USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 743 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 Single : A 32 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.0028) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 103:sc= 1.15 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -0.0276 (180deg=-0.225) USER MOD Single : A 45 THR OG1 : rot -32:sc= 0.459 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -40:sc= 0.0162 USER MOD Single : A 53 GLN : amide:sc= -5.33 K(o=-5.3,f=-9.9!) USER MOD Single : A 56 SER OG : rot 27:sc= -0.485 USER MOD Single : A 60 ASN :FLIP amide:sc= -3.29 F(o=-4!,f=-3.3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -56:sc= 1.19 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -140:sc= -0.276 USER MOD Single : A 74 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.012) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -25:sc= 0.448 USER MOD Single : A 83 THR OG1 : rot 170:sc= -0.0726 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0692 USER MOD Single : A 90 SER OG : rot 180:sc= 0.00303 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 98 THR OG1 : rot 67:sc= -0.0287 USER MOD Single : A 99 MET CE :methyl 176:sc= 0 (180deg=-0.00109) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.547 USER MOD Single : A 106 THR OG1 : rot 174:sc= -0.905 USER MOD Single : A 111 LYS NZ :NH3+ -175:sc= -0.0171 (180deg=-0.0404) USER MOD Single : A 112 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 114 THR OG1 : rot 180:sc= -1.57 USER MOD Single : A 116 THR OG1 : rot 76:sc= -0.509 USER MOD Single : A 119 ASN : amide:sc= -4.08 K(o=-4.1,f=-14!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 81:sc= 1.14 USER MOD Single : A 130 THR OG1 : rot -22:sc= 0.404 USER MOD Single : A 131 SER OG : rot 180:sc= -1.12 USER MOD Single : A 132 ASN : amide:sc= -1.76 K(o=-1.8,f=-6.5!) USER MOD Single : A 143 GLN : amide:sc=-0.00184 X(o=-0.0018,f=0) USER MOD Single : A 144 THR OG1 : rot 32:sc= 0.349 USER MOD ----------------------------------------------------------------- ATOM 137 N ALA A 31 -11.092 -13.716 -1.697 1.00 0.00 N ATOM 138 CA ALA A 31 -12.021 -12.599 -1.556 1.00 0.00 C ATOM 139 C ALA A 31 -11.663 -11.486 -2.541 1.00 0.00 C ATOM 140 O ALA A 31 -11.269 -10.384 -2.152 1.00 0.00 O ATOM 141 CB ALA A 31 -11.981 -12.048 -0.127 1.00 0.00 C ATOM 0 HA ALA A 31 -13.027 -12.961 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.679 -11.216 -0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.262 -12.834 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.973 -11.702 0.101 1.00 0.00 H new ATOM 147 N GLN A 32 -11.806 -11.789 -3.828 1.00 0.00 N ATOM 148 CA GLN A 32 -11.498 -10.814 -4.872 1.00 0.00 C ATOM 149 C GLN A 32 -12.428 -9.606 -4.773 1.00 0.00 C ATOM 150 O GLN A 32 -12.068 -8.497 -5.166 1.00 0.00 O ATOM 151 CB GLN A 32 -11.649 -11.447 -6.256 1.00 0.00 C ATOM 152 CG GLN A 32 -10.676 -10.781 -7.231 1.00 0.00 C ATOM 153 CD GLN A 32 -9.320 -11.471 -7.148 1.00 0.00 C ATOM 154 OE1 GLN A 32 -8.316 -10.842 -6.811 1.00 0.00 O ATOM 155 NE2 GLN A 32 -9.227 -12.739 -7.438 1.00 0.00 N ATOM 0 H GLN A 32 -12.130 -12.693 -4.172 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.467 -10.488 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -11.450 -12.517 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -12.673 -11.331 -6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.065 -10.841 -8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.572 -9.723 -6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.058 -13.261 -7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.323 -13.209 -7.386 1.00 0.00 H new ATOM 164 N LEU A 33 -13.632 -9.834 -4.249 1.00 0.00 N ATOM 165 CA LEU A 33 -14.611 -8.756 -4.106 1.00 0.00 C ATOM 166 C LEU A 33 -14.056 -7.636 -3.229 1.00 0.00 C ATOM 167 O LEU A 33 -14.074 -6.465 -3.606 1.00 0.00 O ATOM 168 CB LEU A 33 -15.900 -9.285 -3.480 1.00 0.00 C ATOM 169 CG LEU A 33 -17.145 -8.433 -3.739 1.00 0.00 C ATOM 170 CD1 LEU A 33 -18.387 -9.327 -3.743 1.00 0.00 C ATOM 171 CD2 LEU A 33 -17.280 -7.381 -2.637 1.00 0.00 C ATOM 0 H LEU A 33 -13.951 -10.745 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.823 -8.364 -5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -16.082 -10.291 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.754 -9.370 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 33 -17.051 -7.939 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -19.273 -8.719 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -18.292 -10.078 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -18.482 -9.822 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.166 -6.774 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -17.373 -7.876 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -16.397 -6.742 -2.634 1.00 0.00 H new ATOM 183 N SER A 34 -13.562 -8.012 -2.052 1.00 0.00 N ATOM 184 CA SER A 34 -13.003 -7.032 -1.124 1.00 0.00 C ATOM 185 C SER A 34 -11.747 -6.398 -1.712 1.00 0.00 C ATOM 186 O SER A 34 -11.613 -5.175 -1.755 1.00 0.00 O ATOM 187 CB SER A 34 -12.650 -7.697 0.206 1.00 0.00 C ATOM 188 OG SER A 34 -12.562 -6.703 1.219 1.00 0.00 O ATOM 0 H SER A 34 -13.537 -8.976 -1.721 1.00 0.00 H new ATOM 0 HA SER A 34 -13.754 -6.260 -0.956 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.408 -8.435 0.469 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.703 -8.230 0.120 1.00 0.00 H new ATOM 0 HG SER A 34 -12.337 -7.126 2.074 1.00 0.00 H new ATOM 194 N GLU A 35 -10.825 -7.245 -2.162 1.00 0.00 N ATOM 195 CA GLU A 35 -9.576 -6.762 -2.746 1.00 0.00 C ATOM 196 C GLU A 35 -9.852 -5.904 -3.980 1.00 0.00 C ATOM 197 O GLU A 35 -9.088 -4.994 -4.303 1.00 0.00 O ATOM 198 CB GLU A 35 -8.684 -7.938 -3.148 1.00 0.00 C ATOM 199 CG GLU A 35 -7.232 -7.470 -3.243 1.00 0.00 C ATOM 200 CD GLU A 35 -6.417 -8.490 -4.031 1.00 0.00 C ATOM 201 OE1 GLU A 35 -5.997 -9.470 -3.436 1.00 0.00 O ATOM 202 OE2 GLU A 35 -6.226 -8.279 -5.217 1.00 0.00 O ATOM 0 H GLU A 35 -10.917 -8.260 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.068 -6.158 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.771 -8.741 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.009 -8.344 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.184 -6.496 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.813 -7.347 -2.244 1.00 0.00 H new ATOM 209 N ALA A 36 -10.952 -6.207 -4.668 1.00 0.00 N ATOM 210 CA ALA A 36 -11.321 -5.460 -5.871 1.00 0.00 C ATOM 211 C ALA A 36 -11.514 -3.981 -5.549 1.00 0.00 C ATOM 212 O ALA A 36 -10.805 -3.119 -6.069 1.00 0.00 O ATOM 213 CB ALA A 36 -12.619 -6.010 -6.460 1.00 0.00 C ATOM 0 H ALA A 36 -11.597 -6.956 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.513 -5.570 -6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.881 -5.445 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.484 -7.060 -6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.419 -5.919 -5.726 1.00 0.00 H new ATOM 219 N MET A 37 -12.485 -3.698 -4.686 1.00 0.00 N ATOM 220 CA MET A 37 -12.772 -2.316 -4.296 1.00 0.00 C ATOM 221 C MET A 37 -11.559 -1.707 -3.607 1.00 0.00 C ATOM 222 O MET A 37 -11.205 -0.550 -3.838 1.00 0.00 O ATOM 223 CB MET A 37 -13.964 -2.247 -3.331 1.00 0.00 C ATOM 224 CG MET A 37 -15.095 -3.152 -3.824 1.00 0.00 C ATOM 225 SD MET A 37 -16.645 -2.677 -3.020 1.00 0.00 S ATOM 226 CE MET A 37 -17.603 -2.387 -4.528 1.00 0.00 C ATOM 0 H MET A 37 -13.083 -4.397 -4.246 1.00 0.00 H new ATOM 0 HA MET A 37 -13.013 -1.761 -5.203 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.652 -2.554 -2.333 1.00 0.00 H new ATOM 0 HB3 MET A 37 -14.319 -1.219 -3.252 1.00 0.00 H new ATOM 0 HG2 MET A 37 -15.195 -3.070 -4.906 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.863 -4.194 -3.603 1.00 0.00 H new ATOM 0 HE1 MET A 37 -18.614 -2.078 -4.263 1.00 0.00 H new ATOM 0 HE2 MET A 37 -17.126 -1.603 -5.117 1.00 0.00 H new ATOM 0 HE3 MET A 37 -17.646 -3.305 -5.114 1.00 0.00 H new ATOM 236 N THR A 38 -10.929 -2.507 -2.755 1.00 0.00 N ATOM 237 CA THR A 38 -9.749 -2.051 -2.021 1.00 0.00 C ATOM 238 C THR A 38 -8.630 -1.671 -2.988 1.00 0.00 C ATOM 239 O THR A 38 -7.866 -0.738 -2.740 1.00 0.00 O ATOM 240 CB THR A 38 -9.245 -3.150 -1.084 1.00 0.00 C ATOM 241 OG1 THR A 38 -10.323 -3.626 -0.292 1.00 0.00 O ATOM 242 CG2 THR A 38 -8.151 -2.588 -0.174 1.00 0.00 C ATOM 0 H THR A 38 -11.210 -3.467 -2.555 1.00 0.00 H new ATOM 0 HA THR A 38 -10.035 -1.177 -1.436 1.00 0.00 H new ATOM 0 HB THR A 38 -8.837 -3.970 -1.674 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.632 -4.487 -0.644 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.794 -3.373 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.323 -2.224 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.556 -1.766 0.417 1.00 0.00 H new ATOM 250 N LEU A 39 -8.542 -2.407 -4.092 1.00 0.00 N ATOM 251 CA LEU A 39 -7.512 -2.142 -5.094 1.00 0.00 C ATOM 252 C LEU A 39 -7.857 -0.897 -5.907 1.00 0.00 C ATOM 253 O LEU A 39 -6.972 -0.179 -6.374 1.00 0.00 O ATOM 254 CB LEU A 39 -7.374 -3.332 -6.044 1.00 0.00 C ATOM 255 CG LEU A 39 -6.156 -3.285 -6.971 1.00 0.00 C ATOM 256 CD1 LEU A 39 -4.968 -3.964 -6.289 1.00 0.00 C ATOM 257 CD2 LEU A 39 -6.479 -4.017 -8.276 1.00 0.00 C ATOM 0 H LEU A 39 -9.164 -3.184 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.570 -1.981 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.326 -4.246 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.274 -3.395 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.906 -2.246 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.101 -3.930 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.736 -3.444 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.218 -5.002 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.612 -3.984 -8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.730 -5.055 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.325 -3.534 -8.764 1.00 0.00 H new ATOM 269 N ALA A 40 -9.153 -0.650 -6.075 1.00 0.00 N ATOM 270 CA ALA A 40 -9.608 0.511 -6.839 1.00 0.00 C ATOM 271 C ALA A 40 -9.112 1.806 -6.202 1.00 0.00 C ATOM 272 O ALA A 40 -8.335 2.550 -6.799 1.00 0.00 O ATOM 273 CB ALA A 40 -11.136 0.542 -6.904 1.00 0.00 C ATOM 0 H ALA A 40 -9.901 -1.231 -5.697 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.201 0.427 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.458 1.412 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.498 -0.365 -7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.542 0.601 -5.894 1.00 0.00 H new ATOM 279 N SER A 41 -9.576 2.068 -4.983 1.00 0.00 N ATOM 280 CA SER A 41 -9.180 3.281 -4.271 1.00 0.00 C ATOM 281 C SER A 41 -7.670 3.305 -4.044 1.00 0.00 C ATOM 282 O SER A 41 -7.036 4.359 -4.100 1.00 0.00 O ATOM 283 CB SER A 41 -9.886 3.361 -2.918 1.00 0.00 C ATOM 284 OG SER A 41 -9.831 4.698 -2.438 1.00 0.00 O ATOM 0 H SER A 41 -10.220 1.464 -4.471 1.00 0.00 H new ATOM 0 HA SER A 41 -9.467 4.135 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.923 3.040 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.410 2.687 -2.206 1.00 0.00 H new ATOM 0 HG SER A 41 -10.284 4.753 -1.571 1.00 0.00 H new ATOM 290 N GLY A 42 -7.102 2.131 -3.784 1.00 0.00 N ATOM 291 CA GLY A 42 -5.665 2.027 -3.545 1.00 0.00 C ATOM 292 C GLY A 42 -4.873 2.429 -4.786 1.00 0.00 C ATOM 293 O GLY A 42 -3.762 2.947 -4.687 1.00 0.00 O ATOM 0 H GLY A 42 -7.608 1.247 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.385 2.666 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.413 1.005 -3.264 1.00 0.00 H new ATOM 297 N LEU A 43 -5.457 2.180 -5.955 1.00 0.00 N ATOM 298 CA LEU A 43 -4.793 