USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=31 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 64 THR OG1 : rot -55:sc= 1.64 USER MOD Set 1.2: A 71 THR OG1 : rot -128:sc= 0.99 USER MOD Set 2.1: A 60 ASN : amide:sc= -3.06 K(o=-5.7,f=-8.4!) USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= -2.66! USER MOD Single : A 32 GLN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -103:sc=-0.00434 (180deg=-0.0911) USER MOD Single : A 38 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0782 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 -60:sc= 0.134 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -5.67! C(o=-5.7!,f=-8!) USER MOD Single : A 56 SER OG : rot 70:sc= 0.579 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.899 K(o=0.9,f=-0.00023) 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 180:sc= -0.306 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0558 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 99 MET CE :methyl -170:sc= 0 (180deg=-0.123) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.206 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.833 USER MOD Single : A 111 LYS NZ :NH3+ 159:sc= -0.514 (180deg=-0.727) USER MOD Single : A 112 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -4.92! C(o=-4.9!,f=-15!) 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 91:sc= 0.924 USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.094 USER MOD Single : A 131 SER OG : rot 132:sc= -2.9! USER MOD Single : A 132 ASN : amide:sc= -2.48! C(o=-2.5!,f=-6.5!) USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 137 N ALA A 31 -12.492 -14.557 -4.440 1.00 0.00 N ATOM 138 CA ALA A 31 -11.896 -13.477 -3.654 1.00 0.00 C ATOM 139 C ALA A 31 -11.343 -12.372 -4.558 1.00 0.00 C ATOM 140 O ALA A 31 -11.113 -11.250 -4.107 1.00 0.00 O ATOM 141 CB ALA A 31 -10.761 -14.018 -2.782 1.00 0.00 C ATOM 0 HA ALA A 31 -12.681 -13.059 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.327 -13.203 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.153 -14.776 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.994 -14.461 -3.417 1.00 0.00 H new ATOM 147 N GLN A 32 -11.124 -12.694 -5.837 1.00 0.00 N ATOM 148 CA GLN A 32 -10.590 -11.713 -6.786 1.00 0.00 C ATOM 149 C GLN A 32 -11.437 -10.437 -6.797 1.00 0.00 C ATOM 150 O GLN A 32 -10.936 -9.348 -7.078 1.00 0.00 O ATOM 151 CB GLN A 32 -10.560 -12.300 -8.199 1.00 0.00 C ATOM 152 CG GLN A 32 -9.773 -11.369 -9.123 1.00 0.00 C ATOM 153 CD GLN A 32 -10.254 -11.549 -10.559 1.00 0.00 C ATOM 154 OE1 GLN A 32 -10.441 -10.573 -11.285 1.00 0.00 O ATOM 155 NE2 GLN A 32 -10.468 -12.752 -11.015 1.00 0.00 N ATOM 0 H GLN A 32 -11.306 -13.615 -6.235 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.578 -11.465 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.100 -13.288 -8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.576 -12.427 -8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.906 -10.333 -8.811 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.707 -11.588 -9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.313 -13.561 -10.413 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.790 -12.884 -11.974 1.00 0.00 H new ATOM 164 N LEU A 33 -12.722 -10.584 -6.488 1.00 0.00 N ATOM 165 CA LEU A 33 -13.625 -9.436 -6.466 1.00 0.00 C ATOM 166 C LEU A 33 -13.179 -8.427 -5.411 1.00 0.00 C ATOM 167 O LEU A 33 -13.025 -7.237 -5.693 1.00 0.00 O ATOM 168 CB LEU A 33 -15.054 -9.883 -6.154 1.00 0.00 C ATOM 169 CG LEU A 33 -16.151 -8.923 -6.619 1.00 0.00 C ATOM 170 CD1 LEU A 33 -16.388 -9.105 -8.119 1.00 0.00 C ATOM 171 CD2 LEU A 33 -17.444 -9.222 -5.860 1.00 0.00 C ATOM 0 H LEU A 33 -13.158 -11.475 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.598 -8.969 -7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.223 -10.855 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.147 -10.022 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.842 -7.896 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.170 -8.421 -8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -15.467 -8.893 -8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.697 -10.131 -8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.226 -8.539 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -17.752 -10.249 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.277 -9.092 -4.791 1.00 0.00 H new ATOM 183 N SER A 34 -12.972 -8.916 -4.191 1.00 0.00 N ATOM 184 CA SER A 34 -12.543 -8.052 -3.093 1.00 0.00 C ATOM 185 C SER A 34 -11.195 -7.415 -3.413 1.00 0.00 C ATOM 186 O SER A 34 -10.968 -6.235 -3.142 1.00 0.00 O ATOM 187 CB SER A 34 -12.421 -8.852 -1.797 1.00 0.00 C ATOM 188 OG SER A 34 -13.633 -9.557 -1.564 1.00 0.00 O ATOM 0 H SER A 34 -13.093 -9.897 -3.938 1.00 0.00 H new ATOM 0 HA SER A 34 -13.293 -7.272 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.588 -9.551 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.209 -8.184 -0.962 1.00 0.00 H new ATOM 0 HG SER A 34 -13.557 -10.073 -0.734 1.00 0.00 H new ATOM 194 N GLU A 35 -10.302 -8.209 -3.996 1.00 0.00 N ATOM 195 CA GLU A 35 -8.976 -7.716 -4.354 1.00 0.00 C ATOM 196 C GLU A 35 -9.086 -6.598 -5.388 1.00 0.00 C ATOM 197 O GLU A 35 -8.261 -5.684 -5.425 1.00 0.00 O ATOM 198 CB GLU A 35 -8.122 -8.846 -4.931 1.00 0.00 C ATOM 199 CG GLU A 35 -6.640 -8.521 -4.730 1.00 0.00 C ATOM 200 CD GLU A 35 -5.798 -9.389 -5.660 1.00 0.00 C ATOM 201 OE1 GLU A 35 -6.053 -10.581 -5.717 1.00 0.00 O ATOM 202 OE2 GLU A 35 -4.911 -8.849 -6.300 1.00 0.00 O ATOM 0 H GLU A 35 -10.470 -9.188 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.504 -7.331 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.368 -9.788 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.337 -8.973 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.457 -7.466 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.355 -8.698 -3.693 1.00 0.00 H new ATOM 209 N ALA A 36 -10.116 -6.682 -6.227 1.00 0.00 N ATOM 210 CA ALA A 36 -10.329 -5.673 -7.262 1.00 0.00 C ATOM 211 C ALA A 36 -10.552 -4.299 -6.636 1.00 0.00 C ATOM 212 O ALA A 36 -9.830 -3.346 -6.925 1.00 0.00 O ATOM 213 CB ALA A 36 -11.545 -6.034 -8.116 1.00 0.00 C ATOM 0 H ALA A 36 -10.810 -7.430 -6.212 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.438 -5.643 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.690 -5.273 -8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.381 -7.001 -8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.431 -6.086 -7.484 1.00 0.00 H new ATOM 219 N MET A 37 -11.565 -4.208 -5.775 1.00 0.00 N ATOM 220 CA MET A 37 -11.878 -2.941 -5.115 1.00 0.00 C ATOM 221 C MET A 37 -10.689 -2.456 -4.289 1.00 0.00 C ATOM 222 O MET A 37 -10.464 -1.254 -4.144 1.00 0.00 O ATOM 223 CB MET A 37 -13.095 -3.096 -4.198 1.00 0.00 C ATOM 224 CG MET A 37 -12.859 -4.243 -3.212 1.00 0.00 C ATOM 225 SD MET A 37 -14.183 -4.258 -1.978 1.00 0.00 S ATOM 226 CE MET A 37 -13.479 -3.006 -0.876 1.00 0.00 C ATOM 0 H MET A 37 -12.175 -4.985 -5.521 1.00 0.00 H new ATOM 0 HA MET A 37 -12.101 -2.209 -5.891 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.273 -2.168 -3.655 1.00 0.00 H new ATOM 0 HB3 MET A 37 -13.987 -3.293 -4.793 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.832 -5.194 -3.744 1.00 0.00 H new ATOM 0 HG3 MET A 37 -11.892 -4.123 -2.723 1.00 0.00 H new ATOM 0 HE1 MET A 37 -13.038 -3.493 -0.006 1.00 0.00 H new ATOM 0 HE2 MET A 37 -12.709 -2.445 -1.407 1.00 0.00 H new ATOM 0 HE3 MET A 37 -14.265 -2.324 -0.551 1.00 0.00 H new ATOM 236 N THR A 38 -9.927 -3.406 -3.753 1.00 0.00 N ATOM 237 CA THR A 38 -8.760 -3.066 -2.947 1.00 0.00 C ATOM 238 C THR A 38 -7.722 -2.345 -3.800 1.00 0.00 C ATOM 239 O THR A 38 -7.070 -1.403 -3.348 1.00 0.00 O ATOM 240 CB THR A 38 -8.129 -4.328 -2.354 1.00 0.00 C ATOM 241 OG1 THR A 38 -9.134 -5.102 -1.715 1.00 0.00 O ATOM 242 CG2 THR A 38 -7.058 -3.936 -1.336 1.00 0.00 C ATOM 0 H THR A 38 -10.095 -4.406 -3.861 1.00 0.00 H new ATOM 0 HA THR A 38 -9.087 -2.413 -2.138 1.00 0.00 H new ATOM 0 HB THR A 38 -7.671 -4.914 -3.150 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.568 -5.683 -2.374 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.610 -4.836 -0.915 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.287 -3.343 -1.829 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.512 -3.349 -0.538 1.00 0.00 H new ATOM 250 N LEU A 39 -7.581 -2.797 -5.043 1.00 0.00 N ATOM 251 CA LEU A 39 -6.623 -2.188 -5.962 1.00 0.00 C ATOM 252 C LEU A 39 -7.105 -0.809 -6.402 1.00 0.00 C ATOM 253 O LEU A 39 -6.305 0.079 -6.695 1.00 0.00 O ATOM 254 CB LEU A 39 -6.435 -3.067 -7.199 1.00 0.00 C ATOM 255 CG LEU A 39 -5.053 -2.983 -7.851 1.00 0.00 C ATOM 256 CD1 LEU A 39 -3.979 -3.343 -6.823 1.00 0.00 C ATOM 257 CD2 LEU A 39 -4.984 -3.964 -9.023 1.00 0.00 C ATOM 0 H LEU A 39 -8.112 -3.575 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.672 -2.090 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.626 -4.104 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.186 -2.791 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.883 -1.969 -8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.995 -3.283 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.028 -2.646 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.148 -4.357 -6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.000 -3.906 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.154 -4.978 -8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.749 -3.709 -9.757 1.00 0.00 H new ATOM 269 N ALA A 40 -8.427 -0.638 -6.447 1.00 0.00 N ATOM 270 CA ALA A 40 -9.011 0.639 -6.855 1.00 0.00 C ATOM 271 C ALA A 40 -8.530 1.767 -5.945 1.00 0.00 C ATOM 272 O ALA A 40 -8.036 2.793 -6.414 1.00 0.00 O ATOM 273 CB ALA A 40 -10.538 0.570 -6.795 1.00 0.00 C ATOM 0 H ALA A 40 -9.107 -1.360 -6.209 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.693 0.840 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.958 1.528 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.893 -0.213 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.852 0.346 -5.776 1.00 0.00 H new ATOM 279 N SER A 41 -8.676 1.564 -4.640 1.00 0.00 N ATOM 280 CA SER A 41 -8.250 2.569 -3.670 1.00 0.00 C ATOM 281 C SER A 41 -6.744 2.795 -3.769 1.00 0.00 C ATOM 282 O SER A 41 -6.263 3.927 -3.704 1.00 0.00 O ATOM 283 CB SER A 41 -8.594 2.120 -2.249 1.00 0.00 C ATOM 284 OG SER A 41 -9.723 1.255 -2.290 1.00 0.00 O ATOM 0 H SER A 41 -9.082 0.722 -4.231 1.00 0.00 H new ATOM 0 HA SER A 41 -8.774 3.498 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.743 1.606 -1.802 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.808 2.986 -1.623 1.00 0.00 H new ATOM 0 HG SER A 41 -9.945 0.964 -1.381 1.00 0.00 H new ATOM 290 N GLY A 42 -6.005 1.700 -3.926 1.00 0.00 N ATOM 291 CA GLY A 42 -4.551 1.780 -4.035 1.00 0.00 C ATOM 292 C GLY A 42 -4.129 2.525 -5.303 1.00 0.00 C ATOM 293 O GLY A 42 -3.030 3.073 -5.377 1.00 0.00 O ATOM 0 H GLY A 42 -6.384 0.755 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.146 2.288 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.129 0.775 -4.044 1.00 0.00 H new ATOM 297 N LEU A 43 -5.009 2.531 -6.305 1.00 0.00 N ATOM 298 CA LEU A 43 -4.706 3.200 -7.567 1.00 0.00 C ATOM 299 C LEU A 43 -4.740 4.722 -7.407 1.00 0.00 C ATOM 300 O LEU A 43 -3.808 5.419 -7.804 1.00 0.00 O ATOM 301 CB LEU A 43 -5.709 2.774 -8.647 1.00 0.00 C ATOM 302 CG LEU A 43 -5.178 1.750 -9.653 1.00 0.00 C ATOM 303 CD1 LEU A 43 -4.737 0.485 -8.913 1.00 0.00 C ATOM 304 CD2 LEU A 43 -6.284 1.395 -10.649 1.00 0.00 C ATOM 0 H LEU A 43 -5.926 2.086 