1.00 64.31 C ATOM 341 CE1 PHE A 23 7.900 -11.336 22.388 1.00 43.42 C ATOM 342 CE2 PHE A 23 5.540 -11.707 22.230 1.00 0.00 C ATOM 343 CZ PHE A 23 6.619 -11.120 22.863 1.00 63.53 C ATOM 0 H PHE A 23 7.780 -15.192 17.624 1.00 3.34 H new ATOM 0 HA PHE A 23 8.766 -14.915 20.205 1.00 53.54 H new ATOM 0 HB2 PHE A 23 7.932 -13.090 18.740 1.00 51.25 H new ATOM 0 HB3 PHE A 23 6.297 -13.703 18.882 1.00 51.25 H new ATOM 0 HD1 PHE A 23 9.101 -12.304 20.912 1.00 30.24 H new ATOM 0 HD2 PHE A 23 4.897 -12.963 20.629 1.00 64.31 H new ATOM 0 HE1 PHE A 23 8.744 -10.878 22.882 1.00 43.42 H new ATOM 0 HE2 PHE A 23 4.539 -11.541 22.601 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.462 -10.493 23.728 1.00 63.53 H new ATOM 353 N MET A 24 5.609 -15.954 20.260 1.00 22.12 N ATOM 354 CA MET A 24 4.611 -16.624 21.098 1.00 41.44 C ATOM 355 C MET A 24 5.038 -18.044 21.505 1.00 60.44 C ATOM 356 O MET A 24 4.685 -18.508 22.587 1.00 34.51 O ATOM 357 CB MET A 24 3.246 -16.645 20.399 1.00 74.23 C ATOM 358 CG MET A 24 2.570 -15.279 20.363 1.00 25.51 C ATOM 359 SD MET A 24 0.928 -15.321 19.618 1.00 70.02 S ATOM 360 CE MET A 24 1.334 -15.662 17.909 1.00 51.33 C ATOM 0 H MET A 24 5.264 -15.669 19.343 1.00 22.12 H new ATOM 0 HA MET A 24 4.528 -16.045 22.018 1.00 41.44 H new ATOM 0 HB2 MET A 24 3.373 -17.008 19.379 1.00 74.23 H new ATOM 0 HB3 MET A 24 2.594 -17.353 20.910 1.00 74.23 H new ATOM 0 HG2 MET A 24 2.492 -14.892 21.379 1.00 25.51 H new ATOM 0 HG3 MET A 24 3.198 -14.584 19.805 1.00 25.51 H new ATOM 0 HE1 MET A 24 0.417 -15.823 17.342 1.00 51.33 H new ATOM 0 HE2 MET A 24 1.877 -14.816 17.488 1.00 51.33 H new ATOM 0 HE3 MET A 24 1.956 -16.556 17.854 1.00 51.33 H new ATOM 370 N LYS A 25 5.799 -18.736 20.657 1.00 70.05 N ATOM 371 CA LYS A 25 6.307 -20.066 21.019 1.00 35.45 C ATOM 372 C LYS A 25 7.358 -19.975 22.141 1.00 34.21 C ATOM 373 O LYS A 25 7.288 -20.714 23.122 1.00 72.13 O ATOM 374 CB LYS A 25 6.907 -20.797 19.810 1.00 5.41 C ATOM 375 CG LYS A 25 7.388 -22.206 20.153 1.00 13.53 C ATOM 376 CD LYS A 25 8.030 -22.916 18.965 1.00 2.52 C ATOM 377 CE LYS A 25 8.528 -24.303 19.359 1.00 21.13 C ATOM 378 NZ LYS A 25 9.206 -25.003 18.236 1.00 3.12 N ATOM 0 H LYS A 25 6.075 -18.409 19.731 1.00 70.05 H new ATOM 0 HA LYS A 25 5.452 -20.640 21.378 1.00 35.45 H new ATOM 0 HB2 LYS A 25 6.160 -20.855 19.018 1.00 5.41 H new ATOM 0 HB3 LYS A 25 7.743 -20.217 19.418 1.00 5.41 H new ATOM 0 HG2 LYS A 25 8.108 -22.151 20.970 1.00 13.53 H new ATOM 0 HG3 LYS A 25 6.544 -22.796 20.511 1.00 13.53 H new ATOM 0 HD2 LYS A 25 7.306 -23.003 18.154 1.00 2.52 H new ATOM 0 HD3 LYS A 25 8.862 -22.321 18.588 1.00 2.52 H new ATOM 0 HE2 LYS A 25 9.219 -24.213 20.197 1.00 21.13 H new ATOM 0 HE3 LYS A 25 7.686 -24.904 19.703 1.00 21.13 H new ATOM 0 HZ1 LYS A 25 9.526 -25.940 18.554 1.00 3.12 H new ATOM 0 HZ2 LYS A 25 8.541 -25.114 17.444 1.00 3.12 H new ATOM 0 HZ3 LYS A 25 10.026 -24.445 17.924 1.00 3.12 H new ATOM 392 N VAL A 26 8.323 -19.060 21.995 1.00 53.51 N ATOM 393 CA VAL A 26 9.375 -18.866 23.005 1.00 1.21 C ATOM 394 C VAL A 26 8.777 -18.635 24.402 1.00 55.34 C ATOM 395 O VAL A 26 9.054 -19.390 25.338 1.00 4.30 O ATOM 396 CB VAL A 26 10.304 -17.677 22.645 1.00 52.44 C ATOM 397 CG1 VAL A 26 11.286 -17.383 23.782 1.00 1.34 C ATOM 398 CG2 VAL A 26 11.056 -17.956 21.343 1.00 63.22 C ATOM 0 H VAL A 26 8.399 -18.441 21.188 1.00 53.51 H new ATOM 0 HA VAL A 26 9.965 -19.782 23.016 1.00 1.21 H new ATOM 0 HB VAL A 26 9.681 -16.794 22.501 1.00 52.44 H new ATOM 0 HG11 VAL A 26 11.925 -16.545 23.503 1.00 1.34 H new ATOM 0 HG12 VAL A 26 10.731 -17.131 24.686 1.00 1.34 H new ATOM 0 HG13 VAL A 26 11.902 -18.263 23.968 1.00 1.34 H new ATOM 0 HG21 VAL A 26 11.702 -17.110 21.108 1.00 63.22 H new ATOM 0 HG22 VAL A 26 11.662 -18.855 21.458 1.00 63.22 H new ATOM 0 HG23 VAL A 26 10.341 -18.102 20.534 1.00 63.22 H new ATOM 408 N MET A 27 7.950 -17.597 24.528 1.00 11.43 N ATOM 409 CA MET A 27 7.266 -17.299 25.795 1.00 11.04 C ATOM 410 C MET A 27 6.424 -18.495 26.278 1.00 1.35 C ATOM 411 O MET A 27 6.421 -18.824 27.462 1.00 64.14 O ATOM 412 CB MET A 27 6.389 -16.043 25.646 1.00 10.51 C ATOM 413 CG MET A 27 5.550 -16.030 24.374 1.00 43.31 C ATOM 414 SD MET A 27 4.656 -14.485 24.117 1.00 71.21 S ATOM 415 CE MET A 27 3.232 -14.729 25.173 1.00 2.33 C ATOM 0 H MET A 27 7.735 -16.947 23.772 1.00 11.43 H new ATOM 0 HA MET A 27 8.029 -17.108 26.550 1.00 11.04 H new ATOM 0 HB2 MET A 27 5.727 -15.969 26.508 1.00 10.51 H new ATOM 0 HB3 MET A 27 7.029 -15.160 25.658 1.00 10.51 H new ATOM 0 HG2 MET A 27 6.200 -16.211 23.518 1.00 43.31 H new ATOM 0 HG3 MET A 27 4.835 -16.852 24.411 1.00 43.31 H new ATOM 0 HE1 MET A 27 2.621 -13.826 25.174 1.00 2.33 H new ATOM 0 HE2 MET A 27 2.642 -15.566 24.800 1.00 2.33 H new ATOM 0 HE3 MET A 27 3.565 -14.943 26.189 1.00 2.33 H new ATOM 425 N LEU A 28 5.736 -19.156 25.347 1.00 24.34 N ATOM 426 CA LEU A 28 4.927 -20.343 25.662 1.00 45.44 C ATOM 427 C LEU A 28 5.778 -21.456 26.304 1.00 2.01 C ATOM 428 O LEU A 28 5.353 -22.110 27.256 1.00 72.11 O ATOM 429 CB LEU A 28 4.263 -20.861 24.380 1.00 64.14 C ATOM 430 CG LEU A 28 3.335 -22.073 24.542 1.00 33.52 C ATOM 431 CD1 LEU A 28 2.187 -21.758 25.497 1.00 1.12 C ATOM 432 CD2 LEU A 28 2.797 -22.513 23.181 1.00 43.43 C ATOM 0 H LEU A 28 5.720 -18.891 24.362 1.00 24.34 H new ATOM 0 HA LEU A 28 4.163 -20.055 26.384 1.00 45.44 H new ATOM 0 HB2 LEU A 28 3.689 -20.047 23.938 1.00 64.14 H new ATOM 0 HB3 LEU A 28 5.047 -21.122 23.669 1.00 64.14 H new ATOM 0 HG LEU A 28 3.913 -22.892 24.970 1.00 33.52 H new ATOM 0 HD11 LEU A 28 1.544 -22.633 25.594 1.00 1.12 H new ATOM 0 HD12 LEU A 28 2.589 -21.493 26.475 1.00 1.12 H new ATOM 0 HD13 LEU A 28 1.606 -20.923 25.105 1.00 1.12 H new ATOM 0 HD21 LEU A 28 2.140 -23.373 23.310 1.00 43.43 H new ATOM 0 HD22 LEU A 28 2.238 -21.694 22.729 1.00 43.43 H new ATOM 0 HD23 LEU A 28 3.629 -22.786 22.532 1.00 43.43 H new ATOM 444 N ASN A 29 6.987 -21.653 25.779 1.00 70.11 N ATOM 445 CA ASN A 29 7.911 -22.675 26.293 1.00 34.12 C ATOM 446 C ASN A 29 8.411 -22.340 27.710 1.00 14.42 C ATOM 447 O ASN A 29 8.868 -23.222 28.438 1.00 22.24 O ATOM 448 CB ASN A 29 9.099 -22.834 25.339 1.00 41.13 C ATOM 449 CG ASN A 29 8.723 -23.506 24.022 1.00 54.11 C ATOM 450 OD1 ASN A 29 7.484 -23.360 23.590 1.00 54.13 O flip ATOM 451 ND2 ASN A 29 9.545 -24.163 23.396 1.00 31.33 N flip ATOM 0 H ASN A 29 7.355 -21.117 24.993 1.00 70.11 H new ATOM 0 HA ASN A 29 7.363 -23.615 26.353 1.00 34.12 H new ATOM 0 HB2 ASN A 29 9.524 -21.852 25.131 1.00 41.13 H new ATOM 0 HB3 ASN A 29 9.876 -23.420 25.830 1.00 41.13 H new ATOM 0 HD21 ASN A 29 10.496 -24.261 23.751 1.00 31.33 H new ATOM 0 HD22 ASN A 29 9.278 -24.612 22.520 1.00 31.33 H new ATOM 458 N ARG A 30 8.337 -21.065 28.093 1.00 22.12 N ATOM 459 CA ARG A 30 8.697 -20.645 29.458 1.00 34.12 C ATOM 460 C ARG A 30 7.584 -21.004 30.456 1.00 74.41 C ATOM 461 O ARG A 30 7.771 -20.928 31.673 1.00 2.40 O ATOM 462 CB ARG A 30 9.018 -19.137 29.509 1.00 11.33 C ATOM 463 CG ARG A 30 10.470 -18.808 29.162 1.00 60.12 C ATOM 464 CD ARG A 30 10.848 -19.280 27.764 1.00 4.11 C ATOM 465 NE ARG A 30 12.289 -19.244 27.542 1.00 75.30 N ATOM 466 CZ ARG A 30 12.875 -19.693 26.467 1.00 64.35 C ATOM 467 NH1 ARG A 30 12.180 -20.145 25.473 1.00 72.13 N ATOM 468 NH2 ARG A 30 14.161 -19.681 26.383 1.00 11.42 N ATOM 0 H ARG A 30 8.033 -20.305 27.485 1.00 22.12 H new ATOM 0 HA ARG A 30 9.597 -21.188 29.747 1.00 34.12 H new ATOM 0 HB2 ARG A 30 8.360 -18.610 28.818 1.00 11.33 H new ATOM 0 HB3 ARG A 30 8.798 -18.761 30.508 1.00 11.33 H new ATOM 0 HG2 ARG A 30 10.624 -17.731 29.234 1.00 60.12 H new ATOM 0 HG3 ARG A 30 11.131 -19.274 29.892 1.00 60.12 H new ATOM 0 HD2 ARG A 30 