2.518 -7.212 1.00 0.00 C ATOM 299 C LEU A 43 -4.774 4.030 -7.421 1.00 0.00 C ATOM 300 O LEU A 43 -3.806 4.587 -7.939 1.00 0.00 O ATOM 301 CB LEU A 43 -5.516 1.862 -8.390 1.00 0.00 C ATOM 302 CG LEU A 43 -4.680 1.711 -9.664 1.00 0.00 C ATOM 303 CD1 LEU A 43 -3.390 0.952 -9.345 1.00 0.00 C ATOM 304 CD2 LEU A 43 -5.483 0.929 -10.707 1.00 0.00 C ATOM 0 H LEU A 43 -6.377 1.751 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.769 2.148 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.860 0.875 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.404 2.450 -8.624 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.433 2.698 -10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.796 0.846 -10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.818 1.505 -8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.636 -0.035 -8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.891 0.820 -11.615 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.728 -0.057 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.403 1.467 -10.936 1.00 0.00 H new ATOM 316 N LYS A 44 -5.855 4.687 -7.011 1.00 0.00 N ATOM 317 CA LYS A 44 -5.956 6.137 -7.158 1.00 0.00 C ATOM 318 C LYS A 44 -4.857 6.835 -6.362 1.00 0.00 C ATOM 319 O LYS A 44 -4.246 7.796 -6.829 1.00 0.00 O ATOM 320 CB LYS A 44 -7.317 6.631 -6.663 1.00 0.00 C ATOM 321 CG LYS A 44 -8.431 5.898 -7.413 1.00 0.00 C ATOM 322 CD LYS A 44 -8.844 6.712 -8.641 1.00 0.00 C ATOM 323 CE LYS A 44 -10.334 6.501 -8.917 1.00 0.00 C ATOM 324 NZ LYS A 44 -11.138 7.244 -7.906 1.00 0.00 N ATOM 0 H LYS A 44 -6.666 4.245 -6.579 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.844 6.374 -8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.411 6.457 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.405 7.706 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.088 4.909 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.289 5.750 -6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.641 7.770 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.256 6.407 -9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.581 6.848 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.575 5.439 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.087 7.434 -8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.221 6.673 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.668 8.145 -7.683 1.00 0.00 H new ATOM 338 N THR A 45 -4.615 6.341 -5.151 1.00 0.00 N ATOM 339 CA THR A 45 -3.591 6.924 -4.289 1.00 0.00 C ATOM 340 C THR A 45 -2.207 6.779 -4.917 1.00 0.00 C ATOM 341 O THR A 45 -1.421 7.725 -4.947 1.00 0.00 O ATOM 342 CB THR A 45 -3.589 6.238 -2.922 1.00 0.00 C ATOM 343 OG1 THR A 45 -3.419 4.838 -3.097 1.00 0.00 O ATOM 344 CG2 THR A 45 -4.918 6.506 -2.212 1.00 0.00 C ATOM 0 H THR A 45 -5.109 5.545 -4.747 1.00 0.00 H new ATOM 0 HA THR A 45 -3.823 7.982 -4.168 1.00 0.00 H new ATOM 0 HB THR A 45 -2.771 6.632 -2.319 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.835 4.561 -3.940 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.915 6.017 -1.238 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.049 7.580 -2.078 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.738 6.113 -2.813 1.00 0.00 H new ATOM 352 N LYS A 46 -1.916 5.579 -5.413 1.00 0.00 N ATOM 353 CA LYS A 46 -0.619 5.317 -6.033 1.00 0.00 C ATOM 354 C LYS A 46 -0.444 6.156 -7.296 1.00 0.00 C ATOM 355 O LYS A 46 0.589 6.793 -7.496 1.00 0.00 O ATOM 356 CB LYS A 46 -0.485 3.837 -6.392 1.00 0.00 C ATOM 357 CG LYS A 46 -0.029 3.056 -5.159 1.00 0.00 C ATOM 358 CD LYS A 46 0.466 1.672 -5.581 1.00 0.00 C ATOM 359 CE LYS A 46 0.807 0.851 -4.336 1.00 0.00 C ATOM 360 NZ LYS A 46 1.000 -0.576 -4.719 1.00 0.00 N ATOM 0 H LYS A 46 -2.552 4.781 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 46 0.154 5.587 -5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.439 3.450 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.233 3.711 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.767 3.597 -4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.853 2.958 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.300 1.163 -6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.345 1.767 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.712 1.239 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.007 0.936 -3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.232 -1.134 -3.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.125 -0.942 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.778 -0.649 -5.406 1.00 0.00 H new ATOM 374 N VAL A 47 -1.468 6.151 -8.146 1.00 0.00 N ATOM 375 CA VAL A 47 -1.416 6.918 -9.390 1.00 0.00 C ATOM 376 C VAL A 47 -1.274 8.410 -9.079 1.00 0.00 C ATOM 377 O VAL A 47 -0.575 9.152 -9.783 1.00 0.00 O ATOM 378 CB VAL A 47 -2.683 6.680 -10.216 1.00 0.00 C ATOM 379 CG1 VAL A 47 -2.559 7.391 -11.564 1.00 0.00 C ATOM 380 CG2 VAL A 47 -2.861 5.177 -10.454 1.00 0.00 C ATOM 0 H VAL A 47 -2.334 5.632 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.552 6.587 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.544 7.072 -9.675 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.462 7.220 -12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.430 8.461 -11.401 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.697 7.000 -12.104 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.763 5.006 -11.042 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.997 4.789 -10.994 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.950 4.665 -9.496 1.00 0.00 H new ATOM 390 N SER A 48 -1.934 8.840 -8.002 1.00 0.00 N ATOM 391 CA SER A 48 -1.870 10.240 -7.585 1.00 0.00 C ATOM 392 C SER A 48 -0.422 10.639 -7.326 1.00 0.00 C ATOM 393 O SER A 48 -0.028 11.786 -7.539 1.00 0.00 O ATOM 394 CB SER A 48 -2.683 10.462 -6.310 1.00 0.00 C ATOM 395 OG SER A 48 -3.013 11.840 -6.198 1.00 0.00 O ATOM 0 H SER A 48 -2.513 8.245 -7.409 1.00 0.00 H new ATOM 0 HA SER A 48 -2.286 10.852 -8.385 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.591 9.859 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.111 10.141 -5.439 1.00 0.00 H new ATOM 0 HG SER A 48 -3.536 11.986 -5.382 1.00 0.00 H new ATOM 401 N ASP A 49 0.368 9.668 -6.876 1.00 0.00 N ATOM 402 CA ASP A 49 1.774 9.916 -6.606 1.00 0.00 C ATOM 403 C ASP A 49 2.545 10.004 -7.916 1.00 0.00 C ATOM 404 O ASP A 49 3.469 10.800 -8.044 1.00 0.00 O ATOM 405 CB ASP A 49 2.365 8.794 -5.750 1.00 0.00 C ATOM 406 CG ASP A 49 2.084 9.075 -4.278 1.00 0.00 C ATOM 407 OD1 ASP A 49 0.929 9.003 -3.892 1.00 0.00 O ATOM 408 OD2 ASP A 49 3.028 9.358 -3.558 1.00 0.00 O ATOM 0 H ASP A 49 0.059 8.713 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 49 1.857 10.858 -6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.931 7.836 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.439 8.721 -5.919 1.00 0.00 H new ATOM 413 N ILE A 50 2.144 9.176 -8.894 1.00 0.00 N ATOM 414 CA ILE A 50 2.802 9.154 -10.215 1.00 0.00 C ATOM 415 C ILE A 50 3.013 10.575 -10.745 1.00 0.00 C ATOM 416 O ILE A 50 4.145 11.018 -10.925 1.00 0.00 O ATOM 417 CB ILE A 50 1.966 8.347 -11.227 1.00 0.00 C ATOM 418 CG1 ILE A 50 1.814 6.900 -10.725 1.00 0.00 C ATOM 419 CG2 ILE A 50 2.648 8.347 -12.608 1.00 0.00 C ATOM 420 CD1 ILE A 50 3.183 6.218 -10.643 1.00 0.00 C ATOM 0 H ILE A 50 1.372 8.516 -8.798 1.00 0.00 H new ATOM 0 HA ILE A 50 3.773 8.675 -10.092 1.00 0.00 H new ATOM 0 HB ILE A 50 0.983 8.809 -11.323 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.339 6.896 -9.744 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.162 6.342 -11.397 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.045 7.773 -13.312 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.745 9.372 -12.966 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.637 7.896 -12.525 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.059 5.195 -10.286 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.643 6.205 -11.631 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.823 6.768 -9.953 1.00 0.00 H new ATOM 432 N PHE A 51 1.915 11.293 -10.977 1.00 0.00 N ATOM 433 CA PHE A 51 2.024 12.674 -11.467 1.00 0.00 C ATOM 434 C PHE A 51 2.824 13.507 -10.461 1.00 0.00 C ATOM 435 O PHE A 51 3.514 14.458 -10.829 1.00 0.00 O ATOM 436 CB PHE A 51 0.614 13.275 -11.690 1.00 0.00 C ATOM 437 CG PHE A 51 0.638 14.799 -11.754 1.00 0.00 C ATOM 438 CD1 PHE A 51 0.918 15.465 -12.958 1.00 0.00 C ATOM 439 CD2 PHE A 51 0.365 15.538 -10.597 1.00 0.00 C ATOM 440 CE1 PHE A 51 0.921 16.864 -13.000 1.00 0.00 C ATOM 441 CE2 PHE A 51 0.372 16.938 -10.641 1.00 0.00 C ATOM 442 CZ PHE A 51 0.650 17.600 -11.843 1.00 0.00 C ATOM 0 H PHE A 51 0.962 10.957 -10.839 1.00 0.00 H new ATOM 0 HA PHE A 51 2.546 12.683 -12.424 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.196 12.881 -12.616 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.046 12.958 -10.882 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.131 14.898 -13.852 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.149 15.028 -9.670 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.133 17.375 -13.927 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.163 17.507 -9.747 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.655 18.679 -11.876 1.00 0.00 H new ATOM 452 N SER A 52 2.731 13.131 -9.191 1.00 0.00 N ATOM 453 CA SER A 52 3.457 13.841 -8.154 1.00 0.00 C ATOM 454 C SER A 52 4.954 13.490 -8.195 1.00 0.00 C ATOM 455 O SER A 52 5.780 14.190 -7.608 1.00 0.00 O ATOM 456 CB SER A 52 2.903 13.483 -6.775 1.00 0.00 C ATOM 457 OG SER A 52 3.291 14.482 -5.840 1.00 0.00 O ATOM 0 H SER A 52 2.167 12.348 -8.861 1.00 0.00 H new ATOM 0 HA SER A 52 3.333 14.909 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.816 13.408 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.278 12.509 -6.461 1.00 0.00 H new ATOM 0 HG SER A 52 4.214 14.758 -6.021 1.00 0.00 H new ATOM 463 N GLN A 53 5.297 12.388 -8.884 1.00 0.00 N ATOM 464 CA GLN A 53 6.692 11.948 -8.978 1.00 0.00 C ATOM 465 C GLN A 53 7.587 13.060 -9.536 1.00 0.00 C ATOM 466 O GLN A 53 8.247 13.774 -8.781 1.00 0.00 O ATOM 467 CB GLN A 53 6.815 10.694 -9.864 1.00 0.00 C ATOM 468 CG GLN A 53 6.113 9.515 -9.189 1.00 0.00 C ATOM 469 CD GLN A 53 6.229 8.266 -10.060 1.00 0.00 C ATOM 470 OE1 GLN A 53 6.511 7.181 -9.556 1.00 0.00 O ATOM 471 NE2 GLN A 53 6.014 8.350 -11.347 1.00 0.00 N ATOM 0 H GLN A 53 4.632 11.793 -9.378 1.00 0.00 H new ATOM 0 HA GLN A 53 7.024 11.704 -7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.371 10.883 -10.842 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.866 10.457 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.557 9.328 -8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.063 9.755 -9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.780 9.249 -11.767 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.080 7.516 -11.931 1.00 0.00 H new ATOM 480 N ASP A 54 7.613 13.197 -10.862 1.00 0.00 N ATOM 481 CA ASP A 54 8.444 14.221 -11.492 1.00 0.00 C ATOM 482 C ASP A 54 7.666 15.515 -11.728 1.00 0.00 C ATOM 483 O ASP A 54 8.118 16.385 -12.474 1.00 0.00 O ATOM 484 CB ASP A 54 8.980 13.718 -12.833 1.00 0.00 C ATOM 485 CG ASP A 54 10.080 12.690 -12.588 1.00 0.00 C ATOM 486 OD1 ASP A 54 9.790 11.676 -11.977 1.00 0.00 O ATOM 487 OD2 ASP A 54 11.196 12.934 -13.017 1.00 0.00 O ATOM 0 H ASP A 54 7.077 12.621 -11.511 1.00 0.00 H new ATOM 0 HA ASP A 54 9.269 14.428 -10.811 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.173 13.272 -13.415 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.370 14.552 -13.417 1.00 0.00 H new ATOM 492 N GLY A 55 6.485 15.640 -11.116 1.00 0.00 