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.701 2.906 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.591 2.359 -8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.034 3.661 -9.191 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.327 2.174 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.359 -0.243 -9.631 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.950 0.735 -8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.587 0.061 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.907 0.666 -11.366 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.134 0.972 -10.113 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.600 2.294 -11.178 1.00 0.00 H new ATOM 316 N LYS A 44 -5.830 5.233 -6.837 1.00 0.00 N ATOM 317 CA LYS A 44 -5.973 6.680 -6.651 1.00 0.00 C ATOM 318 C LYS A 44 -4.829 7.250 -5.812 1.00 0.00 C ATOM 319 O LYS A 44 -4.347 8.355 -6.067 1.00 0.00 O ATOM 320 CB LYS A 44 -7.306 7.017 -5.973 1.00 0.00 C ATOM 321 CG LYS A 44 -7.489 6.164 -4.714 1.00 0.00 C ATOM 322 CD LYS A 44 -8.701 6.669 -3.929 1.00 0.00 C ATOM 323 CE LYS A 44 -8.987 5.725 -2.758 1.00 0.00 C ATOM 324 NZ LYS A 44 -9.407 6.520 -1.570 1.00 0.00 N ATOM 0 H LYS A 44 -6.617 4.679 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.946 7.132 -7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.332 8.075 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.129 6.839 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.629 5.118 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.594 6.214 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.512 7.677 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.571 6.727 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.770 5.017 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.097 5.141 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.601 5.879 -0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.646 7.178 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.267 7.058 -1.799 1.00 0.00 H new ATOM 338 N THR A 45 -4.396 6.489 -4.813 1.00 0.00 N ATOM 339 CA THR A 45 -3.307 6.942 -3.950 1.00 0.00 C ATOM 340 C THR A 45 -1.973 6.888 -4.693 1.00 0.00 C ATOM 341 O THR A 45 -1.050 7.645 -4.392 1.00 0.00 O ATOM 342 CB THR A 45 -3.215 6.073 -2.692 1.00 0.00 C ATOM 343 OG1 THR A 45 -2.096 6.483 -1.919 1.00 0.00 O ATOM 344 CG2 THR A 45 -3.053 4.606 -3.089 1.00 0.00 C ATOM 0 H THR A 45 -4.774 5.570 -4.581 1.00 0.00 H new ATOM 0 HA THR A 45 -3.519 7.972 -3.662 1.00 0.00 H new ATOM 0 HB THR A 45 -4.126 6.187 -2.105 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.035 5.930 -1.112 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.988 3.991 -2.191 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.912 4.293 -3.682 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.143 4.487 -3.677 1.00 0.00 H new ATOM 352 N LYS A 46 -1.879 5.981 -5.663 1.00 0.00 N ATOM 353 CA LYS A 46 -0.649 5.835 -6.436 1.00 0.00 C ATOM 354 C LYS A 46 -0.601 6.844 -7.581 1.00 0.00 C ATOM 355 O LYS A 46 0.392 7.547 -7.761 1.00 0.00 O ATOM 356 CB LYS A 46 -0.547 4.423 -7.013 1.00 0.00 C ATOM 357 CG LYS A 46 -0.149 3.445 -5.903 1.00 0.00 C ATOM 358 CD LYS A 46 1.279 3.753 -5.426 1.00 0.00 C ATOM 359 CE LYS A 46 1.285 3.982 -3.912 1.00 0.00 C ATOM 360 NZ LYS A 46 2.412 4.887 -3.551 1.00 0.00 N ATOM 0 H LYS A 46 -2.630 5.344 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 46 0.189 6.018 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.501 4.127 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.191 4.399 -7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.846 3.524 -5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.207 2.420 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.943 2.927 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.660 4.637 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.338 4.419 -3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.387 3.031 -3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.416 5.043 -2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.312 4.453 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.295 5.798 -4.039 1.00 0.00 H new ATOM 374 N VAL A 47 -1.684 6.901 -8.360 1.00 0.00 N ATOM 375 CA VAL A 47 -1.762 7.821 -9.502 1.00 0.00 C ATOM 376 C VAL A 47 -1.376 9.248 -9.095 1.00 0.00 C ATOM 377 O VAL A 47 -0.649 9.940 -9.813 1.00 0.00 O ATOM 378 CB VAL A 47 -3.177 7.806 -10.105 1.00 0.00 C ATOM 379 CG1 VAL A 47 -4.194 8.303 -9.075 1.00 0.00 C ATOM 380 CG2 VAL A 47 -3.225 8.703 -11.348 1.00 0.00 C ATOM 0 H VAL A 47 -2.515 6.326 -8.224 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.051 7.481 -10.255 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.426 6.783 -10.388 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.192 8.288 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.172 7.654 -8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.943 9.321 -8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.230 8.687 -11.769 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.964 9.724 -11.070 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.515 8.336 -12.089 1.00 0.00 H new ATOM 390 N SER A 48 -1.859 9.677 -7.930 1.00 0.00 N ATOM 391 CA SER A 48 -1.545 11.017 -7.438 1.00 0.00 C ATOM 392 C SER A 48 -0.034 11.186 -7.301 1.00 0.00 C ATOM 393 O SER A 48 0.513 12.265 -7.530 1.00 0.00 O ATOM 394 CB SER A 48 -2.199 11.256 -6.077 1.00 0.00 C ATOM 395 OG SER A 48 -1.623 10.377 -5.118 1.00 0.00 O ATOM 0 H SER A 48 -2.460 9.126 -7.317 1.00 0.00 H new ATOM 0 HA SER A 48 -1.932 11.741 -8.155 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.057 12.292 -5.769 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.274 11.087 -6.142 1.00 0.00 H new ATOM 0 HG SER A 48 -1.768 9.449 -5.396 1.00 0.00 H new ATOM 401 N ASP A 49 0.631 10.096 -6.928 1.00 0.00 N ATOM 402 CA ASP A 49 2.081 10.110 -6.765 1.00 0.00 C ATOM 403 C ASP A 49 2.784 10.089 -8.123 1.00 0.00 C ATOM 404 O ASP A 49 3.901 10.585 -8.261 1.00 0.00 O ATOM 405 CB ASP A 49 2.540 8.900 -5.949 1.00 0.00 C ATOM 406 CG ASP A 49 2.044 9.038 -4.514 1.00 0.00 C ATOM 407 OD1 ASP A 49 0.870 9.317 -4.338 1.00 0.00 O ATOM 408 OD2 ASP A 49 2.846 8.861 -3.612 1.00 0.00 O ATOM 0 H ASP A 49 0.191 9.196 -6.734 1.00 0.00 H new ATOM 0 HA ASP A 49 2.345 11.028 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.154 7.982 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.628 8.829 -5.964 1.00 0.00 H new ATOM 413 N ILE A 50 2.125 9.498 -9.122 1.00 0.00 N ATOM 414 CA ILE A 50 2.713 9.413 -10.460 1.00 0.00 C ATOM 415 C ILE A 50 2.979 10.812 -11.022 1.00 0.00 C ATOM 416 O ILE A 50 4.023 11.061 -11.624 1.00 0.00 O ATOM 417 CB ILE A 50 1.795 8.620 -11.401 1.00 0.00 C ATOM 418 CG1 ILE A 50 1.597 7.216 -10.814 1.00 0.00 C ATOM 419 CG2 ILE A 50 2.442 8.510 -12.792 1.00 0.00 C ATOM 420 CD1 ILE A 50 0.638 6.407 -11.689 1.00 0.00 C ATOM 0 H ILE A 50 1.200 9.078 -9.033 1.00 0.00 H new ATOM 0 HA ILE A 50 3.665 8.888 -10.384 1.00 0.00 H new ATOM 0 HB ILE A 50 0.835 9.127 -11.499 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.557 6.704 -10.745 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.202 7.290 -9.801 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.786 7.946 -13.455 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.599 9.508 -13.200 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.400 7.997 -12.708 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.506 5.413 -11.262 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.326 6.913 -11.736 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.050 6.318 -12.694 1.00 0.00 H new ATOM 432 N PHE A 51 2.037 11.725 -10.806 1.00 0.00 N ATOM 433 CA PHE A 51 2.208 13.100 -11.283 1.00 0.00 C ATOM 434 C PHE A 51 2.942 13.929 -10.218 1.00 0.00 C ATOM 435 O PHE A 51 3.602 14.917 -10.535 1.00 0.00 O ATOM 436 CB PHE A 51 0.832 13.733 -11.611 1.00 0.00 C ATOM 437 CG PHE A 51 0.929 15.249 -11.745 1.00 0.00 C ATOM 438 CD1 PHE A 51 1.461 15.835 -12.904 1.00 0.00 C ATOM 439 CD2 PHE A 51 0.486 16.063 -10.695 1.00 0.00 C ATOM 440 CE1 PHE A 51 1.546 17.229 -13.008 1.00 0.00 C ATOM 441 CE2 PHE A 51 0.573 17.455 -10.800 1.00 0.00 C ATOM 442 CZ PHE A 51 1.103 18.038 -11.957 1.00 0.00 C ATOM 0 H PHE A 51 1.162 11.547 -10.314 1.00 0.00 H new ATOM 0 HA PHE A 51 2.804 13.089 -12.196 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.448 13.309 -12.539 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.119 13.481 -10.826 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.805 15.211 -13.716 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.076 15.615 -9.802 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.954 17.680 -13.901 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.231 18.080 -9.988 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.170 19.113 -12.038 1.00 0.00 H new ATOM 452 N SER A 52 2.802 13.530 -8.956 1.00 0.00 N ATOM 453 CA SER A 52 3.438 14.260 -7.865 1.00 0.00 C ATOM 454 C SER A 52 4.942 13.981 -7.800 1.00 0.00 C ATOM 455 O SER A 52 5.734 14.873 -7.494 1.00 0.00 O ATOM 456 CB SER A 52 2.807 13.874 -6.527 1.00 0.00 C ATOM 457 OG SER A 52 3.242 14.782 -5.524 1.00 0.00 O ATOM 0 H SER A 52 2.261 12.715 -8.667 1.00 0.00 H new ATOM 0 HA SER A 52 3.286 15.322 -8.058 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.720 13.894 -6.605 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.089 12.856 -6.259 1.00 0.00 H new ATOM 0 HG SER A 52 2.838 14.539 -4.665 1.00 0.00 H new ATOM 463 N GLN A 53 5.330 12.732 -8.065 1.00 0.00 N ATOM 464 CA GLN A 53 6.748 12.354 -8.003 1.00 0.00 C ATOM 465 C GLN A 53 7.623 13.271 -8.869 1.00 0.00 C ATOM 466 O GLN A 53 8.575 13.874 -8.376 1.00 0.00 O ATOM 467 CB GLN A 53 6.960 10.887 -8.422 1.00 0.00 C ATOM 468 CG GLN A 53 6.311 10.604 -9.782 1.00 0.00 C ATOM 469 CD GLN A 53 6.061 9.104 -9.930 1.00 0.00 C ATOM 470 OE1 GLN A 53 6.029 8.371 -8.943 1.00 0.00 O ATOM 471 NE2 GLN A 53 5.876 8.599 -11.123 1.00 0.00 N ATOM 0 H GLN A 53 4.696 11.975 -8.321 1.00 0.00 H new ATOM 0 HA GLN A 53 7.053 12.470 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.027 10.670 -8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.535 10.225 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.371 11.149 -9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.958 10.956 -10.585 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.902 9.205 -11.943 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.706 7.599 -11.233 1.00 0.00 H new ATOM 480 N ASP A 54 7.300 13.373 -10.157 1.00 0.00 N ATOM 481 CA ASP A 54 8.075 14.222 -11.059 1.00 0.00 C ATOM 482 C ASP A 54 7.467 15.617 -11.152 1.00 0.00 C ATOM 483 O ASP A 54 8.177 16.615 -11.275 1.00 0.00 O ATOM 484 CB ASP A 54 8.123 13.608 -12.460 1.00 0.00 C ATOM 485 CG ASP A 54 9.298 12.640 -12.552 1.00 0.00 C ATOM 486 OD1 ASP A 54 10.383 13.017 -12.140 1.00 0.00 O ATOM 487 OD2 ASP A 54 9.096 11.537 -13.032 1.00 0.00 O ATOM 0 H ASP A 54 6.518 12.886 -10.595 1.00 0.00 H new ATOM 0 HA ASP A 54 9.085 14.298 -10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.190 13.085 -12.672 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.225 14.393 -13.209 1.00 0.00 H new ATOM 492 N GLY A 55 6.139 15.667 -11.120 1.00 0.00 N ATOM 493 CA GLY A 55 5.424 16.937 -11.233 1.00 0.00 C ATOM 494 C GLY A 55 4.932 17.158 -12.670 1.00 0.00 C ATOM 495 O GLY A 55 4.570 18.272 -13.051 1.00 0.00 O ATOM 0 H GLY A 55 5.538 14.849 -11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.576 16.945 -10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.080 17.756 -10.938 1.00 