10.484 -20.297 27.615 1.00 4.11 H new ATOM 0 HD3 ARG A 30 10.352 -18.652 27.024 1.00 4.11 H new ATOM 0 HE ARG A 30 12.875 -18.842 28.274 1.00 75.30 H new ATOM 0 HH11 ARG A 30 11.161 -20.153 25.525 1.00 72.13 H new ATOM 0 HH12 ARG A 30 12.651 -20.493 24.638 1.00 72.13 H new ATOM 0 HH21 ARG A 30 14.719 -19.321 27.157 1.00 11.42 H new ATOM 0 HH22 ARG A 30 14.620 -20.032 25.543 1.00 11.42 H new ATOM 482 N TYR A 31 6.425 -21.386 29.929 1.00 34.52 N ATOM 483 CA TYR A 31 5.342 -21.946 30.740 1.00 75.03 C ATOM 484 C TYR A 31 5.257 -23.463 30.520 1.00 43.13 C ATOM 485 O TYR A 31 5.788 -23.988 29.541 1.00 74.34 O ATOM 486 CB TYR A 31 3.998 -21.301 30.373 1.00 40.42 C ATOM 487 CG TYR A 31 3.964 -19.788 30.526 1.00 31.51 C ATOM 488 CD1 TYR A 31 3.744 -19.193 31.766 1.00 11.23 C ATOM 489 CD2 TYR A 31 4.136 -18.956 29.424 1.00 14.42 C ATOM 490 CE1 TYR A 31 3.698 -17.817 31.899 1.00 61.15 C ATOM 491 CE2 TYR A 31 4.093 -17.581 29.552 1.00 41.11 C ATOM 492 CZ TYR A 31 3.872 -17.017 30.788 1.00 11.44 C ATOM 493 OH TYR A 31 3.825 -15.646 30.912 1.00 34.02 O ATOM 0 H TYR A 31 6.208 -21.318 28.935 1.00 34.52 H new ATOM 0 HA TYR A 31 5.556 -21.738 31.788 1.00 75.03 H new ATOM 0 HB2 TYR A 31 3.757 -21.555 29.341 1.00 40.42 H new ATOM 0 HB3 TYR A 31 3.218 -21.735 30.999 1.00 40.42 H new ATOM 0 HD1 TYR A 31 3.607 -19.816 32.638 1.00 11.23 H new ATOM 0 HD2 TYR A 31 4.306 -19.393 28.451 1.00 14.42 H new ATOM 0 HE1 TYR A 31 3.527 -17.371 32.868 1.00 61.15 H new ATOM 0 HE2 TYR A 31 4.232 -16.951 28.686 1.00 41.11 H new ATOM 0 HH TYR A 31 3.968 -15.233 30.035 1.00 34.02 H new ATOM 503 N ARG A 32 4.597 -24.169 31.427 1.00 40.33 N ATOM 504 CA ARG A 32 4.392 -25.614 31.276 1.00 55.33 C ATOM 505 C ARG A 32 2.931 -25.924 30.908 1.00 63.14 C ATOM 506 O ARG A 32 2.044 -25.106 31.145 1.00 12.33 O ATOM 507 CB ARG A 32 4.777 -26.346 32.569 1.00 43.11 C ATOM 508 CG ARG A 32 6.265 -26.292 32.891 1.00 40.20 C ATOM 509 CD ARG A 32 6.582 -27.041 34.179 1.00 33.22 C ATOM 510 NE ARG A 32 6.039 -28.399 34.169 1.00 33.24 N ATOM 511 CZ ARG A 32 6.488 -29.378 34.899 1.00 62.20 C ATOM 512 NH1 ARG A 32 7.536 -29.225 35.639 1.00 22.10 N ATOM 513 NH2 ARG A 32 5.901 -30.524 34.863 1.00 71.44 N ATOM 0 H ARG A 32 4.193 -23.772 32.275 1.00 40.33 H new ATOM 0 HA ARG A 32 5.033 -25.965 30.467 1.00 55.33 H new ATOM 0 HB2 ARG A 32 4.220 -25.913 33.400 1.00 43.11 H new ATOM 0 HB3 ARG A 32 4.470 -27.389 32.489 1.00 43.11 H new ATOM 0 HG2 ARG A 32 6.833 -26.725 32.067 1.00 40.20 H new ATOM 0 HG3 ARG A 32 6.581 -25.253 32.985 1.00 40.20 H new ATOM 0 HD2 ARG A 32 7.662 -27.083 34.318 1.00 33.22 H new ATOM 0 HD3 ARG A 32 6.173 -26.493 35.028 1.00 33.22 H new ATOM 0 HE ARG A 32 5.254 -28.592 33.547 1.00 33.24 H new ATOM 0 HH11 ARG A 32 8.022 -28.328 35.656 1.00 22.10 H new ATOM 0 HH12 ARG A 32 7.877 -30.001 36.206 1.00 22.10 H new ATOM 0 HH21 ARG A 32 5.087 -30.662 34.264 1.00 71.44 H new ATOM 0 HH22 ARG A 32 6.250 -31.294 35.434 1.00 71.44 H new ATOM 527 N PRO A 33 2.651 -27.117 30.333 1.00 12.50 N ATOM 528 CA PRO A 33 1.274 -27.532 29.961 1.00 13.44 C ATOM 529 C PRO A 33 0.311 -27.716 31.164 1.00 14.53 C ATOM 530 O PRO A 33 -0.658 -28.475 31.079 1.00 61.30 O ATOM 531 CB PRO A 33 1.489 -28.878 29.237 1.00 53.33 C ATOM 532 CG PRO A 33 2.934 -28.889 28.859 1.00 41.20 C ATOM 533 CD PRO A 33 3.641 -28.142 29.956 1.00 50.53 C ATOM 0 HA PRO A 33 0.792 -26.762 29.359 1.00 13.44 H new ATOM 0 HB2 PRO A 33 1.245 -29.719 29.887 1.00 53.33 H new ATOM 0 HB3 PRO A 33 0.851 -28.959 28.357 1.00 53.33 H new ATOM 0 HG2 PRO A 33 3.310 -29.909 28.773 1.00 41.20 H new ATOM 0 HG3 PRO A 33 3.091 -28.409 27.893 1.00 41.20 H new ATOM 0 HD2 PRO A 33 3.891 -28.792 30.794 1.00 50.53 H new ATOM 0 HD3 PRO A 33 4.573 -27.697 29.609 1.00 50.53 H new ATOM 541 N GLY A 34 0.579 -27.018 32.269 1.00 61.34 N ATOM 542 CA GLY A 34 -0.297 -27.053 33.433 1.00 50.34 C ATOM 543 C GLY A 34 -0.150 -25.804 34.303 1.00 2.33 C ATOM 544 O GLY A 34 -0.270 -25.873 35.528 1.00 25.22 O ATOM 0 H GLY A 34 1.399 -26.421 32.379 1.00 61.34 H new ATOM 0 HA2 GLY A 34 -1.332 -27.145 33.104 1.00 50.34 H new ATOM 0 HA3 GLY A 34 -0.072 -27.938 34.029 1.00 50.34 H new ATOM 548 N ASP A 35 0.121 -24.660 33.665 1.00 65.12 N ATOM 549 CA ASP A 35 0.300 -23.381 34.375 1.00 61.51 C ATOM 550 C ASP A 35 -0.437 -22.225 33.666 1.00 4.11 C ATOM 551 O ASP A 35 -0.803 -22.329 32.492 1.00 72.30 O ATOM 552 CB ASP A 35 1.795 -23.046 34.507 1.00 60.31 C ATOM 553 CG ASP A 35 2.531 -24.019 35.417 1.00 1.12 C ATOM 554 OD1 ASP A 35 2.508 -23.819 36.650 1.00 62.13 O ATOM 555 OD2 ASP A 35 3.130 -24.987 34.910 1.00 10.12 O ATOM 0 H ASP A 35 0.222 -24.590 32.652 1.00 65.12 H new ATOM 0 HA ASP A 35 -0.134 -23.496 35.368 1.00 61.51 H new ATOM 0 HB2 ASP A 35 2.256 -23.058 33.519 1.00 60.31 H new ATOM 0 HB3 ASP A 35 1.904 -22.034 34.898 1.00 60.31 H new ATOM 560 N ILE A 36 -0.646 -21.124 34.391 1.00 41.01 N ATOM 561 CA ILE A 36 -1.335 -19.943 33.848 1.00 75.34 C ATOM 562 C ILE A 36 -0.343 -18.942 33.224 1.00 74.42 C ATOM 563 O ILE A 36 0.778 -18.772 33.705 1.00 4.25 O ATOM 564 CB ILE A 36 -2.160 -19.225 34.954 1.00 14.11 C ATOM 565 CG1 ILE A 36 -3.175 -20.193 35.588 1.00 24.42 C ATOM 566 CG2 ILE A 36 -2.872 -17.992 34.396 1.00 4.45 C ATOM 567 CD1 ILE A 36 -4.205 -20.731 34.616 1.00 75.10 C ATOM 0 H ILE A 36 -0.348 -21.022 35.361 1.00 41.01 H new ATOM 0 HA ILE A 36 -2.007 -20.299 33.067 1.00 75.34 H new ATOM 0 HB ILE A 36 -1.467 -18.894 35.728 1.00 14.11 H new ATOM 0 HG12 ILE A 36 -2.635 -21.031 36.030 1.00 24.42 H new ATOM 0 HG13 ILE A 36 -3.690 -19.681 36.401 1.00 24.42 H new ATOM 0 HG21 ILE A 36 -3.441 -17.510 35.191 1.00 4.45 H new ATOM 0 HG22 ILE A 36 -2.134 -17.293 34.002 1.00 4.45 H new ATOM 0 HG23 ILE A 36 -3.549 -18.293 33.597 1.00 4.45 H new ATOM 0 HD11 ILE A 36 -4.883 -21.405 35.140 1.00 75.10 H new ATOM 0 HD12 ILE A 36 -4.773 -19.903 34.192 1.00 75.10 H new ATOM 0 HD13 ILE A 36 -3.702 -21.273 33.815 1.00 75.10 H new ATOM 579 N VAL A 37 -0.770 -18.283 32.147 1.00 73.31 N ATOM 580 CA VAL A 37 0.053 -17.269 31.476 1.00 31.33 C ATOM 581 C VAL A 37 -0.068 -15.902 32.175 1.00 2.33 C ATOM 582 O VAL A 37 -1.153 -15.521 32.628 1.00 60.21 O ATOM 583 CB VAL A 37 -0.355 -17.123 29.986 1.00 74.04 C ATOM 584 CG1 VAL A 37 0.514 -16.087 29.270 1.00 64.42 C ATOM 585 CG2 VAL A 37 -0.283 -18.473 29.275 1.00 60.13 C ATOM 0 H VAL A 37 -1.683 -18.432 31.717 1.00 73.31 H new ATOM 0 HA VAL A 37 1.089 -17.603 31.533 1.00 31.33 H new ATOM 0 HB VAL A 37 -1.386 -16.770 29.955 1.00 74.04 H new ATOM 0 HG11 VAL A 37 0.203 -16.009 28.228 1.00 64.42 H new ATOM 0 HG12 VAL A 37 0.401 -15.118 29.757 1.00 64.42 H new ATOM 0 HG13 VAL A 37 1.559 -16.395 29.314 1.00 64.42 H new ATOM 0 HG21 VAL A 37 -0.573 -18.350 28.231 1.00 60.13 H new ATOM 0 HG22 VAL A 37 0.736 -18.857 29.326 1.00 60.13 H new ATOM 0 HG23 VAL A 37 -0.961 -19.176 29.759 1.00 60.13 H new ATOM 595 N SER A 38 1.046 -15.168 32.260 1.00 74.32 N ATOM 596 CA SER A 38 1.061 -13.838 32.896 1.00 32.04 C ATOM 597 C SER A 38 0.026 -12.893 32.269 1.00 2.43 C ATOM 598 O SER A 38 -0.211 -12.925 31.060 1.00 13.04 O ATOM 599 CB SER A 38 2.456 -13.202 32.799 1.00 63.41 C ATOM 600 OG SER A 38 3.446 -14.019 33.408 1.00 72.04 O ATOM 0 H SER A 38 1.951 -15.468 31.898 1.00 74.32 H new ATOM 0 HA SER A 38 0.801 -13.986 33.944 1.00 32.04 H new ATOM 0 HB2 SER A 38 2.711 -13.040 31.752 1.00 63.41 H new ATOM 0 HB3 SER A 38 2.445 -12.224 33.279 1.00 63.41 H new ATOM 0 HG SER A 38 3.762 -14.686 32.763 1.00 72.04 H new ATOM 606 N THR A 39 -0.576 -12.038 33.096 1.00 64.23 N ATOM 607 CA THR A 39 -1.642 -11.127 32.648 1.00 31.41 C ATOM 608 C THR A 39 -1.171 -10.189 31.523 1.00 11.31 C ATOM 609 O THR A 39 -1.918 -9.913 