N ATOM 493 CA GLY A 55 5.671 16.839 -11.316 1.00 0.00 C ATOM 494 C GLY A 55 5.354 17.027 -12.802 1.00 0.00 C ATOM 495 O GLY A 55 5.125 18.143 -13.269 1.00 0.00 O ATOM 0 H GLY A 55 6.079 14.943 -10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.745 16.756 -10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.201 17.713 -10.937 1.00 0.00 H new ATOM 499 N SER A 56 5.350 15.913 -13.535 1.00 0.00 N ATOM 500 CA SER A 56 5.069 15.933 -14.964 1.00 0.00 C ATOM 501 C SER A 56 4.426 14.607 -15.365 1.00 0.00 C ATOM 502 O SER A 56 3.926 13.876 -14.511 1.00 0.00 O ATOM 503 CB SER A 56 6.364 16.142 -15.758 1.00 0.00 C ATOM 504 OG SER A 56 6.062 16.245 -17.143 1.00 0.00 O ATOM 0 H SER A 56 5.539 14.984 -13.158 1.00 0.00 H new ATOM 0 HA SER A 56 4.389 16.756 -15.185 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.870 17.046 -15.417 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.047 15.310 -15.585 1.00 0.00 H new ATOM 0 HG SER A 56 5.148 16.580 -17.254 1.00 0.00 H new ATOM 510 N CYS A 57 4.434 14.296 -16.660 1.00 0.00 N ATOM 511 CA CYS A 57 3.834 13.048 -17.121 1.00 0.00 C ATOM 512 C CYS A 57 4.717 12.357 -18.169 1.00 0.00 C ATOM 513 O CYS A 57 4.356 12.282 -19.345 1.00 0.00 O ATOM 514 CB CYS A 57 2.448 13.317 -17.706 1.00 0.00 C ATOM 515 SG CYS A 57 1.386 13.991 -16.405 1.00 0.00 S ATOM 0 H CYS A 57 4.840 14.877 -17.394 1.00 0.00 H new ATOM 0 HA CYS A 57 3.743 12.383 -16.262 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.519 14.019 -18.537 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.021 12.396 -18.103 1.00 0.00 H new ATOM 520 N PRO A 58 5.881 11.827 -17.753 1.00 0.00 N ATOM 521 CA PRO A 58 6.792 11.125 -18.673 1.00 0.00 C ATOM 522 C PRO A 58 6.416 9.654 -18.842 1.00 0.00 C ATOM 523 O PRO A 58 5.318 9.235 -18.473 1.00 0.00 O ATOM 524 CB PRO A 58 8.133 11.261 -17.961 1.00 0.00 C ATOM 525 CG PRO A 58 7.836 11.467 -16.479 1.00 0.00 C ATOM 526 CD PRO A 58 6.369 11.891 -16.356 1.00 0.00 C ATOM 0 HA PRO A 58 6.777 11.534 -19.683 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.741 10.369 -18.111 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.698 12.103 -18.361 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.017 10.549 -15.921 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.492 12.230 -16.059 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.810 11.221 -15.703 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.273 12.894 -15.941 1.00 0.00 H new ATOM 534 N ALA A 59 7.338 8.873 -19.398 1.00 0.00 N ATOM 535 CA ALA A 59 7.090 7.449 -19.604 1.00 0.00 C ATOM 536 C ALA A 59 8.315 6.636 -19.188 1.00 0.00 C ATOM 537 O ALA A 59 9.017 6.063 -20.024 1.00 0.00 O ATOM 538 CB ALA A 59 6.765 7.168 -21.074 1.00 0.00 C ATOM 0 H ALA A 59 8.253 9.197 -19.711 1.00 0.00 H new ATOM 0 HA ALA A 59 6.238 7.157 -18.991 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.583 6.102 -21.209 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.875 7.727 -21.363 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.605 7.474 -21.697 1.00 0.00 H new ATOM 544 N ASN A 60 8.567 6.595 -17.877 1.00 0.00 N ATOM 545 CA ASN A 60 9.716 5.853 -17.336 1.00 0.00 C ATOM 546 C ASN A 60 10.999 6.156 -18.116 1.00 0.00 C ATOM 547 O ASN A 60 11.899 5.321 -18.205 1.00 0.00 O ATOM 548 CB ASN A 60 9.449 4.346 -17.380 1.00 0.00 C ATOM 549 CG ASN A 60 8.794 3.900 -16.073 1.00 0.00 C ATOM 550 OD1 ASN A 60 7.936 4.686 -15.480 1.00 0.00 O flip ATOM 551 ND2 ASN A 60 9.069 2.806 -15.578 1.00 0.00 N flip ATOM 0 H ASN A 60 7.997 7.063 -17.172 1.00 0.00 H new ATOM 0 HA ASN A 60 9.851 6.175 -16.303 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.801 4.106 -18.223 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.383 3.806 -17.533 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.739 2.191 -16.040 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.627 2.515 -14.706 1.00 0.00 H new ATOM 558 N THR A 61 11.068 7.360 -18.676 1.00 0.00 N ATOM 559 CA THR A 61 12.243 7.765 -19.445 1.00 0.00 C ATOM 560 C THR A 61 13.394 8.124 -18.510 1.00 0.00 C ATOM 561 O THR A 61 14.564 7.952 -18.850 1.00 0.00 O ATOM 562 CB THR A 61 11.916 8.976 -20.323 1.00 0.00 C ATOM 563 OG1 THR A 61 11.401 10.022 -19.512 1.00 0.00 O ATOM 564 CG2 THR A 61 10.876 8.581 -21.373 1.00 0.00 C ATOM 0 H THR A 61 10.334 8.066 -18.614 1.00 0.00 H new ATOM 0 HA THR A 61 12.537 6.927 -20.077 1.00 0.00 H new ATOM 0 HB THR A 61 12.822 9.318 -20.824 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.193 10.798 -20.073 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.644 9.444 -21.998 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.273 7.779 -21.995 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.969 8.238 -20.876 1.00 0.00 H new ATOM 572 N ALA A 62 13.050 8.627 -17.327 1.00 0.00 N ATOM 573 CA ALA A 62 14.063 9.006 -16.348 1.00 0.00 C ATOM 574 C ALA A 62 13.858 8.237 -15.048 1.00 0.00 C ATOM 575 O ALA A 62 14.109 8.751 -13.958 1.00 0.00 O ATOM 576 CB ALA A 62 13.991 10.507 -16.058 1.00 0.00 C ATOM 0 H ALA A 62 12.088 8.780 -17.026 1.00 0.00 H new ATOM 0 HA ALA A 62 15.042 8.764 -16.763 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.753 10.773 -15.326 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.162 11.064 -16.979 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.006 10.754 -15.662 1.00 0.00 H new ATOM 582 N ALA A 63 13.396 6.996 -15.177 1.00 0.00 N ATOM 583 CA ALA A 63 13.156 6.157 -14.008 1.00 0.00 C ATOM 584 C ALA A 63 14.156 5.006 -13.959 1.00 0.00 C ATOM 585 O ALA A 63 15.100 4.954 -14.747 1.00 0.00 O ATOM 586 CB ALA A 63 11.738 5.581 -14.046 1.00 0.00 C ATOM 0 H ALA A 63 13.182 6.553 -16.071 1.00 0.00 H new ATOM 0 HA ALA A 63 13.275 6.778 -13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.575 4.957 -13.167 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.014 6.396 -14.052 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.614 4.979 -14.946 1.00 0.00 H new ATOM 592 N THR A 64 13.932 4.087 -13.012 1.00 0.00 N ATOM 593 CA THR A 64 14.800 2.910 -12.826 1.00 0.00 C ATOM 594 C THR A 64 16.285 3.265 -12.959 1.00 0.00 C ATOM 595 O THR A 64 17.094 2.455 -13.411 1.00 0.00 O ATOM 596 CB THR A 64 14.449 1.810 -13.837 1.00 0.00 C ATOM 597 OG1 THR A 64 15.301 0.693 -13.630 1.00 0.00 O ATOM 598 CG2 THR A 64 14.627 2.329 -15.265 1.00 0.00 C ATOM 0 H THR A 64 13.152 4.134 -12.357 1.00 0.00 H new ATOM 0 HA THR A 64 14.624 2.546 -11.814 1.00 0.00 H new ATOM 0 HB THR A 64 13.410 1.514 -13.695 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.236 0.978 -13.695 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.375 1.540 -15.973 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.970 3.184 -15.426 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.663 2.634 -15.415 1.00 0.00 H new ATOM 606 N ALA A 65 16.625 4.486 -12.558 1.00 0.00 N ATOM 607 CA ALA A 65 18.010 4.944 -12.632 1.00 0.00 C ATOM 608 C ALA A 65 18.431 5.577 -11.309 1.00 0.00 C ATOM 609 O ALA A 65 19.495 5.274 -10.770 1.00 0.00 O ATOM 610 CB ALA A 65 18.175 5.973 -13.752 1.00 0.00 C ATOM 0 H ALA A 65 15.969 5.171 -12.182 1.00 0.00 H new ATOM 0 HA ALA A 65 18.641 4.079 -12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.213 6.303 -13.793 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.901 5.521 -14.705 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.529 6.829 -13.557 1.00 0.00 H new ATOM 616 N GLY A 66 17.580 6.459 -10.795 1.00 0.00 N ATOM 617 CA GLY A 66 17.867 7.134 -9.533 1.00 0.00 C ATOM 618 C GLY A 66 16.576 7.433 -8.776 1.00 0.00 C ATOM 619 O GLY A 66 16.472 8.432 -8.066 1.00 0.00 O ATOM 0 H GLY A 66 16.694 6.722 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.517 6.510 -8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.405 8.062 -9.725 1.00 0.00 H new ATOM 623 N ILE A 67 15.593 6.551 -8.939 1.00 0.00 N ATOM 624 CA ILE A 67 14.304 6.725 -8.267 1.00 0.00 C ATOM 625 C ILE A 67 13.780 5.373 -7.792 1.00 0.00 C ATOM 626 O ILE A 67 14.285 4.322 -8.189 1.00 0.00 O ATOM 627 CB ILE A 67 13.266 7.357 -9.209 1.00 0.00 C ATOM 628 CG1 ILE A 67 13.906 8.478 -10.034 1.00 0.00 C ATOM 629 CG2 ILE A 67 12.114 7.944 -8.387 1.00 0.00 C ATOM 630 CD1 ILE A 67 12.901 8.973 -11.074 1.00 0.00 C ATOM 0 H ILE A 67 15.660 5.717 -9.523 1.00 0.00 H new ATOM 0 HA ILE A 67 14.458 7.389 -7.417 1.00 0.00 H new ATOM 0 HB ILE A 67 12.891 6.584 -9.880 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.207 9.298 -9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.808 8.114 -10.526 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.380 8.391 -9.057 1.00 0.00 H new ATOM 0 HG22 ILE A 67 11.641 7.152 -7.807 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.501 8.707 -7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.351 9.771 -11.664 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.622 8.149 -11.731 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.012 9.352 -10.570 1.00 0.00 H new ATOM 642 N GLU A 68 12.761 5.410 -6.940 1.00 0.00 N ATOM 643 CA GLU A 68 12.174 4.180 -6.415 1.00 0.00 C ATOM 644 C GLU A 68 10.651 4.277 -6.414 1.00 0.00 C ATOM 645 O GLU A 68 9.980 3.772 -5.513 1.00 0.00 O ATOM 646 CB GLU A 68 12.662 3.921 -4.988 1.00 0.00 C ATOM 647 CG GLU A 68 13.953 3.102 -5.030 1.00 0.00 C ATOM 648 CD GLU A 68 14.078 2.282 -3.751 1.00 0.00 C ATOM 649 OE1 GLU A 68 13.941 2.860 -2.685 1.00 0.00 O ATOM 650 OE2 GLU A 68 14.311 1.089 -3.855 1.00 0.00 O ATOM 0 H GLU A 68 12.327 6.268 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 68 12.484 3.356 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.836 4.867 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.898 3.387 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.950 2.443 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.813 3.764 -5.136 1.00 0.00 H new ATOM 657 N LYS A 69 10.111 4.932 -7.438 1.00 0.00 N ATOM 658 CA LYS A 69 8.663 5.093 -7.549 1.00 0.00 C ATOM 659 C LYS A 69 8.242 5.139 -9.014 1.00 0.00 C ATOM 660 O LYS A 69 7.294 4.470 -9.424 1.00 0.00 O ATOM 661 CB LYS A 69 8.211 6.379 -6.857 1.00 0.00 C ATOM 662 CG LYS A 69 8.735 6.397 -5.420 1.00 0.00 C ATOM 663 CD LYS A 69 8.096 7.561 -4.658 1.00 0.00 C ATOM 664 CE LYS A 69 9.007 8.787 -4.745 1.00 0.00 C ATOM 665 NZ LYS A 69 8.195 10.022 -4.556 1.00 0.00 N ATOM 0 H LYS A 69 10.647 5.356 -8.195 1.00 0.00 H new ATOM 0 HA LYS A 69 8.192 4.238 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.582 7.247 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.123 6.443 -6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.503 5.454 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.820 6.500 -5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.117 7.791 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.938 7.285 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.785 8.730 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.509 8.813 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.813 10.856 -4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.468 10.077 -5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.736 9.996 -3.623 1.00 0.00 H new ATOM 679 N ASP A 70 8.956 5.944 -9.800 1.00 0.00 N ATOM 680 CA ASP A 70 8.647 6.077 -11.224 1.00 0.00 C ATOM 681 C ASP A 70 8.739 4.725 -11.928 1.00 0.00 C ATOM 682 O ASP A 70 8.029 4.467 -12.899 1.00 0.00 O ATOM 683 CB ASP A 70 9.619 7.053 -11.891 1.00 0.00 C ATOM 684 CG ASP A 70 9.033 7.532 -13.215 1.00 0.00 C ATOM 685 OD1 ASP A 70 8.454 6.717 -13.913 1.00 0.00 O ATOM 686 OD2 ASP A 70 9.171 8.708 -13.510 1.00 0.00 O ATOM 0 H ASP A 70 9.743 6.508 -9.480 1.00 0.00 H new ATOM 0 HA ASP A 70 7.629 6.457 -11.310 