0.00 H new ATOM 499 N SER A 56 4.924 16.082 -13.465 1.00 0.00 N ATOM 500 CA SER A 56 4.484 16.155 -14.852 1.00 0.00 C ATOM 501 C SER A 56 4.015 14.762 -15.302 1.00 0.00 C ATOM 502 O SER A 56 3.571 13.964 -14.476 1.00 0.00 O ATOM 503 CB SER A 56 5.635 16.650 -15.737 1.00 0.00 C ATOM 504 OG SER A 56 5.165 16.821 -17.067 1.00 0.00 O ATOM 0 H SER A 56 5.219 15.152 -13.166 1.00 0.00 H new ATOM 0 HA SER A 56 3.656 16.857 -14.943 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.025 17.593 -15.353 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.457 15.934 -15.719 1.00 0.00 H new ATOM 0 HG SER A 56 4.556 17.588 -17.103 1.00 0.00 H new ATOM 510 N CYS A 57 4.119 14.460 -16.601 1.00 0.00 N ATOM 511 CA CYS A 57 3.700 13.145 -17.092 1.00 0.00 C ATOM 512 C CYS A 57 4.814 12.519 -17.951 1.00 0.00 C ATOM 513 O CYS A 57 4.605 12.215 -19.128 1.00 0.00 O ATOM 514 CB CYS A 57 2.412 13.233 -17.937 1.00 0.00 C ATOM 515 SG CYS A 57 1.252 14.450 -17.251 1.00 0.00 S ATOM 0 H CYS A 57 4.481 15.092 -17.315 1.00 0.00 H new ATOM 0 HA CYS A 57 3.502 12.524 -16.219 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.665 13.506 -18.961 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.934 12.254 -17.977 1.00 0.00 H new ATOM 520 N PRO A 58 6.017 12.313 -17.384 1.00 0.00 N ATOM 521 CA PRO A 58 7.137 11.718 -18.139 1.00 0.00 C ATOM 522 C PRO A 58 7.020 10.201 -18.264 1.00 0.00 C ATOM 523 O PRO A 58 6.511 9.527 -17.368 1.00 0.00 O ATOM 524 CB PRO A 58 8.345 12.091 -17.291 1.00 0.00 C ATOM 525 CG PRO A 58 7.837 12.323 -15.876 1.00 0.00 C ATOM 526 CD PRO A 58 6.345 12.652 -15.978 1.00 0.00 C ATOM 0 HA PRO A 58 7.181 12.078 -19.167 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.090 11.295 -17.308 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.828 12.988 -17.680 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.994 11.437 -15.261 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.380 13.141 -15.402 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.755 12.065 -15.274 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.149 13.702 -15.761 1.00 0.00 H new ATOM 534 N ALA A 59 7.502 9.673 -19.384 1.00 0.00 N ATOM 535 CA ALA A 59 7.454 8.233 -19.617 1.00 0.00 C ATOM 536 C ALA A 59 8.597 7.545 -18.879 1.00 0.00 C ATOM 537 O ALA A 59 9.768 7.840 -19.110 1.00 0.00 O ATOM 538 CB ALA A 59 7.567 7.925 -21.111 1.00 0.00 C ATOM 0 H ALA A 59 7.926 10.213 -20.138 1.00 0.00 H new ATOM 0 HA ALA A 59 6.499 7.861 -19.246 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.529 6.846 -21.264 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.741 8.396 -21.643 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.512 8.313 -21.492 1.00 0.00 H new ATOM 544 N ASN A 60 8.240 6.630 -17.981 1.00 0.00 N ATOM 545 CA ASN A 60 9.242 5.904 -17.202 1.00 0.00 C ATOM 546 C ASN A 60 10.112 5.033 -18.107 1.00 0.00 C ATOM 547 O ASN A 60 9.904 3.824 -18.222 1.00 0.00 O ATOM 548 CB ASN A 60 8.566 5.015 -16.154 1.00 0.00 C ATOM 549 CG ASN A 60 7.597 5.845 -15.314 1.00 0.00 C ATOM 550 OD1 ASN A 60 7.582 7.075 -15.396 1.00 0.00 O ATOM 551 ND2 ASN A 60 6.779 5.239 -14.499 1.00 0.00 N ATOM 0 H ASN A 60 7.274 6.375 -17.775 1.00 0.00 H new ATOM 0 HA ASN A 60 9.871 6.642 -16.704 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.031 4.202 -16.645 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.319 4.559 -15.511 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.129 5.783 -13.931 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.789 4.221 -14.429 1.00 0.00 H new ATOM 558 N THR A 61 11.097 5.663 -18.739 1.00 0.00 N ATOM 559 CA THR A 61 12.010 4.946 -19.625 1.00 0.00 C ATOM 560 C THR A 61 13.371 4.796 -18.952 1.00 0.00 C ATOM 561 O THR A 61 14.066 3.796 -19.133 1.00 0.00 O ATOM 562 CB THR A 61 12.183 5.699 -20.947 1.00 0.00 C ATOM 563 OG1 THR A 61 12.618 7.025 -20.680 1.00 0.00 O ATOM 564 CG2 THR A 61 10.849 5.736 -21.693 1.00 0.00 C ATOM 0 H THR A 61 11.284 6.662 -18.656 1.00 0.00 H new ATOM 0 HA THR A 61 11.588 3.962 -19.830 1.00 0.00 H new ATOM 0 HB THR A 61 12.925 5.190 -21.562 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.731 7.509 -21.525 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.973 6.272 -22.634 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.518 4.718 -21.897 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.104 6.245 -21.081 1.00 0.00 H new ATOM 572 N ALA A 62 13.733 5.805 -18.162 1.00 0.00 N ATOM 573 CA ALA A 62 15.005 5.787 -17.446 1.00 0.00 C ATOM 574 C ALA A 62 14.795 6.257 -16.008 1.00 0.00 C ATOM 575 O ALA A 62 15.663 6.892 -15.411 1.00 0.00 O ATOM 576 CB ALA A 62 16.020 6.705 -18.129 1.00 0.00 C ATOM 0 H ALA A 62 13.168 6.639 -18.003 1.00 0.00 H new ATOM 0 HA ALA A 62 15.388 4.766 -17.451 1.00 0.00 H new ATOM 0 HB1 ALA A 62 16.962 6.678 -17.581 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.186 6.367 -19.152 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.637 7.725 -18.142 1.00 0.00 H new ATOM 582 N ALA A 63 13.622 5.938 -15.466 1.00 0.00 N ATOM 583 CA ALA A 63 13.284 6.327 -14.101 1.00 0.00 C ATOM 584 C ALA A 63 13.547 5.162 -13.140 1.00 0.00 C ATOM 585 O ALA A 63 14.327 4.262 -13.452 1.00 0.00 O ATOM 586 CB ALA A 63 11.810 6.744 -14.034 1.00 0.00 C ATOM 0 H ALA A 63 12.893 5.413 -15.949 1.00 0.00 H new ATOM 0 HA ALA A 63 13.908 7.170 -13.805 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.560 7.034 -13.013 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.640 7.587 -14.703 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.181 5.907 -14.338 1.00 0.00 H new ATOM 592 N THR A 64 12.901 5.196 -11.962 1.00 0.00 N ATOM 593 CA THR A 64 13.064 4.146 -10.942 1.00 0.00 C ATOM 594 C THR A 64 14.532 3.742 -10.772 1.00 0.00 C ATOM 595 O THR A 64 14.872 2.558 -10.735 1.00 0.00 O ATOM 596 CB THR A 64 12.220 2.908 -11.281 1.00 0.00 C ATOM 597 OG1 THR A 64 12.385 1.934 -10.260 1.00 0.00 O ATOM 598 CG2 THR A 64 12.658 2.314 -12.621 1.00 0.00 C ATOM 0 H THR A 64 12.259 5.942 -11.692 1.00 0.00 H new ATOM 0 HA THR A 64 12.714 4.565 -9.999 1.00 0.00 H new ATOM 0 HB THR A 64 11.173 3.203 -11.351 1.00 0.00 H new ATOM 0 HG1 THR A 64 13.338 1.733 -10.150 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.050 1.438 -12.847 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.529 3.057 -13.408 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.707 2.023 -12.565 1.00 0.00 H new ATOM 606 N ALA A 65 15.391 4.749 -10.662 1.00 0.00 N ATOM 607 CA ALA A 65 16.821 4.510 -10.488 1.00 0.00 C ATOM 608 C ALA A 65 17.351 5.357 -9.335 1.00 0.00 C ATOM 609 O ALA A 65 18.050 4.862 -8.450 1.00 0.00 O ATOM 610 CB ALA A 65 17.585 4.866 -11.764 1.00 0.00 C ATOM 0 H ALA A 65 15.126 5.733 -10.690 1.00 0.00 H new ATOM 0 HA ALA A 65 16.968 3.453 -10.268 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.649 4.681 -11.615 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.222 4.252 -12.588 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.429 5.919 -12.000 1.00 0.00 H new ATOM 616 N GLY A 66 17.004 6.640 -9.359 1.00 0.00 N ATOM 617 CA GLY A 66 17.441 7.560 -8.313 1.00 0.00 C ATOM 618 C GLY A 66 16.248 8.097 -7.526 1.00 0.00 C ATOM 619 O GLY A 66 16.335 8.327 -6.319 1.00 0.00 O ATOM 0 H GLY A 66 16.426 7.064 -10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.127 7.049 -7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.991 8.389 -8.759 1.00 0.00 H new ATOM 623 N ILE A 67 15.131 8.298 -8.222 1.00 0.00 N ATOM 624 CA ILE A 67 13.923 8.811 -7.581 1.00 0.00 C ATOM 625 C ILE A 67 13.353 7.780 -6.612 1.00 0.00 C ATOM 626 O ILE A 67 13.340 8.001 -5.405 1.00 0.00 O ATOM 627 CB ILE A 67 12.862 9.156 -8.637 1.00 0.00 C ATOM 628 CG1 ILE A 67 13.468 10.093 -9.696 1.00 0.00 C ATOM 629 CG2 ILE A 67 11.669 9.843 -7.965 1.00 0.00 C ATOM 630 CD1 ILE A 67 13.977 11.381 -9.040 1.00 0.00 C ATOM 0 H ILE A 67 15.037 8.115 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 67 14.190 9.713 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 67 12.525 8.238 -9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.288 9.590 -10.210 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.719 10.333 -10.450 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.918 10.086 -8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 67 11.235 9.174 -7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.004 10.758 -7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.403 12.034 -9.802 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.149 11.890 -8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 67 14.742 11.136 -8.303 1.00 0.00 H new ATOM 642 N GLU A 68 12.885 6.659 -7.182 1.00 0.00 N ATOM 643 CA GLU A 68 12.288 5.532 -6.438 1.00 0.00 C ATOM 644 C GLU A 68 10.757 5.636 -6.466 1.00 0.00 C ATOM 645 O GLU A 68 10.053 4.627 -6.514 1.00 0.00 O ATOM 646 CB GLU A 68 12.844 5.400 -4.983 1.00 0.00 C ATOM 647 CG GLU A 68 11.923 6.052 -3.930 1.00 0.00 C ATOM 648 CD GLU A 68 12.445 5.733 -2.533 1.00 0.00 C ATOM 649 OE1 GLU A 68 13.640 5.866 -2.324 1.00 0.00 O ATOM 650 OE2 GLU A 68 11.643 5.360 -1.693 1.00 0.00 O ATOM 0 H GLU A 68 12.910 6.505 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 68 12.581 4.611 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.973 4.345 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.830 5.862 -4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.888 7.131 -4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.904 5.682 -4.043 1.00 0.00 H new ATOM 657 N LYS A 69 10.257 6.868 -6.435 1.00 0.00 N ATOM 658 CA LYS A 69 8.814 7.097 -6.458 1.00 0.00 C ATOM 659 C LYS A 69 8.248 6.792 -7.842 1.00 0.00 C ATOM 660 O LYS A 69 7.109 6.346 -7.981 1.00 0.00 O ATOM 661 CB LYS A 69 8.495 8.548 -6.098 1.00 0.00 C ATOM 662 CG LYS A 69 9.035 8.860 -4.701 1.00 0.00 C ATOM 663 CD LYS A 69 8.079 8.301 -3.646 1.00 0.00 C ATOM 664 CE LYS A 69 8.865 7.928 -2.388 1.00 0.00 C ATOM 665 NZ LYS A 69 7.916 7.671 -1.268 1.00 0.00 N ATOM 0 H LYS A 69 10.822 7.716 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 69 8.357 6.433 -5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.941 9.221 -6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.418 8.712 -6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.026 8.423 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.144 9.937 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.316 9.040 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.562 7.425 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.472 7.042 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.549 8.733 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.450 7.417 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.355 8.527 -1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.280 6.889 -1.524 1.00 0.00 H new ATOM 679 N ASP A 70 9.061 7.041 -8.865 1.00 0.00 N ATOM 680 CA ASP A 70 8.641 6.797 -10.245 1.00 0.00 C ATOM 681 C ASP A 70 8.267 5.328 -10.469 1.00 0.00 C ATOM 682 O ASP A 70 7.579 4.999 -11.435 1.00 0.00 O ATOM 683 CB ASP A 70 9.762 7.172 -11.214 1.00 0.00 C ATOM 684 CG ASP A 70 9.158 7.633 -12.537 1.00 0.00 C ATOM 685 OD1 ASP A 70 8.143 7.079 -12.927 1.00 0.00 O ATOM 686 OD2 ASP A 70 9.718 8.533 -13.140 1.00 0.00 O ATOM 0 H ASP A 70 10.007 7.409 -8.768 1.00 0.00 H new ATOM 0 HA ASP A 70 7.763 7.415 -10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.376 7.965 -10.787 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.416 6.316 -11.379 1.00 0.00 H new ATOM 691 N THR A 71 8.721 4.448 -9.578 1.00 0.00 N ATOM 692 CA THR A 71 8.413 3.026 -9.713 1.00 0.00 C ATOM 693 C THR A 71 