30.583 1.00 13.23 O ATOM 610 CB THR A 39 -2.194 -10.293 33.831 1.00 45.22 C ATOM 611 OG1 THR A 39 -2.696 -11.179 34.846 1.00 30.52 O ATOM 612 CG2 THR A 39 -3.308 -9.347 33.383 1.00 61.21 C ATOM 0 H THR A 39 -0.345 -11.954 34.086 1.00 64.23 H new ATOM 0 HA THR A 39 -2.440 -11.753 32.249 1.00 31.41 H new ATOM 0 HB THR A 39 -1.379 -9.688 34.227 1.00 45.22 H new ATOM 0 HG1 THR A 39 -3.044 -10.653 35.596 1.00 30.52 H new ATOM 0 HG21 THR A 39 -3.670 -8.779 34.240 1.00 61.21 H new ATOM 0 HG22 THR A 39 -2.921 -8.660 32.630 1.00 61.21 H new ATOM 0 HG23 THR A 39 -4.128 -9.926 32.959 1.00 61.21 H new ATOM 620 N VAL A 40 0.070 -9.711 31.616 1.00 1.11 N ATOM 621 CA VAL A 40 0.656 -8.879 30.554 1.00 45.24 C ATOM 622 C VAL A 40 0.673 -9.627 29.209 1.00 25.53 C ATOM 623 O VAL A 40 0.141 -9.145 28.205 1.00 23.12 O ATOM 624 CB VAL A 40 2.098 -8.441 30.910 1.00 65.10 C ATOM 625 CG1 VAL A 40 2.683 -7.553 29.810 1.00 21.55 C ATOM 626 CG2 VAL A 40 2.126 -7.727 32.260 1.00 63.31 C ATOM 0 H VAL A 40 0.689 -9.882 32.409 1.00 1.11 H new ATOM 0 HA VAL A 40 0.029 -7.992 30.464 1.00 45.24 H new ATOM 0 HB VAL A 40 2.718 -9.335 30.986 1.00 65.10 H new ATOM 0 HG11 VAL A 40 3.696 -7.257 30.082 1.00 21.55 H new ATOM 0 HG12 VAL A 40 2.706 -8.105 28.870 1.00 21.55 H new ATOM 0 HG13 VAL A 40 2.064 -6.663 29.693 1.00 21.55 H new ATOM 0 HG21 VAL A 40 3.148 -7.427 32.492 1.00 63.31 H new ATOM 0 HG22 VAL A 40 1.489 -6.843 32.217 1.00 63.31 H new ATOM 0 HG23 VAL A 40 1.761 -8.400 33.035 1.00 63.31 H new ATOM 636 N ASP A 41 1.286 -10.807 29.203 1.00 32.33 N ATOM 637 CA ASP A 41 1.293 -11.680 28.024 1.00 14.14 C ATOM 638 C ASP A 41 -0.143 -12.009 27.568 1.00 64.12 C ATOM 639 O ASP A 41 -0.414 -12.141 26.375 1.00 53.13 O ATOM 640 CB ASP A 41 2.052 -12.970 28.347 1.00 1.42 C ATOM 641 CG ASP A 41 3.486 -12.705 28.777 1.00 1.44 C ATOM 642 OD1 ASP A 41 3.686 -12.089 29.845 1.00 23.24 O ATOM 643 OD2 ASP A 41 4.421 -13.129 28.066 1.00 33.01 O ATOM 0 H ASP A 41 1.789 -11.186 30.005 1.00 32.33 H new ATOM 0 HA ASP A 41 1.792 -11.157 27.208 1.00 14.14 H new ATOM 0 HB2 ASP A 41 1.531 -13.506 29.140 1.00 1.42 H new ATOM 0 HB3 ASP A 41 2.052 -13.618 27.470 1.00 1.42 H new ATOM 648 N GLY A 42 -1.052 -12.135 28.534 1.00 71.35 N ATOM 649 CA GLY A 42 -2.458 -12.375 28.232 1.00 71.14 C ATOM 650 C GLY A 42 -3.082 -11.258 27.398 1.00 15.11 C ATOM 651 O GLY A 42 -3.775 -11.523 26.415 1.00 65.42 O ATOM 0 H GLY A 42 -0.838 -12.075 29.530 1.00 71.35 H new ATOM 0 HA2 GLY A 42 -2.554 -13.319 27.696 1.00 71.14 H new ATOM 0 HA3 GLY A 42 -3.013 -12.480 29.164 1.00 71.14 H new ATOM 655 N ALA A 43 -2.827 -10.006 27.789 1.00 32.24 N ATOM 656 CA ALA A 43 -3.311 -8.836 27.042 1.00 71.54 C ATOM 657 C ALA A 43 -2.849 -8.885 25.578 1.00 54.05 C ATOM 658 O ALA A 43 -3.605 -8.550 24.658 1.00 41.32 O ATOM 659 CB ALA A 43 -2.831 -7.549 27.710 1.00 20.23 C ATOM 0 H ALA A 43 -2.286 -9.774 28.622 1.00 32.24 H new ATOM 0 HA ALA A 43 -4.401 -8.853 27.051 1.00 71.54 H new ATOM 0 HB1 ALA A 43 -3.196 -6.689 27.148 1.00 20.23 H new ATOM 0 HB2 ALA A 43 -3.213 -7.504 28.730 1.00 20.23 H new ATOM 0 HB3 ALA A 43 -1.741 -7.534 27.730 1.00 20.23 H new ATOM 665 N PHE A 44 -1.602 -9.309 25.376 1.00 52.02 N ATOM 666 CA PHE A 44 -1.055 -9.529 24.033 1.00 5.11 C ATOM 667 C PHE A 44 -1.877 -10.585 23.276 1.00 61.24 C ATOM 668 O PHE A 44 -2.300 -10.367 22.138 1.00 55.24 O ATOM 669 CB PHE A 44 0.413 -9.975 24.141 1.00 54.53 C ATOM 670 CG PHE A 44 1.071 -10.298 22.819 1.00 71.44 C ATOM 671 CD1 PHE A 44 1.018 -11.584 22.292 1.00 12.50 C ATOM 672 CD2 PHE A 44 1.746 -9.318 22.105 1.00 23.23 C ATOM 673 CE1 PHE A 44 1.620 -11.880 21.087 1.00 64.14 C ATOM 674 CE2 PHE A 44 2.350 -9.614 20.898 1.00 54.12 C ATOM 675 CZ PHE A 44 2.285 -10.895 20.390 1.00 20.24 C ATOM 0 H PHE A 44 -0.945 -9.509 26.130 1.00 52.02 H new ATOM 0 HA PHE A 44 -1.108 -8.594 23.475 1.00 5.11 H new ATOM 0 HB2 PHE A 44 0.983 -9.187 24.633 1.00 54.53 H new ATOM 0 HB3 PHE A 44 0.466 -10.855 24.783 1.00 54.53 H new ATOM 0 HD1 PHE A 44 0.499 -12.361 22.833 1.00 12.50 H new ATOM 0 HD2 PHE A 44 1.800 -8.313 22.497 1.00 23.23 H new ATOM 0 HE1 PHE A 44 1.570 -12.883 20.690 1.00 64.14 H new ATOM 0 HE2 PHE A 44 2.873 -8.843 20.352 1.00 54.12 H new ATOM 0 HZ PHE A 44 2.756 -11.126 19.446 1.00 20.24 H new ATOM 685 N LEU A 45 -2.100 -11.724 23.928 1.00 43.31 N ATOM 686 CA LEU A 45 -2.864 -12.832 23.345 1.00 4.24 C ATOM 687 C LEU A 45 -4.298 -12.412 22.974 1.00 21.43 C ATOM 688 O LEU A 45 -4.847 -12.873 21.974 1.00 4.33 O ATOM 689 CB LEU A 45 -2.894 -14.008 24.326 1.00 71.42 C ATOM 690 CG LEU A 45 -1.523 -14.628 24.647 1.00 34.02 C ATOM 691 CD1 LEU A 45 -1.637 -15.641 25.782 1.00 55.44 C ATOM 692 CD2 LEU A 45 -0.926 -15.278 23.399 1.00 63.15 C ATOM 0 H LEU A 45 -1.759 -11.908 24.872 1.00 43.31 H new ATOM 0 HA LEU A 45 -2.367 -13.133 22.423 1.00 4.24 H new ATOM 0 HB2 LEU A 45 -3.350 -13.672 25.257 1.00 71.42 H new ATOM 0 HB3 LEU A 45 -3.540 -14.785 23.917 1.00 71.42 H new ATOM 0 HG LEU A 45 -0.855 -13.831 24.973 1.00 34.02 H new ATOM 0 HD11 LEU A 45 -0.655 -16.066 25.991 1.00 55.44 H new ATOM 0 HD12 LEU A 45 -2.015 -15.145 26.676 1.00 55.44 H new ATOM 0 HD13 LEU A 45 -2.322 -16.437 25.492 1.00 55.44 H new ATOM 0 HD21 LEU A 45 0.044 -15.712 23.643 1.00 63.15 H new ATOM 0 HD22 LEU A 45 -1.594 -16.061 23.042 1.00 63.15 H new ATOM 0 HD23 LEU A 45 -0.801 -14.525 22.621 1.00 63.15 H new ATOM 704 N VAL A 46 -4.899 -11.540 23.785 1.00 74.45 N ATOM 705 CA VAL A 46 -6.235 -11.003 23.490 1.00 53.00 C ATOM 706 C VAL A 46 -6.257 -10.296 22.121 1.00 12.35 C ATOM 707 O VAL A 46 -7.135 -10.552 21.291 1.00 12.13 O ATOM 708 CB VAL A 46 -6.717 -10.017 24.589 1.00 10.33 C ATOM 709 CG1 VAL A 46 -8.077 -9.416 24.229 1.00 25.12 C ATOM 710 CG2 VAL A 46 -6.779 -10.713 25.947 1.00 61.14 C ATOM 0 H VAL A 46 -4.486 -11.189 24.649 1.00 74.45 H new ATOM 0 HA VAL A 46 -6.917 -11.853 23.467 1.00 53.00 H new ATOM 0 HB VAL A 46 -5.995 -9.203 24.652 1.00 10.33 H new ATOM 0 HG11 VAL A 46 -8.391 -8.729 25.015 1.00 25.12 H new ATOM 0 HG12 VAL A 46 -7.998 -8.876 23.286 1.00 25.12 H new ATOM 0 HG13 VAL A 46 -8.813 -10.214 24.129 1.00 25.12 H new ATOM 0 HG21 VAL A 46 -7.119 -10.005 26.703 1.00 61.14 H new ATOM 0 HG22 VAL A 46 -7.475 -11.551 25.895 1.00 61.14 H new ATOM 0 HG23 VAL A 46 -5.788 -11.080 26.213 1.00 61.14 H new ATOM 720 N GLU A 47 -5.279 -9.420 21.885 1.00 61.43 N ATOM 721 CA GLU A 47 -5.161 -8.729 20.594 1.00 34.11 C ATOM 722 C GLU A 47 -4.791 -9.719 19.478 1.00 21.22 C ATOM 723 O GLU A 47 -5.298 -9.630 18.356 1.00 42.42 O ATOM 724 CB GLU A 47 -4.115 -7.604 20.670 1.00 31.54 C ATOM 725 CG GLU A 47 -4.407 -6.547 21.733 1.00 1.10 C ATOM 726 CD GLU A 47 -5.775 -5.900 21.574 1.00 15.13 C ATOM 727 OE1 GLU A 47 -5.999 -5.198 20.567 1.00 20.12 O ATOM 728 OE2 GLU A 47 -6.636 -6.096 22.458 1.00 70.33 O ATOM 0 H GLU A 47 -4.560 -9.171 22.564 1.00 61.43 H new ATOM 0 HA GLU A 47 -6.130 -8.287 20.361 1.00 34.11 H new ATOM 0 HB2 GLU A 47 -3.138 -8.044 20.871 1.00 31.54 H new ATOM 0 HB3 GLU A 47 -4.051 -7.117 19.697 1.00 31.54 H new ATOM 0 HG2 GLU A 47 -4.341 -7.005 22.720 1.00 1.10 H new ATOM 0 HG3 GLU A 47 -3.639 -5.774 21.689 1.00 1.10 H new ATOM 735 N ALA A 48 -3.913 -10.672 19.802 1.00 34.32 N ATOM 736 CA ALA A 48 -3.528 -11.734 18.863 1.00 2.31 C ATOM 737 C ALA A 48 -4.747 -12.567 18.439 1.00 62.44 C ATOM 738 O ALA A 48 -4.817 -13.069 17.314 1.00 71.51 O ATOM 739 CB ALA A 48 -2.459 -12.633 19.485 1.00 43.43 C ATOM 0 H ALA A 48 -3.453 -10.731 20.710 1.00 34.32 H new ATOM 0 HA ALA A 48 -3.115 -11.262 17.971 1.00 2.31 H new ATOM 0 HB1 ALA A 48 -2.184 -13.415 18.777 1.00 43.43 H new ATOM 0 HB2 ALA A 48 -1.579 -12.037 19.728 1.00 43.43 H new ATOM 0 HB3 ALA A 48 -2.851 -13.088 20.395 1.00 43.43 H new ATOM 745 N LEU A 49 -5.704 -12.709 19.352 1.00 64.23 N ATOM 746 CA LEU A 49 -6.963 -13.400 19.066 1.00 62.02 C ATOM 747 C LEU A 49 -7.871 -12.542 18.172 1.00 45.42 C ATOM 748 O LEU A 49 -8.499 -13.050 17.240 1.00 35.12 O ATOM 749 CB LEU A 49 -7.678 -13.748 20.376 1.00 52.34 C ATOM 750 CG LEU A 49 -9.009 -14.507 20.225 1.00 22.52 C ATOM 751 CD1 LEU A 49 -8.811 -15.815 19.459 1.00 65.40 C ATOM 752 CD2 LEU A 49 -9.629 -14.773 21.595 1.00 70.24 C ATOM 0 H LEU A 49 -5.632 -12.352 20.305 1.00 64.23 H new ATOM 0 HA LEU A 49 -6.736 -14.321 18.529 1.00 62.02 H new ATOM 0 HB2 LEU A 49 -7.005 -14.349 20.988 1.00 52.34 H new ATOM 0 HB3 LEU A 49 -7.867 -12.824 20.923 1.00 52.34 H new ATOM 0 HG LEU A 49 -9.693 -13.883 19.650 1.00 22.52 H new ATOM 0 HD11 LEU A 49 -9.767 -16.331 19.367 1.00 65.40 H new ATOM 0 HD12 LEU A 49 -8.418 -15.599 18.466 1.00 65.40 H new ATOM 0 HD13 LEU A 49 -8.107 -16.449 19.998 1.00 65.40 H new ATOM 0 HD21 LEU A 49 -10.569 -15.310 21.471 1.00 70.24 H new ATOM 0 HD22 LEU A 49 -8.944 -15.374 22.194 1.00 70.24 H new ATOM 0 HD23 LEU A 49 -9.817 -13.825 22.100 1.00 70.24 H new ATOM 764 N LYS A 50 -7.922 -11.239 18.451 1.00 32.32 N ATOM 765 CA LYS A 50 -8.695 -10.291 17.630 1.00 25.20 C ATOM 766 C LYS A 50 -8.201 -10.270 16.177 1.00 54.42 C ATOM 767 O LYS A 50 -8.945 -9.926 15.257 1.00 12.44 O ATOM 768 CB LYS A 50 -8.603 -8.879 18.220 1.00 1.43 C ATOM 769 CG LYS A 50 -9.202 -8.752 19.614 1.00 32.53 C ATOM 770 CD LYS A 50 -9.009 -7.349 20.174 1.00 62.43 C ATOM 771 CE LYS A 50 -9.597 -7.208 21.570 1.00 1.50 C ATOM 772 NZ LYS A 50 -9.342 -5.857 22.134 1.00 22.23 N ATOM 0 H LYS A 50 -7.438 -10.810 19.240 1.00 32.32 H new ATOM 0 HA LYS A 50 -9.733 -10.624 17.635 1.00 25.20 H new ATOM 0 HB2 LYS A 50 -7.556 -8.579 18.257 1.00 1.43 H new ATOM 0 HB3 LYS A 50 -9.111 -8.183 17.552 1.00 1.43 H new ATOM 0 HG2 LYS A 50 -10.265 -8.988 19.578 1.00 32.53 H new ATOM 0 HG3 LYS A 50 -8.736 -9.479 20.280 1.00 32.53 H new ATOM 0 HD2 LYS A 50 -7.945 -7.113 20.203 1.00 62.43 H new ATOM 0 HD3 LYS A 50 -9.478 -6.625 19.508 1.00 62.43 H new ATOM 0 HE2 LYS A 50 -10.671 -7.392 21.534 1.00 1.50 H new ATOM 0 HE3 LYS A 50 -9.166 -7.965 22.226 1.00 1.50 H new ATOM 0 HZ1 LYS A 50 -9.827 -5.766 23.049 1.00 22.23 H new ATOM 0 HZ2 LYS A 50 -8.319 -5.725 22.270 1.00 22.23 H new ATOM 0 HZ3 LYS A 50 -9.701 -5.134 21.478 1.00 22.23 H new ATOM 786 N ARG A 51 -6.935 -10.634 15.980 1.00 24.35 N ATOM 787 CA ARG A 51 -6.358 -10.749 14.635 1.00 73.13 C ATOM 788 C ARG A 51 -7.076 -11.829 13.801 1.00 63.32 C ATOM 789 O ARG A 51 -6.914 -11.894 12.583 1.00 73.32 O ATOM 790 CB ARG A 51 -4.859 -11.074 14.722 1.00 45.30 C ATOM 791 CG ARG A 51 -4.014 -10.038 15.474 1.00 54.30 C ATOM 792 CD ARG A 51 -3.982 -8.675 14.774 1.00 2.43 C ATOM 793 NE ARG A 51 -5.174 -7.866 15.044 1.00 73.12 N ATOM 794 CZ ARG A 51 -5.896 -7.286 14.123 1.00 2.45 C ATOM 795 NH1 ARG A 51 -5.666 -7.509 12.868 1.00 25.31 N ATOM 796 NH2 ARG A 51 -6.870 -6.505 14.462 1.00 42.14 N ATOM 0 H ARG A 51 -6.285 -10.856 16.734 1.00 24.35 H new ATOM 0 HA ARG A 51 -6.493 -9.789 14.137 1.00 73.13 H new ATOM 0 HB2 ARG A 51 -4.740 -12.041 15.210 1.00 45.30 H new ATOM 0 HB3 ARG A 51 -4.465 -11.177 13.711 1.00 45.30 H new ATOM 0 HG2 ARG A 51 -4.411 -9.914 16.481 1.00 54.30 H new ATOM 0 HG3 ARG A 51 -2.995 -10.412 15.577 1.00 54.30 H new ATOM 0 HD2 ARG A 51 -3.097 -8.127 15.097 1.00 2.43 H new ATOM 0 HD3 ARG A 51 -3.888 -8.827 13.699 1.00 2.43 H new ATOM 0 HE ARG A 51 -5.459 -7.748 16.016 1.00 73.12 H new ATOM 0 HH11 ARG A 51 -4.916 -8.142 12.592 1.00 25.31 H new ATOM 0 HH12 ARG A 51 -6.235 -7.051 12.156 1.00 25.31 H new ATOM 0 HH21 ARG A 51 -7.074 -6.342 15.448 1.00 42.14 H new ATOM 0 HH22 ARG A 51 -7.434 -6.052 13.743 1.00 42.14 H new ATOM 810 N HIS A 52 -7.859 -12.680 14.471 1.00 75.22 N ATOM 811 CA HIS A 52 -8.620 -13.747 13.810 1.00 25.33 C ATOM 812 C HIS A 52 -10.102 -13.356 13.645 1.00 22.53 C ATOM 813 O HIS A 52 -10.680 -12.706 14.519 1.00 51.01 O ATOM 814 CB HIS A 52 -8.542 -15.041 14.635 1.00 4.41 C ATOM 815 CG HIS A 52 -7.150 -15.526 14.891 1.00 11.22 C ATOM 816 ND1 HIS A 52 -6.266 -15.207 15.865 1.00 73.13 N flip ATOM 817 CD2 HIS A 52 -6.524 -16.473 14.111 1.00 31.13 C flip ATOM 818 CE1 HIS A 52 -5.139 -15.958 15.653 1.00 5.51 C flip ATOM 819 NE2 HIS A 52 -5.322 -16.713 14.591 1.00 51.35 N flip ATOM 0 H HIS A 52 -7.984 -12.650 15.483 1.00 75.22 H new ATOM 0 HA HIS A 52 -8.181 -13.902 12.824 1.00 25.33 H new ATOM 0 HB2 HIS A 52 -9.039 -14.879 15.591 1.00 4.41 H new ATOM 0 HB3 HIS A 52 -9.097 -15.823 14.116 1.00 4.41 H new ATOM 0 HD2 HIS A 52 -6.953 -16.946 13.240 1.00 31.13 H new ATOM 0 HE1 HIS A 52 -4.246 -15.934 16.259 1.00 5.51 H new ATOM 0 HE2 HIS A 52 -4.647 -17.373 14.205 1.00 51.35 H new ATOM 828 N PRO A 53 -10.745 -13.761 12.535 1.00 61.20 N ATOM 829 CA PRO A 53 -12.194 -13.552 12.343 1.00 53.24 C ATOM 830 C PRO A 53 -13.028 -14.425 13.300 1.00 15.12 C ATOM 831 O PRO A 53 -14.214 -14.176 13.525 1.00 14.41 O ATOM 832 CB PRO A 53 -12.418 -13.969 10.880 1.00 53.45 C ATOM 833 CG PRO A 53 -11.316 -14.930 10.590 1.00 60.33 C ATOM 834 CD PRO A 53 -10.127 -14.444 11.379 1.00 11.33 C ATOM 0 HA PRO A 53 -12.502 -12.528 12.552 1.00 53.24 H new ATOM 0 HB2 PRO A 53 -13.395 -14.434 10.745 1.00 53.45 H new ATOM 0 HB3 PRO A 53 -12.380 -13.108 10.212 1.00 53.45 H new ATOM 0 HG2 PRO A 53 -11.593 -15.942 10.884 1.00 60.33 H new ATOM 0 HG3 PRO A 53 -11.092 -14.958 9.524 1.00 60.33 H new ATOM 0 HD2 PRO A 53 -9.488 -15.269 11.693 1.00 11.33 H new ATOM 0 HD3 PRO A 53 -9.506 -13.765 10.795 1.00 11.33 H new ATOM 842 N ASP A 54 -12.382 -15.440 13.869 1.00 53.13 N ATOM 843 CA ASP A 54 -13.029 -16.371 14.800 1.00 53.41 C ATOM 844 C ASP A 54 -13.170 -15.760 16.209 1.00 64.02 C ATOM 845 O ASP A 54 -13.845 -16.320 17.075 1.00 41.40 O ATOM 846 CB ASP A 54 -12.203 -17.663 14.888 1.00 41.30 C ATOM 847 CG ASP A 54 -11.562 -18.036 13.562 1.00 55.21 C ATOM 848 OD1 ASP A 54 -10.427 -17.580 13.302 1.00 5.23 O ATOM 849 OD2 ASP A 54 -12.183 -18.779 12.775 1.00 3.54 O ATOM 0 H ASP A 54 -11.397 -15.643 13.700 1.00 53.13 H new ATOM 0 HA ASP A 54 -14.028 -16.585 14.421 1.00 53.41 H new ATOM 0 HB2 ASP A 54 -11.426 -17.543 15.642 1.00 41.30 H new ATOM 0 HB3 ASP A 54 -12.845 -18.479 15.220 1.00 41.30 H new ATOM 854 N ALA A 55 -12.530 -14.604 16.421 1.00 44.43 N ATOM 855 CA ALA A 55 -12.458 -13.967 17.747 1.00 43.21 C ATOM 856 C ALA A 55 -13.822 -13.891 18.454 1.00 13.04 C ATOM 857 O ALA A 55 -13.954 -14.327 19.595 1.00 51.34 O ATOM 858 CB ALA A 55 -11.851 -12.575 17.628 1.00 14.34 C ATOM 0 H ALA A 55 -12.050 -14.085 15.686 1.00 44.43 H new ATOM 0 HA ALA A 55 -11.819 -14.598 18.364 1.00 43.21 H new ATOM 0 HB1 ALA A 55 -11.803 -12.114 18.614 1.00 14.34 H new ATOM 0 HB2 ALA A 55 -10.846 -12.651 17.213 1.00 14.34 H new ATOM 0 HB3 ALA A 55 -12.469 -11.963 16.971 1.00 14.34 H new ATOM 864 N THR A 56 -14.836 -13.355 17.770 1.00 15.15 N ATOM 865 CA THR A 56 -16.182 -13.201 18.359 1.00 33.21 C ATOM 866 C THR A 56 -16.701 -14.517 18.970 1.00 31.12 C ATOM 867 O THR A 56 -17.367 -14.515 20.005 1.00 1.23 O ATOM 868 CB THR A 56 -17.210 -12.691 17.317 1.00 21.02 C ATOM 869 OG1 THR A 56 -18.490 -12.489 17.939 1.00 24.11 O ATOM 870 CG2 THR A 56 -17.354 -13.668 16.154 1.00 70.31 C ATOM 0 H THR A 56 -14.758 -13.019 16.810 1.00 15.15 H new ATOM 0 HA THR A 56 -16.077 -12.461 19.152 1.00 33.21 H new ATOM 0 HB THR A 56 -16.842 -11.743 16.925 1.00 21.02 H new ATOM 0 HG1 THR A 56 -19.131 -12.165 17.272 1.00 24.11 H new ATOM 0 HG21 THR A 56 -18.082 -13.281 15.441 1.00 70.31 H new ATOM 0 HG22 THR A 56 -16.390 -13.789 15.659 1.00 70.31 H new ATOM 0 HG23 THR A 56 -17.692 -14.634 16.530 