USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=29 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 Set 1.1: A 71 THR OG1 : rot -109:sc= 0.235 USER MOD Set 1.2: A 74 ASN : amide:sc= 1.24 K(o=1.5,f=-0.79) USER MOD Set 2.1: A 53 GLN : amide:sc= -5.34 K(o=-9.8,f=-12!) USER MOD Set 2.2: A 60 ASN : amide:sc= -4.49 K(o=-9.8,f=-14!) USER MOD Single : A 32 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.27) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 48:sc= 0.944 USER MOD Single : A 41 SER OG : rot -85:sc= 0.728 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 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 99:sc= 1.13 USER MOD Single : A 56 SER OG : rot 180:sc= 0.308 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -104:sc= 0.815 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -23:sc= 0.309 USER MOD Single : A 83 THR OG1 : rot -95:sc= -0.509 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0615 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 39:sc= 1.05 USER MOD Single : A 98 THR OG1 : rot 87:sc= 0.0479 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 151:sc= -1.7! USER MOD Single : A 106 THR OG1 : rot -65:sc= 0.974 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 161:sc= -0.87 USER MOD Single : A 114 THR OG1 : rot -171:sc= -2.98 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.657 USER MOD Single : A 119 ASN : amide:sc= -4.25 X(o=-4.3,f=-4.4) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -54:sc= 0.0284 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 131 SER OG : rot -131:sc= -2.45 USER MOD Single : A 132 ASN :FLIP amide:sc= -0.584 F(o=-1.2,f=-0.58) USER MOD Single : A 143 GLN : amide:sc= -0.0665 X(o=-0.067,f=-0.45) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 137 N ALA A 31 -11.881 -13.397 -3.448 1.00 0.00 N ATOM 138 CA ALA A 31 -10.709 -12.541 -3.284 1.00 0.00 C ATOM 139 C ALA A 31 -10.804 -11.322 -4.197 1.00 0.00 C ATOM 140 O ALA A 31 -10.306 -10.244 -3.871 1.00 0.00 O ATOM 141 CB ALA A 31 -9.431 -13.313 -3.618 1.00 0.00 C ATOM 0 HA ALA A 31 -10.676 -12.214 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.568 -12.660 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.339 -14.170 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.475 -13.659 -4.651 1.00 0.00 H new ATOM 147 N GLN A 32 -11.451 -11.503 -5.346 1.00 0.00 N ATOM 148 CA GLN A 32 -11.609 -10.410 -6.304 1.00 0.00 C ATOM 149 C GLN A 32 -12.382 -9.254 -5.676 1.00 0.00 C ATOM 150 O GLN A 32 -12.152 -8.088 -5.998 1.00 0.00 O ATOM 151 CB GLN A 32 -12.358 -10.892 -7.548 1.00 0.00 C ATOM 152 CG GLN A 32 -12.264 -9.829 -8.645 1.00 0.00 C ATOM 153 CD GLN A 32 -10.870 -9.856 -9.261 1.00 0.00 C ATOM 154 OE1 GLN A 32 -9.991 -9.093 -8.859 1.00 0.00 O ATOM 155 NE2 GLN A 32 -10.610 -10.698 -10.224 1.00 0.00 N ATOM 0 H GLN A 32 -11.871 -12.387 -5.635 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.614 -10.068 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -11.933 -11.832 -7.900 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.402 -11.087 -7.304 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.016 -10.015 -9.412 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.470 -8.843 -8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -11.337 -11.331 -10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.680 -10.723 -10.642 1.00 0.00 H new ATOM 164 N LEU A 33 -13.300 -9.591 -4.775 1.00 0.00 N ATOM 165 CA LEU A 33 -14.105 -8.574 -4.104 1.00 0.00 C ATOM 166 C LEU A 33 -13.249 -7.783 -3.119 1.00 0.00 C ATOM 167 O LEU A 33 -13.324 -6.556 -3.055 1.00 0.00 O ATOM 168 CB LEU A 33 -15.265 -9.221 -3.348 1.00 0.00 C ATOM 169 CG LEU A 33 -16.513 -8.346 -3.202 1.00 0.00 C ATOM 170 CD1 LEU A 33 -16.160 -7.078 -2.424 1.00 0.00 C ATOM 171 CD2 LEU A 33 -17.030 -7.963 -4.591 1.00 0.00 C ATOM 0 H LEU A 33 -13.504 -10.550 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.500 -7.901 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.544 -10.142 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.919 -9.502 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 33 -17.284 -8.899 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.049 -6.455 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -15.789 -7.349 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -15.390 -6.524 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.919 -7.340 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.258 -7.410 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.282 -8.866 -5.147 1.00 0.00 H new ATOM 183 N SER A 34 -12.434 -8.502 -2.353 1.00 0.00 N ATOM 184 CA SER A 34 -11.565 -7.861 -1.370 1.00 0.00 C ATOM 185 C SER A 34 -10.438 -7.107 -2.069 1.00 0.00 C ATOM 186 O SER A 34 -10.038 -6.024 -1.642 1.00 0.00 O ATOM 187 CB SER A 34 -10.959 -8.903 -0.430 1.00 0.00 C ATOM 188 OG SER A 34 -11.901 -9.948 -0.219 1.00 0.00 O ATOM 0 H SER A 34 -12.357 -9.518 -2.392 1.00 0.00 H new ATOM 0 HA SER A 34 -12.169 -7.161 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.041 -9.306 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.692 -8.441 0.520 1.00 0.00 H new ATOM 0 HG SER A 34 -11.516 -10.619 0.382 1.00 0.00 H new ATOM 194 N GLU A 35 -9.929 -7.693 -3.148 1.00 0.00 N ATOM 195 CA GLU A 35 -8.845 -7.071 -3.903 1.00 0.00 C ATOM 196 C GLU A 35 -9.359 -5.873 -4.698 1.00 0.00 C ATOM 197 O GLU A 35 -8.628 -4.914 -4.942 1.00 0.00 O ATOM 198 CB GLU A 35 -8.220 -8.079 -4.871 1.00 0.00 C ATOM 199 CG GLU A 35 -6.922 -7.503 -5.440 1.00 0.00 C ATOM 200 CD GLU A 35 -6.408 -8.409 -6.553 1.00 0.00 C ATOM 201 OE1 GLU A 35 -7.046 -8.459 -7.592 1.00 0.00 O ATOM 202 OE2 GLU A 35 -5.384 -9.040 -6.351 1.00 0.00 O ATOM 0 H GLU A 35 -10.246 -8.590 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.093 -6.735 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.018 -9.018 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.916 -8.303 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.096 -6.498 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.174 -7.417 -4.652 1.00 0.00 H new ATOM 209 N ALA A 36 -10.625 -5.942 -5.102 1.00 0.00 N ATOM 210 CA ALA A 36 -11.227 -4.858 -5.873 1.00 0.00 C ATOM 211 C ALA A 36 -11.252 -3.567 -5.061 1.00 0.00 C ATOM 212 O ALA A 36 -10.667 -2.558 -5.455 1.00 0.00 O ATOM 213 CB ALA A 36 -12.659 -5.219 -6.274 1.00 0.00 C ATOM 0 H ALA A 36 -11.247 -6.727 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.622 -4.710 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.093 -4.401 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.650 -6.124 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.256 -5.390 -5.378 1.00 0.00 H new ATOM 219 N MET A 37 -11.941 -3.609 -3.924 1.00 0.00 N ATOM 220 CA MET A 37 -12.045 -2.434 -3.058 1.00 0.00 C ATOM 221 C MET A 37 -10.662 -1.962 -2.613 1.00 0.00 C ATOM 222 O MET A 37 -10.424 -0.766 -2.445 1.00 0.00 O ATOM 223 CB MET A 37 -12.886 -2.753 -1.819 1.00 0.00 C ATOM 224 CG MET A 37 -12.288 -3.957 -1.085 1.00 0.00 C ATOM 225 SD MET A 37 -11.165 -3.383 0.215 1.00 0.00 S ATOM 226 CE MET A 37 -12.051 -4.110 1.616 1.00 0.00 C ATOM 0 H MET A 37 -12.432 -4.435 -3.581 1.00 0.00 H new ATOM 0 HA MET A 37 -12.527 -1.642 -3.632 1.00 0.00 H new ATOM 0 HB2 MET A 37 -12.916 -1.889 -1.156 1.00 0.00 H new ATOM 0 HB3 MET A 37 -13.914 -2.967 -2.111 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.084 -4.562 -0.651 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.751 -4.594 -1.788 1.00 0.00 H new ATOM 0 HE1 MET A 37 -11.524 -3.876 2.541 1.00 0.00 H new ATOM 0 HE2 MET A 37 -13.060 -3.701 1.660 1.00 0.00 H new ATOM 0 HE3 MET A 37 -12.103 -5.192 1.492 1.00 0.00 H new ATOM 236 N THR A 38 -9.754 -2.915 -2.426 1.00 0.00 N ATOM 237 CA THR A 38 -8.397 -2.585 -1.999 1.00 0.00 C ATOM 238 C THR A 38 -7.603 -1.999 -3.164 1.00 0.00 C ATOM 239 O THR A 38 -6.763 -1.117 -2.980 1.00 0.00 O ATOM 240 CB THR A 38 -7.677 -3.833 -1.480 1.00 0.00 C ATOM 241 OG1 THR A 38 -8.481 -4.463 -0.492 1.00 0.00 O ATOM 242 CG2 THR A 38 -6.334 -3.434 -0.866 1.00 0.00 C ATOM 0 H THR A 38 -9.929 -3.911 -2.561 1.00 0.00 H new ATOM 0 HA THR A 38 -8.465 -1.850 -1.197 1.00 0.00 H new ATOM 0 HB THR A 38 -7.505 -4.523 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.399 -4.550 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.824 -4.324 -0.497 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.717 -2.949 -1.623 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.503 -2.744 -0.039 1.00 0.00 H new ATOM 250 N LEU A 39 -7.878 -2.500 -4.363 1.00 0.00 N ATOM 251 CA LEU A 39 -7.185 -2.021 -5.556 1.00 0.00 C ATOM 252 C LEU A 39 -7.709 -0.648 -5.961 1.00 0.00 C ATOM 253 O LEU A 39 -6.971 0.186 -6.483 1.00 0.00 O ATOM 254 CB LEU A 39 -7.385 -2.994 -6.719 1.00 0.00 C ATOM 255 CG LEU A 39 -6.583 -2.671 -7.982 1.00 0.00 C ATOM 256 CD1 LEU A 39 -5.145 -3.166 -7.815 1.00 0.00 C ATOM 257 CD2 LEU A 39 -7.225 -3.370 -9.183 1.00 0.00 C ATOM 0 H LEU A 39 -8.569 -3.230 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.123 -1.950 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.117 -3.996 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.444 -3.016 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.579 -1.593 -8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.574 -2.936 -8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.687 -2.671 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.148 -4.244 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.656 -3.142 -10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.227 -4.448 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.250 -3.019 -9.303 1.00 0.00 H new ATOM 269 N ALA A 40 -8.997 -0.423 -5.713 1.00 0.00 N ATOM 270 CA ALA A 40 -9.617 0.854 -6.056 1.00 0.00 C ATOM 271 C ALA A 40 -8.985 1.987 -5.253 1.00 0.00 C ATOM 272 O ALA A 40 -8.456 2.946 -5.816 1.00 0.00 O ATOM 273 CB ALA A 40 -11.118 0.816 -5.766 1.00 0.00 C ATOM 0 H ALA A 40 -9.626 -1.100 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.457 1.029 -7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.564 1.776 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.583 0.027 -6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.279 0.618 -4.706 1.00 0.00 H new ATOM 279 N SER A 41 -9.047 1.866 -3.930 1.00 0.00 N ATOM 280 CA SER A 41 -8.479 2.886 -3.053 1.00 0.00 C ATOM 281 C SER A 41 -6.969 2.979 -3.252 1.00 0.00 C ATOM 282 O SER A 41 -6.386 4.062 -3.192 1.00 0.00 O ATOM 283 CB SER A 41 -8.768 2.555 -1.589 1.00 0.00 C ATOM 284 OG SER A 41 -8.846 1.144 -1.433 1.00 0.00 O ATOM 0 H SER A 41 -9.480 1.080 -3.445 1.00 0.00 H new ATOM 0 HA SER A 41 -8.939 3.841 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.983 2.960 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.704 3.019 -1.277 1.00 0.00 H new ATOM 0 HG SER A 41 -9.753 0.841 -1.646 1.00 0.00 H new ATOM 290 N GLY A 42 -6.343 1.830 -3.489 1.00 0.00 N ATOM 291 CA GLY A 42 -4.898 1.788 -3.695 1.00 0.00 C ATOM 292 C GLY A 42 -4.522 2.362 -5.058 1.00 0.00 C ATOM 293 O GLY A 42 -3.437 2.915 -5.236 1.00 0.00 O ATOM 0 H GLY A 42 -6.808 0.924 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.399 2.353 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.546 0.759 -3.620 1.00 0.00 H new ATOM 297 N LEU A 43 -5.432 2.224 -6.020 1.00 0.00 N ATOM 298 CA LEU A 43 -5.184 2.730 -7.367 1.00 0.00 C ATOM 299 C LEU A 43 -5.257 4.255 -7.392 1.00 0.00 C ATOM 300 O LEU A 43 -4.388 4.922 -7.953 1.00 0.00 O ATOM 301 CB LEU A 43 -6.219 2.165 -8.342 1.00 0.00 C ATOM 302 CG LEU A 43 -6.094 2.662 -9.785 1.00 0.00 C ATOM 303 CD1 LEU A 43 -5.182 1.722 -10.573 