6.997 2.742 -9.220 1.00 0.00 C ATOM 694 O THR A 71 6.741 2.690 -8.017 1.00 0.00 O ATOM 695 CB THR A 71 9.402 2.184 -8.902 1.00 0.00 C ATOM 696 OG1 THR A 71 10.629 2.890 -8.775 1.00 0.00 O ATOM 697 CG2 THR A 71 9.647 0.853 -9.614 1.00 0.00 C ATOM 0 H THR A 71 9.293 4.689 -8.769 1.00 0.00 H new ATOM 0 HA THR A 71 8.492 2.761 -10.767 1.00 0.00 H new ATOM 0 HB THR A 71 8.989 1.991 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.369 2.312 -9.055 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.351 0.255 -9.035 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.705 0.313 -9.710 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.060 1.041 -10.605 1.00 0.00 H new ATOM 705 N ASP A 72 6.077 2.564 -10.167 1.00 0.00 N ATOM 706 CA ASP A 72 4.683 2.294 -9.822 1.00 0.00 C ATOM 707 C ASP A 72 4.436 0.792 -9.699 1.00 0.00 C ATOM 708 O ASP A 72 3.596 0.353 -8.914 1.00 0.00 O ATOM 709 CB ASP A 72 3.748 2.865 -10.889 1.00 0.00 C ATOM 710 CG ASP A 72 3.996 4.361 -11.035 1.00 0.00 C ATOM 711 OD1 ASP A 72 4.154 5.017 -10.018 1.00 0.00 O ATOM 712 OD2 ASP A 72 4.025 4.832 -12.160 1.00 0.00 O ATOM 0 H ASP A 72 6.269 2.601 -11.168 1.00 0.00 H new ATOM 0 HA ASP A 72 4.480 2.772 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.917 2.363 -11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.709 2.683 -10.612 1.00 0.00 H new ATOM 717 N ILE A 73 5.173 0.010 -10.483 1.00 0.00 N ATOM 718 CA ILE A 73 5.020 -1.443 -10.451 1.00 0.00 C ATOM 719 C ILE A 73 5.388 -1.983 -9.070 1.00 0.00 C ATOM 720 O ILE A 73 6.526 -2.382 -8.824 1.00 0.00 O ATOM 721 CB ILE A 73 5.915 -2.104 -11.507 1.00 0.00 C ATOM 722 CG1 ILE A 73 5.600 -1.514 -12.884 1.00 0.00 C ATOM 723 CG2 ILE A 73 5.657 -3.614 -11.538 1.00 0.00 C ATOM 724 CD1 ILE A 73 6.851 -1.576 -13.764 1.00 0.00 C ATOM 0 H ILE A 73 5.874 0.351 -11.141 1.00 0.00 H new ATOM 0 HA ILE A 73 3.978 -1.678 -10.668 1.00 0.00 H new ATOM 0 HB ILE A 73 6.959 -1.919 -11.255 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.786 -2.068 -13.351 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.265 -0.482 -12.781 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.296 -4.077 -12.290 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.879 -4.041 -10.560 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.612 -3.800 -11.786 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.627 -1.156 -14.745 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.652 -1.003 -13.298 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.165 -2.614 -13.877 1.00 0.00 H new ATOM 736 N ASN A 74 4.405 -1.992 -8.173 1.00 0.00 N ATOM 737 CA ASN A 74 4.627 -2.487 -6.817 1.00 0.00 C ATOM 738 C ASN A 74 3.581 -3.542 -6.465 1.00 0.00 C ATOM 739 O ASN A 74 2.672 -3.304 -5.667 1.00 0.00 O ATOM 740 CB ASN A 74 4.550 -1.338 -5.808 1.00 0.00 C ATOM 741 CG ASN A 74 5.566 -0.263 -6.181 1.00 0.00 C ATOM 742 OD1 ASN A 74 6.773 -0.507 -6.161 1.00 0.00 O ATOM 743 ND2 ASN A 74 5.145 0.923 -6.524 1.00 0.00 N ATOM 0 H ASN A 74 3.456 -1.666 -8.358 1.00 0.00 H new ATOM 0 HA ASN A 74 5.621 -2.933 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.545 -0.916 -5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.750 -1.709 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.816 1.649 -6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.145 1.124 -6.540 1.00 0.00 H new ATOM 750 N GLY A 75 3.716 -4.715 -7.077 1.00 0.00 N ATOM 751 CA GLY A 75 2.778 -5.806 -6.832 1.00 0.00 C ATOM 752 C GLY A 75 3.500 -7.146 -6.809 1.00 0.00 C ATOM 753 O GLY A 75 4.625 -7.272 -7.294 1.00 0.00 O ATOM 0 H GLY A 75 4.459 -4.934 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.268 -5.646 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.012 -5.814 -7.608 1.00 0.00 H new ATOM 757 N LYS A 76 2.836 -8.150 -6.246 1.00 0.00 N ATOM 758 CA LYS A 76 3.414 -9.487 -6.168 1.00 0.00 C ATOM 759 C LYS A 76 3.143 -10.240 -7.467 1.00 0.00 C ATOM 760 O LYS A 76 2.477 -11.277 -7.485 1.00 0.00 O ATOM 761 CB LYS A 76 2.818 -10.262 -4.990 1.00 0.00 C ATOM 762 CG LYS A 76 3.261 -9.613 -3.678 1.00 0.00 C ATOM 763 CD LYS A 76 2.187 -8.633 -3.202 1.00 0.00 C ATOM 764 CE LYS A 76 2.313 -8.429 -1.691 1.00 0.00 C ATOM 765 NZ LYS A 76 1.092 -7.747 -1.178 1.00 0.00 N ATOM 0 H LYS A 76 1.904 -8.065 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 76 4.489 -9.394 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.730 -10.267 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.144 -11.302 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.430 -10.379 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.207 -9.091 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.296 -7.679 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.196 -9.016 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.442 -9.390 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.197 -7.832 -1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.178 -7.608 -0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.988 -6.823 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.257 -8.333 -1.380 1.00 0.00 H new ATOM 779 N TYR A 77 3.668 -9.693 -8.560 1.00 0.00 N ATOM 780 CA TYR A 77 3.483 -10.299 -9.878 1.00 0.00 C ATOM 781 C TYR A 77 2.011 -10.256 -10.269 1.00 0.00 C ATOM 782 O TYR A 77 1.488 -11.181 -10.888 1.00 0.00 O ATOM 783 CB TYR A 77 3.968 -11.753 -9.889 1.00 0.00 C ATOM 784 CG TYR A 77 5.381 -11.818 -9.357 1.00 0.00 C ATOM 785 CD1 TYR A 77 6.461 -11.545 -10.205 1.00 0.00 C ATOM 786 CD2 TYR A 77 5.609 -12.149 -8.016 1.00 0.00 C ATOM 787 CE1 TYR A 77 7.771 -11.604 -9.712 1.00 0.00 C ATOM 788 CE2 TYR A 77 6.919 -12.208 -7.524 1.00 0.00 C ATOM 789 CZ TYR A 77 7.999 -11.936 -8.371 1.00 0.00 C ATOM 790 OH TYR A 77 9.289 -11.994 -7.885 1.00 0.00 O ATOM 0 H TYR A 77 4.222 -8.836 -8.561 1.00 0.00 H new ATOM 0 HA TYR A 77 4.072 -9.729 -10.596 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.310 -12.372 -9.279 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.931 -12.152 -10.903 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.284 -11.289 -11.239 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.776 -12.359 -7.362 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.604 -11.394 -10.366 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.096 -12.464 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 77 9.270 -12.237 -6.936 1.00 0.00 H new ATOM 800 N VAL A 78 1.350 -9.163 -9.904 1.00 0.00 N ATOM 801 CA VAL A 78 -0.063 -8.997 -10.227 1.00 0.00 C ATOM 802 C VAL A 78 -0.387 -7.522 -10.510 1.00 0.00 C ATOM 803 O VAL A 78 -1.542 -7.101 -10.446 1.00 0.00 O ATOM 804 CB VAL A 78 -0.929 -9.522 -9.071 1.00 0.00 C ATOM 805 CG1 VAL A 78 -0.709 -8.674 -7.812 1.00 0.00 C ATOM 806 CG2 VAL A 78 -2.407 -9.478 -9.467 1.00 0.00 C ATOM 0 H VAL A 78 1.764 -8.386 -9.390 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.284 -9.572 -11.126 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.641 -10.552 -8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.329 -9.058 -7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.340 -8.722 -7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.982 -7.639 -8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.016 -9.851 -8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.693 -8.451 -9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.566 -10.101 -10.347 1.00 0.00 H new ATOM 816 N ALA A 79 0.645 -6.739 -10.827 1.00 0.00 N ATOM 817 CA ALA A 79 0.444 -5.324 -11.117 1.00 0.00 C ATOM 818 C ALA A 79 1.628 -4.760 -11.898 1.00 0.00 C ATOM 819 O ALA A 79 2.785 -4.928 -11.513 1.00 0.00 O ATOM 820 CB ALA A 79 0.278 -4.531 -9.820 1.00 0.00 C ATOM 0 H ALA A 79 1.612 -7.056 -10.888 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.460 -5.232 -11.718 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.129 -3.477 -10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.586 -4.907 -9.272 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.173 -4.643 -9.208 1.00 0.00 H new ATOM 826 N LYS A 80 1.317 -4.080 -12.996 1.00 0.00 N ATOM 827 CA LYS A 80 2.348 -3.476 -13.835 1.00 0.00 C ATOM 828 C LYS A 80 1.852 -2.139 -14.371 1.00 0.00 C ATOM 829 O LYS A 80 1.132 -2.083 -15.368 1.00 0.00 O ATOM 830 CB LYS A 80 2.692 -4.393 -15.011 1.00 0.00 C ATOM 831 CG LYS A 80 3.717 -5.437 -14.561 1.00 0.00 C ATOM 832 CD LYS A 80 5.130 -4.899 -14.798 1.00 0.00 C ATOM 833 CE LYS A 80 6.077 -6.063 -15.096 1.00 0.00 C ATOM 834 NZ LYS A 80 6.135 -6.293 -16.567 1.00 0.00 N ATOM 0 H LYS A 80 0.363 -3.933 -13.326 1.00 0.00 H new ATOM 0 HA LYS A 80 3.242 -3.326 -13.230 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.791 -4.886 -15.377 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.093 -3.807 -15.838 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.577 -5.669 -13.505 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.573 -6.366 -15.113 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.128 -4.196 -15.631 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.474 -4.352 -13.920 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.073 -5.843 -14.712 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.733 -6.965 -14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.779 -7.084 -16.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.184 -6.521 -16.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.483 -5.434 -17.039 1.00 0.00 H new ATOM 848 N VAL A 81 2.230 -1.062 -13.688 1.00 0.00 N ATOM 849 CA VAL A 81 1.797 0.273 -14.099 1.00 0.00 C ATOM 850 C VAL A 81 2.991 1.134 -14.501 1.00 0.00 C ATOM 851 O VAL A 81 4.129 0.870 -14.117 1.00 0.00 O ATOM 852 CB VAL A 81 1.046 0.973 -12.960 1.00 0.00 C ATOM 853 CG1 VAL A 81 0.360 2.229 -13.501 1.00 0.00 C ATOM 854 CG2 VAL A 81 -0.013 0.029 -12.378 1.00 0.00 C ATOM 0 H VAL A 81 2.826 -1.084 -12.860 1.00 0.00 H new ATOM 0 HA VAL A 81 1.134 0.152 -14.955 1.00 0.00 H new ATOM 0 HB VAL A 81 1.754 1.247 -12.178 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.175 2.728 -12.693 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.110 2.905 -13.912 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.345 1.950 -14.284 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.543 0.532 -11.569 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.721 -0.249 -13.159 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.472 -0.868 -11.992 1.00 0.00 H new ATOM 864 N THR A 82 2.706 2.174 -15.278 1.00 0.00 N ATOM 865 CA THR A 82 3.747 3.090 -15.736 1.00 0.00 C ATOM 866 C THR A 82 3.139 4.457 -16.028 1.00 0.00 C ATOM 867 O THR A 82 1.925 4.590 -16.177 1.00 0.00 O ATOM 868 CB THR A 82 4.415 2.553 -17.005 1.00 0.00 C ATOM 869 OG1 THR A 82 4.720 1.176 -16.829 1.00 0.00 O ATOM 870 CG2 THR A 82 5.703 3.332 -17.276 1.00 0.00 C ATOM 0 H THR A 82 1.767 2.404 -15.603 1.00 0.00 H new ATOM 0 HA THR A 82 4.498 3.180 -14.951 1.00 0.00 H new ATOM 0 HB THR A 82 3.738 2.672 -17.851 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.146 0.829 -17.640 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.177 2.948 -18.179 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.468 4.388 -17.410 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.383 3.216 -16.432 1.00 0.00 H new ATOM 878 N THR A 83 3.992 5.470 -16.097 1.00 0.00 N ATOM 879 CA THR A 83 3.525 6.827 -16.353 1.00 0.00 C ATOM 880 C THR A 83 3.469 7.110 -17.850 1.00 0.00 C ATOM 881 O THR A 83 4.172 6.491 -18.649 1.00 0.00 O ATOM 882 CB THR A 83 4.459 7.839 -15.681 1.00 0.00 C ATOM 883 OG1 THR A 83 4.576 7.525 -14.301 1.00 0.00 O ATOM 884 CG2 THR A 83 3.901 9.254 -15.837 1.00 0.00 C ATOM 0 H