1.00 70.31 H new ATOM 878 N SER A 57 -16.364 -15.637 18.333 1.00 10.01 N ATOM 879 CA SER A 57 -16.797 -16.966 18.794 1.00 43.51 C ATOM 880 C SER A 57 -15.896 -17.488 19.927 1.00 44.45 C ATOM 881 O SER A 57 -16.377 -18.056 20.910 1.00 32.41 O ATOM 882 CB SER A 57 -16.783 -17.958 17.620 1.00 70.15 C ATOM 883 OG SER A 57 -17.115 -19.271 18.040 1.00 4.11 O ATOM 0 H SER A 57 -15.789 -15.656 17.491 1.00 10.01 H new ATOM 0 HA SER A 57 -17.811 -16.873 19.183 1.00 43.51 H new ATOM 0 HB2 SER A 57 -17.490 -17.630 16.858 1.00 70.15 H new ATOM 0 HB3 SER A 57 -15.796 -17.962 17.159 1.00 70.15 H new ATOM 0 HG SER A 57 -17.098 -19.875 17.269 1.00 4.11 H new ATOM 889 N LYS A 58 -14.587 -17.276 19.785 1.00 44.52 N ATOM 890 CA LYS A 58 -13.599 -17.765 20.762 1.00 12.05 C ATOM 891 C LYS A 58 -13.583 -16.921 22.052 1.00 54.43 C ATOM 892 O LYS A 58 -13.118 -17.380 23.095 1.00 41.32 O ATOM 893 CB LYS A 58 -12.198 -17.789 20.122 1.00 64.30 C ATOM 894 CG LYS A 58 -12.104 -18.683 18.886 1.00 15.41 C ATOM 895 CD LYS A 58 -12.487 -20.127 19.207 1.00 11.22 C ATOM 896 CE LYS A 58 -12.370 -21.046 17.996 1.00 33.11 C ATOM 897 NZ LYS A 58 -12.763 -22.444 18.326 1.00 63.52 N ATOM 0 H LYS A 58 -14.180 -16.767 19.001 1.00 44.52 H new ATOM 0 HA LYS A 58 -13.891 -18.776 21.045 1.00 12.05 H new ATOM 0 HB2 LYS A 58 -11.916 -16.773 19.847 1.00 64.30 H new ATOM 0 HB3 LYS A 58 -11.475 -18.131 20.863 1.00 64.30 H new ATOM 0 HG2 LYS A 58 -12.760 -18.297 18.106 1.00 15.41 H new ATOM 0 HG3 LYS A 58 -11.088 -18.654 18.492 1.00 15.41 H new ATOM 0 HD2 LYS A 58 -11.846 -20.500 20.006 1.00 11.22 H new ATOM 0 HD3 LYS A 58 -13.510 -20.153 19.581 1.00 11.22 H new ATOM 0 HE2 LYS A 58 -13.002 -20.670 17.192 1.00 33.11 H new ATOM 0 HE3 LYS A 58 -11.344 -21.034 17.627 1.00 33.11 H new ATOM 0 HZ1 LYS A 58 -12.575 -23.060 17.509 1.00 63.52 H new ATOM 0 HZ2 LYS A 58 -12.212 -22.776 19.144 1.00 63.52 H new ATOM 0 HZ3 LYS A 58 -13.777 -22.475 18.556 1.00 63.52 H new ATOM 911 N ILE A 59 -14.086 -15.689 21.973 1.00 73.45 N ATOM 912 CA ILE A 59 -14.179 -14.810 23.146 1.00 61.24 C ATOM 913 C ILE A 59 -15.538 -14.965 23.849 1.00 42.03 C ATOM 914 O ILE A 59 -15.603 -15.249 25.049 1.00 64.33 O ATOM 915 CB ILE A 59 -13.972 -13.323 22.754 1.00 20.50 C ATOM 916 CG1 ILE A 59 -12.588 -13.126 22.110 1.00 50.14 C ATOM 917 CG2 ILE A 59 -14.135 -12.416 23.974 1.00 71.13 C ATOM 918 CD1 ILE A 59 -12.327 -11.714 21.622 1.00 2.13 C ATOM 0 H ILE A 59 -14.436 -15.274 21.110 1.00 73.45 H new ATOM 0 HA ILE A 59 -13.386 -15.109 23.832 1.00 61.24 H new ATOM 0 HB ILE A 59 -14.733 -13.049 22.024 1.00 20.50 H new ATOM 0 HG12 ILE A 59 -11.820 -13.396 22.835 1.00 50.14 H new ATOM 0 HG13 ILE A 59 -12.489 -13.813 21.270 1.00 50.14 H new ATOM 0 HG21 ILE A 59 -13.986 -11.378 23.678 1.00 71.13 H new ATOM 0 HG22 ILE A 59 -15.137 -12.536 24.385 1.00 71.13 H new ATOM 0 HG23 ILE A 59 -13.398 -12.687 24.730 1.00 71.13 H new ATOM 0 HD11 ILE A 59 -11.331 -11.659 21.182 1.00 2.13 H new ATOM 0 HD12 ILE A 59 -13.071 -11.445 20.872 1.00 2.13 H new ATOM 0 HD13 ILE A 59 -12.391 -11.021 22.461 1.00 2.13 H new ATOM 930 N GLY A 60 -16.621 -14.771 23.092 1.00 51.33 N ATOM 931 CA GLY A 60 -17.965 -14.901 23.646 1.00 44.41 C ATOM 932 C GLY A 60 -18.253 -13.908 24.775 1.00 65.32 C ATOM 933 O GLY A 60 -18.266 -12.694 24.548 1.00 70.20 O ATOM 0 H GLY A 60 -16.592 -14.525 22.102 1.00 51.33 H new ATOM 0 HA2 GLY A 60 -18.695 -14.756 22.849 1.00 44.41 H new ATOM 0 HA3 GLY A 60 -18.099 -15.916 24.021 1.00 44.41 H new ATOM 937 N PRO A 61 -18.481 -14.392 26.016 1.00 32.12 N ATOM 938 CA PRO A 61 -18.769 -13.519 27.171 1.00 22.02 C ATOM 939 C PRO A 61 -17.549 -12.690 27.620 1.00 51.32 C ATOM 940 O PRO A 61 -17.698 -11.637 28.247 1.00 60.34 O ATOM 941 CB PRO A 61 -19.179 -14.513 28.268 1.00 60.02 C ATOM 942 CG PRO A 61 -18.494 -15.785 27.896 1.00 62.40 C ATOM 943 CD PRO A 61 -18.480 -15.821 26.391 1.00 13.42 C ATOM 0 HA PRO A 61 -19.531 -12.777 26.935 1.00 22.02 H new ATOM 0 HB2 PRO A 61 -18.866 -14.168 29.253 1.00 60.02 H new ATOM 0 HB3 PRO A 61 -20.261 -14.641 28.303 1.00 60.02 H new ATOM 0 HG2 PRO A 61 -17.481 -15.815 28.297 1.00 62.40 H new ATOM 0 HG3 PRO A 61 -19.023 -16.647 28.302 1.00 62.40 H new ATOM 0 HD2 PRO A 61 -17.599 -16.336 26.009 1.00 13.42 H new ATOM 0 HD3 PRO A 61 -19.351 -16.342 25.993 1.00 13.42 H new ATOM 951 N GLY A 62 -16.346 -13.165 27.295 1.00 51.41 N ATOM 952 CA GLY A 62 -15.128 -12.463 27.692 1.00 54.43 C ATOM 953 C GLY A 62 -13.974 -13.403 28.026 1.00 15.45 C ATOM 954 O GLY A 62 -14.167 -14.611 28.183 1.00 40.01 O ATOM 0 H GLY A 62 -16.191 -14.022 26.765 1.00 51.41 H new ATOM 0 HA2 GLY A 62 -14.822 -11.795 26.887 1.00 54.43 H new ATOM 0 HA3 GLY A 62 -15.342 -11.839 28.560 1.00 54.43 H new ATOM 958 N VAL A 63 -12.769 -12.848 28.145 1.00 45.31 N ATOM 959 CA VAL A 63 -11.571 -13.638 28.457 1.00 41.03 C ATOM 960 C VAL A 63 -11.184 -13.501 29.940 1.00 53.23 C ATOM 961 O VAL A 63 -10.881 -12.406 30.419 1.00 53.31 O ATOM 962 CB VAL A 63 -10.369 -13.206 27.577 1.00 54.22 C ATOM 963 CG1 VAL A 63 -9.132 -14.051 27.885 1.00 55.41 C ATOM 964 CG2 VAL A 63 -10.725 -13.287 26.092 1.00 60.23 C ATOM 0 H VAL A 63 -12.592 -11.850 28.030 1.00 45.31 H new ATOM 0 HA VAL A 63 -11.813 -14.679 28.245 1.00 41.03 H new ATOM 0 HB VAL A 63 -10.135 -12.168 27.815 1.00 54.22 H new ATOM 0 HG11 VAL A 63 -8.304 -13.727 27.254 1.00 55.41 H new ATOM 0 HG12 VAL A 63 -8.859 -13.928 28.933 1.00 55.41 H new ATOM 0 HG13 VAL A 63 -9.350 -15.101 27.687 1.00 55.41 H new ATOM 0 HG21 VAL A 63 -9.867 -12.979 25.495 1.00 60.23 H new ATOM 0 HG22 VAL A 63 -10.995 -14.312 25.838 1.00 60.23 H new ATOM 0 HG23 VAL A 63 -11.567 -12.627 25.883 1.00 60.23 H new ATOM 974 N ARG A 64 -11.192 -14.619 30.659 1.00 65.41 N ATOM 975 CA ARG A 64 -10.842 -14.637 32.085 1.00 40.45 C ATOM 976 C ARG A 64 -9.321 -14.774 32.283 1.00 62.13 C ATOM 977 O ARG A 64 -8.719 -14.054 33.084 1.00 65.13 O ATOM 978 CB ARG A 64 -11.574 -15.794 32.776 1.00 62.42 C ATOM 979 CG ARG A 64 -11.302 -15.909 34.272 1.00 23.14 C ATOM 980 CD ARG A 64 -12.019 -17.110 34.873 1.00 1.05 C ATOM 981 NE ARG A 64 -11.737 -17.262 36.295 1.00 31.41 N ATOM 982 CZ ARG A 64 -12.001 -18.340 36.980 1.00 72.24 C ATOM 983 NH1 ARG A 64 -12.502 -19.383 36.399 1.00 14.34 N ATOM 984 NH2 ARG A 64 -11.739 -18.383 38.244 1.00 20.44 N ATOM 0 H ARG A 64 -11.438 -15.533 30.279 1.00 65.41 H new ATOM 0 HA ARG A 64 -11.151 -13.692 32.531 1.00 40.45 H new ATOM 0 HB2 ARG A 64 -12.646 -15.672 32.623 1.00 62.42 H new ATOM 0 HB3 ARG A 64 -11.287 -16.729 32.294 1.00 62.42 H new ATOM 0 HG2 ARG A 64 -10.229 -16.000 34.443 1.00 23.14 H new ATOM 0 HG3 ARG A 64 -11.629 -14.999 34.774 1.00 23.14 H new ATOM 0 HD2 ARG A 64 -13.094 -17.001 34.727 1.00 1.05 H new ATOM 0 HD3 ARG A 64 -11.716 -18.014 34.345 1.00 1.05 H new ATOM 0 HE ARG A 64 -11.307 -16.477 36.784 1.00 31.41 H new ATOM 0 HH11 ARG A 64 -12.693 -19.366 35.397 1.00 14.34 H new ATOM 0 HH12 ARG A 64 -12.705 -20.222 36.943 1.00 14.34 H new ATOM 0 HH21 ARG A 64 -11.325 -17.574 38.707 1.00 20.44 H new ATOM 0 HH22 ARG A 64 -11.946 -19.226 38.779 1.00 20.44 H new ATOM 998 N ASN A 65 -8.714 -15.715 31.557 1.00 12.24 N ATOM 999 CA ASN A 65 -7.262 -15.934 31.610 1.00 64.33 C ATOM 1000 C ASN A 65 -6.808 -16.909 30.512 1.00 43.14 C ATOM 1001 O ASN A 65 -7.623 -17.448 29.765 1.00 14.03 O ATOM 1002 CB ASN A 65 -6.841 -16.463 32.993 1.00 11.34 C ATOM 1003 CG ASN A 65 -7.507 -17.782 33.354 1.00 43.33 C ATOM 1004 OD1 ASN A 65 -8.605 -17.810 33.899 1.00 72.25 O ATOM 1005 ND2 ASN A 65 -6.846 -18.886 33.067 1.00 52.14 N ATOM 0 H ASN A 65 -9.206 -16.342 30.921 1.00 12.24 H new ATOM 0 HA ASN A 65 -6.776 -14.973 31.439 1.00 64.33 H new ATOM 0 HB2 ASN A 65 -5.759 -16.592 33.012 1.00 11.34 H new ATOM 0 HB3 ASN A 65 -7.087 -15.719 33.751 1.00 11.34 H new ATOM 0 HD21 ASN A 65 -7.246 -19.795 33.299 1.00 52.14 H new ATOM 0 HD22 ASN A 65 -5.934 -18.831 32.613 1.00 52.14 H new ATOM 1012 N PHE A 66 -5.499 -17.125 30.418 1.00 33.35 N ATOM 1013 CA PHE A 66 -4.937 -18.089 29.463 1.00 12.24 C ATOM 1014 C PHE A 66 -4.161 -19.189 30.197 1.00 62.00 C ATOM 1015 O PHE A 66 -3.351 -18.905 31.078 1.00 71.31 O ATOM 1016 CB PHE A 66 -4.017 -17.386 28.454 1.00 14.53 C ATOM 1017 CG PHE A 66 -4.742 -16.483 27.484 1.00 32.23 C ATOM 1018 CD1 PHE A 66 -5.041 -15.170 27.822 1.00 2.40 C ATOM 1019 CD2 PHE A 66 -5.119 -16.949 26.230 1.00 43.24 C ATOM 1020 CE1 PHE A 66 -5.701 -14.344 26.932 1.00 12.43 C ATOM 1021 CE2 PHE A 66 -5.779 -16.124 25.339 1.00 54.40 C ATOM 1022 CZ PHE A 66 -6.070 -14.822 25.690 1.00 5.32 C ATOM 0 H PHE A 66 -4.803 -16.647 30.990 1.00 33.35 H new ATOM 0 HA PHE A 66 -5.766 -18.544 28.921 1.00 12.24 H new ATOM 0 HB2 PHE A 66 -3.279 -16.798 29.000 1.00 14.53 H new ATOM 0 HB3 PHE A 66 -3.469 -18.141 27.891 1.00 14.53 H new ATOM 0 HD1 PHE A 66 -4.755 -14.790 28.791 1.00 2.40 H new ATOM 0 HD2 PHE A 66 -4.894 -17.967 25.949 1.00 43.24 H new ATOM 0 HE1 PHE A 66 -5.928 -13.325 27.208 1.00 12.43 H new ATOM 0 HE2 PHE A 66 -6.067 -16.499 24.368 1.00 54.40 H new ATOM 0 HZ PHE A 66 -6.586 -14.177 24.994 1.00 5.32 H new ATOM 1032 N GLU A 67 -4.423 -20.440 29.834 1.00 22.31 N ATOM 1033 CA GLU A 67 -3.738 -21.591 30.438 1.00 65.42 C ATOM 1034 C GLU A 67 -3.016 -22.410 29.359 1.00 2.32 C ATOM 1035 O GLU A 67 -3.540 -22.605 28.264 1.00 54.42 O ATOM 1036 CB GLU A 67 -4.751 -22.466 31.196 1.00 72.24 C ATOM 1037 CG GLU A 67 -4.135 -23.636 31.957 1.00 2.44 C ATOM 1038 CD GLU A 67 -5.160 -24.389 32.796 1.00 32.41 C ATOM 1039 OE1 GLU A 67 -5.382 -24.004 33.964 1.00 31.11 O ATOM 1040 OE2 GLU A 67 -5.755 -25.367 32.293 1.00 1.22 O ATOM 0 H GLU A 67 -5.108 -20.690 29.121 1.00 22.31 H new ATOM 0 HA GLU A 67 -2.993 -21.228 31.146 1.00 65.42 H new ATOM 0 HB2 GLU A 67 -5.298 -21.839 31.900 1.00 72.24 H new ATOM 0 HB3 GLU A 67 -5.479 -22.855 30.484 1.00 72.24 H new ATOM 0 HG2 GLU A 67 -3.674 -24.324 31.248 1.00 2.44 H new ATOM 0 HG3 GLU A 67 -3.341 -23.266 32.605 1.00 2.44 H new ATOM 1047 N VAL A 68 -1.809 -22.869 29.659 1.00 30.34 N ATOM 1048 CA VAL A 68 -1.013 -23.617 28.685 1.00 32.52 C ATOM 1049 C VAL A 68 -1.321 -25.118 28.738 1.00 54.51 C ATOM 1050 O VAL A 68 -1.411 -25.705 29.814 1.00 62.44 O ATOM 1051 CB VAL A 68 0.501 -23.400 28.916 1.00 75.21 C ATOM 1052 CG1 VAL A 68 1.330 -24.192 27.906 1.00 13.41 C ATOM 1053 CG2 VAL A 68 0.839 -21.912 28.856 1.00 71.32 C ATOM 0 H VAL A 68 -1.357 -22.739 30.564 1.00 30.34 H new ATOM 0 HA VAL A 68 -1.284 -23.237 27.700 1.00 32.52 H new ATOM 0 HB VAL A 68 0.752 -23.769 29.910 1.00 75.21 H new ATOM 0 HG11 VAL A 68 2.390 -24.021 28.092 1.00 13.41 H new ATOM 0 HG12 VAL A 68 1.111 -25.255 28.009 1.00 13.41 H new ATOM 0 HG13 VAL A 68 1.081 -23.866 26.896 1.00 13.41 H new ATOM 0 HG21 VAL A 68 1.908 -21.775 29.020 1.00 71.32 H new ATOM 0 HG22 VAL A 68 0.569 -21.517 27.877 1.00 71.32 H new ATOM 0 HG23 VAL A 68 0.282 -21.381 29.628 1.00 71.32 H new ATOM 1063 N ARG A 69 -1.491 -25.731 27.568 1.00 1.12 N ATOM 1064 CA ARG A 69 -1.711 -27.178 27.476 1.00 63.31 C ATOM 1065 C ARG A 69 -0.975 -27.752 26.249 1.00 33.52 C ATOM 1066 O ARG A 69 -0.250 -27.031 25.562 1.00 11.23 O ATOM 1067 CB ARG A 69 -3.221 -27.480 27.410 1.00 73.24 C ATOM 1068 CG ARG A 69 -3.635 -28.754 28.143 1.00 30.32 C ATOM 1069 CD ARG A 69 -5.146 -28.989 28.085 1.00 33.12 C ATOM 1070 NE ARG A 69 -5.929 -27.809 28.470 1.00 13.55 N ATOM 1071 CZ ARG A 69 -5.879 -27.217 29.639 1.00 13.04 C ATOM 1072 NH1 ARG A 69 -5.092 -27.635 30.579 1.00 72.25 N ATOM 1073 NH2 ARG A 69 -6.638 -26.201 29.866 1.00 62.13 N ATOM 0 H ARG A 69 -1.481 -25.250 26.669 1.00 1.12 H new ATOM 0 HA ARG A 69 -1.307 -27.658 28.367 1.00 63.31 H new ATOM 0 HB2 ARG A 69 -3.768 -26.637 27.832 1.00 73.24 H new ATOM 0 HB3 ARG A 69 -3.519 -27.562 26.365 1.00 73.24 H new ATOM 0 HG2 ARG A 69 -3.119 -29.608 27.704 1.00 30.32 H new ATOM 0 HG3 ARG A 69 -3.318 -28.691 29.184 1.00 30.32 H new ATOM 0 HD2 ARG A 69 -5.422 -29.286 27.073 1.00 33.12 H new ATOM 0 HD3 ARG A 69 -5.404 -29.819 28.743 1.00 33.12 H new ATOM 0 HE ARG A 69 -6.563 -27.418 27.773 1.00 13.55 H new ATOM 0 HH11 ARG A 69 -4.491 -28.444 30.419 1.00 72.25 H new ATOM 0 HH12 ARG A 69 -5.073 -27.156 31.479 1.00 72.25 H new ATOM 0 HH21 ARG A 69 -7.270 -25.864 29.140 1.00 62.13 H new ATOM 0 HH22 ARG A 69 -6.607 -25.733 30.772 1.00 62.13 H new ATOM 1087 N SER A 70 -1.161 -29.042 25.976 1.00 60.31 N ATOM 1088 CA SER A 70 -0.459 -29.714 24.871 1.00 0.33 C ATOM 1089 C SER A 70 -1.050 -29.352 23.499 1.00 63.30 C ATOM 1090 O SER A 70 -2.132 -28.767 23.402 1.00 21.23 O ATOM 1091 CB SER A 70 -0.510 -31.236 25.066 1.00 12.20 C ATOM 1092 OG SER A 70 -1.850 -31.698 25.136 1.00 2.10 O ATOM 0 H SER A 70 -1.791 -29.648 26.502 1.00 60.31 H new ATOM 0 HA SER A 70 0.575 -29.368 24.888 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.005 -31.729 24.241 1.00 12.20 H new ATOM 0 HB3 SER A 70 0.019 -31.507 25.980 1.00 12.20 H new ATOM 0 HG SER A 70 -1.855 -32.670 25.259 1.00 2.10 H new ATOM 1162 N GLN A 76 3.155 -27.345 22.794 1.00 13.45 N ATOM 1163 CA GLN A 76 2.201 -26.613 23.643 1.00 71.00 C ATOM 1164 C GLN A 76 1.275 -25.698 22.817 1.00 31.41 C ATOM 1165 O GLN A 76 1.511 -25.463 21.632 1.00 41.33 O ATOM 1166 CB GLN A 76 2.980 -25.756 24.653 1.00 11.33 C ATOM 1167 CG GLN A 76 3.920 -26.544 25.561 1.00 14.53 C ATOM 1168 CD GLN A 76 4.948 -25.656 26.241 1.00 21.41 C ATOM 1169 OE1 GLN A 76 6.050 -25.463 25.739 1.00 33.34 O ATOM 1170 NE2 GLN A 76 4.588 -25.085 27.368 1.00 64.00 N ATOM 0 HA GLN A 76 1.578 -27.347 24.154 1.00 71.00 H new ATOM 0 HB2 GLN A 76 3.561 -25.013 24.107 1.00 11.33 H new ATOM 0 HB3 GLN A 76 2.268 -25.211 25.273 1.00 11.33 H new ATOM 0 HG2 GLN A 76 3.336 -27.065 26.319 1.00 14.53 H new ATOM 0 HG3 GLN A 76 4.433 -27.306 24.974 1.00 14.53 H new ATOM 0 HE21 GLN A 76 3.664 -25.267 27.759 1.00 64.00 H new ATOM 0 HE22 GLN A 76 5.233 -24.460 27.852 1.00 64.00 H new ATOM 1179 N CYS A 77 0.227 -25.184 23.466 1.00 71.02 N ATOM 1180 CA CYS A 77 -0.678 -24.184 22.866 1.00 60.21 C ATOM 1181 C CYS A 77 -1.337 -23.315 23.947 1.00 41.02 C ATOM 1182 O CYS A 77 -1.487 -23.741 25.094 1.00 61.20 O ATOM 1183 CB CYS A 77 -1.773 -24.854 22.014 1.00 64.43 C ATOM 1184 SG CYS A 77 -1.244 -25.339 20.354 1.00 72.21 S ATOM 0 H CYS A 77 -0.023 -25.445 24.420 1.00 71.02 H new ATOM 0 HA CYS A 77 -0.068 -23.552 22.221 1.00 60.21 H new ATOM 0 HB2 CYS A 77 -2.133 -25.739 22.539 1.00 64.43 H new ATOM 0 HB3 CYS A 77 -2.617 -24.169 21.927 1.00 64.43 H new ATOM 0 HG CYS A 77 0.040 -25.540 20.349 1.00 72.21 H new ATOM 1190 N PHE A 78 -1.724 -22.094 23.574 1.00 41.52 N ATOM 1191 CA PHE A 78 -2.440 -21.192 24.485 1.00 64.33 C ATOM 1192 C PHE A 78 -3.943 -21.512 24.516 1.00 63.23 C ATOM 1193 O PHE A 78 -4.624 -21.441 23.489 1.00 3.31 O ATOM 1194 CB PHE A 78 -2.250 -19.729 24.058 1.00 14.50 C ATOM 1195 CG PHE A 78 -0.826 -19.232 24.132 1.00 70.24 C ATOM 1196 CD1 PHE A 78 -0.279 -18.833 25.344 1.00 1.13 C ATOM 1197 CD2 PHE A 78 -0.039 -19.153 22.990 1.00 60.24 C ATOM 1198 CE1 PHE A 78 1.021 -18.368 25.416 1.00 32.30 C ATOM 1199 CE2 PHE A 78 1.261 -18.689 23.058 1.00 74.45 C ATOM 1200 CZ PHE A 78 1.791 -18.295 24.272 1.00 34.15 C ATOM 0 H PHE A 78 -1.555 -21.704 22.647 1.00 41.52 H new ATOM 0 HA PHE A 78 -2.024 -21.340 25.482 1.00 64.33 H new ATOM 0 HB2 PHE A 78 -2.609 -19.613 23.035 1.00 14.50 H new ATOM 0 HB3 PHE A 78 -2.875 -19.096 24.688 1.00 14.50 H new ATOM 0 HD1 PHE A 78 -0.877 -18.887 26.242 1.00 