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.804 7.903 -11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.579 6.567 -12.061 1.00 0.00 H new ATOM 691 N THR A 71 9.615 3.863 -11.422 1.00 0.00 N ATOM 692 CA THR A 71 9.785 2.535 -12.008 1.00 0.00 C ATOM 693 C THR A 71 9.098 1.485 -11.138 1.00 0.00 C ATOM 694 O THR A 71 9.748 0.762 -10.380 1.00 0.00 O ATOM 695 CB THR A 71 11.272 2.192 -12.136 1.00 0.00 C ATOM 696 OG1 THR A 71 11.410 0.846 -12.569 1.00 0.00 O ATOM 697 CG2 THR A 71 11.965 2.366 -10.780 1.00 0.00 C ATOM 0 H THR A 71 10.212 4.055 -10.618 1.00 0.00 H new ATOM 0 HA THR A 71 9.333 2.538 -13.000 1.00 0.00 H new ATOM 0 HB THR A 71 11.734 2.860 -12.863 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.154 0.423 -12.091 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.022 2.120 -10.878 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.861 3.399 -10.448 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.505 1.702 -10.048 1.00 0.00 H new ATOM 705 N ASP A 72 7.774 1.410 -11.247 1.00 0.00 N ATOM 706 CA ASP A 72 7.018 0.445 -10.452 1.00 0.00 C ATOM 707 C ASP A 72 7.167 -0.971 -11.034 1.00 0.00 C ATOM 708 O ASP A 72 8.150 -1.653 -10.739 1.00 0.00 O ATOM 709 CB ASP A 72 5.541 0.856 -10.370 1.00 0.00 C ATOM 710 CG ASP A 72 5.400 2.076 -9.466 1.00 0.00 C ATOM 711 OD1 ASP A 72 5.783 1.980 -8.311 1.00 0.00 O ATOM 712 OD2 ASP A 72 4.912 3.087 -9.941 1.00 0.00 O ATOM 0 H ASP A 72 7.211 1.994 -11.865 1.00 0.00 H new ATOM 0 HA ASP A 72 7.423 0.436 -9.440 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.160 1.083 -11.366 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.944 0.031 -9.981 1.00 0.00 H new ATOM 717 N ILE A 73 6.199 -1.416 -11.863 1.00 0.00 N ATOM 718 CA ILE A 73 6.249 -2.756 -12.471 1.00 0.00 C ATOM 719 C ILE A 73 6.701 -3.818 -11.457 1.00 0.00 C ATOM 720 O ILE A 73 7.756 -4.437 -11.604 1.00 0.00 O ATOM 721 CB ILE A 73 7.200 -2.749 -13.669 1.00 0.00 C ATOM 722 CG1 ILE A 73 6.777 -1.647 -14.644 1.00 0.00 C ATOM 723 CG2 ILE A 73 7.154 -4.109 -14.381 1.00 0.00 C ATOM 724 CD1 ILE A 73 7.873 -1.444 -15.692 1.00 0.00 C ATOM 0 H ILE A 73 5.379 -0.868 -12.123 1.00 0.00 H new ATOM 0 HA ILE A 73 5.242 -3.011 -12.802 1.00 0.00 H new ATOM 0 HB ILE A 73 8.216 -2.562 -13.322 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.840 -1.917 -15.130 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.599 -0.717 -14.104 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.834 -4.097 -15.233 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.456 -4.893 -13.687 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.139 -4.303 -14.729 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.572 -0.659 -16.386 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.800 -1.155 -15.197 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.029 -2.373 -16.240 1.00 0.00 H new ATOM 736 N ASN A 74 5.891 -4.003 -10.420 1.00 0.00 N ATOM 737 CA ASN A 74 6.216 -4.974 -9.376 1.00 0.00 C ATOM 738 C ASN A 74 5.711 -6.361 -9.758 1.00 0.00 C ATOM 739 O ASN A 74 4.883 -6.513 -10.658 1.00 0.00 O ATOM 740 CB ASN A 74 5.586 -4.570 -8.036 1.00 0.00 C ATOM 741 CG ASN A 74 5.800 -3.078 -7.768 1.00 0.00 C ATOM 742 OD1 ASN A 74 4.951 -2.426 -7.160 1.00 0.00 O ATOM 743 ND2 ASN A 74 6.890 -2.490 -8.189 1.00 0.00 N ATOM 0 H ASN A 74 5.014 -3.501 -10.278 1.00 0.00 H new ATOM 0 HA ASN A 74 7.301 -4.994 -9.273 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.519 -4.794 -8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.026 -5.157 -7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.034 -1.496 -8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.596 -3.026 -8.693 1.00 0.00 H new ATOM 750 N GLY A 75 6.217 -7.373 -9.058 1.00 0.00 N ATOM 751 CA GLY A 75 5.811 -8.750 -9.323 1.00 0.00 C ATOM 752 C GLY A 75 6.745 -9.412 -10.330 1.00 0.00 C ATOM 753 O GLY A 75 7.598 -8.760 -10.933 1.00 0.00 O ATOM 0 H GLY A 75 6.902 -7.267 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.812 -9.318 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.790 -8.765 -9.705 1.00 0.00 H new ATOM 757 N LYS A 76 6.564 -10.717 -10.510 1.00 0.00 N ATOM 758 CA LYS A 76 7.383 -11.470 -11.452 1.00 0.00 C ATOM 759 C LYS A 76 6.735 -11.434 -12.832 1.00 0.00 C ATOM 760 O LYS A 76 6.286 -12.452 -13.360 1.00 0.00 O ATOM 761 CB LYS A 76 7.533 -12.924 -10.992 1.00 0.00 C ATOM 762 CG LYS A 76 8.287 -12.963 -9.661 1.00 0.00 C ATOM 763 CD LYS A 76 8.995 -14.311 -9.514 1.00 0.00 C ATOM 764 CE LYS A 76 10.395 -14.222 -10.123 1.00 0.00 C ATOM 765 NZ LYS A 76 11.355 -13.732 -9.093 1.00 0.00 N ATOM 0 H LYS A 76 5.862 -11.271 -10.019 1.00 0.00 H new ATOM 0 HA LYS A 76 8.372 -11.015 -11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.551 -13.384 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.071 -13.501 -11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.014 -12.152 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.594 -12.812 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.062 -14.586 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.420 -15.092 -10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.706 -15.200 -10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.388 -13.548 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.307 -13.671 -9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.060 -12.791 -8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.368 -14.392 -8.289 1.00 0.00 H new ATOM 779 N TYR A 77 6.680 -10.231 -13.398 1.00 0.00 N ATOM 780 CA TYR A 77 6.072 -10.022 -14.716 1.00 0.00 C ATOM 781 C TYR A 77 4.560 -10.168 -14.634 1.00 0.00 C ATOM 782 O TYR A 77 3.905 -10.548 -15.605 1.00 0.00 O ATOM 783 CB TYR A 77 6.622 -11.007 -15.757 1.00 0.00 C ATOM 784 CG TYR A 77 8.131 -10.989 -15.723 1.00 0.00 C ATOM 785 CD1 TYR A 77 8.827 -9.846 -16.136 1.00 0.00 C ATOM 786 CD2 TYR A 77 8.836 -12.113 -15.276 1.00 0.00 C ATOM 787 CE1 TYR A 77 10.226 -9.828 -16.105 1.00 0.00 C ATOM 788 CE2 TYR A 77 10.236 -12.095 -15.244 1.00 0.00 C ATOM 789 CZ TYR A 77 10.930 -10.953 -15.658 1.00 0.00 C ATOM 790 OH TYR A 77 12.310 -10.935 -15.626 1.00 0.00 O ATOM 0 H TYR A 77 7.049 -9.383 -12.967 1.00 0.00 H new ATOM 0 HA TYR A 77 6.326 -9.010 -15.032 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.255 -12.013 -15.550 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.267 -10.737 -16.752 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.284 -8.978 -16.479 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.300 -12.994 -14.956 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.762 -8.947 -16.426 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.780 -12.962 -14.900 1.00 0.00 H new ATOM 0 HH TYR A 77 12.641 -11.794 -15.289 1.00 0.00 H new ATOM 800 N VAL A 78 4.007 -9.843 -13.467 1.00 0.00 N ATOM 801 CA VAL A 78 2.562 -9.923 -13.275 1.00 0.00 C ATOM 802 C VAL A 78 1.970 -8.541 -13.026 1.00 0.00 C ATOM 803 O VAL A 78 0.856 -8.416 -12.517 1.00 0.00 O ATOM 804 CB VAL A 78 2.214 -10.829 -12.094 1.00 0.00 C ATOM 805 CG1 VAL A 78 2.477 -12.281 -12.484 1.00 0.00 C ATOM 806 CG2 VAL A 78 3.072 -10.458 -10.880 1.00 0.00 C ATOM 0 H VAL A 78 4.530 -9.526 -12.651 1.00 0.00 H new ATOM 0 HA VAL A 78 2.138 -10.342 -14.188 1.00 0.00 H new ATOM 0 HB VAL A 78 1.163 -10.701 -11.836 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.231 -12.933 -11.646 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.859 -12.545 -13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.529 -12.404 -12.742 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.818 -11.108 -10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.126 -10.581 -11.128 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.883 -9.421 -10.604 1.00 0.00 H new ATOM 816 N ALA A 79 2.712 -7.499 -13.400 1.00 0.00 N ATOM 817 CA ALA A 79 2.224 -6.145 -13.216 1.00 0.00 C ATOM 818 C ALA A 79 3.000 -5.167 -14.093 1.00 0.00 C ATOM 819 O ALA A 79 4.134 -4.800 -13.782 1.00 0.00 O ATOM 820 CB ALA A 79 2.348 -5.717 -11.753 1.00 0.00 C ATOM 0 H ALA A 79 3.637 -7.570 -13.825 1.00 0.00 H new ATOM 0 HA ALA A 79 1.173 -6.131 -13.505 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.976 -4.699 -11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.762 -6.389 -11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.394 -5.757 -11.450 1.00 0.00 H new ATOM 826 N LYS A 80 2.380 -4.744 -15.188 1.00 0.00 N ATOM 827 CA LYS A 80 3.025 -3.801 -16.096 1.00 0.00 C ATOM 828 C LYS A 80 2.452 -2.402 -15.890 1.00 0.00 C ATOM 829 O LYS A 80 1.452 -2.030 -16.504 1.00 0.00 O ATOM 830 CB LYS A 80 2.814 -4.223 -17.553 1.00 0.00 C ATOM 831 CG LYS A 80 4.053 -3.864 -18.376 1.00 0.00 C ATOM 832 CD LYS A 80 5.147 -4.906 -18.134 1.00 0.00 C ATOM 833 CE LYS A 80 5.019 -6.031 -19.162 1.00 0.00 C ATOM 834 NZ LYS A 80 6.367 -6.595 -19.451 1.00 0.00 N ATOM 0 H LYS A 80 1.443 -5.034 -15.467 1.00 0.00 H new ATOM 0 HA LYS A 80 4.093 -3.796 -15.879 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.627 -5.295 -17.608 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.936 -3.724 -17.963 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.800 -3.826 -19.436 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.412 -2.873 -18.098 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.130 -4.441 -18.209 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.062 -5.310 -17.125 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.360 -6.812 -18.782 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.568 -5.651 -20.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.281 -7.360 -20.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.982 -5.847 -19.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.781 -6.972 -18.575 1.00 0.00 H new ATOM 848 N VAL A 81 3.093 -1.634 -15.013 1.00 0.00 N ATOM 849 CA VAL A 81 2.632 -0.278 -14.725 1.00 0.00 C ATOM 850 C VAL A 81 3.694 0.746 -15.119 1.00 0.00 C ATOM 851 O VAL A 81 4.892 0.523 -14.939 1.00 0.00 O ATOM 852 CB VAL A 81 2.315 -0.120 -13.236 1.00 0.00 C ATOM 853 CG1 VAL A 81 1.617 1.221 -13.005 1.00 0.00 C ATOM 854 CG2 VAL A 81 1.391 -1.254 -12.782 1.00 0.00 C ATOM 0 H VAL A 81 3.923 -1.922 -14.495 1.00 0.00 H new ATOM 0 HA VAL A 81 1.727 -0.104 -15.308 1.00 0.00 H new ATOM 0 HB VAL A 81 3.242 -0.156 -12.664 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.390 1.335 -11.945 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.271 2.032 -13.326 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.691 1.253 -13.579 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.167 -1.139 -11.721 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.464 -1.219 -13.354 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.883 -2.212 -12.947 1.00 0.00 H new ATOM 864 N THR A 82 3.237 1.870 -15.664 1.00 0.00 N ATOM 865 CA THR A 82 4.148 2.932 -16.089 1.00 0.00 C ATOM 866 C THR A 82 3.415 4.268 -16.142 1.00 0.00 C ATOM 867 O THR A 82 2.188 4.315 -16.203 1.00 0.00 O ATOM 868 CB THR A 82 4.717 2.614 -17.477 1.00 0.00 C ATOM 869 OG1 THR A 82 5.288 1.314 -17.463 1.00 0.00 O ATOM 870 CG2 THR A 82 5.788 3.638 -17.851 1.00 0.00 C ATOM 0 H THR A 82 2.249 2.070 -15.822 1.00 0.00 H new ATOM 0 HA THR A 82 4.962 2.996 -15.367 1.00 0.00 H new ATOM 0 HB THR A 82 3.914 2.656 -18.213 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.548 1.081 -16.547 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.186 3.404 -18.838 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.349 4.636 -17.864 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.594 3.606 -17.118 1.00 0.00 H new ATOM 878 N THR A 83 4.182 5.356 -16.119 1.00 0.00 N ATOM 879 CA THR A 83 3.591 6.687 -16.163 1.00 0.00 