THR A 83 5.001 5.381 -15.981 1.00 0.00 H new ATOM 0 HA THR A 83 2.521 6.922 -15.940 1.00 0.00 H new ATOM 0 HB THR A 83 5.439 7.791 -16.155 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.174 8.170 -13.868 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.573 9.965 -15.356 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.814 9.496 -16.896 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.918 9.311 -15.370 1.00 0.00 H new ATOM 892 N GLY A 84 2.616 8.062 -18.211 1.00 0.00 N ATOM 893 CA GLY A 84 2.448 8.449 -19.607 1.00 0.00 C ATOM 894 C GLY A 84 1.666 9.755 -19.712 1.00 0.00 C ATOM 895 O GLY A 84 1.032 10.194 -18.753 1.00 0.00 O ATOM 0 H GLY A 84 2.030 8.580 -17.556 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.424 8.565 -20.078 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.924 7.661 -20.148 1.00 0.00 H new ATOM 899 N GLY A 85 1.718 10.373 -20.891 1.00 0.00 N ATOM 900 CA GLY A 85 1.008 11.630 -21.112 1.00 0.00 C ATOM 901 C GLY A 85 1.988 12.792 -21.232 1.00 0.00 C ATOM 902 O GLY A 85 3.204 12.604 -21.200 1.00 0.00 O ATOM 0 H GLY A 85 2.238 10.029 -21.698 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.408 11.559 -22.019 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.319 11.813 -20.288 1.00 0.00 H new ATOM 906 N THR A 86 1.443 13.999 -21.370 1.00 0.00 N ATOM 907 CA THR A 86 2.274 15.189 -21.494 1.00 0.00 C ATOM 908 C THR A 86 1.552 16.407 -20.923 1.00 0.00 C ATOM 909 O THR A 86 0.839 17.115 -21.635 1.00 0.00 O ATOM 910 CB THR A 86 2.614 15.453 -22.962 1.00 0.00 C ATOM 911 OG1 THR A 86 3.144 14.270 -23.544 1.00 0.00 O ATOM 912 CG2 THR A 86 3.646 16.575 -23.051 1.00 0.00 C ATOM 0 H THR A 86 0.439 14.176 -21.398 1.00 0.00 H new ATOM 0 HA THR A 86 3.193 15.017 -20.934 1.00 0.00 H new ATOM 0 HB THR A 86 1.712 15.748 -23.498 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.361 14.437 -24.485 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.889 16.764 -24.097 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.238 17.481 -22.604 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.549 16.282 -22.516 1.00 0.00 H new ATOM 920 N ALA A 87 1.750 16.643 -19.630 1.00 0.00 N ATOM 921 CA ALA A 87 1.119 17.780 -18.967 1.00 0.00 C ATOM 922 C ALA A 87 2.182 18.642 -18.273 1.00 0.00 C ATOM 923 O ALA A 87 3.362 18.576 -18.615 1.00 0.00 O ATOM 924 CB ALA A 87 0.084 17.296 -17.945 1.00 0.00 C ATOM 0 H ALA A 87 2.337 16.069 -19.025 1.00 0.00 H new ATOM 0 HA ALA A 87 0.610 18.383 -19.719 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.377 18.156 -17.459 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.683 16.711 -18.453 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.575 16.676 -17.195 1.00 0.00 H new ATOM 930 N ALA A 88 1.756 19.459 -17.302 1.00 0.00 N ATOM 931 CA ALA A 88 2.673 20.338 -16.573 1.00 0.00 C ATOM 932 C ALA A 88 1.856 21.359 -15.800 1.00 0.00 C ATOM 933 O ALA A 88 1.661 22.491 -16.244 1.00 0.00 O ATOM 934 CB ALA A 88 3.624 21.081 -17.522 1.00 0.00 C ATOM 0 H ALA A 88 0.783 19.528 -17.005 1.00 0.00 H new ATOM 0 HA ALA A 88 3.274 19.724 -15.903 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.288 21.723 -16.943 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.216 20.358 -18.083 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.044 21.691 -18.215 1.00 0.00 H new ATOM 940 N ALA A 89 1.352 20.935 -14.645 1.00 0.00 N ATOM 941 CA ALA A 89 0.522 21.803 -13.815 1.00 0.00 C ATOM 942 C ALA A 89 -0.828 22.030 -14.493 1.00 0.00 C ATOM 943 O ALA A 89 -1.437 23.091 -14.356 1.00 0.00 O ATOM 944 CB ALA A 89 1.196 23.159 -13.567 1.00 0.00 C ATOM 0 H ALA A 89 1.502 20.001 -14.264 1.00 0.00 H new ATOM 0 HA ALA A 89 0.382 21.308 -12.854 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.549 23.779 -12.946 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.148 23.005 -13.059 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.370 23.658 -14.520 1.00 0.00 H new ATOM 950 N SER A 90 -1.289 21.015 -15.222 1.00 0.00 N ATOM 951 CA SER A 90 -2.573 21.109 -15.914 1.00 0.00 C ATOM 952 C SER A 90 -3.303 19.761 -15.923 1.00 0.00 C ATOM 953 O SER A 90 -4.250 19.568 -16.687 1.00 0.00 O ATOM 954 CB SER A 90 -2.365 21.568 -17.357 1.00 0.00 C ATOM 955 OG SER A 90 -1.308 20.819 -17.941 1.00 0.00 O ATOM 0 H SER A 90 -0.800 20.129 -15.348 1.00 0.00 H new ATOM 0 HA SER A 90 -3.181 21.836 -15.376 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.282 21.432 -17.930 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.129 22.632 -17.382 1.00 0.00 H new ATOM 0 HG SER A 90 -1.174 21.110 -18.867 1.00 0.00 H new ATOM 961 N GLY A 91 -2.864 18.827 -15.067 1.00 0.00 N ATOM 962 CA GLY A 91 -3.494 17.501 -14.988 1.00 0.00 C ATOM 963 C GLY A 91 -3.706 16.889 -16.373 1.00 0.00 C ATOM 964 O GLY A 91 -4.726 17.127 -17.020 1.00 0.00 O ATOM 0 H GLY A 91 -2.083 18.963 -14.425 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.870 16.837 -14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.453 17.584 -14.477 1.00 0.00 H new ATOM 968 N GLY A 92 -2.734 16.097 -16.821 1.00 0.00 N ATOM 969 CA GLY A 92 -2.840 15.464 -18.131 1.00 0.00 C ATOM 970 C GLY A 92 -1.902 14.269 -18.255 1.00 0.00 C ATOM 971 O GLY A 92 -1.233 14.096 -19.274 1.00 0.00 O ATOM 0 H GLY A 92 -1.880 15.882 -16.307 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.867 15.139 -18.297 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.607 16.192 -18.908 1.00 0.00 H new ATOM 975 N CYS A 93 -1.858 13.439 -17.217 1.00 0.00 N ATOM 976 CA CYS A 93 -0.993 12.262 -17.248 1.00 0.00 C ATOM 977 C CYS A 93 -1.815 11.002 -17.472 1.00 0.00 C ATOM 978 O CYS A 93 -2.656 10.640 -16.651 1.00 0.00 O ATOM 979 CB CYS A 93 -0.213 12.105 -15.939 1.00 0.00 C ATOM 980 SG CYS A 93 0.621 13.655 -15.503 1.00 0.00 S ATOM 0 H CYS A 93 -2.399 13.554 -16.360 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.290 12.403 -18.069 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.892 11.813 -15.138 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.522 11.306 -16.041 1.00 0.00 H new ATOM 985 N THR A 94 -1.552 10.328 -18.585 1.00 0.00 N ATOM 986 CA THR A 94 -2.266 9.097 -18.901 1.00 0.00 C ATOM 987 C THR A 94 -1.455 7.892 -18.436 1.00 0.00 C ATOM 988 O THR A 94 -0.603 7.379 -19.161 1.00 0.00 O ATOM 989 CB THR A 94 -2.509 8.988 -20.409 1.00 0.00 C ATOM 990 OG1 THR A 94 -1.430 9.593 -21.106 1.00 0.00 O ATOM 991 CG2 THR A 94 -3.814 9.699 -20.769 1.00 0.00 C ATOM 0 H THR A 94 -0.857 10.609 -19.277 1.00 0.00 H new ATOM 0 HA THR A 94 -3.226 9.116 -18.386 1.00 0.00 H new ATOM 0 HB THR A 94 -2.580 7.938 -20.691 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.583 9.522 -22.071 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.987 9.621 -21.842 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.642 9.234 -20.234 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.745 10.750 -20.488 1.00 0.00 H new ATOM 999 N ILE A 95 -1.731 7.447 -17.213 1.00 0.00 N ATOM 1000 CA ILE A 95 -1.022 6.302 -16.651 1.00 0.00 C ATOM 1001 C ILE A 95 -1.753 5.013 -17.013 1.00 0.00 C ATOM 1002 O ILE A 95 -2.981 4.952 -16.996 1.00 0.00 O ATOM 1003 CB ILE A 95 -0.922 6.441 -15.124 1.00 0.00 C ATOM 1004 CG1 ILE A 95 -0.171 7.736 -14.792 1.00 0.00 C ATOM 1005 CG2 ILE A 95 -0.158 5.255 -14.521 1.00 0.00 C ATOM 1006 CD1 ILE A 95 -1.140 8.919 -14.802 1.00 0.00 C ATOM 0 H ILE A 95 -2.433 7.857 -16.598 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.015 6.268 -17.067 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.928 6.462 -14.705 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.302 7.651 -13.814 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.625 7.901 -15.518 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.098 5.373 -13.439 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.680 4.328 -14.757 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.848 5.221 -14.938 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.599 9.835 -14.565 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.593 9.010 -15.789 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.920 8.756 -14.059 1.00 0.00 H new ATOM 1018 N VAL A 96 -0.978 3.988 -17.353 1.00 0.00 N ATOM 1019 CA VAL A 96 -1.561 2.703 -17.732 1.00 0.00 C ATOM 1020 C VAL A 96 -1.153 1.608 -16.750 1.00 0.00 C ATOM 1021 O VAL A 96 0.030 1.311 -16.582 1.00 0.00 O ATOM 1022 CB VAL A 96 -1.112 2.305 -19.141 1.00 0.00 C ATOM 1023 CG1 VAL A 96 -1.879 1.059 -19.594 1.00 0.00 C ATOM 1024 CG2 VAL A 96 -1.399 3.454 -20.110 1.00 0.00 C ATOM 0 H VAL A 96 0.041 4.019 -17.375 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.645 2.813 -17.712 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.043 2.090 -19.131 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.557 0.778 -20.597 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.679 0.238 -18.906 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.948 1.273 -19.602 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.080 3.172 -21.113 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.468 3.667 -20.116 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.854 4.343 -19.792 1.00 0.00 H new ATOM 1034 N ALA A 97 -2.154 1.004 -16.119 1.00 0.00 N ATOM 1035 CA ALA A 97 -1.911 -0.074 -15.165 1.00 0.00 C ATOM 1036 C ALA A 97 -2.376 -1.397 -15.764 1.00 0.00 C ATOM 1037 O ALA A 97 -3.323 -1.432 -16.549 1.00 0.00 O ATOM 1038 CB ALA A 97 -2.666 0.180 -13.860 1.00 0.00 C ATOM 0 H ALA A 97 -3.138 1.241 -16.249 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.843 -0.115 -14.952 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.472 -0.635 -13.163 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.330 1.120 -13.422 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.735 0.236 -14.063 1.00 0.00 H new ATOM 1044 N THR A 98 -1.699 -2.482 -15.401 1.00 0.00 N ATOM 1045 CA THR A 98 -2.065 -3.792 -15.937 1.00 0.00 C ATOM 1046 C THR A 98 -1.713 -4.915 -14.967 1.00 0.00 C ATOM 1047 O THR A 98 -0.587 -5.009 -14.482 1.00 0.00 O ATOM 1048 CB THR A 98 -1.339 -4.041 -17.260 1.00 0.00 C ATOM 1049 OG1 THR A 98 -1.485 -2.903 -18.100 1.00 0.00 O ATOM 1050 CG2 THR A 98 -1.938 -5.266 -17.949 1.00 0.00 C ATOM 0 H THR A 98 -0.911 -2.485 -14.753 1.00 0.00 H new ATOM 0 HA THR A 98 -3.144 -3.789 -16.092 1.00 0.00 H new ATOM 0 HB THR A 98 -0.281 -4.217 -17.067 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.019 -3.060 -18.948 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.420 -5.443 -18.892 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.825 -6.138 -17.304 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.996 -5.093 -18.143 1.00 0.00 H new ATOM 1058 N MET A 99 -2.691 -5.783 -14.714 1.00 0.00 N ATOM 1059 CA MET A 99 -2.481 -6.925 -13.825 1.00 0.00 C ATOM 1060 C MET A 99 -2.012 -8.116 -14.645 1.00 0.00 C ATOM 1061 O MET A 99 -2.759 -8.646 -15.467 1.00 0.00 O ATOM 1062 CB MET A 99 -3.777 -7.309 -13.115 1.00 0.00 C ATOM 1063 CG MET A 99 -4.208 -6.177 -12.182 1.00 0.00 C ATOM 1064 SD MET A 99 -5.794 -6.597 -11.415 1.00 0.00 S ATOM 1065 CE MET A 99 -6.756 -5.240 -12.127 1.00 0.00 C ATOM 0 H MET A 99 -3.630 -5.719 -15.108 1.00 0.00 H new ATOM 0 HA MET A 99 -1.735 -6.648 -13.080 1.00 0.00 H new ATOM 0 HB2 MET A 99 -4.559 -7.507 -13.848 1.00 0.00 H new ATOM 0 HB3 MET A 99 -3.633 -8.227 -12.546 1.00 0.00 H new ATOM 0 HG2 MET A 99 -3.452 -6.017 -11.414 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.297 -5.245 -12.741 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.734 -5.197 -11.648 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.231 -4.298 -11.966 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.883 -5.406 -13.197 1.00 0.00 H new ATOM 1075 N LYS A 100 -0.766 -8.529 -14.432 1.00 0.00 N ATOM 1076 CA LYS A 100 -0.231 -9.656 -15.189 1.00 0.00 C ATOM 1077 C LYS A 100 0.552 -10.601 -14.282 1.00 0.00 C ATOM 1078 O LYS A 100 0.797 -10.306 -13.113 1.00 0.00 O ATOM 1079 CB LYS A 100 0.695 -9.162 -16.305 1.00 0.00 C ATOM 1080 CG LYS A 100 -0.014 -8.083 -17.130 1.00 0.00 C ATOM 1081 CD LYS A 100 -1.046 -8.739 -18.050 1.00 0.00 C ATOM 1082 CE LYS A 100 -0.387 -9.092 -19.384 1.00 0.00 C ATOM 1083 NZ LYS A 100 -0.386 -7.895 -20.271 1.00 0.00 N ATOM 0 H LYS A 100 -0.122 -8.113 -13.759 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.076 -10.191 -15.622 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.613 -8.760 -15.877 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.981 -9.995 -16.948 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.503 -7.368 -16.469 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.713 -7.526 -17.721 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.448 -9.637 -17.582 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.885 -8.063 -18.214 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.634 -9.435 -19.218 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.925 -9.911 -19.