1.13 H new ATOM 0 HD2 PHE A 78 -0.448 -19.458 22.038 1.00 60.24 H new ATOM 0 HE1 PHE A 78 1.434 -18.062 26.366 1.00 32.30 H new ATOM 0 HE2 PHE A 78 1.863 -18.634 22.163 1.00 74.45 H new ATOM 0 HZ PHE A 78 2.806 -17.930 24.326 1.00 34.15 H new ATOM 1210 N TRP A 79 -4.458 -21.861 25.691 1.00 21.44 N ATOM 1211 CA TRP A 79 -5.889 -22.129 25.857 1.00 64.20 C ATOM 1212 C TRP A 79 -6.618 -20.939 26.506 1.00 60.23 C ATOM 1213 O TRP A 79 -6.226 -20.441 27.565 1.00 74.21 O ATOM 1214 CB TRP A 79 -6.105 -23.413 26.671 1.00 53.43 C ATOM 1215 CG TRP A 79 -5.762 -24.661 25.908 1.00 53.43 C ATOM 1216 CD1 TRP A 79 -4.518 -25.084 25.539 1.00 42.12 C ATOM 1217 CD2 TRP A 79 -6.682 -25.641 25.412 1.00 2.03 C ATOM 1218 NE1 TRP A 79 -4.609 -26.271 24.850 1.00 55.34 N ATOM 1219 CE2 TRP A 79 -5.927 -26.632 24.760 1.00 61.34 C ATOM 1220 CE3 TRP A 79 -8.071 -25.775 25.460 1.00 14.11 C ATOM 1221 CZ2 TRP A 79 -6.515 -27.743 24.162 1.00 50.10 C ATOM 1222 CZ3 TRP A 79 -8.654 -26.877 24.866 1.00 12.20 C ATOM 1223 CH2 TRP A 79 -7.877 -27.849 24.224 1.00 22.12 C ATOM 0 H TRP A 79 -3.909 -21.966 26.544 1.00 21.44 H new ATOM 0 HA TRP A 79 -6.318 -22.271 24.865 1.00 64.20 H new ATOM 0 HB2 TRP A 79 -5.498 -23.369 27.575 1.00 53.43 H new ATOM 0 HB3 TRP A 79 -7.146 -23.464 26.989 1.00 53.43 H new ATOM 0 HD1 TRP A 79 -3.597 -24.563 25.756 1.00 42.12 H new ATOM 0 HE1 TRP A 79 -3.823 -26.797 24.468 1.00 55.34 H new ATOM 0 HE3 TRP A 79 -8.678 -25.030 25.953 1.00 14.11 H new ATOM 0 HZ2 TRP A 79 -5.917 -28.494 23.667 1.00 50.10 H new ATOM 0 HZ3 TRP A 79 -9.728 -26.991 24.897 1.00 12.20 H new ATOM 0 HH2 TRP A 79 -8.363 -28.699 23.769 1.00 22.12 H new ATOM 1234 N ILE A 80 -7.685 -20.495 25.849 1.00 44.51 N ATOM 1235 CA ILE A 80 -8.467 -19.339 26.287 1.00 63.35 C ATOM 1236 C ILE A 80 -9.511 -19.722 27.349 1.00 12.02 C ATOM 1237 O ILE A 80 -10.548 -20.313 27.033 1.00 53.20 O ATOM 1238 CB ILE A 80 -9.202 -18.693 25.084 1.00 24.32 C ATOM 1239 CG1 ILE A 80 -8.230 -18.471 23.913 1.00 51.45 C ATOM 1240 CG2 ILE A 80 -9.863 -17.376 25.500 1.00 31.21 C ATOM 1241 CD1 ILE A 80 -8.907 -18.016 22.638 1.00 11.32 C ATOM 0 H ILE A 80 -8.035 -20.927 24.994 1.00 44.51 H new ATOM 0 HA ILE A 80 -7.764 -18.631 26.724 1.00 63.35 H new ATOM 0 HB ILE A 80 -9.985 -19.375 24.752 1.00 24.32 H new ATOM 0 HG12 ILE A 80 -7.487 -17.728 24.205 1.00 51.45 H new ATOM 0 HG13 ILE A 80 -7.693 -19.399 23.717 1.00 51.45 H new ATOM 0 HG21 ILE A 80 -10.373 -16.938 24.642 1.00 31.21 H new ATOM 0 HG22 ILE A 80 -10.585 -17.566 26.294 1.00 31.21 H new ATOM 0 HG23 ILE A 80 -9.101 -16.685 25.861 1.00 31.21 H new ATOM 0 HD11 ILE A 80 -8.159 -17.880 21.857 1.00 11.32 H new ATOM 0 HD12 ILE A 80 -9.630 -18.768 22.321 1.00 11.32 H new ATOM 0 HD13 ILE A 80 -9.421 -17.071 22.816 1.00 11.32 H new ATOM 1253 N LEU A 81 -9.232 -19.401 28.606 1.00 41.44 N ATOM 1254 CA LEU A 81 -10.215 -19.585 29.676 1.00 21.31 C ATOM 1255 C LEU A 81 -11.222 -18.432 29.670 1.00 13.50 C ATOM 1256 O LEU A 81 -10.910 -17.312 30.081 1.00 2.14 O ATOM 1257 CB LEU A 81 -9.528 -19.699 31.049 1.00 71.43 C ATOM 1258 CG LEU A 81 -8.963 -21.089 31.391 1.00 74.51 C ATOM 1259 CD1 LEU A 81 -10.096 -22.097 31.577 1.00 75.43 C ATOM 1260 CD2 LEU A 81 -7.984 -21.563 30.318 1.00 60.22 C ATOM 0 H LEU A 81 -8.340 -19.014 28.913 1.00 41.44 H new ATOM 0 HA LEU A 81 -10.748 -20.518 29.494 1.00 21.31 H new ATOM 0 HB2 LEU A 81 -8.715 -18.975 31.091 1.00 71.43 H new ATOM 0 HB3 LEU A 81 -10.245 -19.417 31.820 1.00 71.43 H new ATOM 0 HG LEU A 81 -8.415 -21.011 32.330 1.00 74.51 H new ATOM 0 HD11 LEU A 81 -9.678 -23.074 31.818 1.00 75.43 H new ATOM 0 HD12 LEU A 81 -10.745 -21.769 32.389 1.00 75.43 H new ATOM 0 HD13 LEU A 81 -10.675 -22.168 30.656 1.00 75.43 H new ATOM 0 HD21 LEU A 81 -7.600 -22.548 30.585 1.00 60.22 H new ATOM 0 HD22 LEU A 81 -8.497 -21.622 29.358 1.00 60.22 H new ATOM 0 HD23 LEU A 81 -7.156 -20.858 30.244 1.00 60.22 H new ATOM 1272 N ARG A 82 -12.423 -18.712 29.183 1.00 65.01 N ATOM 1273 CA ARG A 82 -13.459 -17.688 29.030 1.00 51.00 C ATOM 1274 C ARG A 82 -14.200 -17.427 30.348 1.00 44.33 C ATOM 1275 O ARG A 82 -14.322 -18.314 31.192 1.00 24.32 O ATOM 1276 CB ARG A 82 -14.442 -18.117 27.931 1.00 0.24 C ATOM 1277 CG ARG A 82 -13.863 -17.998 26.520 1.00 14.32 C ATOM 1278 CD ARG A 82 -14.700 -18.742 25.485 1.00 13.34 C ATOM 1279 NE ARG A 82 -14.584 -20.192 25.631 1.00 13.32 N ATOM 1280 CZ ARG A 82 -15.379 -21.054 25.059 1.00 62.54 C ATOM 1281 NH1 ARG A 82 -16.365 -20.658 24.319 1.00 71.14 N ATOM 1282 NH2 ARG A 82 -15.183 -22.320 25.220 1.00 54.21 N ATOM 0 H ARG A 82 -12.709 -19.644 28.884 1.00 65.01 H new ATOM 0 HA ARG A 82 -12.978 -16.753 28.743 1.00 51.00 H new ATOM 0 HB2 ARG A 82 -14.744 -19.150 28.106 1.00 0.24 H new ATOM 0 HB3 ARG A 82 -15.342 -17.506 28.000 1.00 0.24 H new ATOM 0 HG2 ARG A 82 -13.799 -16.946 26.244 1.00 14.32 H new ATOM 0 HG3 ARG A 82 -12.847 -18.392 26.513 1.00 14.32 H new ATOM 0 HD2 ARG A 82 -15.745 -18.449 25.585 1.00 13.34 H new ATOM 0 HD3 ARG A 82 -14.382 -18.451 24.484 1.00 13.34 H new ATOM 0 HE ARG A 82 -13.832 -20.553 26.218 1.00 13.32 H new ATOM 0 HH11 ARG A 82 -16.528 -19.661 24.177 1.00 71.14 H new ATOM 0 HH12 ARG A 82 -16.979 -21.343 23.878 1.00 71.14 H new ATOM 0 HH21 ARG A 82 -14.406 -22.647 25.795 1.00 54.21 H new ATOM 0 HH22 ARG A 82 -15.805 -22.993 24.773 1.00 54.21 H new ATOM 1296 N THR A 83 -14.701 -16.201 30.511 1.00 24.33 N ATOM 1297 CA THR A 83 -15.444 -15.808 31.723 1.00 22.50 C ATOM 1298 C THR A 83 -16.689 -16.680 31.934 1.00 70.04 C ATOM 1299 O THR A 83 -17.266 -16.711 33.024 1.00 43.11 O ATOM 1300 CB THR A 83 -15.876 -14.327 31.662 1.00 31.00 C ATOM 1301 OG1 THR A 83 -16.684 -14.102 30.499 1.00 51.42 O ATOM 1302 CG2 THR A 83 -14.664 -13.398 31.630 1.00 62.22 C ATOM 0 H THR A 83 -14.608 -15.457 29.820 1.00 24.33 H new ATOM 0 HA THR A 83 -14.763 -15.952 32.562 1.00 22.50 H new ATOM 0 HB THR A 83 -16.454 -14.107 32.560 1.00 31.00 H new ATOM 0 HG1 THR A 83 -16.956 -13.161 30.467 1.00 51.42 H new ATOM 0 HG21 THR A 83 -15.001 -12.362 31.587 1.00 62.22 H new ATOM 0 HG22 THR A 83 -14.066 -13.548 32.529 1.00 62.22 H new ATOM 0 HG23 THR A 83 -14.059 -13.620 30.751 1.00 62.22 H new ATOM 1310 N ASP A 84 -17.112 -17.360 30.872 1.00 23.30 N ATOM 1311 CA ASP A 84 -18.167 -18.374 30.951 1.00 4.13 C ATOM 1312 C ASP A 84 -17.836 -19.443 32.006 1.00 11.44 C ATOM 1313 O ASP A 84 -18.709 -19.899 32.747 1.00 72.33 O ATOM 1314 CB ASP A 84 -18.339 -19.026 29.572 1.00 14.23 C ATOM 1315 CG ASP A 84 -19.165 -20.300 29.615 1.00 2.42 C ATOM 1316 OD1 ASP A 84 -20.407 -20.217 29.534 1.00 21.14 O ATOM 1317 OD2 ASP A 84 -18.573 -21.397 29.715 1.00 25.21 O ATOM 0 H ASP A 84 -16.736 -17.226 29.933 1.00 23.30 H new ATOM 0 HA ASP A 84 -19.097 -17.891 31.252 1.00 4.13 H new ATOM 0 HB2 ASP A 84 -18.814 -18.314 28.897 1.00 14.23 H new ATOM 0 HB3 ASP A 84 -17.356 -19.251 29.158 1.00 14.23 H new ATOM 1322 N GLY A 85 -16.563 -19.825 32.062 1.00 22.55 N ATOM 1323 CA GLY A 85 -16.120 -20.895 32.946 1.00 31.31 C ATOM 1324 C GLY A 85 -15.325 -21.964 32.204 1.00 41.31 C ATOM 1325 O GLY A 85 -14.388 -22.546 32.750 1.00 0.11 O ATOM 0 H GLY A 85 -15.819 -19.407 31.503 1.00 22.55 H new ATOM 0 HA2 GLY A 85 -15.505 -20.475 33.742 1.00 31.31 H new ATOM 0 HA3 GLY A 85 -16.987 -21.354 33.421 1.00 31.31 H new ATOM 1329 N SER A 86 -15.699 -22.215 30.950 1.00 75.23 N ATOM 1330 CA SER A 86 -15.019 -23.223 30.121 1.00 45.45 C ATOM 1331 C SER A 86 -13.829 -22.633 29.353 1.00 54.23 C ATOM 1332 O SER A 86 -13.667 -21.413 29.254 1.00 1.44 O ATOM 1333 CB SER A 86 -15.999 -23.860 29.126 1.00 23.31 C ATOM 1334 OG SER A 86 -15.342 -24.783 28.269 1.00 31.43 O ATOM 0 H SER A 86 -16.469 -21.737 30.481 1.00 75.23 H new ATOM 0 