1.00 0.00 C ATOM 304 CD2 LEU A 43 -7.481 2.691 -10.432 1.00 0.00 C ATOM 0 H LEU A 43 -6.337 1.771 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.185 2.414 -7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.140 1.078 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.215 2.413 -7.974 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.668 3.665 -9.789 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.094 2.077 -11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.195 1.700 -10.111 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.606 0.718 -10.571 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.396 3.044 -11.460 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.906 1.687 -10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.131 3.362 -9.870 1.00 0.00 H new ATOM 316 N LYS A 44 -6.309 4.799 -6.782 1.00 0.00 N ATOM 317 CA LYS A 44 -6.492 6.251 -6.747 1.00 0.00 C ATOM 318 C LYS A 44 -5.300 6.937 -6.081 1.00 0.00 C ATOM 319 O LYS A 44 -4.867 8.008 -6.508 1.00 0.00 O ATOM 320 CB LYS A 44 -7.775 6.622 -5.992 1.00 0.00 C ATOM 321 CG LYS A 44 -7.777 5.974 -4.604 1.00 0.00 C ATOM 322 CD LYS A 44 -9.009 6.442 -3.827 1.00 0.00 C ATOM 323 CE LYS A 44 -8.729 6.355 -2.326 1.00 0.00 C ATOM 324 NZ LYS A 44 -9.995 6.050 -1.600 1.00 0.00 N ATOM 0 H LYS A 44 -7.039 4.265 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.571 6.595 -7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.849 7.705 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.647 6.292 -6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.783 4.888 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.869 6.242 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.258 7.467 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.870 5.825 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.988 5.580 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.310 7.296 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.804 5.991 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.688 6.804 -1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.377 5.142 -1.934 1.00 0.00 H new ATOM 338 N THR A 45 -4.772 6.311 -5.034 1.00 0.00 N ATOM 339 CA THR A 45 -3.628 6.878 -4.322 1.00 0.00 C ATOM 340 C THR A 45 -2.348 6.691 -5.134 1.00 0.00 C ATOM 341 O THR A 45 -1.431 7.510 -5.072 1.00 0.00 O ATOM 342 CB THR A 45 -3.459 6.216 -2.949 1.00 0.00 C ATOM 343 OG1 THR A 45 -2.325 6.769 -2.297 1.00 0.00 O ATOM 344 CG2 THR A 45 -3.267 4.705 -3.114 1.00 0.00 C ATOM 0 H THR A 45 -5.111 5.424 -4.662 1.00 0.00 H new ATOM 0 HA THR A 45 -3.815 7.943 -4.183 1.00 0.00 H new ATOM 0 HB THR A 45 -4.353 6.397 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.215 6.349 -1.418 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.148 4.244 -2.133 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.139 4.280 -3.611 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.378 4.515 -3.715 1.00 0.00 H new ATOM 352 N LYS A 46 -2.297 5.598 -5.892 1.00 0.00 N ATOM 353 CA LYS A 46 -1.125 5.307 -6.712 1.00 0.00 C ATOM 354 C LYS A 46 -0.966 6.351 -7.814 1.00 0.00 C ATOM 355 O LYS A 46 0.057 7.027 -7.902 1.00 0.00 O ATOM 356 CB LYS A 46 -1.250 3.922 -7.350 1.00 0.00 C ATOM 357 CG LYS A 46 -0.630 2.875 -6.423 1.00 0.00 C ATOM 358 CD LYS A 46 0.884 2.834 -6.639 1.00 0.00 C ATOM 359 CE LYS A 46 1.464 1.592 -5.961 1.00 0.00 C ATOM 360 NZ LYS A 46 1.656 1.862 -4.508 1.00 0.00 N ATOM 0 H LYS A 46 -3.044 4.907 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.249 5.332 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.299 3.687 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.748 3.909 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.853 3.116 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.063 1.895 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.109 2.818 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.345 3.733 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.794 0.743 -6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.415 1.325 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.050 1.017 -4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.311 2.660 -4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.740 2.097 -4.075 1.00 0.00 H new ATOM 374 N VAL A 47 -1.993 6.470 -8.658 1.00 0.00 N ATOM 375 CA VAL A 47 -1.966 7.430 -9.766 1.00 0.00 C ATOM 376 C VAL A 47 -1.622 8.838 -9.265 1.00 0.00 C ATOM 377 O VAL A 47 -0.826 9.557 -9.878 1.00 0.00 O ATOM 378 CB VAL A 47 -3.326 7.445 -10.486 1.00 0.00 C ATOM 379 CG1 VAL A 47 -4.424 7.917 -9.526 1.00 0.00 C ATOM 380 CG2 VAL A 47 -3.264 8.385 -11.694 1.00 0.00 C ATOM 0 H VAL A 47 -2.849 5.918 -8.597 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.192 7.118 -10.467 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.556 6.435 -10.825 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.383 7.924 -10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.478 7.240 -8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.193 8.923 -9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.230 8.392 -12.200 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.023 9.394 -11.358 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.495 8.039 -12.385 1.00 0.00 H new ATOM 390 N SER A 48 -2.225 9.220 -8.139 1.00 0.00 N ATOM 391 CA SER A 48 -1.973 10.540 -7.558 1.00 0.00 C ATOM 392 C SER A 48 -0.478 10.746 -7.327 1.00 0.00 C ATOM 393 O SER A 48 0.046 11.849 -7.485 1.00 0.00 O ATOM 394 CB SER A 48 -2.705 10.684 -6.224 1.00 0.00 C ATOM 395 OG SER A 48 -2.548 12.013 -5.743 1.00 0.00 O ATOM 0 H SER A 48 -2.884 8.643 -7.616 1.00 0.00 H new ATOM 0 HA SER A 48 -2.339 11.291 -8.258 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.763 10.453 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.308 9.973 -5.499 1.00 0.00 H new ATOM 0 HG SER A 48 -3.018 12.109 -4.888 1.00 0.00 H new ATOM 401 N ASP A 49 0.200 9.664 -6.957 1.00 0.00 N ATOM 402 CA ASP A 49 1.637 9.723 -6.710 1.00 0.00 C ATOM 403 C ASP A 49 2.407 9.785 -8.026 1.00 0.00 C ATOM 404 O ASP A 49 3.478 10.386 -8.101 1.00 0.00 O ATOM 405 CB ASP A 49 2.099 8.495 -5.922 1.00 0.00 C ATOM 406 CG ASP A 49 1.616 8.603 -4.480 1.00 0.00 C ATOM 407 OD1 ASP A 49 2.030 9.531 -3.805 1.00 0.00 O ATOM 408 OD2 ASP A 49 0.838 7.756 -4.072 1.00 0.00 O ATOM 0 H ASP A 49 -0.218 8.743 -6.822 1.00 0.00 H new ATOM 0 HA ASP A 49 1.837 10.624 -6.130 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.707 7.587 -6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.186 8.421 -5.948 1.00 0.00 H new ATOM 413 N ILE A 50 1.855 9.150 -9.062 1.00 0.00 N ATOM 414 CA ILE A 50 2.514 9.134 -10.371 1.00 0.00 C ATOM 415 C ILE A 50 2.705 10.558 -10.898 1.00 0.00 C ATOM 416 O ILE A 50 3.667 10.845 -11.607 1.00 0.00 O ATOM 417 CB ILE A 50 1.708 8.304 -11.379 1.00 0.00 C ATOM 418 CG1 ILE A 50 1.550 6.879 -10.837 1.00 0.00 C ATOM 419 CG2 ILE A 50 2.451 8.256 -12.719 1.00 0.00 C ATOM 420 CD1 ILE A 50 0.643 6.068 -11.765 1.00 0.00 C ATOM 0 H ILE A 50 0.968 8.648 -9.023 1.00 0.00 H new ATOM 0 HA ILE A 50 3.494 8.672 -10.246 1.00 0.00 H new ATOM 0 HB ILE A 50 0.728 8.758 -11.526 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.526 6.400 -10.758 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.126 6.907 -9.833 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.876 7.666 -13.433 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.576 9.269 -13.102 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.430 7.799 -12.576 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.534 5.056 -11.375 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.337 6.542 -11.822 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.084 6.027 -12.761 1.00 0.00 H new ATOM 432 N PHE A 51 1.793 11.449 -10.531 1.00 0.00 N ATOM 433 CA PHE A 51 1.908 12.844 -10.956 1.00 0.00 C ATOM 434 C PHE A 51 2.692 13.617 -9.892 1.00 0.00 C ATOM 435 O PHE A 51 3.435 14.546 -10.199 1.00 0.00 O ATOM 436 CB PHE A 51 0.502 13.468 -11.168 1.00 0.00 C ATOM 437 CG PHE A 51 0.550 14.993 -11.157 1.00 0.00 C ATOM 438 CD1 PHE A 51 0.524 15.674 -9.931 1.00 0.00 C ATOM 439 CD2 PHE A 51 0.618 15.720 -12.356 1.00 0.00 C ATOM 440 CE1 PHE A 51 0.568 17.072 -9.903 1.00 0.00 C ATOM 441 CE2 PHE A 51 0.662 17.119 -12.322 1.00 0.00 C ATOM 442 CZ PHE A 51 0.638 17.794 -11.097 1.00 0.00 C ATOM 0 H PHE A 51 0.980 11.240 -9.952 1.00 0.00 H new ATOM 0 HA PHE A 51 2.437 12.897 -11.908 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.091 13.124 -12.117 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.172 13.120 -10.385 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.470 15.118 -9.007 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.636 15.201 -13.303 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.548 17.594 -8.958 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.715 17.679 -13.244 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.674 18.873 -11.074 1.00 0.00 H new ATOM 452 N SER A 52 2.498 13.226 -8.636 1.00 0.00 N ATOM 453 CA SER A 52 3.171 13.895 -7.531 1.00 0.00 C ATOM 454 C SER A 52 4.684 13.676 -7.579 1.00 0.00 C ATOM 455 O SER A 52 5.451 14.511 -7.100 1.00 0.00 O ATOM 456 CB SER A 52 2.641 13.379 -6.194 1.00 0.00 C ATOM 457 OG SER A 52 1.234 13.573 -6.139 1.00 0.00 O ATOM 0 H SER A 52 1.887 12.457 -8.361 1.00 0.00 H new ATOM 0 HA SER A 52 2.967 14.961 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.878 12.321 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.124 13.905 -5.371 1.00 0.00 H new ATOM 0 HG SER A 52 0.779 12.733 -6.358 1.00 0.00 H new ATOM 463 N GLN A 53 5.113 12.541 -8.140 1.00 0.00 N ATOM 464 CA GLN A 53 6.556 12.240 -8.206 1.00 0.00 C ATOM 465 C GLN A 53 7.331 13.379 -8.881 1.00 0.00 C ATOM 466 O GLN A 53 7.908 14.229 -8.203 1.00 0.00 O ATOM 467 CB GLN A 53 6.872 10.903 -8.923 1.00 0.00 C ATOM 468 CG GLN A 53 5.835 10.567 -10.003 1.00 0.00 C ATOM 469 CD GLN A 53 6.512 9.835 -11.164 1.00 0.00 C ATOM 470 OE1 GLN A 53 7.544 10.281 -11.666 1.00 0.00 O ATOM 471 NE2 GLN A 53 5.989 8.723 -11.626 1.00 0.00 N ATOM 0 H GLN A 53 4.505 11.830 -8.546 1.00 0.00 H new ATOM 0 HA GLN A 53 6.881 12.139 -7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.861 10.961 -9.377 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.904 10.098 -8.189 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.045 9.946 -9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.363 11.481 -10.363 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.134 8.351 -11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.438 8.231 -12.399 1.00 0.00 H new ATOM 480 N ASP A 54 7.353 13.391 -10.212 1.00 0.00 N ATOM 481 CA ASP A 54 8.078 14.437 -10.936 1.00 0.00 C ATOM 482 C ASP A 54 7.178 15.632 -11.265 1.00 0.00 C ATOM 483 O ASP A 54 7.551 16.490 -12.064 1.00 0.00 O ATOM 484 CB ASP A 54 8.649 13.882 -12.240 1.00 0.00 C ATOM 485 CG ASP A 54 9.783 12.911 -11.927 1.00 0.00 C ATOM 486 OD1 ASP A 54 10.866 13.377 -11.614 1.00 0.00 O ATOM 487 OD2 ASP A 54 9.552 11.716 -12.005 1.00 0.00 O ATOM 0 H ASP A 54 6.887 12.703 -10.804 1.00 0.00 H new ATOM 0 HA ASP A 54 8.884 14.775 -10.284 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.867 13.374 -12.805 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.016 14.697 -12.865 1.00 0.00 H new ATOM 492 N GLY A 55 5.987 15.683 -10.663 1.00 0.00 N ATOM 493 CA GLY A 55 5.062 16.786 -10.937 1.00 0.00 C ATOM 494 C GLY A 55 4.716 16.858 -12.428 1.00 0.00 C ATOM 495 O GLY A 55 4.273 17.894 -12.924 1.00 0.00 O ATOM 0 H GLY A 55 5.645 14.990 -9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.150 16.653 -10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.509 17.728 -10.618 1.00 0.00 H new ATOM 499 N SER A 56 4.927 15.747 -13.138 1.00 0.00 N ATOM 500 CA SER A 56 4.640 15.692 -14.567 1.00 0.00 C ATOM 501 C SER A 56 4.404 14.236 -14.985 1.00 0.00 C ATOM 502 O SER A 56 4.094 13.389 -14.147 1.00 0.00 O ATOM 503 CB SER A 56 5.814 16.279 -15.358 1.00 0.00 C ATOM 504 OG SER A 56 5.384 16.584 -16.678 1.00 0.00 O ATOM 0 H SER A 56 5.294 14.880 -12.746 1.00 0.00 H new ATOM 0 HA SER A 56 3.745 16.277 -14.778 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.185 17.179 -14.867 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.640 15.568 -15.387 1.00 0.00 H new ATOM 0 HG SER A 56 6.132 16.961 -17.187 1.00 0.00 H new ATOM 510 N CYS A 57 4.555 13.947 -16.278 1.00 0.00 N ATOM 511 CA CYS A 57 4.360 12.580 -16.765 1.00 0.00 C ATOM 512 C CYS A 57 5.695 12.018 -17.274 1.00 0.00 C ATOM 513 O CYS A 57 5.967 12.052 -18.475 1.00 0.00 O ATOM 514 CB CYS A 57 3.336 12.519 -17.911 1.00 0.00 C ATOM 515 SG CYS A 57 1.929 13.622 -17.598 1.00 0.00 S ATOM 0 H CYS A 57 4.807 14.627 -16.996 1.00 0.00 H new ATOM 0 HA CYS A 57 3.982 11.988 -15.931 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.818 12.798 -18.848 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.979 11.496 -18.029 1.00 0.00 H new ATOM 520 N PRO A 58 6.549 11.500 -16.376 1.00 0.00 N ATOM 521 CA PRO A 58 7.857 10.944 -16.776 1.00 0.00 C ATOM 522 C PRO A 58 7.745 9.532 -17.348 1.00 0.00 C ATOM 523 O PRO A 58 6.658 9.071 -17.694 1.00 0.00 O ATOM 524 CB PRO A 58 8.624 10.935 -15.458 1.00 0.00 C ATOM 525 CG PRO A 58 7.590 10.898 -14.341 1.00 0.00 C ATOM 526 CD PRO A 58 6.276 11.431 -14.920 1.00 0.00 C ATOM 0 HA PRO A 58 8.333 11.521 -17.569 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.284 10.069 -15.402 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.253 11.821 -15.372 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.462 9.881 -13.969 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.914 11.508 -13.497 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.440 10.767 -14.698 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.024 12.409 -14.511 1.00 0.00 H new ATOM 534 N ALA A 59 8.886 8.855 -17.441 1.00 0.00 N ATOM 535 CA ALA A 59 8.914 7.494 -17.966 1.00 0.00 C ATOM 536 C ALA A 59 9.711 6.591 -17.030 1.00 0.00 C ATOM 537 O ALA A 59 10.942 6.570 -17.067 1.00 0.00 O ATOM 538 CB ALA A 59 9.554 7.466 -19.356 1.00 0.00 C ATOM 0 H ALA A 59 9.796 9.223 -17.162 1.00 0.00 H new ATOM 0 HA ALA A 59 7.887 7.135 -18.039 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.566 6.442 -19.731 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.977 8.094 -20.035 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.575 7.841 -19.294 1.00 0.00 H new ATOM 544 N ASN A 60 8.996 5.852 -16.186 1.00 0.00 N ATOM 545 CA ASN A 60 9.646 4.954 -15.233 1.00 0.00 C ATOM 546 C ASN A 60 10.272 3.762 -15.954 1.00 0.00 C ATOM 547 O ASN A 60 9.823 2.622 -15.822 1.00 0.00 O ATOM 548 CB ASN A 60 8.632 4.451 -14.199 1.00 0.00 C ATOM 549 CG ASN A 60 8.106 5.625 -13.378 1.00 0.00 C ATOM 550 OD1 ASN A 60 8.243 6.783 -13.774 1.00 0.00 O ATOM 551 ND2 ASN A 60 7.504 5.391 -12.244 1.00 0.00 N ATOM 0 H ASN A 60 7.977 5.856 -16.141 1.00 0.00 H new ATOM 0 HA ASN A 60 10.432 5.512 -14.725 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.806 3.947 -14.701 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.101 3.718 -13.543 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.147 6.167 -11.686 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.390 4.432 -11.915 1.00 0.00 H new ATOM 558 N THR A 61 11.325 4.041 -16.714 1.00 0.00 N ATOM 559 CA THR A 61 12.027 2.993 -17.451 1.00 0.00 C ATOM 560 C THR A 61 13.376 2.707 -16.796 1.00 0.00 C ATOM 561 O THR A 61 13.874 1.582 -16.832 1.00 0.00 O ATOM 562 CB THR A 61 12.256 3.417 -18.904 1.00 0.00 C ATOM 563 OG1 THR A 61 13.042 4.600 -18.930 1.00 0.00 O ATOM 564 CG2 THR A 61 10.909 3.680 -19.578 1.00 0.00 C ATOM 0 H THR A 61 11.711 4.977 -16.837 1.00 0.00 H new ATOM 0 HA THR A 61 11.411 2.094 -17.434 1.00 0.00 H new ATOM 0 HB THR A 61 12.777 2.623 -19.439 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.192 4.873 -19.859 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.073 3.982 -20.613 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.308 2.771 -19.556 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.385 4.475 -19.047 1.00 0.00 H new ATOM 572 N ALA A 62 13.958 3.741 -16.191 1.00 0.00 N ATOM 573 CA ALA A 62 15.248 3.598 -15.521 1.00 0.00 C ATOM 574 C ALA A 62 15.288 4.475 -14.273 1.00 0.00 C ATOM 575 O ALA A 62 16.336 4.999 -13.896 1.00 0.00 O ATOM 576 CB ALA A 62 16.387 4.007 -16.456 1.00 0.00 C ATOM 0 H ALA A 62 13.560 4.679 -16.151 1.00 0.00 H new ATOM 0 HA ALA A 62 15.373 2.552 -15.240 1.00 0.00 H new ATOM 0 HB1 ALA A 62 17.340 3.894 -15.939 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.377 3.372 -17.342 1.00 0.00 H new ATOM 0 HB3 ALA A 62 16.257 5.047 -16.754 1.00 0.00 H new ATOM 582 N ALA A 63 14.129 4.630 -13.639 1.00 0.00 N ATOM 583 CA ALA A 63 14.028 5.446 -12.433 1.00 0.00 C ATOM 584 C ALA A 63 14.134 4.564 -11.186 1.00 0.00 C ATOM 585 O ALA A 63 14.613 3.432 -11.254 1.00 0.00 O ATOM 586 CB ALA A 63 12.693 6.201 -12.423 1.00 0.00 C ATOM 0 H ALA A 63 13.252 4.204 -13.938 1.00 0.00 H new ATOM 0 HA ALA A 63 14.847 6.165 -12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.625 6.808 -11.520 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.634 6.847 -13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.870 5.486 -12.443 1.00 0.00 H new ATOM 592 N THR A 64 13.686 5.091 -10.040 1.00 0.00 N ATOM 593 CA THR A 64 13.738 4.342 -8.781 1.00 0.00 C ATOM 594 C THR A 64 15.181 4.174 -8.313 1.00 0.00 C ATOM 595 O THR A 64 15.522 3.196 -7.648 1.00 0.00 O ATOM 596 CB THR A 64 13.097 2.955 -8.935 1.00 0.00 C ATOM 597 OG1 THR A 64 12.144 2.990 -9.987 1.00 0.00 O ATOM 598 CG2 THR A 64 12.405 2.561 -7.628 1.00 0.00 C ATOM 0 H THR A 64 13.287 6.026 -9.959 1.00 0.00 H new ATOM 0 HA THR A 64 13.178 4.913 -8.040 1.00 0.00 H new ATOM 0 HB THR A 64 13.869 2.222 -9.168 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.240 3.010 -9.609 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.951 1.576 -7.739 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.138 2.533 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.632 3.292 -7.391 1.00 0.00 H new ATOM 606 N ALA A 65 16.023 5.145 -8.657 1.00 0.00 N ATOM 607 CA ALA A 65 17.427 5.101 -8.256 1.00 0.00 C ATOM 608 C ALA A 65 17.594 5.776 -6.899 1.00 0.00 C ATOM 609 O ALA A 65 18.264 5.257 -6.005 1.00 0.00 O ATOM 610 CB ALA A 65 18.305 5.816 -9.284 1.00 0.00 C ATOM 0 H ALA A 65 15.762 5.964 -9.207 1.00 0.00 H new ATOM 0 HA ALA A 65 17.735 4.057 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.347 5.772 -8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.200 5.329 -10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.995 6.858 -9.366 1.00 0.00 H new ATOM 616 N GLY A 66 16.963 6.937 -6.757 1.00 0.00 N ATOM 617 CA GLY A 66 17.025 7.688 -5.507 1.00 0.00 C ATOM 618 C GLY A 66 15.745 8.499 -5.294 1.00 0.00 C ATOM 619 O GLY A 66 15.740 9.494 -4.570 1.00 0.00 O ATOM 0 H GLY A 66 16.405 7.377 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 66 17.169 7.002 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.886 8.357 -5.522 1.00 0.00 H new ATOM 623 N ILE A 67 14.658 8.065 -5.936 1.00 0.00 N ATOM 624 CA ILE A 67 13.378 8.758 -5.816 1.00 0.00 C ATOM 625 C ILE A 67 12.596 8.216 -4.627 1.00 0.00 C ATOM 626 O ILE A 67 11.885 8.950 -3.939 1.00 0.00 O ATOM 627 CB ILE A 67 12.541 8.563 -7.090 1.00 0.00 C ATOM 628 CG1 ILE A 67 13.421 8.758 -8.338 1.00 0.00 C ATOM 629 CG2 ILE A 67 11.391 9.574 -7.108 1.00 0.00 C ATOM 630 CD1 ILE A 67 14.039 10.161 -8.335 1.00 0.00 C ATOM 0 H ILE A 67 14.640 7.243 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 67 13.580 9.819 -5.671 1.00 0.00 H new ATOM 0 HB ILE A 67 12.136 7.551 -7.097 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.209 8.005 -8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.824 8.618 -9.239 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.798 9.435 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 67 10.759 9.422 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.796 10.586 -7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.659 10.287 -9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.245 10.908 -8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 67 14.652 10.286 -7.443 1.00 0.00 H new ATOM 642 N GLU A 68 12.737 6.916 -4.399 1.00 0.00 N ATOM 643 CA GLU A 68 12.043 6.258 -3.293 1.00 0.00 C ATOM 644 C GLU A 68 10.528 6.400 -3.441 1.00 0.00 C ATOM 645 O GLU A 68 9.793 6.390 -2.455 1.00 0.00 O ATOM 646 CB GLU A 68 12.472 6.862 -1.954 1.00 0.00 C ATOM 647 CG GLU A 68 13.866 6.353 -1.587 1.00 0.00 C ATOM 648 CD GLU A 68 14.902 7.003 -2.497 1.00 0.00 C ATOM 649 OE1 GLU A 68 15.176 6.442 -3.545 1.00 0.00 O ATOM 650 OE2 GLU A 68 15.407 8.053 -2.132 1.00 0.00 O ATOM 0 H GLU A 68 13.322 6.297 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 68 12.309 5.201 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.476 7.950 -2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.758 6.592 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.086 6.584 -0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.907 5.269 -1.689 1.00 0.00 H new ATOM 657 N LYS A 69 10.071 6.525 -4.686 1.00 0.00 N ATOM 658 CA LYS A 69 8.641 6.663 -4.956 1.00 0.00 C ATOM 659 C LYS A 69 8.324 6.188 -6.370 1.00 0.00 C ATOM 660 O LYS A 69 7.372 5.440 -6.592 1.00 0.00 O ATOM 661 CB LYS A 69 8.194 8.120 -4.813 1.00 0.00 C ATOM 662 CG LYS A 69 8.530 8.629 -3.409 1.00 0.00 C ATOM 663 CD LYS A 69 7.864 9.988 -3.186 1.00 0.00 C ATOM 664 CE LYS A 69 7.676 10.224 -1.686 1.00 0.00 C ATOM 665 NZ LYS A 69 6.417 9.568 -1.234 1.00 0.00 N ATOM 0 H LYS A 69 10.663 6.534 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 69 8.106 6.052 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.690 8.737 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.122 8.201 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.185 7.916 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.610 8.718 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.477 10.780 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.900 10.020 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.526 9.822 -1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.637 11.293 -1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.289 9.728 -0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.610 9.971 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.472 8.546 -1.420 1.00 0.00 H new ATOM 679 N ASP A 70 9.135 6.636 -7.326 1.00 0.00 N ATOM 680 CA ASP A 70 8.938 6.255 -8.722 1.00 0.00 C ATOM 681 C ASP A 70 9.060 4.744 -8.889 1.00 0.00 C ATOM 682 O ASP A 70 10.137 4.220 -9.175 1.00 0.00 O ATOM 683 CB ASP A 70 9.977 6.938 -9.613 1.00 0.00 C ATOM 684 CG ASP A 70 9.387 7.162 -11.001 1.00 0.00 C ATOM 685 OD1 ASP A 70 8.248 7.588 -11.075 1.00 0.00 O ATOM 686 OD2 ASP A 70 10.083 6.903 -11.969 1.00 0.00 O ATOM 0 H ASP A 70 9.927 7.257 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 70 7.938 6.572 -9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.277 7.890 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.874 6.322 -9.682 1.00 0.00 H new ATOM 691 N THR A 71 7.939 4.050 -8.708 1.00 0.00 N ATOM 692 CA THR A 71 7.926 2.596 -8.842 1.00 0.00 C ATOM 693 C THR A 71 6.518 2.107 -9.164 