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.062 -8.135 -21.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.365 -7.587 -20.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.145 -7.126 -19.815 1.00 0.00 H new ATOM 1097 N ALA A 101 0.946 -11.744 -14.846 1.00 0.00 N ATOM 1098 CA ALA A 101 1.713 -12.748 -14.100 1.00 0.00 C ATOM 1099 C ALA A 101 1.034 -13.097 -12.774 1.00 0.00 C ATOM 1100 O ALA A 101 1.691 -13.511 -11.818 1.00 0.00 O ATOM 1101 CB ALA A 101 3.124 -12.233 -13.812 1.00 0.00 C ATOM 0 H ALA A 101 0.748 -11.999 -15.814 1.00 0.00 H new ATOM 0 HA ALA A 101 1.763 -13.645 -14.718 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.681 -12.989 -13.258 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.634 -12.023 -14.752 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.064 -11.320 -13.220 1.00 0.00 H new ATOM 1107 N SER A 102 -0.284 -12.923 -12.723 1.00 0.00 N ATOM 1108 CA SER A 102 -1.032 -13.219 -11.505 1.00 0.00 C ATOM 1109 C SER A 102 -1.447 -14.705 -11.490 1.00 0.00 C ATOM 1110 O SER A 102 -0.678 -15.562 -11.924 1.00 0.00 O ATOM 1111 CB SER A 102 -2.255 -12.296 -11.425 1.00 0.00 C ATOM 1112 OG SER A 102 -3.220 -12.712 -12.382 1.00 0.00 O ATOM 0 H SER A 102 -0.850 -12.583 -13.500 1.00 0.00 H new ATOM 0 HA SER A 102 -0.406 -13.039 -10.631 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.683 -12.326 -10.423 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.959 -11.264 -11.614 1.00 0.00 H new ATOM 0 HG SER A 102 -4.004 -12.126 -12.333 1.00 0.00 H new ATOM 1118 N ASP A 103 -2.655 -15.017 -10.998 1.00 0.00 N ATOM 1119 CA ASP A 103 -3.105 -16.405 -10.957 1.00 0.00 C ATOM 1120 C ASP A 103 -4.627 -16.473 -10.872 1.00 0.00 C ATOM 1121 O ASP A 103 -5.190 -17.399 -10.290 1.00 0.00 O ATOM 1122 CB ASP A 103 -2.507 -17.127 -9.749 1.00 0.00 C ATOM 1123 CG ASP A 103 -2.340 -18.608 -10.071 1.00 0.00 C ATOM 1124 OD1 ASP A 103 -3.288 -19.196 -10.564 1.00 0.00 O ATOM 1125 OD2 ASP A 103 -1.266 -19.131 -9.822 1.00 0.00 O ATOM 0 H ASP A 103 -3.322 -14.338 -10.631 1.00 0.00 H new ATOM 0 HA ASP A 103 -2.771 -16.892 -11.873 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -1.543 -16.689 -9.491 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -3.155 -17.004 -8.881 1.00 0.00 H new ATOM 1130 N VAL A 104 -5.288 -15.480 -11.462 1.00 0.00 N ATOM 1131 CA VAL A 104 -6.748 -15.437 -11.449 1.00 0.00 C ATOM 1132 C VAL A 104 -7.313 -16.540 -12.339 1.00 0.00 C ATOM 1133 O VAL A 104 -6.571 -17.364 -12.875 1.00 0.00 O ATOM 1134 CB VAL A 104 -7.246 -14.077 -11.944 1.00 0.00 C ATOM 1135 CG1 VAL A 104 -6.799 -12.985 -10.972 1.00 0.00 C ATOM 1136 CG2 VAL A 104 -6.660 -13.793 -13.330 1.00 0.00 C ATOM 0 H VAL A 104 -4.842 -14.703 -11.950 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.088 -15.589 -10.425 1.00 0.00 H new ATOM 0 HB VAL A 104 -8.334 -14.089 -12.003 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.154 -12.017 -11.325 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.213 -13.185 -9.984 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.711 -12.973 -10.913 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -7.014 -12.825 -13.683 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.572 -13.781 -13.269 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -6.976 -14.571 -14.025 1.00 0.00 H new ATOM 1146 N ALA A 105 -8.636 -16.547 -12.495 1.00 0.00 N ATOM 1147 CA ALA A 105 -9.292 -17.556 -13.325 1.00 0.00 C ATOM 1148 C ALA A 105 -8.753 -17.520 -14.754 1.00 0.00 C ATOM 1149 O ALA A 105 -8.415 -16.459 -15.280 1.00 0.00 O ATOM 1150 CB ALA A 105 -10.803 -17.320 -13.359 1.00 0.00 C ATOM 0 H ALA A 105 -9.269 -15.874 -12.063 1.00 0.00 H new ATOM 0 HA ALA A 105 -9.083 -18.532 -12.887 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.276 -18.080 -13.981 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -11.203 -17.379 -12.347 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -11.008 -16.333 -13.773 1.00 0.00 H new ATOM 1156 N THR A 106 -8.685 -18.698 -15.377 1.00 0.00 N ATOM 1157 CA THR A 106 -8.191 -18.818 -16.752 1.00 0.00 C ATOM 1158 C THR A 106 -6.793 -18.198 -16.893 1.00 0.00 C ATOM 1159 O THR A 106 -6.296 -17.556 -15.967 1.00 0.00 O ATOM 1160 CB THR A 106 -9.156 -18.140 -17.750 1.00 0.00 C ATOM 1161 OG1 THR A 106 -10.202 -17.480 -17.048 1.00 0.00 O ATOM 1162 CG2 THR A 106 -9.766 -19.194 -18.680 1.00 0.00 C ATOM 0 H THR A 106 -8.965 -19.582 -14.953 1.00 0.00 H new ATOM 0 HA THR A 106 -8.132 -19.882 -16.982 1.00 0.00 H new ATOM 0 HB THR A 106 -8.596 -17.411 -18.336 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.807 -17.052 -17.689 1.00 0.00 H new ATOM 0 HG21 THR A 106 -10.446 -18.710 -19.382 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.971 -19.696 -19.232 1.00 0.00 H new ATOM 0 HG23 THR A 106 -10.316 -19.926 -18.089 1.00 0.00 H new ATOM 1170 N PRO A 107 -6.139 -18.380 -18.055 1.00 0.00 N ATOM 1171 CA PRO A 107 -4.794 -17.822 -18.286 1.00 0.00 C ATOM 1172 C PRO A 107 -4.819 -16.339 -18.668 1.00 0.00 C ATOM 1173 O PRO A 107 -3.774 -15.696 -18.762 1.00 0.00 O ATOM 1174 CB PRO A 107 -4.283 -18.671 -19.444 1.00 0.00 C ATOM 1175 CG PRO A 107 -5.506 -19.216 -20.173 1.00 0.00 C ATOM 1176 CD PRO A 107 -6.688 -19.142 -19.202 1.00 0.00 C ATOM 0 HA PRO A 107 -4.172 -17.856 -17.392 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.667 -18.074 -20.117 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -3.658 -19.485 -19.078 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -5.710 -18.632 -21.071 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.336 -20.244 -20.493 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.544 -18.636 -19.648 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.025 -20.134 -18.902 1.00 0.00 H new ATOM 1184 N LEU A 108 -6.021 -15.802 -18.888 1.00 0.00 N ATOM 1185 CA LEU A 108 -6.163 -14.395 -19.257 1.00 0.00 C ATOM 1186 C LEU A 108 -5.554 -13.472 -18.197 1.00 0.00 C ATOM 1187 O LEU A 108 -5.262 -12.309 -18.475 1.00 0.00 O ATOM 1188 CB LEU A 108 -7.640 -14.041 -19.428 1.00 0.00 C ATOM 1189 CG LEU A 108 -8.241 -14.396 -20.789 1.00 0.00 C ATOM 1190 CD1 LEU A 108 -9.753 -14.169 -20.757 1.00 0.00 C ATOM 1191 CD2 LEU A 108 -7.616 -13.508 -21.868 1.00 0.00 C ATOM 0 H LEU A 108 -6.900 -16.315 -18.818 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.631 -14.250 -20.197 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.212 -14.551 -18.652 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.762 -12.971 -19.263 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.037 -15.443 -21.013 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.180 -14.422 -21.728 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.199 -14.800 -19.988 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.959 -13.123 -20.532 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.043 -13.760 -22.839 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.821 -12.462 -21.642 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.538 -13.670 -21.893 1.00 0.00 H new ATOM 1203 N ARG A 109 -5.368 -13.990 -16.977 1.00 0.00 N ATOM 1204 CA ARG A 109 -4.799 -13.185 -15.897 1.00 0.00 C ATOM 1205 C ARG A 109 -5.742 -12.028 -15.568 1.00 0.00 C ATOM 1206 O ARG A 109 -6.916 -12.055 -15.940 1.00 0.00 O ATOM 1207 CB ARG A 109 -3.426 -12.640 -16.300 1.00 0.00 C ATOM 1208 CG ARG A 109 -2.546 -13.787 -16.801 1.00 0.00 C ATOM 1209 CD ARG A 109 -1.074 -13.433 -16.590 1.00 0.00 C ATOM 1210 NE ARG A 109 -0.219 -14.250 -17.455 1.00 0.00 N ATOM 1211 CZ ARG A 109 -0.189 -14.088 -18.786 1.00 0.00 C ATOM 1212 NH1 ARG A 109 -0.925 -13.177 -19.377 1.00 0.00 N ATOM 1213 NH2 ARG A 109 0.588 -14.850 -19.507 1.00 0.00 N ATOM 0 H ARG A 109 -5.600 -14.949 -16.718 1.00 0.00 H new ATOM 0 HA ARG A 109 -4.676 -13.815 -15.016 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -3.537 -11.886 -17.079 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.953 -12.151 -15.448 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.790 -14.706 -16.267 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -2.738 -13.972 -17.858 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.914 -12.376 -16.804 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.802 -13.591 -15.546 1.00 0.00 H new ATOM 0 HE ARG A 109 0.372 -14.965 -17.031 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.535 -12.576 -18.823 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -0.888 -13.070 -20.391 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.165 -15.561 -19.057 1.00 0.00 H new ATOM 0 HH22 ARG A 109 0.618 -14.735 -20.520 1.00 0.00 H new ATOM 1227 N GLY A 110 -5.238 -11.012 -14.864 1.00 0.00 N ATOM 1228 CA GLY A 110 -6.073 -9.874 -14.505 1.00 0.00 C ATOM 1229 C GLY A 110 -6.628 -9.192 -15.750 1.00 0.00 C ATOM 1230 O GLY A 110 -7.673 -9.584 -16.264 1.00 0.00 O ATOM 0 H GLY A 110 -4.273 -10.957 -14.538 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -6.895 -10.207 -13.871 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -5.490 -9.160 -13.923 1.00 0.00 H new ATOM 1234 N LYS A 111 -5.909 -8.169 -16.230 1.00 0.00 N ATOM 1235 CA LYS A 111 -6.317 -7.410 -17.428 1.00 0.00 C ATOM 1236 C LYS A 111 -5.565 -6.079 -17.461 1.00 0.00 C ATOM 1237 O LYS A 111 -4.588 -5.900 -16.734 1.00 0.00 O ATOM 1238 CB LYS A 111 -7.842 -7.145 -17.450 1.00 0.00 C ATOM 1239 CG LYS A 111 -8.481 -7.935 -18.602 1.00 0.00 C ATOM 1240 CD LYS A 111 -9.784 -8.593 -18.134 1.00 0.00 C ATOM 1241 CE LYS A 111 -10.471 -9.268 -19.323 1.00 0.00 C ATOM 1242 NZ LYS A 111 -11.110 -8.234 -20.187 1.00 0.00 N ATOM 0 H LYS A 111 -5.039 -7.844 -15.808 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.072 -8.007 -18.306 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.287 -7.441 -16.500 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -8.035 -6.079 -17.574 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -8.682 -7.269 -19.441 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.788 -8.697 -18.959 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.574 -9.328 -17.357 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.444 -7.845 -17.695 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.743 -9.839 -19.900 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.222 -9.974 -18.