HA SER A 86 -14.641 -23.985 30.803 1.00 45.45 H new ATOM 0 HB2 SER A 86 -16.793 -24.370 29.671 1.00 23.31 H new ATOM 0 HB3 SER A 86 -16.472 -23.080 28.529 1.00 23.31 H new ATOM 0 HG SER A 86 -15.992 -25.173 27.648 1.00 31.43 H new ATOM 1340 N GLU A 87 -13.010 -23.514 28.788 1.00 22.32 N ATOM 1341 CA GLU A 87 -11.803 -23.108 28.063 1.00 43.24 C ATOM 1342 C GLU A 87 -11.979 -23.223 26.540 1.00 54.10 C ATOM 1343 O GLU A 87 -13.023 -23.653 26.047 1.00 62.12 O ATOM 1344 CB GLU A 87 -10.604 -23.948 28.527 1.00 10.21 C ATOM 1345 CG GLU A 87 -10.814 -25.457 28.415 1.00 14.42 C ATOM 1346 CD GLU A 87 -9.663 -26.257 29.011 1.00 70.22 C ATOM 1347 OE1 GLU A 87 -9.559 -26.315 30.253 1.00 42.01 O ATOM 1348 OE2 GLU A 87 -8.859 -26.829 28.242 1.00 13.32 O ATOM 0 H GLU A 87 -13.159 -24.523 28.817 1.00 22.32 H new ATOM 0 HA GLU A 87 -11.619 -22.058 28.289 1.00 43.24 H new ATOM 0 HB2 GLU A 87 -9.730 -23.670 27.938 1.00 10.21 H new ATOM 0 HB3 GLU A 87 -10.381 -23.700 29.565 1.00 10.21 H new ATOM 0 HG2 GLU A 87 -11.740 -25.729 28.921 1.00 14.42 H new ATOM 0 HG3 GLU A 87 -10.933 -25.726 27.365 1.00 14.42 H new ATOM 1355 N GLU A 88 -10.945 -22.820 25.811 1.00 71.12 N ATOM 1356 CA GLU A 88 -10.950 -22.815 24.344 1.00 2.02 C ATOM 1357 C GLU A 88 -9.501 -22.828 23.828 1.00 75.02 C ATOM 1358 O GLU A 88 -8.571 -22.632 24.602 1.00 52.40 O ATOM 1359 CB GLU A 88 -11.702 -21.565 23.845 1.00 64.21 C ATOM 1360 CG GLU A 88 -11.808 -21.435 22.329 1.00 20.02 C ATOM 1361 CD GLU A 88 -12.523 -22.607 21.671 1.00 33.41 C ATOM 1362 OE1 GLU A 88 -13.750 -22.741 21.849 1.00 2.15 O ATOM 1363 OE2 GLU A 88 -11.858 -23.389 20.956 1.00 55.45 O ATOM 0 H GLU A 88 -10.072 -22.485 26.219 1.00 71.12 H new ATOM 0 HA GLU A 88 -11.458 -23.702 23.966 1.00 2.02 H new ATOM 0 HB2 GLU A 88 -12.708 -21.574 24.264 1.00 64.21 H new ATOM 0 HB3 GLU A 88 -11.202 -20.679 24.236 1.00 64.21 H new ATOM 0 HG2 GLU A 88 -12.337 -20.513 22.087 1.00 20.02 H new ATOM 0 HG3 GLU A 88 -10.806 -21.347 21.908 1.00 20.02 H new ATOM 1370 N ARG A 89 -9.295 -23.067 22.537 1.00 73.32 N ATOM 1371 CA ARG A 89 -7.937 -23.080 21.976 1.00 75.02 C ATOM 1372 C ARG A 89 -7.879 -22.417 20.595 1.00 32.04 C ATOM 1373 O ARG A 89 -8.865 -22.401 19.855 1.00 51.31 O ATOM 1374 CB ARG A 89 -7.417 -24.521 21.871 1.00 15.04 C ATOM 1375 CG ARG A 89 -8.184 -25.383 20.869 1.00 23.13 C ATOM 1376 CD ARG A 89 -7.621 -26.799 20.783 1.00 12.00 C ATOM 1377 NE ARG A 89 -6.221 -26.819 20.354 1.00 72.12 N ATOM 1378 CZ ARG A 89 -5.438 -27.860 20.466 1.00 64.32 C ATOM 1379 NH1 ARG A 89 -5.869 -28.964 20.986 1.00 35.25 N ATOM 1380 NH2 ARG A 89 -4.214 -27.798 20.062 1.00 25.51 N ATOM 0 H ARG A 89 -10.037 -23.253 21.862 1.00 73.32 H new ATOM 0 HA ARG A 89 -7.305 -22.506 22.654 1.00 75.02 H new ATOM 0 HB2 ARG A 89 -6.365 -24.498 21.586 1.00 15.04 H new ATOM 0 HB3 ARG A 89 -7.470 -24.989 22.854 1.00 15.04 H new ATOM 0 HG2 ARG A 89 -9.234 -25.427 21.158 1.00 23.13 H new ATOM 0 HG3 ARG A 89 -8.144 -24.917 19.885 1.00 23.13 H new ATOM 0 HD2 ARG A 89 -7.706 -27.281 21.757 1.00 12.00 H new ATOM 0 HD3 ARG A 89 -8.220 -27.383 20.085 1.00 12.00 H new ATOM 0 HE ARG A 89 -5.833 -25.970 19.943 1.00 72.12 H new ATOM 0 HH11 ARG A 89 -6.832 -29.031 21.315 1.00 35.25 H new ATOM 0 HH12 ARG A 89 -5.246 -29.767 21.066 1.00 35.25 H new ATOM 0 HH21 ARG A 89 -3.855 -26.935 19.654 1.00 25.51 H new ATOM 0 HH22 ARG A 89 -3.606 -28.612 20.151 1.00 25.51 H new ATOM 1394 N PHE A 90 -6.715 -21.871 20.255 1.00 32.15 N ATOM 1395 CA PHE A 90 -6.460 -21.363 18.903 1.00 15.14 C ATOM 1396 C PHE A 90 -5.039 -21.750 18.449 1.00 2.22 C ATOM 1397 O PHE A 90 -4.042 -21.265 18.984 1.00 44.41 O ATOM 1398 CB PHE A 90 -6.676 -19.835 18.832 1.00 12.23 C ATOM 1399 CG PHE A 90 -5.669 -19.011 19.602 1.00 44.21 C ATOM 1400 CD1 PHE A 90 -5.733 -18.919 20.986 1.00 61.13 C ATOM 1401 CD2 PHE A 90 -4.660 -18.328 18.936 1.00 22.42 C ATOM 1402 CE1 PHE A 90 -4.811 -18.164 21.686 1.00 2.04 C ATOM 1403 CE2 PHE A 90 -3.737 -17.574 19.632 1.00 25.42 C ATOM 1404 CZ PHE A 90 -3.811 -17.492 21.009 1.00 43.25 C ATOM 0 H PHE A 90 -5.929 -21.767 20.896 1.00 32.15 H new ATOM 0 HA PHE A 90 -7.174 -21.823 18.220 1.00 15.14 H new ATOM 0 HB2 PHE A 90 -6.651 -19.528 17.786 1.00 12.23 H new ATOM 0 HB3 PHE A 90 -7.673 -19.606 19.208 1.00 12.23 H new ATOM 0 HD1 PHE A 90 -6.511 -19.443 21.521 1.00 61.13 H new ATOM 0 HD2 PHE A 90 -4.597 -18.388 17.860 1.00 22.42 H new ATOM 0 HE1 PHE A 90 -4.872 -18.099 22.762 1.00 2.04 H new ATOM 0 HE2 PHE A 90 -2.957 -17.048 19.100 1.00 25.42 H new ATOM 0 HZ PHE A 90 -3.089 -16.904 21.555 1.00 43.25 H new ATOM 1414 N SER A 91 -4.947 -22.651 17.475 1.00 65.11 N ATOM 1415 CA SER A 91 -3.641 -23.113 16.984 1.00 41.14 C ATOM 1416 C SER A 91 -2.986 -22.070 16.065 1.00 10.30 C ATOM 1417 O SER A 91 -2.948 -22.229 14.844 1.00 54.12 O ATOM 1418 CB SER A 91 -3.775 -24.467 16.265 1.00 40.30 C ATOM 1419 OG SER A 91 -4.186 -25.486 17.167 1.00 34.11 O ATOM 0 H SER A 91 -5.750 -23.076 17.010 1.00 65.11 H new ATOM 0 HA SER A 91 -2.991 -23.247 17.849 1.00 41.14 H new ATOM 0 HB2 SER A 91 -4.498 -24.382 15.454 1.00 40.30 H new ATOM 0 HB3 SER A 91 -2.821 -24.739 15.814 1.00 40.30 H new ATOM 0 HG SER A 91 -4.266 -26.336 16.686 1.00 34.11 H new ATOM 1425 N TYR A 92 -2.469 -21.001 16.678 1.00 31.12 N ATOM 1426 CA TYR A 92 -1.835 -19.890 15.950 1.00 22.22 C ATOM 1427 C TYR A 92 -0.747 -20.370 14.971 1.00 45.22 C ATOM 1428 O TYR A 92 -0.532 -19.761 13.922 1.00 23.13 O ATOM 1429 CB TYR A 92 -1.235 -18.888 16.950 1.00 63.01 C ATOM 1430 CG TYR A 92 -0.144 -19.473 17.842 1.00 25.24 C ATOM 1431 CD1 TYR A 92 -0.464 -20.239 18.959 1.00 40.40 C ATOM 1432 CD2 TYR A 92 1.204 -19.253 17.567 1.00 23.33 C ATOM 1433 CE1 TYR A 92 0.524 -20.769 19.769 1.00 42.33 C ATOM 1434 CE2 TYR A 92 2.195 -19.780 18.372 1.00 61.02 C ATOM 1435 CZ TYR A 92 1.851 -20.535 19.472 1.00 24.43 C ATOM 1436 OH TYR A 92 2.837 -21.060 20.277 1.00 73.10 O ATOM 0 H TYR A 92 -2.476 -20.878 17.691 1.00 31.12 H new ATOM 0 HA TYR A 92 -2.611 -19.407 15.356 1.00 22.22 H new ATOM 0 HB2 TYR A 92 -0.823 -18.043 16.398 1.00 63.01 H new ATOM 0 HB3 TYR A 92 -2.034 -18.498 17.580 1.00 63.01 H new ATOM 0 HD1 TYR A 92 -1.501 -20.423 19.197 1.00 40.40 H new ATOM 0 HD2 TYR A 92 1.479 -18.659 16.708 1.00 23.33 H new ATOM 0 HE1 TYR A 92 0.258 -21.364 20.630 1.00 42.33 H new ATOM 0 HE2 TYR A 92 3.235 -19.601 18.140 1.00 61.02 H new ATOM 0 HH TYR A 92 3.716 -20.803 19.928 1.00 73.10 H new ATOM 1446 N LYS A 93 -0.080 -21.472 15.318 1.00 50.22 N ATOM 1447 CA LYS A 93 1.026 -22.019 14.516 1.00 71.22 C ATOM 1448 C LYS A 93 0.634 -22.284 13.046 1.00 60.30 C ATOM 1449 O LYS A 93 1.484 -22.237 12.157 1.00 34.53 O ATOM 1450 CB LYS A 93 1.528 -23.327 15.146 1.00 53.44 C ATOM 1451 CG LYS A 93 0.434 -24.383 15.300 1.00 43.15 C ATOM 1452 CD LYS A 93 1.009 -25.777 15.547 1.00 24.22 C ATOM 1453 CE LYS A 93 -0.082 -26.846 15.545 1.00 2.02 C ATOM 1454 NZ LYS A 93 0.484 -28.217 15.601 1.00 3.22 N ATOM 0 H LYS A 93 -0.287 -22.012 16.158 1.00 50.22 H new ATOM 0 HA LYS A 93 1.812 -21.264 14.512 1.00 71.22 H new ATOM 0 HB2 LYS A 93 2.331 -23.733 14.531 1.00 53.44 H new ATOM 0 HB3 LYS A 93 1.954 -23.110 16.125 1.00 53.44 H new ATOM 0 HG2 LYS A 93 -0.219 -24.109 16.129 1.00 43.15 H new ATOM 0 HG3 LYS A 93 -0.182 -24.400 14.401 1.00 43.15 H new ATOM 0 HD2 LYS A 93 1.746 -26.008 14.778 1.00 24.22 H new ATOM 0 HD3 LYS A 93 1.531 -25.791 16.504 1.00 24.22 H new ATOM 0 HE2 LYS A 93 -0.743 -26.691 16.398 1.00 2.02 H new ATOM 0 HE3 LYS A 93 -0.691 -26.741 14.647 1.00 2.02 H new ATOM 0 HZ1 LYS A 93 -0.289 -28.912 15.598 1.00 3.22 H new ATOM 0 HZ2 LYS A 93 1.095 -28.375 14.774 1.00 3.22 H new ATOM 0 HZ3 LYS A 93 1.044 -28.326 16.471 1.00 3.22 H new