1.00 0.00 C ATOM 694 O THR A 71 5.736 1.787 -8.271 1.00 0.00 O ATOM 695 CB THR A 71 8.404 1.930 -7.547 1.00 0.00 C ATOM 696 OG1 THR A 71 8.246 0.522 -7.657 1.00 0.00 O ATOM 697 CG2 THR A 71 7.587 2.445 -6.357 1.00 0.00 C ATOM 0 H THR A 71 7.038 4.465 -8.471 1.00 0.00 H new ATOM 0 HA THR A 71 8.601 2.327 -9.655 1.00 0.00 H new ATOM 0 HB THR A 71 9.455 2.172 -7.387 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.516 0.228 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.935 1.965 -5.442 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.711 3.524 -6.271 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.533 2.212 -6.511 1.00 0.00 H new ATOM 705 N ASP A 72 6.203 2.058 -10.455 1.00 0.00 N ATOM 706 CA ASP A 72 4.885 1.610 -10.891 1.00 0.00 C ATOM 707 C ASP A 72 4.769 0.093 -10.783 1.00 0.00 C ATOM 708 O ASP A 72 3.995 -0.429 -9.981 1.00 0.00 O ATOM 709 CB ASP A 72 4.632 2.029 -12.340 1.00 0.00 C ATOM 710 CG ASP A 72 4.670 3.550 -12.444 1.00 0.00 C ATOM 711 OD1 ASP A 72 3.893 4.191 -11.757 1.00 0.00 O ATOM 712 OD2 ASP A 72 5.475 4.051 -13.213 1.00 0.00 O ATOM 0 H ASP A 72 6.836 2.320 -11.211 1.00 0.00 H new ATOM 0 HA ASP A 72 4.142 2.074 -10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.386 1.590 -12.993 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.664 1.655 -12.674 1.00 0.00 H new ATOM 717 N ILE A 73 5.550 -0.611 -11.599 1.00 0.00 N ATOM 718 CA ILE A 73 5.527 -2.072 -11.584 1.00 0.00 C ATOM 719 C ILE A 73 6.074 -2.591 -10.257 1.00 0.00 C ATOM 720 O ILE A 73 7.286 -2.625 -10.040 1.00 0.00 O ATOM 721 CB ILE A 73 6.371 -2.644 -12.729 1.00 0.00 C ATOM 722 CG1 ILE A 73 5.941 -2.008 -14.058 1.00 0.00 C ATOM 723 CG2 ILE A 73 6.169 -4.161 -12.798 1.00 0.00 C ATOM 724 CD1 ILE A 73 6.832 -2.524 -15.193 1.00 0.00 C ATOM 0 H ILE A 73 6.199 -0.201 -12.271 1.00 0.00 H new ATOM 0 HA ILE A 73 4.493 -2.393 -11.710 1.00 0.00 H new ATOM 0 HB ILE A 73 7.423 -2.422 -12.550 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.898 -2.247 -14.265 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.013 -0.922 -13.992 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.768 -4.571 -13.611 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.479 -4.613 -11.856 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.116 -4.380 -12.976 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.522 -2.069 -16.134 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.870 -2.263 -14.988 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.738 -3.608 -15.265 1.00 0.00 H new ATOM 736 N ASN A 74 5.166 -2.991 -9.371 1.00 0.00 N ATOM 737 CA ASN A 74 5.567 -3.506 -8.064 1.00 0.00 C ATOM 738 C ASN A 74 5.324 -5.009 -7.984 1.00 0.00 C ATOM 739 O ASN A 74 6.099 -5.747 -7.375 1.00 0.00 O ATOM 740 CB ASN A 74 4.776 -2.816 -6.950 1.00 0.00 C ATOM 741 CG ASN A 74 5.261 -1.379 -6.795 1.00 0.00 C ATOM 742 OD1 ASN A 74 6.208 -1.114 -6.055 1.00 0.00 O ATOM 743 ND2 ASN A 74 4.661 -0.427 -7.453 1.00 0.00 N ATOM 0 H ASN A 74 4.159 -2.969 -9.531 1.00 0.00 H new ATOM 0 HA ASN A 74 6.630 -3.302 -7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.712 -2.828 -7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.902 -3.357 -6.012 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.976 0.538 -7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.876 -0.647 -8.066 1.00 0.00 H new ATOM 750 N GLY A 75 4.235 -5.455 -8.605 1.00 0.00 N ATOM 751 CA GLY A 75 3.892 -6.874 -8.597 1.00 0.00 C ATOM 752 C GLY A 75 4.986 -7.702 -9.264 1.00 0.00 C ATOM 753 O GLY A 75 5.549 -7.305 -10.285 1.00 0.00 O ATOM 0 H GLY A 75 3.581 -4.861 -9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.749 -7.212 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.946 -7.027 -9.117 1.00 0.00 H new ATOM 757 N LYS A 76 5.276 -8.858 -8.676 1.00 0.00 N ATOM 758 CA LYS A 76 6.303 -9.743 -9.220 1.00 0.00 C ATOM 759 C LYS A 76 5.904 -10.225 -10.610 1.00 0.00 C ATOM 760 O LYS A 76 6.635 -10.037 -11.582 1.00 0.00 O ATOM 761 CB LYS A 76 6.500 -10.956 -8.309 1.00 0.00 C ATOM 762 CG LYS A 76 7.499 -10.611 -7.203 1.00 0.00 C ATOM 763 CD LYS A 76 7.337 -11.596 -6.044 1.00 0.00 C ATOM 764 CE LYS A 76 7.754 -12.995 -6.501 1.00 0.00 C ATOM 765 NZ LYS A 76 7.089 -14.016 -5.644 1.00 0.00 N ATOM 0 H LYS A 76 4.820 -9.203 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 76 7.235 -9.182 -9.283 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.547 -11.254 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.863 -11.804 -8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.517 -10.654 -7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.334 -9.592 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.947 -11.281 -5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.301 -11.607 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.478 -13.145 -7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.837 -13.102 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.372 -14.967 -5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.373 -13.876 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.057 -13.918 -5.725 1.00 0.00 H new ATOM 779 N TYR A 77 4.734 -10.851 -10.689 1.00 0.00 N ATOM 780 CA TYR A 77 4.239 -11.363 -11.964 1.00 0.00 C ATOM 781 C TYR A 77 2.720 -11.225 -12.037 1.00 0.00 C ATOM 782 O TYR A 77 2.017 -12.128 -12.487 1.00 0.00 O ATOM 783 CB TYR A 77 4.623 -12.834 -12.135 1.00 0.00 C ATOM 784 CG TYR A 77 6.070 -12.932 -12.556 1.00 0.00 C ATOM 785 CD1 TYR A 77 6.482 -12.381 -13.775 1.00 0.00 C ATOM 786 CD2 TYR A 77 6.999 -13.573 -11.726 1.00 0.00 C ATOM 787 CE1 TYR A 77 7.823 -12.471 -14.165 1.00 0.00 C ATOM 788 CE2 TYR A 77 8.340 -13.663 -12.117 1.00 0.00 C ATOM 789 CZ TYR A 77 8.752 -13.113 -13.336 1.00 0.00 C ATOM 790 OH TYR A 77 10.074 -13.202 -13.722 1.00 0.00 O ATOM 0 H TYR A 77 4.116 -11.015 -9.895 1.00 0.00 H new ATOM 0 HA TYR A 77 4.693 -10.779 -12.764 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.468 -13.372 -11.200 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.983 -13.303 -12.882 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.765 -11.887 -14.414 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.681 -13.997 -10.785 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.142 -12.046 -15.105 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.057 -14.157 -11.478 1.00 0.00 H new ATOM 0 HH TYR A 77 10.585 -13.676 -13.033 1.00 0.00 H new ATOM 800 N VAL A 78 2.226 -10.075 -11.588 1.00 0.00 N ATOM 801 CA VAL A 78 0.788 -9.816 -11.607 1.00 0.00 C ATOM 802 C VAL A 78 0.505 -8.312 -11.746 1.00 0.00 C ATOM 803 O VAL A 78 -0.579 -7.837 -11.406 1.00 0.00 O ATOM 804 CB VAL A 78 0.142 -10.358 -10.323 1.00 0.00 C ATOM 805 CG1 VAL A 78 0.645 -9.577 -9.103 1.00 0.00 C ATOM 806 CG2 VAL A 78 -1.381 -10.234 -10.414 1.00 0.00 C ATOM 0 H VAL A 78 2.792 -9.315 -11.210 1.00 0.00 H new ATOM 0 HA VAL A 78 0.357 -10.326 -12.469 1.00 0.00 H new ATOM 0 HB VAL A 78 0.416 -11.407 -10.212 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.179 -9.972 -8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.728 -9.679 -9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.387 -8.524 -9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.833 -10.620 -9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.654 -9.186 -10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.742 -10.807 -11.268 1.00 0.00 H new ATOM 816 N ALA A 79 1.488 -7.567 -12.248 1.00 0.00 N ATOM 817 CA ALA A 79 1.318 -6.129 -12.415 1.00 0.00 C ATOM 818 C ALA A 79 2.336 -5.575 -13.407 1.00 0.00 C ATOM 819 O ALA A 79 3.460 -6.065 -13.509 1.00 0.00 O ATOM 820 CB ALA A 79 1.487 -5.411 -11.075 1.00 0.00 C ATOM 0 H ALA A 79 2.395 -7.929 -12.541 1.00 0.00 H new ATOM 0 HA ALA A 79 0.312 -5.956 -12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.357 -4.338 -11.218 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.740 -5.776 -10.370 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.484 -5.606 -10.681 1.00 0.00 H new ATOM 826 N LYS A 80 1.923 -4.540 -14.127 1.00 0.00 N ATOM 827 CA LYS A 80 2.793 -3.899 -15.109 1.00 0.00 C ATOM 828 C LYS A 80 2.275 -2.493 -15.405 1.00 0.00 C ATOM 829 O LYS A 80 1.628 -2.254 -16.424 1.00 0.00 O ATOM 830 CB LYS A 80 2.834 -4.717 -16.409 1.00 0.00 C ATOM 831 CG LYS A 80 4.120 -5.554 -16.459 1.00 0.00 C ATOM 832 CD LYS A 80 3.801 -7.013 -16.125 1.00 0.00 C ATOM 833 CE LYS A 80 5.012 -7.660 -15.450 1.00 0.00 C ATOM 834 NZ LYS A 80 4.969 -9.135 -15.663 1.00 0.00 N ATOM 0 H LYS A 80 0.994 -4.126 -14.051 1.00 0.00 H new ATOM 0 HA LYS A 80 3.802 -3.843 -14.701 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.963 -5.369 -16.466 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.790 -4.050 -17.270 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.570 -5.488 -17.450 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.849 -5.160 -15.751 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.934 -7.065 -15.467 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.544 -7.557 -17.034 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.934 -7.249 -15.861 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.011 -7.435 -14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.792 -9.576 -15.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.095 -9.520 -15.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.990 -9.339 -16.683 1.00 0.00 H new ATOM 848 N VAL A 81 2.551 -1.569 -14.486 1.00 0.00 N ATOM 849 CA VAL A 81 2.088 -0.188 -14.645 1.00 0.00 C ATOM 850 C VAL A 81 3.256 0.752 -14.929 1.00 0.00 C ATOM 851 O VAL A 81 4.407 0.454 -14.615 1.00 0.00 O ATOM 852 CB VAL A 81 1.372 0.291 -13.378 1.00 0.00 C ATOM 853 CG1 VAL A 81 0.667 1.618 -13.664 1.00 0.00 C ATOM 854 CG2 VAL A 81 0.336 -0.753 -12.935 1.00 0.00 C ATOM 0 H VAL A 81 3.085 -1.745 -13.635 1.00 0.00 H new ATOM 0 HA VAL A 81 1.397 -0.172 -15.488 1.00 0.00 H new ATOM 0 HB VAL A 81 2.104 0.428 -12.582 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.157 1.960 -12.764 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.402 2.362 -13.970 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.061 1.478 -14.463 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.169 -0.405 -12.034 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.397 -0.898 -13.729 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.838 -1.698 -12.728 1.00 0.00 H new ATOM 864 N THR A 82 2.937 1.899 -15.525 1.00 0.00 N ATOM 865 CA THR A 82 3.954 2.899 -15.849 1.00 0.00 C ATOM 866 C THR A 82 3.297 4.254 -16.070 1.00 0.00 C ATOM 867 O THR A 82 2.099 4.345 -16.337 1.00 0.00 O ATOM 868 CB THR A 82 4.723 2.494 -17.110 1.00 0.00 C ATOM 869 OG1 THR A 82 5.228 1.175 -16.951 1.00 0.00 O ATOM 870 CG2 THR A 82 5.884 3.462 -17.342 1.00 0.00 C ATOM 0 H THR A 82 1.988 2.159 -15.793 1.00 0.00 H new ATOM 0 HA THR A 82 4.652 2.964 -15.014 1.00 0.00 H new ATOM 0 HB THR A 82 4.052 2.528 -17.968 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.305 0.967 -15.996 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.428 3.169 -18.240 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.496 4.473 -17.466 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.557 3.435 -16.485 1.00 0.00 H new ATOM 878 N THR A 83 4.096 5.307 -15.951 1.00 0.00 N ATOM 879 CA THR A 83 3.586 6.659 -16.130 1.00 0.00 C ATOM 880 C THR A 83 3.695 7.087 -17.589 1.00 0.00 C ATOM 881 O THR A 83 4.275 6.386 -18.418 1.00 0.00 O ATOM 882 CB THR A 83 4.377 7.639 -15.261 1.00 0.00 C ATOM 883 OG1 THR A 83 3.934 8.965 -15.517 1.00 0.00 O ATOM 884 CG2 THR A 83 5.868 7.525 -15.583 1.00 0.00 C ATOM 0 H THR A 83 5.091 5.252 -15.733 1.00 0.00 H new ATOM 0 HA THR A 83 2.537 6.667 -15.833 1.00 0.00 H new ATOM 0 HB THR A 83 4.217 7.400 -14.210 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.516 9.381 -16.187 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.429 8.224 -14.963 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.207 6.509 -15.382 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.032 7.761 -16.634 1.00 0.00 H new ATOM 892 N GLY A 84 3.128 8.251 -17.891 1.00 0.00 N ATOM 893 CA GLY A 84 3.165 8.769 -19.255 1.00 0.00 C ATOM 894 C GLY A 84 2.030 9.757 -19.505 1.00 0.00 C ATOM 895 O GLY A 84 0.949 9.638 -18.931 1.00 0.00 O ATOM 0 H GLY A 84 2.643 8.847 -17.220 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.122 9.259 -19.434 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.093 7.943 -19.962 1.00 0.00 H new ATOM 899 N GLY A 85 2.292 10.733 -20.375 1.00 0.00 N ATOM 900 CA GLY A 85 1.282 11.738 -20.702 1.00 0.00 C ATOM 901 C GLY A 85 1.914 13.114 -20.900 1.00 0.00 C ATOM 902 O GLY A 85 3.046 13.238 -21.367 1.00 0.00 O ATOM 0 H GLY A 85 3.182 10.848 -20.860 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.753 11.444 -21.609 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.542 11.787 -19.903 1.00 0.00 H new ATOM 906 N THR A 86 1.157 14.146 -20.533 1.00 0.00 N ATOM 907 CA THR A 86 1.622 15.523 -20.658 1.00 0.00 C ATOM 908 C THR A 86 0.975 16.368 -19.567 1.00 0.00 C ATOM 909 O THR A 86 -0.147 16.854 -19.718 1.00 0.00 O ATOM 910 CB THR A 86 1.251 16.095 -22.029 1.00 0.00 C ATOM 911 OG1 THR A 86 1.734 15.228 -23.046 1.00 0.00 O ATOM 912 CG2 THR A 86 1.881 17.477 -22.194 1.00 0.00 C ATOM 0 H THR A 86 0.218 14.053 -20.146 1.00 0.00 H new ATOM 0 HA THR A 86 2.707 15.541 -20.555 1.00 0.00 H new ATOM 0 HB THR A 86 0.167 16.181 -22.107 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.497 15.591 -23.925 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.616 17.883 -23.170 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.512 18.141 -21.412 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.965 17.394 -22.117 1.00 0.00 H new ATOM 920 N ALA A 87 1.684 16.507 -18.456 1.00 0.00 N ATOM 921 CA ALA A 87 1.166 17.262 -17.321 1.00 0.00 C ATOM 922 C ALA A 87 2.195 18.293 -16.835 1.00 0.00 C ATOM 923 O ALA A 87 3.034 18.750 -17.610 1.00 0.00 O ATOM 924 CB ALA A 87 0.808 16.290 -16.193 1.00 0.00 C ATOM 0 H ALA A 87 2.613 16.111 -18.315 1.00 0.00 H new ATOM 0 HA ALA A 87 0.273 17.805 -17.631 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.420 16.848 -15.341 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.050 15.589 -16.543 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.699 15.740 -15.891 1.00 0.00 H new ATOM 930 N ALA A 88 2.105 18.674 -15.546 1.00 0.00 N ATOM 931 CA ALA A 88 3.005 19.669 -14.956 1.00 0.00 C ATOM 932 C ALA A 88 2.517 21.059 -15.325 1.00 0.00 C ATOM 933 O ALA A 88 3.305 21.970 -15.580 1.00 0.00 O ATOM 934 CB ALA A 88 4.459 19.493 -15.422 1.00 0.00 C ATOM 0 H ALA A 88 1.413 18.302 -14.895 1.00 0.00 H new ATOM 0 HA ALA A 88 2.993 19.530 -13.875 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.085 20.254 -14.957 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.816 18.504 -15.134 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.509 19.596 -16.506 1.00 0.00 H new ATOM 940 N ALA A 89 1.194 21.206 -15.354 1.00 0.00 N ATOM 941 CA ALA A 89 0.593 22.490 -15.699 1.00 0.00 C ATOM 942 C ALA A 89 -0.929 22.440 -15.580 1.00 0.00 C ATOM 943 O ALA A 89 -1.550 23.366 -15.060 1.00 0.00 O ATOM 944 CB ALA A 89 0.964 22.885 -17.130 1.00 0.00 C ATOM 0 H ALA A 89 0.527 20.463 -15.146 1.00 0.00 H new ATOM 0 HA ALA A 89 0.979 23.230 -14.998 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.508 23.845 -17.372 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.048 22.966 -17.216 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.601 22.126 -17.823 1.00 0.00 H new ATOM 950 N SER A 90 -1.530 21.360 -16.079 1.00 0.00 N ATOM 951 CA SER A 90 -2.987 21.233 -16.023 1.00 0.00 C ATOM 952 C SER A 90 -3.426 19.797 -15.724 1.00 0.00 C ATOM 953 O SER A 90 -4.563 19.421 -16.004 1.00 0.00 O ATOM 954 CB SER A 90 -3.604 21.667 -17.352 1.00 0.00 C ATOM 955 OG SER A 90 -2.961 20.978 -18.417 1.00 0.00 O ATOM 0 H SER A 90 -1.045 20.577 -16.517 1.00 0.00 H new ATOM 0 HA SER A 90 -3.333 21.877 -15.214 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.673 21.452 -17.357 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.495 22.744 -17.482 1.00 0.00 H new ATOM 0 HG SER A 90 -3.356 21.253 -19.271 1.00 0.00 H new ATOM 961 N GLY A 91 -2.525 19.002 -15.140 1.00 0.00 N ATOM 962 CA GLY A 91 -2.845 17.610 -14.798 1.00 0.00 C ATOM 963 C GLY A 91 -3.396 16.839 -15.999 1.00 0.00 C ATOM 964 O GLY A 91 -4.563 16.982 -16.364 1.00 0.00 O ATOM 0 H GLY A 91 -1.578 19.292 -14.896 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.949 17.112 -14.427 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.576 17.594 -13.990 1.00 0.00 H new ATOM 968 N GLY A 92 -2.548 16.015 -16.605 1.00 0.00 N ATOM 969 CA GLY A 92 -2.971 15.228 -17.758 1.00 0.00 C ATOM 970 C GLY A 92 -2.041 14.046 -18.008 1.00 0.00 C ATOM 971 O GLY A 92 -1.629 13.799 -19.141 1.00 0.00 O ATOM 0 H GLY A 92 -1.578 15.875 -16.323 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.986 14.864 -17.597 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.996 15.864 -18.643 1.00 0.00 H new ATOM 975 N CYS A 93 -1.719 13.306 -16.949 1.00 0.00 N ATOM 976 CA CYS A 93 -0.843 12.143 -17.100 1.00 0.00 C ATOM 977 C CYS A 93 -1.675 10.889 -17.308 1.00 0.00 C ATOM 978 O CYS A 93 -2.423 10.475 -16.427 1.00 0.00 O ATOM 979 CB CYS A 93 0.042 11.922 -15.863 1.00 0.00 C ATOM 980 SG CYS A 93 1.329 13.198 -15.714 1.00 0.00 S ATOM 0 H CYS A 93 -2.042 13.483 -15.998 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.205 12.338 -17.962 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.579 11.926 -14.967 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.510 10.939 -15.922 1.00 0.00 H new ATOM 985 N THR A 94 -1.518 10.275 -18.476 1.00 0.00 N ATOM 986 CA THR A 94 -2.245 9.050 -18.783 1.00 0.00 C ATOM 987 C THR A 94 -1.403 7.839 -18.394 1.00 0.00 C ATOM 988 O THR A 94 -0.528 7.405 -19.144 1.00 0.00 O ATOM 989 CB THR A 94 -2.574 8.974 -20.276 1.00 0.00 C ATOM 990 OG1 THR A 94 -1.370 9.019 -21.031 1.00 0.00 O ATOM 991 CG2 THR A 94 -3.470 10.153 -20.661 1.00 0.00 C ATOM 0 H THR A 94 -0.900 10.602 -19.219 1.00 0.00 H new ATOM 0 HA THR A 94 -3.176 9.053 -18.216 1.00 0.00 H new ATOM 0 HB THR A 94 -3.096 8.041 -20.487 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.677 8.500 -20.573 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.705 10.100 -21.724 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.393 10.112 -20.083 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.951 11.088 -20.451 1.00 0.00 H new ATOM 999 N ILE A 95 -1.678 7.299 -17.210 1.00 0.00 N ATOM 1000 CA ILE A 95 -0.939 6.138 -16.723 1.00 0.00 C ATOM 1001 C ILE A 95 -1.682 4.866 -17.105 1.00 0.00 C ATOM 1002 O ILE A 95 -2.908 4.805 -17.047 1.00 0.00 O ATOM 1003 CB ILE A 95 -0.768 6.220 -15.197 1.00 0.00 C ATOM 1004 CG1 ILE A 95 0.040 7.474 -14.858 1.00 0.00 C ATOM 1005 CG2 ILE A 95 -0.018 4.989 -14.658 1.00 0.00 C ATOM 1006 CD1 ILE A 95 -0.862 8.706 -14.873 1.00 0.00 C ATOM 0 H ILE A 95 -2.399 7.642 -16.576 1.00 0.00 H new ATOM 0 HA ILE A 95 0.051 6.124 -17.180 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.756 6.257 -14.738 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.500 7.364 -13.876 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.849 7.599 -15.577 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.089 5.073 -13.577 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.580 4.087 -14.898 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.969 4.934 -15.117 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.274 9.591 -14.630 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.301 8.823 -15.864 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.656 8.585 -14.136 1.00 0.00 H new ATOM 1018 N VAL A 96 -0.922 3.855 -17.507 1.00 0.00 N ATOM 1019 CA VAL A 96 -1.521 2.587 -17.911 1.00 0.00 C ATOM 1020 C VAL A 96 -1.056 1.453 -17.006 1.00 0.00 C ATOM 1021 O VAL A 96 0.134 1.145 -16.929 1.00 0.00 O ATOM 1022 CB VAL A 96 -1.142 2.250 -19.355 1.00 0.00 C ATOM 1023 CG1 VAL A 96 -1.950 1.041 -19.829 1.00 0.00 C ATOM 1024 CG2 VAL A 96 -1.442 3.449 -20.260 1.00 0.00 C ATOM 0 H VAL A 96 0.096 3.885 -17.562 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.603 2.694 -17.829 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.078 2.017 -19.402 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.679 0.803 -20.857 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.734 0.185 -19.189 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.014 1.272 -19.779 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.171 3.206 -21.287 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.505 3.685 -20.211 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.864 4.310 -19.926 1.00 0.00 H new ATOM 1034 N ALA A 97 -2.014 0.824 -16.334 1.00 0.00 N ATOM 1035 CA ALA A 97 -1.705 -0.294 -15.450 1.00 0.00 C ATOM 1036 C ALA A 97 -2.034 -1.603 -16.156 1.00 0.00 C ATOM 1037 O ALA A 97 -3.008 -1.687 -16.901 1.00 0.00 O ATOM 1038 CB ALA A 97 -2.517 -0.202 -14.156 1.00 0.00 C ATOM 0 H ALA A 97 -3.003 1.067 -16.383 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.644 -0.258 -15.202 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.271 -1.046 -13.511 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.278 0.729 -13.642 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.581 -0.224 -14.392 1.00 0.00 H new ATOM 1044 N THR A 98 -1.213 -2.623 -15.930 1.00 0.00 N ATOM 1045 CA THR A 98 -1.443 -3.912 -16.574 1.00 0.00 C ATOM 1046 C THR A 98 -1.330 -5.057 -15.574 1.00 0.00 C ATOM 1047 O THR A 98 -0.587 -4.984 -14.596 1.00 0.00 O ATOM 1048 CB THR A 98 -0.435 -4.132 -17.704 1.00 0.00 C ATOM 1049 OG1 THR A 98 -0.423 -2.993 -18.553 1.00 0.00 O ATOM 1050 CG2 THR A 98 -0.831 -5.369 -18.512 1.00 0.00 C ATOM 0 H THR A 98 -0.398 -2.586 -15.318 1.00 0.00 H new ATOM 0 HA THR A 98 -2.454 -3.899 -16.981 1.00 0.00 H new ATOM 0 HB THR A 98 0.558 -4.282 -17.281 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.206 -2.329 -18.201 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.112 -5.524 -19.316 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.840 -6.242 -17.860 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.824 -5.224 -18.937 1.00 0.00 H new ATOM 1058 N MET A 99 -2.082 -6.117 -15.845 1.00 0.00 N ATOM 1059 CA MET A 99 -2.084 -7.300 -14.990 1.00 0.00 C ATOM 1060 C MET A 99 -1.752 -8.527 -15.827 1.00 0.00 C ATOM 1061 O MET A 99 -2.561 -8.969 -16.643 1.00 0.00 O ATOM 1062 CB MET A 99 -3.463 -7.495 -14.366 1.00 0.00 C ATOM 1063 CG MET A 99 -3.824 -6.272 -13.523 1.00 0.00 C ATOM 1064 SD MET A 99 -4.824 -6.781 -12.102 1.00 0.00 S ATOM 1065 CE MET A 99 -6.112 -5.523 -12.268 1.00 0.00 C ATOM 0 H MET A 99 -2.701 -6.182 -16.653 1.00 0.00 H new ATOM 0 HA MET A 99 -1.343 -7.166 -14.202 1.00 0.00 H new ATOM 0 HB2 MET A 99 -4.209 -7.643 -15.147 1.00 0.00 H new ATOM 0 HB3 MET A 99 -3.469 -8.391 -13.745 1.00 0.00 H new ATOM 0 HG2 MET A 99 -2.917 -5.774 -13.181 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.375 -5.552 -14.128 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.850 -5.652 -11.477 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.665 -4.532 -12.190 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.598 -5.626 -13.238 1.00 0.00 H new ATOM 1075 N LYS A 100 -0.551 -9.061 -15.643 1.00 0.00 N ATOM 1076 CA LYS A 100 -0.133 -10.223 -16.419 1.00 0.00 C ATOM 1077 C LYS A 100 0.404 -11.323 -15.514 1.00 0.00 C ATOM 1078 O LYS A 100 0.991 -11.057 -14.468 1.00 0.00 O ATOM 1079 CB LYS A 100 0.950 -9.816 -17.414 1.00 0.00 C ATOM 1080 CG LYS A 100 0.386 -8.769 -18.381 1.00 0.00 C ATOM 1081 CD LYS A 100 -0.004 -9.451 -19.693 1.00 0.00 C ATOM 1082 CE LYS A 100 -0.408 -8.393 -20.722 1.00 0.00 C ATOM 1083 NZ LYS A 100 -0.030 -8.858 -22.087 1.00 0.00 N ATOM 0 H LYS A 100 0.140 -8.717 -14.976 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.004 -10.606 -16.952 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.812 -9.411 -16.884 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.297 -10.688 -17.967 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.483 -8.280 -17.940 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.128 -7.993 -18.568 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.832 -10.040 -20.071 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.830 -10.142 -19.524 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.482 -8.213 -20.672 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.085 -7.447 -20.