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.259 -8.622 -21.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.026 -7.958 -19.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.492 -7.400 -20.245 1.00 0.00 H new ATOM 1256 N THR A 112 -6.013 -5.142 -18.303 1.00 0.00 N ATOM 1257 CA THR A 112 -5.336 -3.846 -18.388 1.00 0.00 C ATOM 1258 C THR A 112 -6.280 -2.714 -17.984 1.00 0.00 C ATOM 1259 O THR A 112 -7.501 -2.876 -17.976 1.00 0.00 O ATOM 1260 CB THR A 112 -4.806 -3.593 -19.809 1.00 0.00 C ATOM 1261 OG1 THR A 112 -5.891 -3.337 -20.685 1.00 0.00 O ATOM 1262 CG2 THR A 112 -4.028 -4.815 -20.311 1.00 0.00 C ATOM 0 H THR A 112 -6.819 -5.251 -18.919 1.00 0.00 H new ATOM 0 HA THR A 112 -4.493 -3.869 -17.698 1.00 0.00 H new ATOM 0 HB THR A 112 -4.140 -2.730 -19.786 1.00 0.00 H new ATOM 0 HG1 THR A 112 -5.550 -3.174 -21.589 1.00 0.00 H new ATOM 0 HG21 THR A 112 -3.658 -4.622 -21.318 1.00 0.00 H new ATOM 0 HG22 THR A 112 -3.186 -5.009 -19.646 1.00 0.00 H new ATOM 0 HG23 THR A 112 -4.686 -5.684 -20.326 1.00 0.00 H new ATOM 1270 N LEU A 113 -5.697 -1.569 -17.634 1.00 0.00 N ATOM 1271 CA LEU A 113 -6.488 -0.412 -17.214 1.00 0.00 C ATOM 1272 C LEU A 113 -5.666 0.870 -17.350 1.00 0.00 C ATOM 1273 O LEU A 113 -4.437 0.840 -17.319 1.00 0.00 O ATOM 1274 CB LEU A 113 -6.926 -0.576 -15.755 1.00 0.00 C ATOM 1275 CG LEU A 113 -7.680 0.616 -15.153 1.00 0.00 C ATOM 1276 CD1 LEU A 113 -8.699 0.113 -14.125 1.00 0.00 C ATOM 1277 CD2 LEU A 113 -6.685 1.553 -14.464 1.00 0.00 C ATOM 0 H LEU A 113 -4.688 -1.417 -17.632 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.368 -0.346 -17.854 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.561 -1.459 -15.682 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.041 -0.768 -15.148 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.199 1.153 -15.946 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.234 0.961 -13.698 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.409 -0.555 -14.613 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -8.180 -0.425 -13.332 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -7.220 2.401 -14.036 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.166 1.014 -13.672 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.959 1.913 -15.193 1.00 0.00 H new ATOM 1289 N THR A 114 -6.360 1.995 -17.502 1.00 0.00 N ATOM 1290 CA THR A 114 -5.686 3.284 -17.642 1.00 0.00 C ATOM 1291 C THR A 114 -6.318 4.322 -16.716 1.00 0.00 C ATOM 1292 O THR A 114 -7.537 4.370 -16.554 1.00 0.00 O ATOM 1293 CB THR A 114 -5.782 3.783 -19.087 1.00 0.00 C ATOM 1294 OG1 THR A 114 -5.318 2.767 -19.966 1.00 0.00 O ATOM 1295 CG2 THR A 114 -4.924 5.039 -19.258 1.00 0.00 C ATOM 0 H THR A 114 -7.379 2.042 -17.531 1.00 0.00 H new ATOM 0 HA THR A 114 -4.639 3.147 -17.372 1.00 0.00 H new ATOM 0 HB THR A 114 -6.819 4.023 -19.320 1.00 0.00 H new ATOM 0 HG1 THR A 114 -5.379 3.082 -20.892 1.00 0.00 H new ATOM 0 HG21 THR A 114 -4.995 5.391 -20.287 1.00 0.00 H new ATOM 0 HG22 THR A 114 -5.280 5.817 -18.583 1.00 0.00 H new ATOM 0 HG23 THR A 114 -3.885 4.804 -19.026 1.00 0.00 H new ATOM 1303 N LEU A 115 -5.471 5.152 -16.113 1.00 0.00 N ATOM 1304 CA LEU A 115 -5.946 6.188 -15.208 1.00 0.00 C ATOM 1305 C LEU A 115 -5.339 7.536 -15.594 1.00 0.00 C ATOM 1306 O LEU A 115 -4.138 7.640 -15.846 1.00 0.00 O ATOM 1307 CB LEU A 115 -5.560 5.847 -13.767 1.00 0.00 C ATOM 1308 CG LEU A 115 -6.640 6.159 -12.730 1.00 0.00 C ATOM 1309 CD1 LEU A 115 -7.478 4.905 -12.464 1.00 0.00 C ATOM 1310 CD2 LEU A 115 -5.985 6.619 -11.424 1.00 0.00 C ATOM 0 H LEU A 115 -4.459 5.126 -16.235 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.032 6.246 -15.283 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.316 4.786 -13.711 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.655 6.396 -13.507 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.283 6.952 -13.112 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -8.246 5.131 -11.725 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.951 4.580 -13.391 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.834 4.110 -12.087 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.758 6.840 -10.688 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.337 5.829 -11.044 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.393 7.515 -11.610 1.00 0.00 H new ATOM 1322 N THR A 116 -6.180 8.565 -15.644 1.00 0.00 N ATOM 1323 CA THR A 116 -5.709 9.897 -16.010 1.00 0.00 C ATOM 1324 C THR A 116 -5.723 10.831 -14.804 1.00 0.00 C ATOM 1325 O THR A 116 -6.597 10.744 -13.943 1.00 0.00 O ATOM 1326 CB THR A 116 -6.588 10.495 -17.109 1.00 0.00 C ATOM 1327 OG1 THR A 116 -7.001 9.465 -17.996 1.00 0.00 O ATOM 1328 CG2 THR A 116 -5.795 11.549 -17.880 1.00 0.00 C ATOM 0 H THR A 116 -7.177 8.505 -15.439 1.00 0.00 H new ATOM 0 HA THR A 116 -4.687 9.795 -16.374 1.00 0.00 H new ATOM 0 HB THR A 116 -7.466 10.961 -16.661 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.566 9.847 -18.700 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.422 11.975 -18.663 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.480 12.339 -17.198 1.00 0.00 H new ATOM 0 HG23 THR A 116 -4.916 11.086 -18.330 1.00 0.00 H new ATOM 1336 N LEU A 117 -4.744 11.731 -14.759 1.00 0.00 N ATOM 1337 CA LEU A 117 -4.646 12.691 -13.661 1.00 0.00 C ATOM 1338 C LEU A 117 -5.101 14.070 -14.129 1.00 0.00 C ATOM 1339 O LEU A 117 -4.546 14.632 -15.071 1.00 0.00 O ATOM 1340 CB LEU A 117 -3.201 12.786 -13.158 1.00 0.00 C ATOM 1341 CG LEU A 117 -3.054 13.050 -11.650 1.00 0.00 C ATOM 1342 CD1 LEU A 117 -1.955 12.156 -11.067 1.00 0.00 C ATOM 1343 CD2 LEU A 117 -2.693 14.524 -11.407 1.00 0.00 C ATOM 0 H LEU A 117 -4.012 11.816 -15.464 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.288 12.347 -12.850 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.686 11.857 -13.401 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.694 13.583 -13.702 1.00 0.00 H new ATOM 0 HG LEU A 117 -4.002 12.824 -11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.857 12.349 -9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.216 11.109 -11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.009 12.372 -11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.591 14.702 -10.336 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.751 14.755 -11.905 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.481 15.162 -11.807 1.00 0.00 H new ATOM 1355 N GLY A 118 -6.118 14.611 -13.463 1.00 0.00 N ATOM 1356 CA GLY A 118 -6.633 15.929 -13.832 1.00 0.00 C ATOM 1357 C GLY A 118 -6.651 16.869 -12.633 1.00 0.00 C ATOM 1358 O GLY A 118 -7.708 17.325 -12.200 1.00 0.00 O ATOM 0 H GLY A 118 -6.596 14.168 -12.678 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -6.015 16.355 -14.622 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -7.641 15.829 -14.234 1.00 0.00 H new ATOM 1362 N ASN A 119 -5.468 17.159 -12.108 1.00 0.00 N ATOM 1363 CA ASN A 119 -5.356 18.056 -10.959 1.00 0.00 C ATOM 1364 C ASN A 119 -5.455 19.510 -11.410 1.00 0.00 C ATOM 1365 O ASN A 119 -5.973 20.365 -10.690 1.00 0.00 O ATOM 1366 CB ASN A 119 -4.020 17.846 -10.236 1.00 0.00 C ATOM 1367 CG ASN A 119 -2.873 17.933 -11.238 1.00 0.00 C ATOM 1368 OD1 ASN A 119 -2.806 17.147 -12.184 1.00 0.00 O ATOM 1369 ND2 ASN A 119 -1.960 18.850 -11.089 1.00 0.00 N ATOM 0 H ASN A 119 -4.580 16.793 -12.452 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.174 17.829 -10.275 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.894 18.599 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.011 16.874 -9.743 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -1.191 18.917 -11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -2.014 19.501 -10.306 1.00 0.00 H new ATOM 1376 N ALA A 120 -4.952 19.775 -12.616 1.00 0.00 N ATOM 1377 CA ALA A 120 -4.981 21.128 -13.186 1.00 0.00 C ATOM 1378 C ALA A 120 -4.128 22.125 -12.382 1.00 0.00 C ATOM 1379 O ALA A 120 -4.178 23.327 -12.638 1.00 0.00 O ATOM 1380 CB ALA A 120 -6.421 21.650 -13.251 1.00 0.00 C ATOM 0 H ALA A 120 -4.520 19.074 -13.218 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.559 21.051 -14.188 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.425 22.654 -13.676 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -7.020 20.989 -13.877 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.843 21.679 -12.246 1.00 0.00 H new ATOM 1386 N ASP A 121 -3.345 21.627 -11.416 1.00 0.00 N ATOM 1387 CA ASP A 121 -2.483 22.481 -10.588 1.00 0.00 C ATOM 1388 C ASP A 121 -3.308 23.343 -9.634 1.00 0.00 C ATOM 1389 O ASP A 121 -3.163 23.257 -8.415 1.00 0.00 O ATOM 1390 CB ASP A 121 -1.593 23.380 -11.457 1.00 0.00 C ATOM 1391 CG ASP A 121 -0.587 24.115 -10.577 1.00 0.00 C ATOM 1392 OD1 ASP A 121 0.215 23.450 -9.943 1.00 0.00 O ATOM 1393 OD2 ASP A 121 -0.635 25.335 -10.549 1.00 0.00 O ATOM 0 H ASP A 121 -3.291 20.634 -11.188 1.00 0.00 H new ATOM 0 HA ASP A 121 -1.847 21.819 -10.000 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -1.069 22.779 -12.201 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -2.207 24.098 -12.002 1.00 0.00 H new ATOM 1398 N LYS A 122 -4.168 24.179 -10.200 1.00 0.00 N ATOM 1399 CA LYS A 122 -5.010 25.059 -9.393 1.00 0.00 C ATOM 1400 C LYS A 122 -6.396 24.451 -9.186 1.00 0.00 C ATOM 1401 O LYS A 122 -7.395 25.165 -9.096 1.00 0.00 O ATOM 1402 CB LYS A 122 -5.162 26.421 -10.074 1.00 0.00 C ATOM 1403 CG LYS A 122 -5.684 26.224 -11.499 1.00 0.00 C ATOM 1404 CD LYS A 122 -6.597 27.392 -11.876 1.00 0.00 C ATOM 1405 CE LYS A 122 -7.466 26.996 -13.071 1.00 0.00 C ATOM 1406 NZ LYS A 122 -6.785 27.399 -14.334 1.00 0.00 N ATOM 0 H LYS A 122 -4.302 24.268 -11.207 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.526 25.183 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.850 27.048 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.203 26.938 -10.095 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.850 26.161 -12.197 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.231 25.284 -11.570 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.227 27.663 -11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.999 28.270 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -7.641 25.920 -13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -8.441 27.478 -13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.375 27.130 -15.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.640 28.429 -14.