C ATOM 880 C THR A 83 3.424 7.144 -17.606 1.00 0.00 C ATOM 881 O THR A 83 4.113 6.671 -18.510 1.00 0.00 O ATOM 882 CB THR A 83 4.473 7.693 -15.418 1.00 0.00 C ATOM 883 OG1 THR A 83 3.926 8.996 -15.563 1.00 0.00 O ATOM 884 CG2 THR A 83 5.892 7.666 -15.993 1.00 0.00 C ATOM 0 H THR A 83 5.201 5.342 -16.071 1.00 0.00 H new ATOM 0 HA THR A 83 2.615 6.638 -15.681 1.00 0.00 H new ATOM 0 HB THR A 83 4.511 7.427 -14.362 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.390 9.614 -14.961 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.515 8.384 -15.459 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.312 6.666 -15.880 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.861 7.929 -17.050 1.00 0.00 H new ATOM 892 N GLY A 84 2.495 8.068 -17.808 1.00 0.00 N ATOM 893 CA GLY A 84 2.232 8.587 -19.146 1.00 0.00 C ATOM 894 C GLY A 84 1.316 9.805 -19.090 1.00 0.00 C ATOM 895 O GLY A 84 0.835 10.191 -18.025 1.00 0.00 O ATOM 0 H GLY A 84 1.915 8.471 -17.072 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.172 8.857 -19.627 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.773 7.810 -19.757 1.00 0.00 H new ATOM 899 N GLY A 85 1.080 10.404 -20.254 1.00 0.00 N ATOM 900 CA GLY A 85 0.216 11.579 -20.334 1.00 0.00 C ATOM 901 C GLY A 85 0.973 12.775 -20.899 1.00 0.00 C ATOM 902 O GLY A 85 2.019 12.627 -21.531 1.00 0.00 O ATOM 0 H GLY A 85 1.470 10.100 -21.146 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.646 11.359 -20.964 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.167 11.822 -19.343 1.00 0.00 H new ATOM 906 N THR A 86 0.428 13.963 -20.661 1.00 0.00 N ATOM 907 CA THR A 86 1.047 15.190 -21.140 1.00 0.00 C ATOM 908 C THR A 86 0.758 16.330 -20.171 1.00 0.00 C ATOM 909 O THR A 86 -0.237 17.044 -20.304 1.00 0.00 O ATOM 910 CB THR A 86 0.508 15.561 -22.522 1.00 0.00 C ATOM 911 OG1 THR A 86 0.627 14.441 -23.389 1.00 0.00 O ATOM 912 CG2 THR A 86 1.313 16.731 -23.084 1.00 0.00 C ATOM 0 H THR A 86 -0.438 14.101 -20.141 1.00 0.00 H new ATOM 0 HA THR A 86 2.122 15.026 -21.208 1.00 0.00 H new ATOM 0 HB THR A 86 -0.540 15.849 -22.441 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.281 14.675 -24.275 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.930 16.996 -24.069 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.223 17.588 -22.417 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.361 16.444 -23.168 1.00 0.00 H new ATOM 920 N ALA A 87 1.640 16.489 -19.192 1.00 0.00 N ATOM 921 CA ALA A 87 1.477 17.540 -18.194 1.00 0.00 C ATOM 922 C ALA A 87 2.815 17.863 -17.539 1.00 0.00 C ATOM 923 O ALA A 87 3.805 17.157 -17.730 1.00 0.00 O ATOM 924 CB ALA A 87 0.486 17.107 -17.113 1.00 0.00 C ATOM 0 H ALA A 87 2.470 15.909 -19.067 1.00 0.00 H new ATOM 0 HA ALA A 87 1.095 18.426 -18.700 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.378 17.905 -16.378 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.482 16.900 -17.569 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.855 16.207 -16.621 1.00 0.00 H new ATOM 930 N ALA A 88 2.829 18.947 -16.764 1.00 0.00 N ATOM 931 CA ALA A 88 4.042 19.392 -16.066 1.00 0.00 C ATOM 932 C ALA A 88 3.821 20.809 -15.544 1.00 0.00 C ATOM 933 O ALA A 88 4.671 21.689 -15.682 1.00 0.00 O ATOM 934 CB ALA A 88 5.269 19.368 -17.003 1.00 0.00 C ATOM 0 H ALA A 88 2.013 19.537 -16.601 1.00 0.00 H new ATOM 0 HA ALA A 88 4.239 18.710 -15.239 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.151 19.703 -16.457 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.430 18.353 -17.365 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.093 20.032 -17.850 1.00 0.00 H new ATOM 940 N ALA A 89 2.652 21.019 -14.943 1.00 0.00 N ATOM 941 CA ALA A 89 2.297 22.334 -14.402 1.00 0.00 C ATOM 942 C ALA A 89 0.839 22.358 -13.954 1.00 0.00 C ATOM 943 O ALA A 89 0.481 23.077 -13.026 1.00 0.00 O ATOM 944 CB ALA A 89 2.500 23.437 -15.450 1.00 0.00 C ATOM 0 H ALA A 89 1.937 20.302 -14.818 1.00 0.00 H new ATOM 0 HA ALA A 89 2.951 22.517 -13.549 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.229 24.401 -15.020 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.545 23.458 -15.758 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.870 23.236 -16.317 1.00 0.00 H new ATOM 950 N SER A 90 -0.002 21.574 -14.631 1.00 0.00 N ATOM 951 CA SER A 90 -1.421 21.525 -14.288 1.00 0.00 C ATOM 952 C SER A 90 -1.811 20.128 -13.799 1.00 0.00 C ATOM 953 O SER A 90 -2.005 19.905 -12.604 1.00 0.00 O ATOM 954 CB SER A 90 -2.279 21.893 -15.501 1.00 0.00 C ATOM 955 OG SER A 90 -1.584 21.540 -16.691 1.00 0.00 O ATOM 0 H SER A 90 0.271 20.973 -15.409 1.00 0.00 H new ATOM 0 HA SER A 90 -1.597 22.246 -13.489 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.235 21.372 -15.456 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.497 22.961 -15.496 1.00 0.00 H new ATOM 0 HG SER A 90 -2.131 21.772 -17.470 1.00 0.00 H new ATOM 961 N GLY A 91 -1.925 19.190 -14.737 1.00 0.00 N ATOM 962 CA GLY A 91 -2.296 17.817 -14.395 1.00 0.00 C ATOM 963 C GLY A 91 -2.855 17.086 -15.613 1.00 0.00 C ATOM 964 O GLY A 91 -3.958 17.374 -16.076 1.00 0.00 O ATOM 0 H GLY A 91 -1.768 19.352 -15.732 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.425 17.284 -14.014 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.039 17.824 -13.597 1.00 0.00 H new ATOM 968 N GLY A 92 -2.079 16.134 -16.125 1.00 0.00 N ATOM 969 CA GLY A 92 -2.500 15.359 -17.292 1.00 0.00 C ATOM 970 C GLY A 92 -1.697 14.068 -17.391 1.00 0.00 C ATOM 971 O GLY A 92 -1.043 13.799 -18.398 1.00 0.00 O ATOM 0 H GLY A 92 -1.163 15.881 -15.755 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.563 15.129 -17.219 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.363 15.950 -18.198 1.00 0.00 H new ATOM 975 N CYS A 93 -1.745 13.280 -16.324 1.00 0.00 N ATOM 976 CA CYS A 93 -1.009 12.019 -16.281 1.00 0.00 C ATOM 977 C CYS A 93 -1.931 10.827 -16.500 1.00 0.00 C ATOM 978 O CYS A 93 -2.780 10.516 -15.667 1.00 0.00 O ATOM 979 CB CYS A 93 -0.307 11.872 -14.930 1.00 0.00 C ATOM 980 SG CYS A 93 1.385 12.534 -14.999 1.00 0.00 S ATOM 0 H CYS A 93 -2.281 13.488 -15.482 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.273 12.037 -17.085 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.875 12.396 -14.162 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.279 10.821 -14.643 1.00 0.00 H new ATOM 985 N THR A 94 -1.729 10.156 -17.629 1.00 0.00 N ATOM 986 CA THR A 94 -2.523 8.980 -17.965 1.00 0.00 C ATOM 987 C THR A 94 -1.697 7.721 -17.711 1.00 0.00 C ATOM 988 O THR A 94 -1.045 7.197 -18.614 1.00 0.00 O ATOM 989 CB THR A 94 -2.968 9.015 -19.443 1.00 0.00 C ATOM 990 OG1 THR A 94 -2.503 10.211 -20.058 1.00 0.00 O ATOM 991 CG2 THR A 94 -4.495 8.966 -19.529 1.00 0.00 C ATOM 0 H THR A 94 -1.025 10.405 -18.324 1.00 0.00 H new ATOM 0 HA THR A 94 -3.415 8.975 -17.338 1.00 0.00 H new ATOM 0 HB THR A 94 -2.547 8.152 -19.958 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.786 10.228 -20.996 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.802 8.991 -20.575 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.856 8.047 -19.067 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.917 9.825 -19.007 1.00 0.00 H new ATOM 999 N ILE A 95 -1.729 7.249 -16.470 1.00 0.00 N ATOM 1000 CA ILE A 95 -0.975 6.055 -16.099 1.00 0.00 C ATOM 1001 C ILE A 95 -1.732 4.811 -16.545 1.00 0.00 C ATOM 1002 O ILE A 95 -2.957 4.734 -16.442 1.00 0.00 O ATOM 1003 CB ILE A 95 -0.740 6.027 -14.575 1.00 0.00 C ATOM 1004 CG1 ILE A 95 0.166 7.198 -14.199 1.00 0.00 C ATOM 1005 CG2 ILE A 95 -0.055 4.723 -14.135 1.00 0.00 C ATOM 1006 CD1 ILE A 95 -0.670 8.464 -14.047 1.00 0.00 C ATOM 0 H ILE A 95 -2.263 7.669 -15.709 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.005 6.074 -16.596 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.707 6.096 -14.078 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.689 6.982 -13.267 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.927 7.343 -14.966 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.095 4.737 -13.056 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.683 3.874 -14.403 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.910 4.632 -14.634 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.022 9.298 -13.779 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.173 8.683 -14.989 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.414 8.317 -13.264 1.00 0.00 H new ATOM 1018 N VAL A 96 -0.980 3.838 -17.043 1.00 0.00 N ATOM 1019 CA VAL A 96 -1.574 2.593 -17.509 1.00 0.00 C ATOM 1020 C VAL A 96 -0.942 1.404 -16.783 1.00 0.00 C ATOM 1021 O VAL A 96 0.262 1.164 -16.880 1.00 0.00 O ATOM 1022 CB VAL A 96 -1.381 2.444 -19.030 1.00 0.00 C ATOM 1023 CG1 VAL A 96 0.113 2.387 -19.372 1.00 0.00 C ATOM 1024 CG2 VAL A 96 -2.063 1.160 -19.517 1.00 0.00 C ATOM 0 H VAL A 96 0.035 3.886 -17.134 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.642 2.614 -17.291 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.829 3.306 -19.525 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.236 2.282 -20.450 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.598 3.305 -19.040 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.569 1.534 -18.870 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.923 1.060 -20.593 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.623 0.300 -19.012 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.129 1.206 -19.292 1.00 0.00 H new ATOM 1034 N ALA A 97 -1.775 0.662 -16.062 1.00 0.00 N ATOM 1035 CA ALA A 97 -1.298 -0.506 -15.329 1.00 0.00 C ATOM 1036 C ALA A 97 -1.717 -1.776 -16.060 1.00 0.00 C ATOM 1037 O ALA A 97 -2.623 -1.756 -16.890 1.00 0.00 O ATOM 1038 CB ALA A 97 -1.871 -0.527 -13.911 1.00 0.00 C ATOM 0 H ALA A 97 -2.774 0.845 -15.969 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.211 -0.454 -15.268 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.502 -1.406 -13.383 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.560 0.373 -13.380 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.959 -0.562 -13.959 1.00 0.00 H new ATOM 1044 N THR A 98 -1.045 -2.881 -15.754 1.00 0.00 N ATOM 1045 CA THR A 98 -1.368 -4.148 -16.409 1.00 0.00 C ATOM 1046 C THR A 98 -1.127 -5.328 -15.475 1.00 0.00 C ATOM 1047 O THR A 98 -0.555 -5.180 -14.399 1.00 0.00 O ATOM 1048 CB THR A 98 -0.507 -4.328 -17.661 1.00 0.00 C ATOM 1049 OG1 THR A 98 -0.195 -3.054 -18.207 1.00 0.00 O ATOM 1050 CG2 THR A 98 -1.267 -5.155 -18.698 1.00 0.00 C ATOM 0 H THR A 98 -0.288 -2.929 -15.072 1.00 0.00 H new ATOM 0 HA THR A 98 -2.423 -4.119 -16.681 1.00 0.00 H new ATOM 0 HB THR A 98 0.414 -4.847 -17.393 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.395 -2.570 -17.592 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.649 -5.280 -19.587 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.504 -6.133 -18.280 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.190 -4.642 -18.967 1.00 0.00 H new ATOM 1058 N MET A 99 -1.577 -6.502 -15.914 1.00 0.00 N ATOM 1059 CA MET A 99 -1.414 -7.739 -15.138 1.00 0.00 C ATOM 1060 C MET A 99 -1.237 -8.900 -16.104 1.00 0.00 C ATOM 1061 O MET A 99 -2.204 -9.366 -16.710 1.00 0.00 O ATOM 1062 CB MET A 99 -2.643 -8.023 -14.263 1.00 0.00 C ATOM 1063 CG MET A 99 -3.182 -6.727 -13.649 1.00 0.00 C ATOM 1064 SD MET A 99 -4.084 -7.108 -12.127 1.00 0.00 S ATOM 1065 CE MET A 99 -4.266 -5.407 -11.539 1.00 0.00 C ATOM 0 H MET A 99 -2.059 -6.627 -16.804 1.00 0.00 H new ATOM 0 HA MET A 99 -0.545 -7.623 -14.490 1.00 0.00 H new ATOM 0 HB2 MET A 99 -3.420 -8.498 -14.862 1.00 0.00 H new ATOM 0 HB3 MET A 99 -2.378 -8.724 -13.471 1.00 0.00 H new ATOM 0 HG2 MET A 99 -2.360 -6.044 -13.435 1.00 0.00 H new ATOM 0 HG3 MET A 99 -3.839 -6.223 -14.357 1.00 0.00 H new ATOM 0 HE1 MET A 99 -4.867 -5.399 -10.629 1.00 0.00 H new ATOM 0 HE2 MET A 99 -3.282 -4.988 -11.328 1.00 0.00 H new ATOM 0 HE3 MET A 99 -4.759 -4.808 -12.305 1.00 0.00 H new ATOM 1075 N LYS A 100 0.002 -9.351 -16.275 1.00 0.00 N ATOM 1076 CA LYS A 100 0.263 -10.446 -17.213 1.00 0.00 C ATOM 1077 C LYS A 100 0.727 -11.714 -16.504 1.00 0.00 C ATOM 1078 O LYS A 100 1.721 -11.720 -15.786 1.00 0.00 O ATOM 1079 CB LYS A 100 1.317 -10.021 -18.229 1.00 0.00 C ATOM 1080 CG LYS A 100 0.715 -8.968 -19.166 1.00 0.00 C ATOM 1081 CD LYS A 100 0.238 -9.642 -20.455 1.00 0.00 C ATOM 1082 CE LYS A 100 1.328 -9.535 -21.523 1.00 0.00 C ATOM 1083 NZ LYS A 100 0.966 -10.388 -22.691 1.00 0.00 N ATOM 0 H LYS A 100 0.824 -8.989 -15.792 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.677 -10.670 -17.717 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.190 -9.614 -17.718 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.657 -10.884 -18.802 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.119 -8.465 -18.676 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.458 -8.204 -19.396 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.003 -10.689 -20.264 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.678 -9.169 -20.807 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.442 -8.498 -21.838 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.287 -9.851 -21.