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.304 -8.139 -22.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.998 -9.009 -22.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.520 -9.751 -22.298 1.00 0.00 H new ATOM 1097 N ALA A 101 0.195 -12.567 -15.938 1.00 0.00 N ATOM 1098 CA ALA A 101 0.658 -13.720 -15.167 1.00 0.00 C ATOM 1099 C ALA A 101 0.026 -13.726 -13.778 1.00 0.00 C ATOM 1100 O ALA A 101 0.634 -14.169 -12.805 1.00 0.00 O ATOM 1101 CB ALA A 101 2.181 -13.689 -15.021 1.00 0.00 C ATOM 0 H ALA A 101 -0.288 -12.803 -16.805 1.00 0.00 H new ATOM 0 HA ALA A 101 0.362 -14.622 -15.703 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.509 -14.554 -14.445 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.642 -13.715 -16.008 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.479 -12.776 -14.506 1.00 0.00 H new ATOM 1107 N SER A 102 -1.204 -13.226 -13.700 1.00 0.00 N ATOM 1108 CA SER A 102 -1.913 -13.174 -12.426 1.00 0.00 C ATOM 1109 C SER A 102 -2.507 -14.559 -12.097 1.00 0.00 C ATOM 1110 O SER A 102 -1.882 -15.580 -12.382 1.00 0.00 O ATOM 1111 CB SER A 102 -3.010 -12.103 -12.505 1.00 0.00 C ATOM 1112 OG SER A 102 -3.490 -11.823 -11.197 1.00 0.00 O ATOM 0 H SER A 102 -1.725 -12.855 -14.494 1.00 0.00 H new ATOM 0 HA SER A 102 -1.222 -12.909 -11.626 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.616 -11.195 -12.962 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.827 -12.449 -13.138 1.00 0.00 H new ATOM 0 HG SER A 102 -3.805 -10.896 -11.156 1.00 0.00 H new ATOM 1118 N ASP A 103 -3.709 -14.603 -11.502 1.00 0.00 N ATOM 1119 CA ASP A 103 -4.331 -15.881 -11.163 1.00 0.00 C ATOM 1120 C ASP A 103 -5.781 -15.663 -10.734 1.00 0.00 C ATOM 1121 O ASP A 103 -6.302 -16.360 -9.864 1.00 0.00 O ATOM 1122 CB ASP A 103 -3.565 -16.564 -10.023 1.00 0.00 C ATOM 1123 CG ASP A 103 -2.554 -17.549 -10.602 1.00 0.00 C ATOM 1124 OD1 ASP A 103 -2.982 -18.556 -11.144 1.00 0.00 O ATOM 1125 OD2 ASP A 103 -1.368 -17.284 -10.494 1.00 0.00 O ATOM 0 H ASP A 103 -4.258 -13.781 -11.251 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.304 -16.519 -12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -3.053 -15.817 -9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.261 -17.086 -9.366 1.00 0.00 H new ATOM 1130 N VAL A 104 -6.429 -14.682 -11.359 1.00 0.00 N ATOM 1131 CA VAL A 104 -7.819 -14.375 -11.036 1.00 0.00 C ATOM 1132 C VAL A 104 -8.759 -15.361 -11.723 1.00 0.00 C ATOM 1133 O VAL A 104 -8.346 -16.138 -12.585 1.00 0.00 O ATOM 1134 CB VAL A 104 -8.172 -12.947 -11.474 1.00 0.00 C ATOM 1135 CG1 VAL A 104 -7.281 -11.954 -10.723 1.00 0.00 C ATOM 1136 CG2 VAL A 104 -7.954 -12.791 -12.987 1.00 0.00 C ATOM 0 H VAL A 104 -6.019 -14.093 -12.084 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.939 -14.458 -9.956 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.219 -12.749 -11.245 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.528 -10.938 -11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.444 -12.058 -9.650 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.235 -12.158 -10.952 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.207 -11.774 -13.288 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.910 -12.991 -13.227 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.590 -13.497 -13.521 1.00 0.00 H new ATOM 1146 N ALA A 105 -10.030 -15.320 -11.332 1.00 0.00 N ATOM 1147 CA ALA A 105 -11.025 -16.213 -11.918 1.00 0.00 C ATOM 1148 C ALA A 105 -11.164 -15.946 -13.413 1.00 0.00 C ATOM 1149 O ALA A 105 -10.768 -14.890 -13.903 1.00 0.00 O ATOM 1150 CB ALA A 105 -12.386 -16.012 -11.247 1.00 0.00 C ATOM 0 H ALA A 105 -10.392 -14.686 -10.620 1.00 0.00 H new ATOM 0 HA ALA A 105 -10.691 -17.239 -11.761 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -13.116 -16.686 -11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.302 -16.226 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -12.711 -14.981 -11.385 1.00 0.00 H new ATOM 1156 N THR A 106 -11.730 -16.921 -14.123 1.00 0.00 N ATOM 1157 CA THR A 106 -11.928 -16.804 -15.572 1.00 0.00 C ATOM 1158 C THR A 106 -10.588 -16.587 -16.285 1.00 0.00 C ATOM 1159 O THR A 106 -9.608 -16.180 -15.663 1.00 0.00 O ATOM 1160 CB THR A 106 -12.882 -15.646 -15.921 1.00 0.00 C ATOM 1161 OG1 THR A 106 -12.187 -14.409 -15.846 1.00 0.00 O ATOM 1162 CG2 THR A 106 -14.069 -15.626 -14.952 1.00 0.00 C ATOM 0 H THR A 106 -12.060 -17.799 -13.722 1.00 0.00 H new ATOM 0 HA THR A 106 -12.375 -17.738 -15.912 1.00 0.00 H new ATOM 0 HB THR A 106 -13.253 -15.793 -16.935 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.906 -14.247 -14.921 1.00 0.00 H new ATOM 0 HG21 THR A 106 -14.735 -14.803 -15.210 1.00 0.00 H new ATOM 0 HG22 THR A 106 -14.612 -16.568 -15.023 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.705 -15.493 -13.933 1.00 0.00 H new ATOM 1170 N PRO A 107 -10.524 -16.856 -17.601 1.00 0.00 N ATOM 1171 CA PRO A 107 -9.279 -16.680 -18.372 1.00 0.00 C ATOM 1172 C PRO A 107 -9.040 -15.231 -18.806 1.00 0.00 C ATOM 1173 O PRO A 107 -7.957 -14.887 -19.282 1.00 0.00 O ATOM 1174 CB PRO A 107 -9.517 -17.575 -19.582 1.00 0.00 C ATOM 1175 CG PRO A 107 -11.026 -17.721 -19.743 1.00 0.00 C ATOM 1176 CD PRO A 107 -11.670 -17.350 -18.403 1.00 0.00 C ATOM 0 HA PRO A 107 -8.393 -16.931 -17.790 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.075 -17.138 -20.477 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -9.049 -18.549 -19.438 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.392 -17.070 -20.537 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.285 -18.742 -20.023 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.437 -16.585 -18.523 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -12.148 -18.210 -17.934 1.00 0.00 H new ATOM 1184 N LEU A 108 -10.058 -14.382 -18.640 1.00 0.00 N ATOM 1185 CA LEU A 108 -9.941 -12.972 -19.021 1.00 0.00 C ATOM 1186 C LEU A 108 -8.723 -12.313 -18.366 1.00 0.00 C ATOM 1187 O LEU A 108 -8.202 -11.317 -18.866 1.00 0.00 O ATOM 1188 CB LEU A 108 -11.198 -12.206 -18.609 1.00 0.00 C ATOM 1189 CG LEU A 108 -12.511 -12.768 -19.159 1.00 0.00 C ATOM 1190 CD1 LEU A 108 -13.690 -12.054 -18.497 1.00 0.00 C ATOM 1191 CD2 LEU A 108 -12.565 -12.546 -20.672 1.00 0.00 C ATOM 0 H LEU A 108 -10.963 -14.643 -18.249 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.820 -12.937 -20.104 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.255 -12.191 -17.521 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -11.098 -11.171 -18.937 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.567 -13.835 -18.945 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -14.625 -12.455 -18.889 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.652 -12.211 -17.419 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.635 -10.986 -18.710 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.500 -12.946 -21.065 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.509 -11.479 -20.885 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.725 -13.055 -21.145 1.00 0.00 H new ATOM 1203 N ARG A 109 -8.278 -12.875 -17.240 1.00 0.00 N ATOM 1204 CA ARG A 109 -7.122 -12.326 -16.530 1.00 0.00 C ATOM 1205 C ARG A 109 -7.403 -10.895 -16.082 1.00 0.00 C ATOM 1206 O ARG A 109 -8.499 -10.371 -16.280 1.00 0.00 O ATOM 1207 CB ARG A 109 -5.882 -12.335 -17.430 1.00 0.00 C ATOM 1208 CG ARG A 109 -5.160 -13.678 -17.294 1.00 0.00 C ATOM 1209 CD ARG A 109 -3.930 -13.708 -18.210 1.00 0.00 C ATOM 1210 NE ARG A 109 -3.974 -14.876 -19.093 1.00 0.00 N ATOM 1211 CZ ARG A 109 -2.902 -15.290 -19.781 1.00 0.00 C ATOM 1212 NH1 ARG A 109 -1.753 -14.660 -19.696 1.00 0.00 N ATOM 1213 NH2 ARG A 109 -3.001 -16.337 -20.553 1.00 0.00 N ATOM 0 H ARG A 109 -8.694 -13.699 -16.805 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.937 -12.951 -15.656 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -6.172 -12.170 -18.468 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -5.213 -11.521 -17.152 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.856 -13.834 -16.259 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.837 -14.492 -17.554 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -3.891 -12.796 -18.806 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.022 -13.734 -17.608 1.00 0.00 H new ATOM 0 HE ARG A 109 -4.850 -15.391 -19.187 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.665 -13.839 -19.098 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -0.949 -14.992 -20.228 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -3.889 -16.833 -20.629 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -2.190 -16.660 -21.081 1.00 0.00 H new ATOM 1227 N GLY A 110 -6.400 -10.268 -15.471 1.00 0.00 N ATOM 1228 CA GLY A 110 -6.554 -8.896 -14.996 1.00 0.00 C ATOM 1229 C GLY A 110 -6.737 -7.933 -16.165 1.00 0.00 C ATOM 1230 O GLY A 110 -7.708 -7.179 -16.204 1.00 0.00 O ATOM 0 H GLY A 110 -5.484 -10.681 -15.295 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.414 -8.832 -14.329 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -5.678 -8.607 -14.415 1.00 0.00 H new ATOM 1234 N LYS A 111 -5.791 -7.967 -17.120 1.00 0.00 N ATOM 1235 CA LYS A 111 -5.835 -7.100 -18.310 1.00 0.00 C ATOM 1236 C LYS A 111 -5.221 -5.733 -17.989 1.00 0.00 C ATOM 1237 O LYS A 111 -4.435 -5.606 -17.050 1.00 0.00 O ATOM 1238 CB LYS A 111 -7.270 -6.932 -18.856 1.00 0.00 C ATOM 1239 CG LYS A 111 -7.993 -8.288 -18.876 1.00 0.00 C ATOM 1240 CD LYS A 111 -8.428 -8.627 -20.306 1.00 0.00 C ATOM 1241 CE LYS A 111 -7.353 -9.484 -20.981 1.00 0.00 C ATOM 1242 NZ LYS A 111 -7.246 -9.104 -22.418 1.00 0.00 N ATOM 0 H LYS A 111 -4.983 -8.589 -17.090 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.249 -7.585 -19.091 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.823 -6.226 -18.236 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -7.237 -6.514 -19.862 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.334 -9.067 -18.493 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.863 -8.256 -18.220 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.377 -9.162 -20.291 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.588 -7.711 -20.875 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.394 -9.342 -20.484 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.605 -10.541 -20.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.516 -9.685 -22.