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.865 26.919 -14.400 1.00 0.00 H new ATOM 1420 N GLY A 123 -6.446 23.123 -9.106 1.00 0.00 N ATOM 1421 CA GLY A 123 -7.715 22.430 -8.904 1.00 0.00 C ATOM 1422 C GLY A 123 -7.730 21.728 -7.552 1.00 0.00 C ATOM 1423 O GLY A 123 -7.731 22.370 -6.502 1.00 0.00 O ATOM 0 H GLY A 123 -5.632 22.512 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.538 23.142 -8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -7.869 21.702 -9.700 1.00 0.00 H new ATOM 1427 N SER A 124 -7.741 20.398 -7.589 1.00 0.00 N ATOM 1428 CA SER A 124 -7.753 19.614 -6.357 1.00 0.00 C ATOM 1429 C SER A 124 -7.555 18.130 -6.664 1.00 0.00 C ATOM 1430 O SER A 124 -8.122 17.265 -5.997 1.00 0.00 O ATOM 1431 CB SER A 124 -9.079 19.799 -5.618 1.00 0.00 C ATOM 1432 OG SER A 124 -8.849 19.729 -4.216 1.00 0.00 O ATOM 0 H SER A 124 -7.742 19.846 -8.447 1.00 0.00 H new ATOM 0 HA SER A 124 -6.935 19.965 -5.728 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.522 20.760 -5.878 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.788 19.028 -5.921 1.00 0.00 H new ATOM 0 HG SER A 124 -9.697 19.849 -3.739 1.00 0.00 H new ATOM 1438 N TYR A 125 -6.739 17.852 -7.680 1.00 0.00 N ATOM 1439 CA TYR A 125 -6.460 16.474 -8.078 1.00 0.00 C ATOM 1440 C TYR A 125 -7.730 15.768 -8.539 1.00 0.00 C ATOM 1441 O TYR A 125 -8.802 15.921 -7.956 1.00 0.00 O ATOM 1442 CB TYR A 125 -5.846 15.684 -6.922 1.00 0.00 C ATOM 1443 CG TYR A 125 -4.486 16.250 -6.590 1.00 0.00 C ATOM 1444 CD1 TYR A 125 -4.369 17.292 -5.661 1.00 0.00 C ATOM 1445 CD2 TYR A 125 -3.344 15.734 -7.211 1.00 0.00 C ATOM 1446 CE1 TYR A 125 -3.108 17.816 -5.355 1.00 0.00 C ATOM 1447 CE2 TYR A 125 -2.082 16.257 -6.904 1.00 0.00 C ATOM 1448 CZ TYR A 125 -1.964 17.299 -5.976 1.00 0.00 C ATOM 1449 OH TYR A 125 -0.721 17.816 -5.674 1.00 0.00 O ATOM 0 H TYR A 125 -6.262 18.559 -8.240 1.00 0.00 H new ATOM 0 HA TYR A 125 -5.751 16.516 -8.905 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -6.496 15.734 -6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.757 14.632 -7.193 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -5.251 17.690 -5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -3.436 14.931 -7.928 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -3.017 18.620 -4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -1.200 15.857 -7.383 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.036 17.344 -6.192 1.00 0.00 H new ATOM 1459 N THR A 126 -7.579 14.977 -9.592 1.00 0.00 N ATOM 1460 CA THR A 126 -8.696 14.217 -10.145 1.00 0.00 C ATOM 1461 C THR A 126 -8.158 12.971 -10.830 1.00 0.00 C ATOM 1462 O THR A 126 -7.035 12.960 -11.334 1.00 0.00 O ATOM 1463 CB THR A 126 -9.483 15.049 -11.157 1.00 0.00 C ATOM 1464 OG1 THR A 126 -9.491 16.409 -10.747 1.00 0.00 O ATOM 1465 CG2 THR A 126 -10.919 14.531 -11.238 1.00 0.00 C ATOM 0 H THR A 126 -6.694 14.843 -10.082 1.00 0.00 H new ATOM 0 HA THR A 126 -9.367 13.945 -9.330 1.00 0.00 H new ATOM 0 HB THR A 126 -9.013 14.968 -12.137 1.00 0.00 H new ATOM 0 HG1 THR A 126 -8.725 16.874 -11.143 1.00 0.00 H new ATOM 0 HG21 THR A 126 -11.480 15.125 -11.960 1.00 0.00 H new ATOM 0 HG22 THR A 126 -10.912 13.488 -11.553 1.00 0.00 H new ATOM 0 HG23 THR A 126 -11.390 14.611 -10.258 1.00 0.00 H new ATOM 1473 N TRP A 127 -8.954 11.911 -10.824 1.00 0.00 N ATOM 1474 CA TRP A 127 -8.520 10.651 -11.433 1.00 0.00 C ATOM 1475 C TRP A 127 -9.546 10.150 -12.445 1.00 0.00 C ATOM 1476 O TRP A 127 -10.615 9.664 -12.074 1.00 0.00 O ATOM 1477 CB TRP A 127 -8.318 9.544 -10.374 1.00 0.00 C ATOM 1478 CG TRP A 127 -7.927 10.122 -9.043 1.00 0.00 C ATOM 1479 CD1 TRP A 127 -6.980 11.067 -8.854 1.00 0.00 C ATOM 1480 CD2 TRP A 127 -8.465 9.812 -7.723 1.00 0.00 C ATOM 1481 NE1 TRP A 127 -6.898 11.355 -7.504 1.00 0.00 N ATOM 1482 CE2 TRP A 127 -7.793 10.607 -6.765 1.00 0.00 C ATOM 1483 CE3 TRP A 127 -9.458 8.926 -7.270 1.00 0.00 C ATOM 1484 CZ2 TRP A 127 -8.097 10.526 -5.405 1.00 0.00 C ATOM 1485 CZ3 TRP A 127 -9.766 8.842 -5.902 1.00 0.00 C ATOM 1486 CH2 TRP A 127 -9.086 9.641 -4.972 1.00 0.00 C ATOM 0 H TRP A 127 -9.888 11.891 -10.414 1.00 0.00 H new ATOM 0 HA TRP A 127 -7.572 10.860 -11.928 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -9.238 8.969 -10.266 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -7.547 8.851 -10.712 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -6.384 11.523 -9.631 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -6.255 12.037 -7.103 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -9.987 8.306 -7.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -7.571 11.144 -4.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.531 8.158 -5.565 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -9.327 9.572 -3.922 1.00 0.00 H new ATOM 1497 N ALA A 128 -9.200 10.241 -13.727 1.00 0.00 N ATOM 1498 CA ALA A 128 -10.097 9.756 -14.774 1.00 0.00 C ATOM 1499 C ALA A 128 -9.895 8.254 -14.942 1.00 0.00 C ATOM 1500 O ALA A 128 -8.884 7.807 -15.483 1.00 0.00 O ATOM 1501 CB ALA A 128 -9.818 10.460 -16.103 1.00 0.00 C ATOM 0 H ALA A 128 -8.322 10.638 -14.062 1.00 0.00 H new ATOM 0 HA ALA A 128 -11.125 9.970 -14.483 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -10.499 10.081 -16.865 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.967 11.533 -15.985 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.789 10.268 -16.408 1.00 0.00 H new ATOM 1507 N CYS A 129 -10.853 7.482 -14.443 1.00 0.00 N ATOM 1508 CA CYS A 129 -10.754 6.025 -14.512 1.00 0.00 C ATOM 1509 C CYS A 129 -11.137 5.494 -15.890 1.00 0.00 C ATOM 1510 O CYS A 129 -12.100 5.945 -16.510 1.00 0.00 O ATOM 1511 CB CYS A 129 -11.656 5.374 -13.456 1.00 0.00 C ATOM 1512 SG CYS A 129 -13.372 5.911 -13.691 1.00 0.00 S ATOM 0 H CYS A 129 -11.698 7.832 -13.991 1.00 0.00 H new ATOM 0 HA CYS A 129 -9.712 5.768 -14.320 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -11.592 4.288 -13.531 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -11.315 5.645 -12.457 1.00 0.00 H new ATOM 1517 N THR A 130 -10.365 4.510 -16.346 1.00 0.00 N ATOM 1518 CA THR A 130 -10.601 3.876 -17.638 1.00 0.00 C ATOM 1519 C THR A 130 -10.152 2.421 -17.565 1.00 0.00 C ATOM 1520 O THR A 130 -9.025 2.084 -17.930 1.00 0.00 O ATOM 1521 CB THR A 130 -9.822 4.593 -18.744 1.00 0.00 C ATOM 1522 OG1 THR A 130 -9.838 5.993 -18.501 1.00 0.00 O ATOM 1523 CG2 THR A 130 -10.469 4.302 -20.098 1.00 0.00 C ATOM 0 H THR A 130 -9.566 4.134 -15.835 1.00 0.00 H new ATOM 0 HA THR A 130 -11.664 3.933 -17.871 1.00 0.00 H new ATOM 0 HB THR A 130 -8.792 4.236 -18.752 1.00 0.00 H new ATOM 0 HG1 THR A 130 -9.338 6.453 -19.207 1.00 0.00 H new ATOM 0 HG21 THR A 130 -9.913 4.813 -20.884 1.00 0.00 H new ATOM 0 HG22 THR A 130 -10.456 3.228 -20.284 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.500 4.657 -20.093 1.00 0.00 H new ATOM 1531 N SER A 131 -11.038 1.569 -17.059 1.00 0.00 N ATOM 1532 CA SER A 131 -10.719 0.153 -16.902 1.00 0.00 C ATOM 1533 C SER A 131 -10.850 -0.606 -18.213 1.00 0.00 C ATOM 1534 O SER A 131 -11.748 -0.355 -19.018 1.00 0.00 O ATOM 1535 CB SER A 131 -11.648 -0.497 -15.878 1.00 0.00 C ATOM 1536 OG SER A 131 -10.962 -1.558 -15.228 1.00 0.00 O ATOM 0 H SER A 131 -11.975 1.831 -16.753 1.00 0.00 H new ATOM 0 HA SER A 131 -9.684 0.102 -16.563 1.00 0.00 H new ATOM 0 HB2 SER A 131 -11.975 0.242 -15.146 1.00 0.00 H new ATOM 0 HB3 SER A 131 -12.543 -0.876 -16.371 1.00 0.00 H new ATOM 0 HG SER A 131 -11.083 -1.480 -14.259 1.00 0.00 H new ATOM 1542 N ASN A 132 -9.948 -1.563 -18.394 1.00 0.00 N ATOM 1543 CA ASN A 132 -9.956 -2.402 -19.582 1.00 0.00 C ATOM 1544 C ASN A 132 -10.081 -3.859 -19.147 1.00 0.00 C ATOM 1545 O ASN A 132 -9.222 -4.701 -19.439 1.00 0.00 O ATOM 1546 CB ASN A 132 -8.675 -2.209 -20.396 1.00 0.00 C ATOM 1547 CG ASN A 132 -8.998 -2.267 -21.886 1.00 0.00 C ATOM 1548 OD1 ASN A 132 -9.313 -1.248 -22.500 1.00 0.00 O ATOM 1549 ND2 ASN A 132 -8.938 -3.411 -22.510 1.00 0.00 N ATOM 0 H ASN A 132 -9.202 -1.776 -17.732 1.00 0.00 H new ATOM 0 HA ASN A 132 -10.799 -2.123 -20.214 1.00 0.00 H new ATOM 0 HB2 ASN A 132 -8.218 -1.251 -20.150 1.00 0.00 H new ATOM 0 HB3 ASN A 132 -7.951 -2.983 -20.141 1.00 0.00 H new ATOM 0 HD21 ASN A 132 -9.152 -3.460 -23.506 1.00 0.00 H new ATOM 0 HD22 ASN A 132 -8.677 -4.256 -22.002 1.00 0.00 H new ATOM 1556 N ALA A 133 -11.162 -4.130 -18.420 1.00 0.00 N ATOM 1557 CA ALA A 133 -11.422 -5.472 -17.915 1.00 0.00 C ATOM 1558 C ALA A 133 -12.923 -5.698 -17.771 1.00 0.00 C ATOM 1559 O ALA A 133 -13.502 -5.465 -16.709 1.00 0.00 O ATOM 1560 CB ALA A 133 -10.758 -5.669 -16.551 1.00 0.00 C ATOM 0 H ALA A 133 -11.869 -3.439 -18.169 1.00 0.00 H new ATOM 0 HA ALA A 133 -11.009 -6.188 -18.626 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -10.963 -6.677 -16.189 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -9.681 -5.529 -16.647 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.157 -4.941 -15.844 1.00 0.00 H new ATOM 1566 N ASP A 134 -13.549 -6.151 -18.856 1.00 0.00 N ATOM 1567 CA ASP A 134 -14.988 -6.405 -18.850 1.00 0.00 C ATOM 1568 C ASP A 134 -15.754 -5.112 -18.586 1.00 0.00 C ATOM 1569 O ASP A 134 -15.997 -4.741 -17.438 1.00 0.00 O ATOM 1570 CB ASP A 134 -15.355 -7.435 -17.778 1.00 0.00 C ATOM 1571 CG ASP A 134 -15.298 -8.836 -18.376 1.00 0.00 C ATOM 1572 OD1 ASP A 134 -16.188 -9.169 -19.140 1.00 0.00 O ATOM 1573 OD2 ASP A 134 -14.364 -9.555 -18.062 1.00 0.00 O ATOM 0 H ASP A 134 -13.087 -6.348 -19.744 1.00 0.00 H new ATOM 0 HA ASP A 134 -15.262 -6.798 -19.829 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -14.667 -7.360 -16.936 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -16.354 -7.233 -17.392 1.00 0.00 H new ATOM 1704 N CYS A 142 -17.219 4.831 -14.643 1.00 0.00 N ATOM 1705 CA CYS A 142 -15.985 4.666 -15.406 1.00 0.00 C ATOM 1706 C CYS A 142 -16.293 4.199 -16.826 1.00 0.00 C ATOM 1707 O CYS A 142 -17.179 3.373 -17.045 1.00 0.00 O ATOM 1708 CB CYS A 142 -15.074 3.638 -14.733 1.00 0.00 C ATOM 1709 SG CYS A 142 -14.472 4.302 -13.160 1.00 0.00 S ATOM 0 HA CYS A 142 -15.481 5.632 -15.442 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -15.619 2.709 -14.563 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -14.233 3.400 -15.385 1.00 0.00 H new ATOM 1714 N GLN A 143 -15.548 4.738 -17.786 1.00 0.00 N ATOM 1715 CA GLN A 143 -15.743 4.369 -19.185 1.00 0.00 C ATOM 1716 C GLN A 143 -14.770 3.265 -19.584 1.00 0.00 C ATOM 1717 O GLN A 143 -13.798 2.991 -18.879 1.00 0.00 O ATOM 1718 CB GLN A 143 -15.522 5.580 -20.095 1.00 0.00 C ATOM 1719 CG GLN A 143 -16.436 6.725 -19.658 1.00 0.00 C ATOM 1720 CD GLN A 143 -16.026 8.006 -20.377 1.00 0.00 C ATOM 1721 OE1 GLN A 143 -15.539 7.962 -21.505 1.00 0.00 O ATOM 1722 NE2 GLN A 143 -16.198 9.155 -19.784 1.00 0.00 N ATOM 0 H GLN A 143 -14.811 5.425 -17.625 1.00 0.00 H new ATOM 0 HA GLN A 143 -16.766 4.012 -19.299 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -14.480 5.896 -20.050 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -15.729 5.311 -21.131 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -17.474 6.483 -19.887 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -16.371 6.864 -18.579 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -16.602 9.190 -18.848 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -15.928 10.018 -20.256 1.00 0.00 H new ATOM 1731 N THR A 144 -15.040 2.636 -20.723 1.00 0.00 N ATOM 1732 CA THR A 144 -14.181 1.560 -21.211 1.00 0.00 C ATOM 1733 C THR A 144 -13.196 2.097 -22.244 1.00 0.00 C ATOM 1734 O THR A 144 -13.584 2.745 -23.216 1.00 0.00 O ATOM 1735 CB THR A 144 -15.020 0.451 -21.849 1.00 0.00 C ATOM 1736 OG1 THR A 144 -16.043 0.056 -20.946 1.00 0.00 O ATOM 1737 CG2 THR A 144 -14.127 -0.750 -22.167 1.00 0.00 C ATOM 0 H THR A 144 -15.838 2.849 -21.321 1.00 0.00 H new ATOM 0 HA THR A 144 -13.633 1.153 -20.361 1.00 0.00 H new ATOM 0 HB THR A 144 -15.469 0.820 -22.771 1.00 0.00 H new ATOM 0 HG1 THR A 144 -16.583 -0.653 -21.353 1.00 0.00 H new ATOM 0 HG21 THR A 144 -14.726 -1.539 -22.621 1.00 0.00 H new ATOM 0 HG22 THR A 144 -13.342 -0.446 -22.859 1.00 0.00 H new ATOM 0 HG23 THR A 144 -13.676 -1.122 -21.247 1.00 0.00 H new ATOM 1745 N ALA A 145 -11.913 1.821 -22.023 1.00 0.00 N ATOM 1746 CA ALA A 145 -10.872 2.282 -22.940 1.00 0.00 C ATOM 1747 C ALA A 145 -11.098 1.713 -24.339 1.00 0.00 C ATOM 1748 O ALA A 145 -11.427 0.538 -24.502 1.00 0.00 O ATOM 1749 CB ALA A 145 -9.490 1.852 -22.441 1.00 0.00 C ATOM 0 H ALA A 145 -11.571 1.286 -21.225 1.00 0.00 H new ATOM 0 HA ALA A 145 -10.920 3.370 -22.982 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -8.727 2.203 -23.135 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -9.309 2.281 -21.456 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -9.449 0.765 -22.376 1.00 0.00 H new