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.707 -10.315 -23.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.878 -11.378 -22.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.060 -10.067 -23.088 1.00 0.00 H new ATOM 1097 N ALA A 101 -0.010 -12.798 -16.736 1.00 0.00 N ATOM 1098 CA ALA A 101 0.320 -14.088 -16.131 1.00 0.00 C ATOM 1099 C ALA A 101 0.222 -14.013 -14.608 1.00 0.00 C ATOM 1100 O ALA A 101 0.886 -14.765 -13.895 1.00 0.00 O ATOM 1101 CB ALA A 101 1.735 -14.525 -16.523 1.00 0.00 C ATOM 0 H ALA A 101 -0.835 -12.810 -17.335 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.398 -14.820 -16.502 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.960 -15.487 -16.062 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.800 -14.618 -17.607 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.454 -13.781 -16.179 1.00 0.00 H new ATOM 1107 N SER A 102 -0.617 -13.104 -14.117 1.00 0.00 N ATOM 1108 CA SER A 102 -0.794 -12.949 -12.676 1.00 0.00 C ATOM 1109 C SER A 102 -1.804 -13.996 -12.161 1.00 0.00 C ATOM 1110 O SER A 102 -1.803 -15.134 -12.631 1.00 0.00 O ATOM 1111 CB SER A 102 -1.266 -11.520 -12.373 1.00 0.00 C ATOM 1112 OG SER A 102 -0.937 -11.191 -11.031 1.00 0.00 O ATOM 0 H SER A 102 -1.178 -12.471 -14.687 1.00 0.00 H new ATOM 0 HA SER A 102 0.153 -13.114 -12.162 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.794 -10.816 -13.058 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.342 -11.440 -12.526 1.00 0.00 H new ATOM 0 HG SER A 102 -1.236 -10.278 -10.835 1.00 0.00 H new ATOM 1118 N ASP A 103 -2.664 -13.626 -11.201 1.00 0.00 N ATOM 1119 CA ASP A 103 -3.644 -14.573 -10.674 1.00 0.00 C ATOM 1120 C ASP A 103 -4.757 -13.835 -9.939 1.00 0.00 C ATOM 1121 O ASP A 103 -5.321 -14.339 -8.968 1.00 0.00 O ATOM 1122 CB ASP A 103 -2.974 -15.555 -9.710 1.00 0.00 C ATOM 1123 CG ASP A 103 -3.690 -16.899 -9.773 1.00 0.00 C ATOM 1124 OD1 ASP A 103 -4.911 -16.898 -9.774 1.00 0.00 O ATOM 1125 OD2 ASP A 103 -3.009 -17.910 -9.820 1.00 0.00 O ATOM 0 H ASP A 103 -2.698 -12.696 -10.784 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.067 -15.122 -11.515 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -1.923 -15.678 -9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -3.005 -15.162 -8.694 1.00 0.00 H new ATOM 1130 N VAL A 104 -5.068 -12.632 -10.415 1.00 0.00 N ATOM 1131 CA VAL A 104 -6.118 -11.827 -9.798 1.00 0.00 C ATOM 1132 C VAL A 104 -7.088 -11.318 -10.859 1.00 0.00 C ATOM 1133 O VAL A 104 -6.679 -10.754 -11.875 1.00 0.00 O ATOM 1134 CB VAL A 104 -5.514 -10.632 -9.060 1.00 0.00 C ATOM 1135 CG1 VAL A 104 -4.693 -11.129 -7.869 1.00 0.00 C ATOM 1136 CG2 VAL A 104 -4.607 -9.850 -10.013 1.00 0.00 C ATOM 0 H VAL A 104 -4.613 -12.197 -11.218 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.653 -12.457 -9.087 1.00 0.00 H new ATOM 0 HB VAL A 104 -6.314 -9.983 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.262 -10.277 -7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.338 -11.687 -7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.893 -11.778 -8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -4.176 -8.998 -9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.807 -10.499 -10.369 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.191 -9.495 -10.862 1.00 0.00 H new ATOM 1146 N ALA A 105 -8.379 -11.526 -10.614 1.00 0.00 N ATOM 1147 CA ALA A 105 -9.409 -11.088 -11.555 1.00 0.00 C ATOM 1148 C ALA A 105 -9.246 -11.806 -12.891 1.00 0.00 C ATOM 1149 O ALA A 105 -8.143 -12.206 -13.265 1.00 0.00 O ATOM 1150 CB ALA A 105 -9.327 -9.577 -11.785 1.00 0.00 C ATOM 0 H ALA A 105 -8.736 -11.991 -9.779 1.00 0.00 H new ATOM 0 HA ALA A 105 -10.381 -11.332 -11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -10.102 -9.273 -12.488 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -9.472 -9.056 -10.838 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.348 -9.324 -12.192 1.00 0.00 H new ATOM 1156 N THR A 106 -10.362 -11.953 -13.610 1.00 0.00 N ATOM 1157 CA THR A 106 -10.361 -12.620 -14.914 1.00 0.00 C ATOM 1158 C THR A 106 -9.835 -14.059 -14.787 1.00 0.00 C ATOM 1159 O THR A 106 -9.088 -14.376 -13.864 1.00 0.00 O ATOM 1160 CB THR A 106 -9.512 -11.845 -15.945 1.00 0.00 C ATOM 1161 OG1 THR A 106 -8.875 -10.735 -15.325 1.00 0.00 O ATOM 1162 CG2 THR A 106 -10.410 -11.334 -17.075 1.00 0.00 C ATOM 0 H THR A 106 -11.278 -11.619 -13.311 1.00 0.00 H new ATOM 0 HA THR A 106 -11.392 -12.645 -15.267 1.00 0.00 H new ATOM 0 HB THR A 106 -8.755 -12.518 -16.347 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.265 -10.310 -15.963 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.807 -10.788 -17.800 1.00 0.00 H new ATOM 0 HG22 THR A 106 -10.892 -12.179 -17.567 1.00 0.00 H new ATOM 0 HG23 THR A 106 -11.171 -10.671 -16.663 1.00 0.00 H new ATOM 1170 N PRO A 107 -10.223 -14.954 -15.712 1.00 0.00 N ATOM 1171 CA PRO A 107 -9.773 -16.356 -15.672 1.00 0.00 C ATOM 1172 C PRO A 107 -8.400 -16.542 -16.314 1.00 0.00 C ATOM 1173 O PRO A 107 -7.631 -17.423 -15.929 1.00 0.00 O ATOM 1174 CB PRO A 107 -10.849 -17.064 -16.485 1.00 0.00 C ATOM 1175 CG PRO A 107 -11.474 -16.022 -17.406 1.00 0.00 C ATOM 1176 CD PRO A 107 -11.125 -14.640 -16.843 1.00 0.00 C ATOM 0 HA PRO A 107 -9.656 -16.734 -14.656 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.419 -17.881 -17.064 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.603 -17.500 -15.829 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.092 -16.130 -18.421 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.555 -16.154 -17.456 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.634 -14.014 -17.588 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -12.014 -14.104 -16.512 1.00 0.00 H new ATOM 1184 N LEU A 108 -8.109 -15.700 -17.301 1.00 0.00 N ATOM 1185 CA LEU A 108 -6.829 -15.773 -18.001 1.00 0.00 C ATOM 1186 C LEU A 108 -5.829 -14.783 -17.403 1.00 0.00 C ATOM 1187 O LEU A 108 -4.907 -15.170 -16.684 1.00 0.00 O ATOM 1188 CB LEU A 108 -7.015 -15.466 -19.488 1.00 0.00 C ATOM 1189 CG LEU A 108 -7.673 -16.585 -20.303 1.00 0.00 C ATOM 1190 CD1 LEU A 108 -8.445 -15.979 -21.477 1.00 0.00 C ATOM 1191 CD2 LEU A 108 -6.591 -17.526 -20.837 1.00 0.00 C ATOM 0 H LEU A 108 -8.735 -14.966 -17.632 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.441 -16.785 -17.886 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.619 -14.564 -19.585 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.040 -15.245 -19.923 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.361 -17.142 -19.667 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.912 -16.776 -22.055 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.215 -15.307 -21.098 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.759 -15.422 -22.115 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.056 -18.323 -21.417 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.904 -16.967 -21.473 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.041 -17.959 -20.002 1.00 0.00 H new ATOM 1203 N ARG A 109 -6.018 -13.503 -17.713 1.00 0.00 N ATOM 1204 CA ARG A 109 -5.125 -12.463 -17.207 1.00 0.00 C ATOM 1205 C ARG A 109 -5.930 -11.265 -16.713 1.00 0.00 C ATOM 1206 O ARG A 109 -7.107 -11.115 -17.040 1.00 0.00 O ATOM 1207 CB ARG A 109 -4.170 -11.990 -18.307 1.00 0.00 C ATOM 1208 CG ARG A 109 -3.336 -13.169 -18.813 1.00 0.00 C ATOM 1209 CD ARG A 109 -2.806 -12.853 -20.213 1.00 0.00 C ATOM 1210 NE ARG A 109 -2.325 -14.070 -20.872 1.00 0.00 N ATOM 1211 CZ ARG A 109 -1.122 -14.599 -20.607 1.00 0.00 C ATOM 1212 NH1 ARG A 109 -0.311 -14.045 -19.736 1.00 0.00 N ATOM 1213 NH2 ARG A 109 -0.749 -15.684 -21.228 1.00 0.00 N ATOM 0 H ARG A 109 -6.774 -13.162 -18.307 1.00 0.00 H new ATOM 0 HA ARG A 109 -4.552 -12.888 -16.383 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.736 -11.554 -19.130 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.515 -11.209 -17.921 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.506 -13.360 -18.133 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.943 -14.074 -18.838 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -3.595 -12.397 -20.811 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.997 -12.126 -20.145 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.926 -14.530 -21.556 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -0.592 -13.196 -19.246 1.00 0.00 H new ATOM 0 HH12 ARG A 109 0.600 -14.464 -19.549 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.371 -16.122 -21.908 1.00 0.00 H new ATOM 0 HH22 ARG A 109 0.164 -16.094 -21.034 1.00 0.00 H new ATOM 1227 N GLY A 110 -5.281 -10.409 -15.928 1.00 0.00 N ATOM 1228 CA GLY A 110 -5.948 -9.222 -15.401 1.00 0.00 C ATOM 1229 C GLY A 110 -6.200 -8.206 -16.513 1.00 0.00 C ATOM 1230 O GLY A 110 -7.150 -7.425 -16.447 1.00 0.00 O ATOM 0 H GLY A 110 -4.306 -10.513 -15.646 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -6.894 -9.505 -14.939 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -5.335 -8.770 -14.621 1.00 0.00 H new ATOM 1234 N LYS A 111 -5.328 -8.221 -17.534 1.00 0.00 N ATOM 1235 CA LYS A 111 -5.435 -7.302 -18.674 1.00 0.00 C ATOM 1236 C LYS A 111 -4.813 -5.957 -18.311 1.00 0.00 C ATOM 1237 O LYS A 111 -4.063 -5.855 -17.340 1.00 0.00 O ATOM 1238 CB LYS A 111 -6.896 -7.102 -19.132 1.00 0.00 C ATOM 1239 CG LYS A 111 -7.619 -8.455 -19.177 1.00 0.00 C ATOM 1240 CD LYS A 111 -8.455 -8.554 -20.457 1.00 0.00 C ATOM 1241 CE LYS A 111 -9.498 -9.662 -20.302 1.00 0.00 C ATOM 1242 NZ LYS A 111 -8.817 -10.987 -20.282 1.00 0.00 N ATOM 0 H LYS A 111 -4.538 -8.864 -17.591 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.894 -7.749 -19.508 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.411 -6.427 -18.449 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.917 -6.636 -20.117 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.893 -9.267 -19.142 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.261 -8.564 -18.303 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.947 -7.602 -20.657 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -7.810 -8.764 -21.310 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.063 -9.518 -19.381 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.213 -9.621 -21.