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.160 -9.261 -22.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.987 -8.100 -22.493 1.00 0.00 H new ATOM 1256 N THR A 112 -5.556 -4.715 -18.784 1.00 0.00 N ATOM 1257 CA THR A 112 -4.991 -3.383 -18.565 1.00 0.00 C ATOM 1258 C THR A 112 -6.007 -2.433 -17.935 1.00 0.00 C ATOM 1259 O THR A 112 -7.202 -2.715 -17.879 1.00 0.00 O ATOM 1260 CB THR A 112 -4.503 -2.784 -19.886 1.00 0.00 C ATOM 1261 OG1 THR A 112 -5.616 -2.543 -20.734 1.00 0.00 O ATOM 1262 CG2 THR A 112 -3.541 -3.757 -20.567 1.00 0.00 C ATOM 0 H THR A 112 -6.202 -4.784 -19.570 1.00 0.00 H new ATOM 0 HA THR A 112 -4.153 -3.501 -17.878 1.00 0.00 H new ATOM 0 HB THR A 112 -3.985 -1.845 -19.690 1.00 0.00 H new ATOM 0 HG1 THR A 112 -5.366 -1.894 -21.425 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.195 -3.328 -21.507 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.687 -3.940 -19.915 1.00 0.00 H new ATOM 0 HG23 THR A 112 -4.054 -4.698 -20.765 1.00 0.00 H new ATOM 1270 N LEU A 113 -5.496 -1.296 -17.462 1.00 0.00 N ATOM 1271 CA LEU A 113 -6.332 -0.281 -16.829 1.00 0.00 C ATOM 1272 C LEU A 113 -5.608 1.064 -16.833 1.00 0.00 C ATOM 1273 O LEU A 113 -4.611 1.250 -16.136 1.00 0.00 O ATOM 1274 CB LEU A 113 -6.657 -0.684 -15.384 1.00 0.00 C ATOM 1275 CG LEU A 113 -7.366 0.394 -14.538 1.00 0.00 C ATOM 1276 CD1 LEU A 113 -8.686 -0.157 -13.985 1.00 0.00 C ATOM 1277 CD2 LEU A 113 -6.463 0.815 -13.372 1.00 0.00 C ATOM 0 H LEU A 113 -4.506 -1.056 -17.506 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.262 -0.195 -17.391 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.285 -1.575 -15.406 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.728 -0.961 -14.885 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.573 1.258 -15.169 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.180 0.611 -13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.334 -0.447 -14.812 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -8.484 -1.027 -13.360 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.968 1.576 -12.777 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.249 -0.051 -12.746 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.529 1.220 -13.763 1.00 0.00 H new ATOM 1289 N THR A 114 -6.118 1.998 -17.633 1.00 0.00 N ATOM 1290 CA THR A 114 -5.507 3.320 -17.725 1.00 0.00 C ATOM 1291 C THR A 114 -6.304 4.337 -16.905 1.00 0.00 C ATOM 1292 O THR A 114 -7.526 4.426 -17.009 1.00 0.00 O ATOM 1293 CB THR A 114 -5.438 3.771 -19.194 1.00 0.00 C ATOM 1294 OG1 THR A 114 -4.651 2.844 -19.929 1.00 0.00 O ATOM 1295 CG2 THR A 114 -4.808 5.167 -19.305 1.00 0.00 C ATOM 0 H THR A 114 -6.942 1.866 -18.219 1.00 0.00 H new ATOM 0 HA THR A 114 -4.496 3.261 -17.322 1.00 0.00 H new ATOM 0 HB THR A 114 -6.450 3.811 -19.596 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.485 3.197 -20.828 1.00 0.00 H new ATOM 0 HG21 THR A 114 -4.769 5.466 -20.352 1.00 0.00 H new ATOM 0 HG22 THR A 114 -5.409 5.883 -18.745 1.00 0.00 H new ATOM 0 HG23 THR A 114 -3.798 5.144 -18.896 1.00 0.00 H new ATOM 1303 N LEU A 115 -5.584 5.103 -16.091 1.00 0.00 N ATOM 1304 CA LEU A 115 -6.204 6.124 -15.251 1.00 0.00 C ATOM 1305 C LEU A 115 -5.433 7.434 -15.411 1.00 0.00 C ATOM 1306 O LEU A 115 -4.239 7.501 -15.114 1.00 0.00 O ATOM 1307 CB LEU A 115 -6.156 5.701 -13.780 1.00 0.00 C ATOM 1308 CG LEU A 115 -7.350 4.879 -13.289 1.00 0.00 C ATOM 1309 CD1 LEU A 115 -8.615 5.740 -13.316 1.00 0.00 C ATOM 1310 CD2 LEU A 115 -7.542 3.657 -14.189 1.00 0.00 C ATOM 0 H LEU A 115 -4.571 5.037 -15.995 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.243 6.252 -15.555 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.247 5.122 -13.617 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.077 6.598 -13.165 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.161 4.548 -12.268 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.463 5.152 -12.966 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.480 6.605 -12.666 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.804 6.078 -14.335 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.393 3.075 -13.836 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.726 3.984 -15.212 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.644 3.040 -14.161 1.00 0.00 H new ATOM 1322 N THR A 116 -6.113 8.472 -15.890 1.00 0.00 N ATOM 1323 CA THR A 116 -5.452 9.760 -16.086 1.00 0.00 C ATOM 1324 C THR A 116 -5.519 10.603 -14.814 1.00 0.00 C ATOM 1325 O THR A 116 -6.270 10.295 -13.891 1.00 0.00 O ATOM 1326 CB THR A 116 -6.101 10.535 -17.236 1.00 0.00 C ATOM 1327 OG1 THR A 116 -6.514 9.625 -18.245 1.00 0.00 O ATOM 1328 CG2 THR A 116 -5.092 11.522 -17.819 1.00 0.00 C ATOM 0 H THR A 116 -7.100 8.450 -16.145 1.00 0.00 H new ATOM 0 HA THR A 116 -4.409 9.560 -16.331 1.00 0.00 H new ATOM 0 HB THR A 116 -6.967 11.081 -16.864 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.931 10.120 -18.981 1.00 0.00 H new ATOM 0 HG21 THR A 116 -5.554 12.074 -18.638 1.00 0.00 H new ATOM 0 HG22 THR A 116 -4.776 12.220 -17.044 1.00 0.00 H new ATOM 0 HG23 THR A 116 -4.225 10.978 -18.192 1.00 0.00 H new ATOM 1336 N LEU A 117 -4.721 11.670 -14.778 1.00 0.00 N ATOM 1337 CA LEU A 117 -4.693 12.557 -13.616 1.00 0.00 C ATOM 1338 C LEU A 117 -5.054 13.980 -14.032 1.00 0.00 C ATOM 1339 O LEU A 117 -4.455 14.541 -14.948 1.00 0.00 O ATOM 1340 CB LEU A 117 -3.300 12.569 -12.979 1.00 0.00 C ATOM 1341 CG LEU A 117 -3.287 12.793 -11.461 1.00 0.00 C ATOM 1342 CD1 LEU A 117 -2.255 11.870 -10.804 1.00 0.00 C ATOM 1343 CD2 LEU A 117 -2.931 14.254 -11.149 1.00 0.00 C ATOM 0 H LEU A 117 -4.091 11.939 -15.533 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.419 12.186 -12.892 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.809 11.621 -13.196 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.706 13.351 -13.452 1.00 0.00 H new ATOM 0 HG LEU A 117 -4.278 12.569 -11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.252 12.036 -9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.512 10.831 -11.011 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.265 12.086 -11.207 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.924 14.404 -10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.945 14.483 -11.554 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.671 14.914 -11.602 1.00 0.00 H new ATOM 1355 N GLY A 118 -6.041 14.557 -13.353 1.00 0.00 N ATOM 1356 CA GLY A 118 -6.469 15.919 -13.672 1.00 0.00 C ATOM 1357 C GLY A 118 -6.439 16.817 -12.436 1.00 0.00 C ATOM 1358 O GLY A 118 -7.478 17.267 -11.954 1.00 0.00 O ATOM 0 H GLY A 118 -6.553 14.114 -12.591 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.819 16.335 -14.442 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -7.478 15.898 -14.084 1.00 0.00 H new ATOM 1362 N ASN A 119 -5.238 17.080 -11.932 1.00 0.00 N ATOM 1363 CA ASN A 119 -5.094 17.935 -10.753 1.00 0.00 C ATOM 1364 C ASN A 119 -5.201 19.415 -11.148 1.00 0.00 C ATOM 1365 O ASN A 119 -5.615 20.257 -10.349 1.00 0.00 O ATOM 1366 CB ASN A 119 -3.755 17.649 -10.024 1.00 0.00 C ATOM 1367 CG ASN A 119 -2.577 18.384 -10.680 1.00 0.00 C ATOM 1368 OD1 ASN A 119 -2.016 19.309 -10.093 1.00 0.00 O ATOM 1369 ND2 ASN A 119 -2.167 18.024 -11.864 1.00 0.00 N ATOM 0 H ASN A 119 -4.362 16.722 -12.312 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.905 17.707 -10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.837 17.954 -8.981 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -3.561 16.576 -10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -1.383 18.509 -12.301 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.630 17.258 -12.353 1.00 0.00 H new ATOM 1376 N ALA A 120 -4.827 19.715 -12.393 1.00 0.00 N ATOM 1377 CA ALA A 120 -4.885 21.086 -12.901 1.00 0.00 C ATOM 1378 C ALA A 120 -3.898 21.981 -12.159 1.00 0.00 C ATOM 1379 O ALA A 120 -4.163 23.160 -11.921 1.00 0.00 O ATOM 1380 CB ALA A 120 -6.296 21.657 -12.752 1.00 0.00 C ATOM 0 H ALA A 120 -4.482 19.030 -13.065 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.618 21.060 -13.957 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.318 22.677 -13.135 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.999 21.042 -13.315 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.578 21.659 -11.699 1.00 0.00 H new ATOM 1386 N ASP A 121 -2.752 21.405 -11.799 1.00 0.00 N ATOM 1387 CA ASP A 121 -1.701 22.135 -11.083 1.00 0.00 C ATOM 1388 C ASP A 121 -2.122 22.427 -9.647 1.00 0.00 C ATOM 1389 O ASP A 121 -1.485 21.977 -8.695 1.00 0.00 O ATOM 1390 CB ASP A 121 -1.363 23.456 -11.788 1.00 0.00 C ATOM 1391 CG ASP A 121 -0.085 24.037 -11.193 1.00 0.00 C ATOM 1392 OD1 ASP A 121 0.982 23.606 -11.597 1.00 0.00 O ATOM 1393 OD2 ASP A 121 -0.193 24.905 -10.342 1.00 0.00 O ATOM 0 H ASP A 121 -2.525 20.429 -11.992 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.815 21.500 -11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -1.235 23.288 -12.857 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -2.185 24.163 -11.673 1.00 0.00 H new ATOM 1398 N LYS A 122 -3.197 23.188 -9.503 1.00 0.00 N ATOM 1399 CA LYS A 122 -3.695 23.542 -8.177 1.00 0.00 C ATOM 1400 C LYS A 122 -5.219 23.426 -8.118 1.00 0.00 C ATOM 1401 O LYS A 122 -5.905 24.293 -7.573 1.00 0.00 O ATOM 1402 CB LYS A 122 -3.282 24.973 -7.817 1.00 0.00 C ATOM 1403 CG LYS A 122 -3.764 25.933 -8.907 1.00 0.00 C ATOM 1404 CD LYS A 122 -3.022 27.266 -8.777 1.00 0.00 C ATOM 1405 CE LYS A 122 -3.900 28.394 -9.322 1.00 0.00 C ATOM 1406 NZ LYS A 122 -4.704 28.978 -8.212 1.00 0.00 N ATOM 0 H LYS A 122 -3.738 23.570 -10.278 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.259 22.846 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.709 25.255 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.199 25.036 -7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.587 25.501 -9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.839 26.092 -8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.774 27.456 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -2.081 27.226 -9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.279 29.164 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.560 28.012 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.301 29.745 -8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.307 28.240 -7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.066 29.357 -7.483 1.00 0.00 H new ATOM 1420 N GLY A 123 -5.743 22.338 -8.677 1.00 0.00 N ATOM 1421 CA GLY A 123 -7.186 22.114 -8.671 1.00 0.00 C ATOM 1422 C GLY A 123 -7.592 21.337 -7.425 1.00 0.00 C ATOM 1423 O GLY A 123 -7.505 21.844 -6.306 1.00 0.00 O ATOM 0 H GLY A 123 -5.199 21.607 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.710 23.069 -8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.480 21.563 -9.564 1.00 0.00 H new ATOM 1427 N SER A 124 -8.026 20.098 -7.628 1.00 0.00 N ATOM 1428 CA SER A 124 -8.431 19.256 -6.503 1.00 0.00 C ATOM 1429 C SER A 124 -8.251 17.772 -6.824 1.00 0.00 C ATOM 1430 O SER A 124 -8.880 16.915 -6.205 1.00 0.00 O ATOM 1431 CB SER A 124 -9.892 19.514 -6.138 1.00 0.00 C ATOM 1432 OG SER A 124 -10.094 19.204 -4.765 1.00 0.00 O ATOM 0 H SER A 124 -8.107 19.658 -8.544 1.00 0.00 H new ATOM 0 HA SER A 124 -7.791 19.514 -5.659 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.148 20.556 -6.329 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.548 18.905 -6.761 1.00 0.00 H new ATOM 0 HG SER A 124 -9.787 18.290 -4.587 1.00 0.00 H new ATOM 1438 N TYR A 125 -7.368 17.483 -7.780 1.00 0.00 N ATOM 1439 CA TYR A 125 -7.084 