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.530 -11.744 -20.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.229 -11.088 -21.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.216 -11.056 -19.436 1.00 0.00 H new ATOM 1256 N THR A 112 -5.109 -4.930 -19.100 1.00 0.00 N ATOM 1257 CA THR A 112 -4.539 -3.609 -18.838 1.00 0.00 C ATOM 1258 C THR A 112 -5.593 -2.658 -18.274 1.00 0.00 C ATOM 1259 O THR A 112 -6.796 -2.859 -18.439 1.00 0.00 O ATOM 1260 CB THR A 112 -3.952 -2.995 -20.118 1.00 0.00 C ATOM 1261 OG1 THR A 112 -5.007 -2.545 -20.953 1.00 0.00 O ATOM 1262 CG2 THR A 112 -3.111 -4.030 -20.876 1.00 0.00 C ATOM 0 H THR A 112 -5.727 -4.981 -19.910 1.00 0.00 H new ATOM 0 HA THR A 112 -3.744 -3.745 -18.105 1.00 0.00 H new ATOM 0 HB THR A 112 -3.313 -2.157 -19.842 1.00 0.00 H new ATOM 0 HG1 THR A 112 -4.633 -2.152 -21.769 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.704 -3.577 -21.780 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.293 -4.370 -20.241 1.00 0.00 H new ATOM 0 HG23 THR A 112 -3.738 -4.880 -21.147 1.00 0.00 H new ATOM 1270 N LEU A 113 -5.108 -1.612 -17.613 1.00 0.00 N ATOM 1271 CA LEU A 113 -5.977 -0.601 -17.017 1.00 0.00 C ATOM 1272 C LEU A 113 -5.293 0.757 -17.111 1.00 0.00 C ATOM 1273 O LEU A 113 -4.072 0.836 -17.236 1.00 0.00 O ATOM 1274 CB LEU A 113 -6.256 -0.928 -15.546 1.00 0.00 C ATOM 1275 CG LEU A 113 -7.543 -1.715 -15.289 1.00 0.00 C ATOM 1276 CD1 LEU A 113 -7.261 -3.213 -15.418 1.00 0.00 C ATOM 1277 CD2 LEU A 113 -8.052 -1.410 -13.879 1.00 0.00 C ATOM 0 H LEU A 113 -4.112 -1.441 -17.476 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.924 -0.585 -17.556 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.415 -1.498 -15.151 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.301 0.005 -14.985 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.299 -1.425 -16.019 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -8.178 -3.773 -15.235 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.898 -3.430 -16.423 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -6.506 -3.505 -14.688 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -8.969 -1.970 -13.694 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -7.296 -1.700 -13.149 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.254 -0.343 -13.788 1.00 0.00 H new ATOM 1289 N THR A 114 -6.081 1.826 -17.060 1.00 0.00 N ATOM 1290 CA THR A 114 -5.506 3.164 -17.154 1.00 0.00 C ATOM 1291 C THR A 114 -6.346 4.191 -16.401 1.00 0.00 C ATOM 1292 O THR A 114 -7.574 4.111 -16.362 1.00 0.00 O ATOM 1293 CB THR A 114 -5.399 3.594 -18.618 1.00 0.00 C ATOM 1294 OG1 THR A 114 -4.858 2.529 -19.385 1.00 0.00 O ATOM 1295 CG2 THR A 114 -4.489 4.819 -18.728 1.00 0.00 C ATOM 0 H THR A 114 -7.095 1.796 -16.957 1.00 0.00 H new ATOM 0 HA THR A 114 -4.515 3.122 -16.702 1.00 0.00 H new ATOM 0 HB THR A 114 -6.390 3.846 -18.995 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.791 2.803 -20.323 1.00 0.00 H new ATOM 0 HG21 THR A 114 -4.414 5.124 -19.772 1.00 0.00 H new ATOM 0 HG22 THR A 114 -4.907 5.636 -18.140 1.00 0.00 H new ATOM 0 HG23 THR A 114 -3.497 4.571 -18.350 1.00 0.00 H new ATOM 1303 N LEU A 115 -5.655 5.166 -15.818 1.00 0.00 N ATOM 1304 CA LEU A 115 -6.316 6.236 -15.073 1.00 0.00 C ATOM 1305 C LEU A 115 -5.705 7.578 -15.467 1.00 0.00 C ATOM 1306 O LEU A 115 -4.608 7.627 -16.023 1.00 0.00 O ATOM 1307 CB LEU A 115 -6.149 6.026 -13.566 1.00 0.00 C ATOM 1308 CG LEU A 115 -7.256 5.206 -12.899 1.00 0.00 C ATOM 1309 CD1 LEU A 115 -6.766 4.689 -11.545 1.00 0.00 C ATOM 1310 CD2 LEU A 115 -8.488 6.090 -12.691 1.00 0.00 C ATOM 0 H LEU A 115 -4.638 5.238 -15.846 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.379 6.225 -15.313 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.194 5.532 -13.387 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.099 7.001 -13.082 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.516 4.361 -13.537 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.555 4.105 -11.071 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.888 4.060 -11.692 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.505 5.533 -10.906 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.278 5.508 -12.216 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.226 6.935 -12.054 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.839 6.458 -13.655 1.00 0.00 H new ATOM 1322 N THR A 116 -6.417 8.667 -15.184 1.00 0.00 N ATOM 1323 CA THR A 116 -5.915 9.995 -15.534 1.00 0.00 C ATOM 1324 C THR A 116 -5.961 10.938 -14.333 1.00 0.00 C ATOM 1325 O THR A 116 -6.765 10.764 -13.420 1.00 0.00 O ATOM 1326 CB THR A 116 -6.747 10.599 -16.666 1.00 0.00 C ATOM 1327 OG1 THR A 116 -6.861 9.656 -17.723 1.00 0.00 O ATOM 1328 CG2 THR A 116 -6.068 11.868 -17.181 1.00 0.00 C ATOM 0 H THR A 116 -7.326 8.659 -14.722 1.00 0.00 H new ATOM 0 HA THR A 116 -4.880 9.878 -15.856 1.00 0.00 H new ATOM 0 HB THR A 116 -7.740 10.849 -16.294 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.515 8.968 -17.479 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.662 12.297 -17.988 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.983 12.590 -16.369 1.00 0.00 H new ATOM 0 HG23 THR A 116 -5.074 11.623 -17.554 1.00 0.00 H new ATOM 1336 N LEU A 117 -5.088 11.946 -14.353 1.00 0.00 N ATOM 1337 CA LEU A 117 -5.033 12.926 -13.270 1.00 0.00 C ATOM 1338 C LEU A 117 -5.246 14.332 -13.819 1.00 0.00 C ATOM 1339 O LEU A 117 -4.528 14.778 -14.715 1.00 0.00 O ATOM 1340 CB LEU A 117 -3.672 12.881 -12.567 1.00 0.00 C ATOM 1341 CG LEU A 117 -3.687 13.347 -11.100 1.00 0.00 C ATOM 1342 CD1 LEU A 117 -2.843 12.402 -10.240 1.00 0.00 C ATOM 1343 CD2 LEU A 117 -3.120 14.771 -10.993 1.00 0.00 C ATOM 0 H LEU A 117 -4.414 12.104 -15.102 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.821 12.679 -12.558 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.293 11.860 -12.605 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.971 13.502 -13.124 1.00 0.00 H new ATOM 0 HG LEU A 117 -4.717 13.339 -10.744 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.860 12.740 -9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.252 11.393 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.816 12.399 -10.604 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.135 15.091 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.094 14.783 -11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.728 15.451 -11.590 1.00 0.00 H new ATOM 1355 N GLY A 118 -6.234 15.028 -13.270 1.00 0.00 N ATOM 1356 CA GLY A 118 -6.526 16.390 -13.710 1.00 0.00 C ATOM 1357 C GLY A 118 -6.661 17.320 -12.513 1.00 0.00 C ATOM 1358 O GLY A 118 -7.720 17.903 -12.275 1.00 0.00 O ATOM 0 H GLY A 118 -6.841 14.679 -12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.731 16.745 -14.366 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -7.448 16.401 -14.292 1.00 0.00 H new ATOM 1362 N ASN A 119 -5.575 17.454 -11.761 1.00 0.00 N ATOM 1363 CA ASN A 119 -5.578 18.315 -10.585 1.00 0.00 C ATOM 1364 C ASN A 119 -5.412 19.777 -10.991 1.00 0.00 C ATOM 1365 O ASN A 119 -5.920 20.682 -10.329 1.00 0.00 O ATOM 1366 CB ASN A 119 -4.445 17.922 -9.629 1.00 0.00 C ATOM 1367 CG ASN A 119 -3.101 18.014 -10.347 1.00 0.00 C ATOM 1368 OD1 ASN A 119 -2.924 17.453 -11.426 1.00 0.00 O ATOM 1369 ND2 ASN A 119 -2.138 18.708 -9.809 1.00 0.00 N ATOM 0 H ASN A 119 -4.689 16.982 -11.942 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.535 18.190 -10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -4.448 18.579 -8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.602 16.907 -9.263 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -1.238 18.785 -10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.284 19.174 -8.913 1.00 0.00 H new ATOM 1376 N ALA A 120 -4.686 19.998 -12.094 1.00 0.00 N ATOM 1377 CA ALA A 120 -4.439 21.358 -12.605 1.00 0.00 C ATOM 1378 C ALA A 120 -3.394 22.112 -11.767 1.00 0.00 C ATOM 1379 O ALA A 120 -3.053 23.253 -12.077 1.00 0.00 O ATOM 1380 CB ALA A 120 -5.728 22.182 -12.624 1.00 0.00 C ATOM 0 H ALA A 120 -4.259 19.257 -12.650 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.058 21.236 -13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -5.516 23.181 -13.005 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.461 21.696 -13.268 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.127 22.257 -11.612 1.00 0.00 H new ATOM 1386 N ASP A 121 -2.887 21.475 -10.711 1.00 0.00 N ATOM 1387 CA ASP A 121 -1.890 22.106 -9.852 1.00 0.00 C ATOM 1388 C ASP A 121 -2.435 23.399 -9.248 1.00 0.00 C ATOM 1389 O ASP A 121 -1.683 24.324 -8.937 1.00 0.00 O ATOM 1390 CB ASP A 121 -0.619 22.415 -10.646 1.00 0.00 C ATOM 1391 CG ASP A 121 0.570 22.496 -9.695 1.00 0.00 C ATOM 1392 OD1 ASP A 121 0.387 22.980 -8.590 1.00 0.00 O ATOM 1393 OD2 ASP A 121 1.645 22.073 -10.085 1.00 0.00 O ATOM 0 H ASP A 121 -3.149 20.529 -10.433 1.00 0.00 H new ATOM 0 HA ASP A 121 -1.654 21.410 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -0.448 21.641 -11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -0.733 23.357 -11.183 1.00 0.00 H new ATOM 1398 N LYS A 122 -3.757 23.451 -9.082 1.00 0.00 N ATOM 1399 CA LYS A 122 -4.407 24.629 -8.510 1.00 0.00 C ATOM 1400 C LYS A 122 -5.921 24.424 -8.466 1.00 0.00 C ATOM 1401 O LYS A 122 -6.698 25.339 -8.738 1.00 0.00 O ATOM 1402 CB LYS A 122 -4.092 25.880 -9.338 1.00 0.00 C ATOM 1403 CG LYS A 122 -4.425 25.619 -10.810 1.00 0.00 C ATOM 1404 CD LYS A 122 -4.976 26.897 -11.445 1.00 0.00 C ATOM 1405 CE LYS A 122 -4.513 26.987 -12.901 1.00 0.00 C ATOM 1406 NZ LYS A 122 -5.314 28.022 -13.614 1.00 0.00 N ATOM 0 H LYS A 122 -4.395 22.696 -9.334 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.025 24.768 -7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.669 26.728 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -3.039 26.142 -9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.532 25.292 -11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.157 24.816 -10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.065 26.898 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.632 27.769 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.454 27.240 -12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.629 26.020 -13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.000 28.083 -14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.321 27.762 -13.