16.105 -8.175 1.00 0.00 C ATOM 1440 C TYR A 125 -8.334 15.377 -8.667 1.00 0.00 C ATOM 1441 O TYR A 125 -9.406 15.446 -8.069 1.00 0.00 O ATOM 1442 CB TYR A 125 -6.494 15.315 -7.007 1.00 0.00 C ATOM 1443 CG TYR A 125 -5.178 15.931 -6.593 1.00 0.00 C ATOM 1444 CD1 TYR A 125 -5.154 16.978 -5.665 1.00 0.00 C ATOM 1445 CD2 TYR A 125 -3.982 15.451 -7.139 1.00 0.00 C ATOM 1446 CE1 TYR A 125 -3.933 17.546 -5.284 1.00 0.00 C ATOM 1447 CE2 TYR A 125 -2.761 16.020 -6.758 1.00 0.00 C ATOM 1448 CZ TYR A 125 -2.736 17.067 -5.830 1.00 0.00 C ATOM 1449 OH TYR A 125 -1.533 17.627 -5.453 1.00 0.00 O ATOM 0 H TYR A 125 -6.837 18.186 -8.295 1.00 0.00 H new ATOM 0 HA TYR A 125 -6.365 16.163 -8.992 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -7.188 15.316 -6.167 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -6.345 14.275 -7.296 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -6.077 17.347 -5.243 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.001 14.642 -7.854 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -3.914 18.355 -4.568 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -1.838 15.651 -7.180 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.801 17.177 -5.925 1.00 0.00 H new ATOM 1459 N THR A 126 -8.156 14.639 -9.753 1.00 0.00 N ATOM 1460 CA THR A 126 -9.236 13.845 -10.326 1.00 0.00 C ATOM 1461 C THR A 126 -8.635 12.716 -11.137 1.00 0.00 C ATOM 1462 O THR A 126 -7.432 12.696 -11.402 1.00 0.00 O ATOM 1463 CB THR A 126 -10.161 14.671 -11.225 1.00 0.00 C ATOM 1464 OG1 THR A 126 -11.145 13.817 -11.790 1.00 0.00 O ATOM 1465 CG2 THR A 126 -9.361 15.331 -12.348 1.00 0.00 C ATOM 0 H THR A 126 -7.272 14.573 -10.257 1.00 0.00 H new ATOM 0 HA THR A 126 -9.839 13.463 -9.502 1.00 0.00 H new ATOM 0 HB THR A 126 -10.637 15.448 -10.627 1.00 0.00 H new ATOM 0 HG1 THR A 126 -11.741 14.341 -12.365 1.00 0.00 H new ATOM 0 HG21 THR A 126 -10.032 15.914 -12.978 1.00 0.00 H new ATOM 0 HG22 THR A 126 -8.604 15.988 -11.918 1.00 0.00 H new ATOM 0 HG23 THR A 126 -8.875 14.562 -12.949 1.00 0.00 H new ATOM 1473 N TRP A 127 -9.472 11.767 -11.512 1.00 0.00 N ATOM 1474 CA TRP A 127 -8.988 10.615 -12.278 1.00 0.00 C ATOM 1475 C TRP A 127 -9.863 10.356 -13.502 1.00 0.00 C ATOM 1476 O TRP A 127 -11.092 10.356 -13.419 1.00 0.00 O ATOM 1477 CB TRP A 127 -8.967 9.317 -11.431 1.00 0.00 C ATOM 1478 CG TRP A 127 -8.827 9.606 -9.962 1.00 0.00 C ATOM 1479 CD1 TRP A 127 -7.915 10.439 -9.416 1.00 0.00 C ATOM 1480 CD2 TRP A 127 -9.606 9.070 -8.853 1.00 0.00 C ATOM 1481 NE1 TRP A 127 -8.089 10.459 -8.044 1.00 0.00 N ATOM 1482 CE2 TRP A 127 -9.118 9.627 -7.648 1.00 0.00 C ATOM 1483 CE3 TRP A 127 -10.680 8.165 -8.778 1.00 0.00 C ATOM 1484 CZ2 TRP A 127 -9.674 9.298 -6.411 1.00 0.00 C ATOM 1485 CZ3 TRP A 127 -11.242 7.831 -7.535 1.00 0.00 C ATOM 1486 CH2 TRP A 127 -10.741 8.397 -6.354 1.00 0.00 C ATOM 0 H TRP A 127 -10.471 11.761 -11.308 1.00 0.00 H new ATOM 0 HA TRP A 127 -7.972 10.867 -12.583 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -9.885 8.756 -11.604 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -8.141 8.685 -11.757 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -7.170 10.999 -9.962 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -7.527 11.019 -7.403 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -11.075 7.724 -9.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -9.283 9.736 -5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -12.065 7.134 -7.488 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -11.179 8.137 -5.402 1.00 0.00 H new ATOM 1497 N ALA A 128 -9.209 10.092 -14.631 1.00 0.00 N ATOM 1498 CA ALA A 128 -9.928 9.781 -15.864 1.00 0.00 C ATOM 1499 C ALA A 128 -9.810 8.284 -16.129 1.00 0.00 C ATOM 1500 O ALA A 128 -8.769 7.792 -16.565 1.00 0.00 O ATOM 1501 CB ALA A 128 -9.356 10.556 -17.051 1.00 0.00 C ATOM 0 H ALA A 128 -8.193 10.087 -14.718 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.972 10.071 -15.746 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -9.913 10.303 -17.953 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.440 11.626 -16.861 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.307 10.293 -17.186 1.00 0.00 H new ATOM 1507 N CYS A 129 -10.878 7.566 -15.815 1.00 0.00 N ATOM 1508 CA CYS A 129 -10.894 6.113 -15.968 1.00 0.00 C ATOM 1509 C CYS A 129 -11.135 5.695 -17.423 1.00 0.00 C ATOM 1510 O CYS A 129 -12.043 6.177 -18.097 1.00 0.00 O ATOM 1511 CB CYS A 129 -11.985 5.534 -15.046 1.00 0.00 C ATOM 1512 SG CYS A 129 -12.312 3.773 -15.377 1.00 0.00 S ATOM 0 H CYS A 129 -11.745 7.962 -15.453 1.00 0.00 H new ATOM 0 HA CYS A 129 -9.918 5.718 -15.687 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -11.680 5.655 -14.007 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -12.906 6.102 -15.176 1.00 0.00 H new ATOM 1517 N THR A 130 -10.306 4.754 -17.862 1.00 0.00 N ATOM 1518 CA THR A 130 -10.392 4.186 -19.204 1.00 0.00 C ATOM 1519 C THR A 130 -9.626 2.870 -19.200 1.00 0.00 C ATOM 1520 O THR A 130 -8.526 2.759 -19.742 1.00 0.00 O ATOM 1521 CB THR A 130 -9.795 5.132 -20.247 1.00 0.00 C ATOM 1522 OG1 THR A 130 -9.728 4.469 -21.501 1.00 0.00 O ATOM 1523 CG2 THR A 130 -8.393 5.560 -19.817 1.00 0.00 C ATOM 0 H THR A 130 -9.553 4.362 -17.296 1.00 0.00 H new ATOM 0 HA THR A 130 -11.438 4.029 -19.468 1.00 0.00 H new ATOM 0 HB THR A 130 -10.426 6.016 -20.335 1.00 0.00 H new ATOM 0 HG1 THR A 130 -9.347 5.074 -22.171 1.00 0.00 H new ATOM 0 HG21 THR A 130 -7.973 6.234 -20.564 1.00 0.00 H new ATOM 0 HG22 THR A 130 -8.448 6.072 -18.856 1.00 0.00 H new ATOM 0 HG23 THR A 130 -7.757 4.680 -19.723 1.00 0.00 H new ATOM 1531 N SER A 131 -10.202 1.889 -18.517 1.00 0.00 N ATOM 1532 CA SER A 131 -9.549 0.593 -18.370 1.00 0.00 C ATOM 1533 C SER A 131 -10.119 -0.472 -19.293 1.00 0.00 C ATOM 1534 O SER A 131 -11.273 -0.415 -19.718 1.00 0.00 O ATOM 1535 CB SER A 131 -9.684 0.101 -16.930 1.00 0.00 C ATOM 1536 OG SER A 131 -9.162 -1.218 -16.832 1.00 0.00 O ATOM 0 H SER A 131 -11.111 1.963 -18.060 1.00 0.00 H new ATOM 0 HA SER A 131 -8.504 0.747 -18.639 1.00 0.00 H new ATOM 0 HB2 SER A 131 -9.148 0.767 -16.254 1.00 0.00 H new ATOM 0 HB3 SER A 131 -10.731 0.113 -16.626 1.00 0.00 H new ATOM 0 HG SER A 131 -9.806 -1.791 -16.365 1.00 0.00 H new ATOM 1542 N ASN A 132 -9.277 -1.467 -19.560 1.00 0.00 N ATOM 1543 CA ASN A 132 -9.648 -2.598 -20.394 1.00 0.00 C ATOM 1544 C ASN A 132 -9.451 -3.874 -19.577 1.00 0.00 C ATOM 1545 O ASN A 132 -8.649 -4.747 -19.925 1.00 0.00 O ATOM 1546 CB ASN A 132 -8.782 -2.635 -21.667 1.00 0.00 C ATOM 1547 CG ASN A 132 -9.076 -3.891 -22.492 1.00 0.00 C ATOM 1548 OD1 ASN A 132 -10.276 -4.403 -22.491 1.00 0.00 O flip ATOM 1549 ND2 ASN A 132 -8.186 -4.421 -23.159 1.00 0.00 N flip ATOM 0 H ASN A 132 -8.322 -1.509 -19.204 1.00 0.00 H new ATOM 0 HA ASN A 132 -10.689 -2.509 -20.704 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -8.975 -1.747 -22.269 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -7.727 -2.613 -21.395 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -7.246 -4.024 -23.163 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -8.389 -5.257 -23.708 1.00 0.00 H new ATOM 1556 N ALA A 133 -10.181 -3.951 -18.467 1.00 0.00 N ATOM 1557 CA ALA A 133 -10.087 -5.102 -17.574 1.00 0.00 C ATOM 1558 C ALA A 133 -11.451 -5.417 -16.960 1.00 0.00 C ATOM 1559 O ALA A 133 -11.684 -5.196 -15.770 1.00 0.00 O ATOM 1560 CB ALA A 133 -9.083 -4.821 -16.452 1.00 0.00 C ATOM 0 H ALA A 133 -10.841 -3.234 -18.166 1.00 0.00 H new ATOM 0 HA ALA A 133 -9.750 -5.958 -18.158 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -9.022 -5.687 -15.793 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -8.102 -4.623 -16.883 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -9.410 -3.952 -15.880 1.00 0.00 H new ATOM 1566 N ASP A 134 -12.353 -5.941 -17.788 1.00 0.00 N ATOM 1567 CA ASP A 134 -13.696 -6.288 -17.321 1.00 0.00 C ATOM 1568 C ASP A 134 -14.395 -5.060 -16.732 1.00 0.00 C ATOM 1569 O ASP A 134 -14.773 -5.038 -15.559 1.00 0.00 O ATOM 1570 CB ASP A 134 -13.621 -7.391 -16.260 1.00 0.00 C ATOM 1571 CG ASP A 134 -13.580 -8.753 -16.942 1.00 0.00 C ATOM 1572 OD1 ASP A 134 -14.597 -9.151 -17.486 1.00 0.00 O ATOM 1573 OD2 ASP A 134 -12.533 -9.380 -16.910 1.00 0.00 O ATOM 0 H ASP A 134 -12.182 -6.133 -18.775 1.00 0.00 H new ATOM 0 HA ASP A 134 -14.270 -6.648 -18.175 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -12.733 -7.255 -15.642 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -14.484 -7.331 -15.597 1.00 0.00 H new ATOM 1704 N CYS A 142 -15.564 5.023 -18.199 1.00 0.00 N ATOM 1705 CA CYS A 142 -14.500 4.070 -18.516 1.00 0.00 C ATOM 1706 C CYS A 142 -14.775 3.412 -19.865 1.00 0.00 C ATOM 1707 O CYS A 142 -15.706 2.618 -20.004 1.00 0.00 O ATOM 1708 CB CYS A 142 -14.397 2.977 -17.443 1.00 0.00 C ATOM 1709 SG CYS A 142 -14.290 3.726 -15.796 1.00 0.00 S ATOM 0 HA CYS A 142 -13.560 4.620 -18.551 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -15.266 2.321 -17.497 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -13.519 2.358 -17.627 1.00 0.00 H new ATOM 1714 N GLN A 143 -13.960 3.754 -20.860 1.00 0.00 N ATOM 1715 CA GLN A 143 -14.134 3.192 -22.196 1.00 0.00 C ATOM 1716 C GLN A 143 -13.328 1.900 -22.348 1.00 0.00 C ATOM 1717 O GLN A 143 -13.876 0.802 -22.247 1.00 0.00 O ATOM 1718 CB GLN A 143 -13.695 4.200 -23.264 1.00 0.00 C ATOM 1719 CG GLN A 143 -14.723 5.329 -23.352 1.00 0.00 C ATOM 1720 CD GLN A 143 -14.053 6.586 -23.897 1.00 0.00 C ATOM 1721 OE1 GLN A 143 -12.991 6.989 -23.420 1.00 0.00 O ATOM 1722 NE2 GLN A 143 -14.615 7.236 -24.879 1.00 0.00 N ATOM 0 H GLN A 143 -13.183 4.408 -20.769 1.00 0.00 H new ATOM 0 HA GLN A 143 -15.192 2.967 -22.331 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -12.714 4.605 -23.016 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.600 3.704 -24.230 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -15.548 5.034 -24.000 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -15.146 5.527 -22.367 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.494 6.903 -25.274 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -14.175 8.077 -25.251 1.00 0.00 H new ATOM 1731 N THR A 144 -12.023 2.037 -22.592 1.00 0.00 N ATOM 1732 CA THR A 144 -11.159 0.868 -22.756 1.00 0.00 C ATOM 1733 C THR A 144 -9.728 1.300 -23.060 1.00 0.00 C ATOM 1734 O THR A 144 -9.483 2.102 -23.962 1.00 0.00 O ATOM 1735 CB THR A 144 -11.661 -0.021 -23.900 1.00 0.00 C ATOM 1736 OG1 THR A 144 -10.743 -1.085 -24.112 1.00 0.00 O ATOM 1737 CG2 THR A 144 -11.794 0.809 -25.178 1.00 0.00 C ATOM 0 H THR A 144 -11.546 2.935 -22.679 1.00 0.00 H new ATOM 0 HA THR A 144 -11.182 0.305 -21.823 1.00 0.00 H new ATOM 0 HB THR A 144 -12.636 -0.432 -23.638 1.00 0.00 H new ATOM 0 HG1 THR A 144 -11.065 -1.654 -24.842 1.00 0.00 H new ATOM 0 HG21 THR A 144 -12.151 0.174 -25.989 1.00 0.00 H new ATOM 0 HG22 THR A 144 -12.503 1.620 -25.013 1.00 0.00 H new ATOM 0 HG23 THR A 144 -10.822 1.225 -25.444 1.00 0.00 H new ATOM 1745 N ALA A 145 -8.783 0.754 -22.299 1.00 0.00 N ATOM 1746 CA ALA A 145 -7.374 1.084 -22.495 1.00 0.00 C ATOM 1747 C ALA A 145 -6.684 -0.006 -23.311 1.00 0.00 C ATOM 1748 O ALA A 145 -6.679 -1.176 -22.931 1.00 0.00 O ATOM 1749 CB ALA A 145 -6.662 1.229 -21.148 1.00 0.00 C ATOM 0 H ALA A 145 -8.964 0.088 -21.548 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.321 2.031 -23.032 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -5.613 1.475 -21.315 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.134 2.024 -20.571 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -6.731 0.291 -20.597 1.00 0.00 H new