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.181 28.944 -13.151 1.00 0.00 H new ATOM 1420 N GLY A 123 -6.328 23.205 -8.118 1.00 0.00 N ATOM 1421 CA GLY A 123 -7.750 22.880 -8.040 1.00 0.00 C ATOM 1422 C GLY A 123 -8.037 22.001 -6.828 1.00 0.00 C ATOM 1423 O GLY A 123 -8.113 22.484 -5.698 1.00 0.00 O ATOM 0 H GLY A 123 -5.701 22.434 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.335 23.798 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.061 22.366 -8.950 1.00 0.00 H new ATOM 1427 N SER A 124 -8.195 20.703 -7.074 1.00 0.00 N ATOM 1428 CA SER A 124 -8.476 19.765 -5.990 1.00 0.00 C ATOM 1429 C SER A 124 -8.379 18.322 -6.481 1.00 0.00 C ATOM 1430 O SER A 124 -9.107 17.445 -6.016 1.00 0.00 O ATOM 1431 CB SER A 124 -9.876 20.007 -5.426 1.00 0.00 C ATOM 1432 OG SER A 124 -9.891 19.667 -4.046 1.00 0.00 O ATOM 0 H SER A 124 -8.134 20.281 -8.001 1.00 0.00 H new ATOM 0 HA SER A 124 -7.734 19.927 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.158 21.051 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.608 19.408 -5.968 1.00 0.00 H new ATOM 0 HG SER A 124 -10.787 19.822 -3.681 1.00 0.00 H new ATOM 1438 N TYR A 125 -7.463 18.083 -7.421 1.00 0.00 N ATOM 1439 CA TYR A 125 -7.268 16.742 -7.966 1.00 0.00 C ATOM 1440 C TYR A 125 -8.521 16.246 -8.678 1.00 0.00 C ATOM 1441 O TYR A 125 -9.642 16.390 -8.189 1.00 0.00 O ATOM 1442 CB TYR A 125 -6.901 15.752 -6.861 1.00 0.00 C ATOM 1443 CG TYR A 125 -5.622 16.192 -6.191 1.00 0.00 C ATOM 1444 CD1 TYR A 125 -5.659 17.147 -5.167 1.00 0.00 C ATOM 1445 CD2 TYR A 125 -4.398 15.645 -6.594 1.00 0.00 C ATOM 1446 CE1 TYR A 125 -4.471 17.554 -4.547 1.00 0.00 C ATOM 1447 CE2 TYR A 125 -3.211 16.052 -5.974 1.00 0.00 C ATOM 1448 CZ TYR A 125 -3.247 17.007 -4.950 1.00 0.00 C ATOM 1449 OH TYR A 125 -2.077 17.408 -4.339 1.00 0.00 O ATOM 0 H TYR A 125 -6.850 18.795 -7.817 1.00 0.00 H new ATOM 0 HA TYR A 125 -6.451 16.805 -8.684 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -7.706 15.694 -6.128 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -6.779 14.753 -7.280 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -6.603 17.569 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.370 14.909 -7.384 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -4.499 18.290 -3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -2.267 15.630 -6.285 1.00 0.00 H new ATOM 0 HH TYR A 125 -1.320 16.930 -4.737 1.00 0.00 H new ATOM 1459 N THR A 126 -8.303 15.639 -9.837 1.00 0.00 N ATOM 1460 CA THR A 126 -9.395 15.087 -10.632 1.00 0.00 C ATOM 1461 C THR A 126 -8.968 13.734 -11.181 1.00 0.00 C ATOM 1462 O THR A 126 -7.778 13.416 -11.202 1.00 0.00 O ATOM 1463 CB THR A 126 -9.750 16.016 -11.795 1.00 0.00 C ATOM 1464 OG1 THR A 126 -9.935 17.337 -11.304 1.00 0.00 O ATOM 1465 CG2 THR A 126 -11.038 15.533 -12.463 1.00 0.00 C ATOM 0 H THR A 126 -7.378 15.516 -10.249 1.00 0.00 H new ATOM 0 HA THR A 126 -10.274 14.981 -9.997 1.00 0.00 H new ATOM 0 HB THR A 126 -8.941 16.009 -12.526 1.00 0.00 H new ATOM 0 HG1 THR A 126 -9.062 17.767 -11.185 1.00 0.00 H new ATOM 0 HG21 THR A 126 -11.289 16.196 -13.291 1.00 0.00 H new ATOM 0 HG22 THR A 126 -10.895 14.520 -12.840 1.00 0.00 H new ATOM 0 HG23 THR A 126 -11.849 15.538 -11.735 1.00 0.00 H new ATOM 1473 N TRP A 127 -9.935 12.927 -11.606 1.00 0.00 N ATOM 1474 CA TRP A 127 -9.602 11.604 -12.122 1.00 0.00 C ATOM 1475 C TRP A 127 -10.460 11.211 -13.322 1.00 0.00 C ATOM 1476 O TRP A 127 -11.596 11.658 -13.478 1.00 0.00 O ATOM 1477 CB TRP A 127 -9.789 10.555 -11.028 1.00 0.00 C ATOM 1478 CG TRP A 127 -8.679 10.678 -10.043 1.00 0.00 C ATOM 1479 CD1 TRP A 127 -8.746 11.357 -8.877 1.00 0.00 C ATOM 1480 CD2 TRP A 127 -7.337 10.129 -10.123 1.00 0.00 C ATOM 1481 NE1 TRP A 127 -7.526 11.254 -8.231 1.00 0.00 N ATOM 1482 CE2 TRP A 127 -6.624 10.506 -8.963 1.00 0.00 C ATOM 1483 CE3 TRP A 127 -6.676 9.343 -11.082 1.00 0.00 C ATOM 1484 CZ2 TRP A 127 -5.300 10.120 -8.761 1.00 0.00 C ATOM 1485 CZ3 TRP A 127 -5.344 8.954 -10.885 1.00 0.00 C ATOM 1486 CH2 TRP A 127 -4.657 9.342 -9.727 1.00 0.00 C ATOM 0 H TRP A 127 -10.929 13.156 -11.605 1.00 0.00 H new ATOM 0 HA TRP A 127 -8.562 11.646 -12.446 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.749 10.695 -10.532 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -9.798 9.555 -11.463 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -9.609 11.892 -8.509 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -7.319 11.678 -7.327 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -7.198 9.037 -11.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -4.776 10.420 -7.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -4.844 8.352 -11.630 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -3.630 9.040 -9.581 1.00 0.00 H new ATOM 1497 N ALA A 128 -9.889 10.336 -14.146 1.00 0.00 N ATOM 1498 CA ALA A 128 -10.572 9.822 -15.330 1.00 0.00 C ATOM 1499 C ALA A 128 -10.177 8.360 -15.520 1.00 0.00 C ATOM 1500 O ALA A 128 -9.039 8.051 -15.871 1.00 0.00 O ATOM 1501 CB ALA A 128 -10.189 10.623 -16.577 1.00 0.00 C ATOM 0 H ALA A 128 -8.948 9.966 -14.014 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.649 9.913 -15.189 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -10.712 10.219 -17.444 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -10.469 11.667 -16.439 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -9.113 10.554 -16.738 1.00 0.00 H new ATOM 1507 N CYS A 129 -11.119 7.464 -15.249 1.00 0.00 N ATOM 1508 CA CYS A 129 -10.850 6.032 -15.355 1.00 0.00 C ATOM 1509 C CYS A 129 -10.899 5.552 -16.803 1.00 0.00 C ATOM 1510 O CYS A 129 -11.643 6.075 -17.632 1.00 0.00 O ATOM 1511 CB CYS A 129 -11.872 5.245 -14.533 1.00 0.00 C ATOM 1512 SG CYS A 129 -11.374 3.506 -14.433 1.00 0.00 S ATOM 0 H CYS A 129 -12.068 7.699 -14.957 1.00 0.00 H new ATOM 0 HA CYS A 129 -9.845 5.860 -14.970 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -11.950 5.668 -13.532 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -12.858 5.324 -14.990 1.00 0.00 H new ATOM 1517 N THR A 130 -10.088 4.533 -17.080 1.00 0.00 N ATOM 1518 CA THR A 130 -10.015 3.941 -18.411 1.00 0.00 C ATOM 1519 C THR A 130 -9.406 2.546 -18.298 1.00 0.00 C ATOM 1520 O THR A 130 -8.200 2.363 -18.457 1.00 0.00 O ATOM 1521 CB THR A 130 -9.149 4.801 -19.335 1.00 0.00 C ATOM 1522 OG1 THR A 130 -9.640 6.135 -19.332 1.00 0.00 O ATOM 1523 CG2 THR A 130 -9.202 4.240 -20.755 1.00 0.00 C ATOM 0 H THR A 130 -9.469 4.099 -16.395 1.00 0.00 H new ATOM 0 HA THR A 130 -11.019 3.882 -18.831 1.00 0.00 H new ATOM 0 HB THR A 130 -8.118 4.791 -18.982 1.00 0.00 H new ATOM 0 HG1 THR A 130 -10.579 6.137 -19.050 1.00 0.00 H new ATOM 0 HG21 THR A 130 -8.585 4.853 -21.412 1.00 0.00 H new ATOM 0 HG22 THR A 130 -8.827 3.217 -20.756 1.00 0.00 H new ATOM 0 HG23 THR A 130 -10.232 4.249 -21.112 1.00 0.00 H new ATOM 1531 N SER A 131 -10.257 1.571 -17.991 1.00 0.00 N ATOM 1532 CA SER A 131 -9.801 0.194 -17.819 1.00 0.00 C ATOM 1533 C SER A 131 -9.944 -0.610 -19.106 1.00 0.00 C ATOM 1534 O SER A 131 -10.763 -0.301 -19.972 1.00 0.00 O ATOM 1535 CB SER A 131 -10.608 -0.490 -16.713 1.00 0.00 C ATOM 1536 OG SER A 131 -10.352 -1.887 -16.730 1.00 0.00 O ATOM 0 H SER A 131 -11.259 1.706 -17.857 1.00 0.00 H new ATOM 0 HA SER A 131 -8.746 0.230 -17.548 1.00 0.00 H new ATOM 0 HB2 SER A 131 -10.340 -0.073 -15.742 1.00 0.00 H new ATOM 0 HB3 SER A 131 -11.672 -0.303 -16.857 1.00 0.00 H new ATOM 0 HG SER A 131 -10.868 -2.323 -16.020 1.00 0.00 H new ATOM 1542 N ASN A 132 -9.134 -1.662 -19.203 1.00 0.00 N ATOM 1543 CA ASN A 132 -9.159 -2.542 -20.365 1.00 0.00 C ATOM 1544 C ASN A 132 -9.017 -3.993 -19.906 1.00 0.00 C ATOM 1545 O ASN A 132 -8.113 -4.720 -20.330 1.00 0.00 O ATOM 1546 CB ASN A 132 -8.025 -2.194 -21.333 1.00 0.00 C ATOM 1547 CG ASN A 132 -8.509 -2.353 -22.772 1.00 0.00 C ATOM 1548 OD1 ASN A 132 -9.253 -1.513 -23.279 1.00 0.00 O ATOM 1549 ND2 ASN A 132 -8.128 -3.390 -23.465 1.00 0.00 N ATOM 0 H ASN A 132 -8.453 -1.924 -18.490 1.00 0.00 H new ATOM 0 HA ASN A 132 -10.108 -2.410 -20.884 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -7.690 -1.171 -21.163 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -7.168 -2.844 -21.153 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -8.446 -3.505 -24.427 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -7.512 -4.086 -23.045 1.00 0.00 H new ATOM 1556 N ALA A 133 -9.922 -4.396 -19.019 1.00 0.00 N ATOM 1557 CA ALA A 133 -9.908 -5.754 -18.483 1.00 0.00 C ATOM 1558 C ALA A 133 -11.319 -6.332 -18.470 1.00 0.00 C ATOM 1559 O ALA A 133 -12.166 -5.914 -17.681 1.00 0.00 O ATOM 1560 CB ALA A 133 -9.356 -5.762 -17.056 1.00 0.00 C ATOM 0 H ALA A 133 -10.671 -3.805 -18.657 1.00 0.00 H new ATOM 0 HA ALA A 133 -9.268 -6.362 -19.123 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -9.353 -6.782 -16.673 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -8.338 -5.372 -17.057 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -9.983 -5.137 -16.420 1.00 0.00 H new ATOM 1566 N ASP A 134 -11.558 -7.300 -19.364 1.00 0.00 N ATOM 1567 CA ASP A 134 -12.869 -7.964 -19.484 1.00 0.00 C ATOM 1568 C ASP A 134 -14.029 -6.970 -19.368 1.00 0.00 C ATOM 1569 O ASP A 134 -14.541 -6.713 -18.277 1.00 0.00 O ATOM 1570 CB ASP A 134 -13.030 -9.057 -18.419 1.00 0.00 C ATOM 1571 CG ASP A 134 -12.845 -8.466 -17.025 1.00 0.00 C ATOM 1572 OD1 ASP A 134 -11.707 -8.315 -16.614 1.00 0.00 O ATOM 1573 OD2 ASP A 134 -13.844 -8.175 -16.389 1.00 0.00 O ATOM 0 H ASP A 134 -10.857 -7.645 -20.020 1.00 0.00 H new ATOM 0 HA ASP A 134 -12.901 -8.415 -20.476 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -14.017 -9.512 -18.501 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -12.299 -9.848 -18.586 1.00 0.00 H new ATOM 1704 N CYS A 142 -15.578 3.644 -15.658 1.00 0.00 N ATOM 1705 CA CYS A 142 -14.351 3.236 -16.336 1.00 0.00 C ATOM 1706 C CYS A 142 -14.640 2.874 -17.789 1.00 0.00 C ATOM 1707 O CYS A 142 -15.430 1.974 -18.074 1.00 0.00 O ATOM 1708 CB CYS A 142 -13.727 2.026 -15.636 1.00 0.00 C ATOM 1709 SG CYS A 142 -13.091 2.525 -14.015 1.00 0.00 S ATOM 0 HA CYS A 142 -13.654 4.074 -16.301 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -14.470 1.237 -15.519 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -12.920 1.617 -16.244 1.00 0.00 H new ATOM 1714 N GLN A 143 -13.988 3.586 -18.703 1.00 0.00 N ATOM 1715 CA GLN A 143 -14.179 3.334 -20.128 1.00 0.00 C ATOM 1716 C GLN A 143 -13.180 2.292 -20.621 1.00 0.00 C ATOM 1717 O GLN A 143 -12.396 1.747 -19.843 1.00 0.00 O ATOM 1718 CB GLN A 143 -13.992 4.623 -20.930 1.00 0.00 C ATOM 1719 CG GLN A 143 -15.332 5.353 -21.046 1.00 0.00 C ATOM 1720 CD GLN A 143 -15.393 6.096 -22.376 1.00 0.00 C ATOM 1721 OE1 GLN A 143 -15.313 7.324 -22.413 1.00 0.00 O ATOM 1722 NE2 GLN A 143 -15.532 5.418 -23.482 1.00 0.00 N ATOM 0 H GLN A 143 -13.330 4.334 -18.486 1.00 0.00 H new ATOM 0 HA GLN A 143 -15.194 2.963 -20.272 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.258 5.264 -20.442 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.604 4.393 -21.922 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -16.154 4.640 -20.978 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -15.449 6.054 -20.220 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.598 4.401 -23.452 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -15.574 5.905 -24.377 1.00 0.00 H new ATOM 1731 N THR A 144 -13.218 2.021 -21.921 1.00 0.00 N ATOM 1732 CA THR A 144 -12.311 1.040 -22.510 1.00 0.00 C ATOM 1733 C THR A 144 -11.050 1.723 -23.028 1.00 0.00 C ATOM 1734 O THR A 144 -11.117 2.689 -23.788 1.00 0.00 O ATOM 1735 CB THR A 144 -12.993 0.308 -23.668 1.00 0.00 C ATOM 1736 OG1 THR A 144 -13.277 1.233 -24.709 1.00 0.00 O ATOM 1737 CG2 THR A 144 -14.295 -0.328 -23.177 1.00 0.00 C ATOM 0 H THR A 144 -13.859 2.461 -22.582 1.00 0.00 H new ATOM 0 HA THR A 144 -12.043 0.322 -21.735 1.00 0.00 H new ATOM 0 HB THR A 144 -12.332 -0.472 -24.045 1.00 0.00 H new ATOM 0 HG1 THR A 144 -12.593 1.935 -24.718 1.00 0.00 H new ATOM 0 HG21 THR A 144 -14.780 -0.849 -24.003 1.00 0.00 H new ATOM 0 HG22 THR A 144 -14.075 -1.038 -22.379 1.00 0.00 H new ATOM 0 HG23 THR A 144 -14.959 0.449 -22.798 1.00 0.00 H new ATOM 1745 N ALA A 145 -9.896 1.208 -22.606 1.00 0.00 N ATOM 1746 CA ALA A 145 -8.611 1.772 -23.028 1.00 0.00 C ATOM 1747 C ALA A 145 -8.504 1.817 -24.552 1.00 0.00 C ATOM 1748 O ALA A 145 -9.085 0.990 -25.255 1.00 0.00 O ATOM 1749 CB ALA A 145 -7.455 0.937 -22.475 1.00 0.00 C ATOM 0 H ALA A 145 -9.822 0.408 -21.978 1.00 0.00 H new ATOM 0 HA ALA A 145 -8.553 2.788 -22.636 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.508 1.369 -22.797 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.499 0.931 -21.386 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -7.533 -0.084 -22.847 1.00 0.00 H new