USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 909 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 180:sc= 0 USER MOD Set 1.2: A 73 THR OG1 : rot -72:sc= -0.416 USER MOD Set 2.1: A 46 MET CE :methyl 177:sc= -7.01! (180deg=-7.26!) USER MOD Set 2.2: A 48 MET CE :methyl -128:sc= -1.33 (180deg=-5.52!) USER MOD Set 2.3: A 87 THR OG1 : rot 98:sc= -0.506 USER MOD Set 3.1: A 18 GLN : amide:sc= 0.717 K(o=0.98,f=-2.8!) USER MOD Set 3.2: A 21 THR OG1 : rot 92:sc= 0.262 USER MOD Single : A 12 THR OG1 : rot 160:sc= -0.667 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -1.85 K(o=-1.9,f=-0.45) USER MOD Single : A 36 ASN : amide:sc= -0.564 K(o=-0.56,f=-6.4!) USER MOD Single : A 44 GLN : amide:sc= -2.3 K(o=-2.3,f=-3.5!) USER MOD Single : A 47 MET CE :methyl -159:sc= -1.17 (180deg=-1.42) USER MOD Single : A 50 SER OG : rot 180:sc= -0.297 USER MOD Single : A 52 GLN : amide:sc=-0.00512 X(o=-0.0051,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -8.36! C(o=-8.4!,f=-9.2!) USER MOD Single : A 65 ASN : amide:sc= -2.12 K(o=-2.1,f=-3!) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc= -7.38! C(o=-7.4!,f=-7.9!) USER MOD Single : A 92 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-5.2!) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -3.81! C(o=-3.8!,f=-11!) USER MOD Single : A 117 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-3.9!) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.00036) USER MOD Single : A 128 THR OG1 : rot 160:sc= -1.3 USER MOD ----------------------------------------------------------------- ATOM 150 N ASP A 7 104.676 1.321 -16.938 1.00 0.00 N ATOM 151 CA ASP A 7 104.791 0.637 -15.610 1.00 0.00 C ATOM 152 C ASP A 7 106.161 0.912 -14.977 1.00 0.00 C ATOM 153 O ASP A 7 106.638 0.151 -14.157 1.00 0.00 O ATOM 154 CB ASP A 7 104.632 -0.854 -15.914 1.00 0.00 C ATOM 155 CG ASP A 7 103.246 -1.112 -16.507 1.00 0.00 C ATOM 156 OD1 ASP A 7 102.314 -0.439 -16.098 1.00 0.00 O ATOM 157 OD2 ASP A 7 103.139 -1.979 -17.358 1.00 0.00 O ATOM 0 HA ASP A 7 104.042 0.993 -14.903 1.00 0.00 H new ATOM 0 HB2 ASP A 7 105.404 -1.177 -16.613 1.00 0.00 H new ATOM 0 HB3 ASP A 7 104.763 -1.437 -15.003 1.00 0.00 H new ATOM 162 N ALA A 8 106.795 1.990 -15.354 1.00 0.00 N ATOM 163 CA ALA A 8 108.136 2.309 -14.779 1.00 0.00 C ATOM 164 C ALA A 8 108.230 3.793 -14.405 1.00 0.00 C ATOM 165 O ALA A 8 109.040 4.180 -13.586 1.00 0.00 O ATOM 166 CB ALA A 8 109.132 1.973 -15.889 1.00 0.00 C ATOM 0 H ALA A 8 106.443 2.664 -16.035 1.00 0.00 H new ATOM 0 HA ALA A 8 108.331 1.746 -13.866 1.00 0.00 H new ATOM 0 HB1 ALA A 8 110.145 2.181 -15.544 1.00 0.00 H new ATOM 0 HB2 ALA A 8 109.046 0.918 -16.148 1.00 0.00 H new ATOM 0 HB3 ALA A 8 108.916 2.581 -16.768 1.00 0.00 H new ATOM 172 N GLY A 9 107.412 4.629 -14.995 1.00 0.00 N ATOM 173 CA GLY A 9 107.463 6.085 -14.663 1.00 0.00 C ATOM 174 C GLY A 9 107.328 6.267 -13.149 1.00 0.00 C ATOM 175 O GLY A 9 107.894 7.174 -12.570 1.00 0.00 O ATOM 0 H GLY A 9 106.713 4.367 -15.690 1.00 0.00 H new ATOM 0 HA2 GLY A 9 108.402 6.515 -15.010 1.00 0.00 H new ATOM 0 HA3 GLY A 9 106.661 6.615 -15.177 1.00 0.00 H new ATOM 179 N LEU A 10 106.588 5.404 -12.505 1.00 0.00 N ATOM 180 CA LEU A 10 106.420 5.516 -11.026 1.00 0.00 C ATOM 181 C LEU A 10 107.778 5.377 -10.330 1.00 0.00 C ATOM 182 O LEU A 10 107.992 5.903 -9.255 1.00 0.00 O ATOM 183 CB LEU A 10 105.493 4.359 -10.638 1.00 0.00 C ATOM 184 CG LEU A 10 106.132 3.023 -11.031 1.00 0.00 C ATOM 185 CD1 LEU A 10 106.929 2.466 -9.848 1.00 0.00 C ATOM 186 CD2 LEU A 10 105.035 2.027 -11.419 1.00 0.00 C ATOM 0 H LEU A 10 106.092 4.626 -12.939 1.00 0.00 H new ATOM 0 HA LEU A 10 106.007 6.480 -10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 10 105.302 4.379 -9.565 1.00 0.00 H new ATOM 0 HB3 LEU A 10 104.530 4.471 -11.135 1.00 0.00 H new ATOM 0 HG LEU A 10 106.801 3.178 -11.878 1.00 0.00 H new ATOM 0 HD11 LEU A 10 107.382 1.516 -10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 10 107.711 3.173 -9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 10 106.262 2.312 -9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 10 105.489 1.076 -11.699 1.00 0.00 H new ATOM 0 HD22 LEU A 10 104.366 1.874 -10.572 1.00 0.00 H new ATOM 0 HD23 LEU A 10 104.468 2.421 -12.263 1.00 0.00 H new ATOM 198 N ALA A 11 108.695 4.673 -10.938 1.00 0.00 N ATOM 199 CA ALA A 11 110.040 4.497 -10.317 1.00 0.00 C ATOM 200 C ALA A 11 110.932 5.702 -10.633 1.00 0.00 C ATOM 201 O ALA A 11 111.530 6.290 -9.753 1.00 0.00 O ATOM 202 CB ALA A 11 110.607 3.229 -10.957 1.00 0.00 C ATOM 0 H ALA A 11 108.571 4.212 -11.839 1.00 0.00 H new ATOM 0 HA ALA A 11 109.986 4.418 -9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 11 111.599 3.029 -10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 11 109.950 2.387 -10.740 1.00 0.00 H new ATOM 0 HB3 ALA A 11 110.677 3.366 -12.036 1.00 0.00 H new ATOM 208 N THR A 12 111.024 6.071 -11.883 1.00 0.00 N ATOM 209 CA THR A 12 111.876 7.238 -12.258 1.00 0.00 C ATOM 210 C THR A 12 111.334 8.514 -11.610 1.00 0.00 C ATOM 211 O THR A 12 112.062 9.257 -10.980 1.00 0.00 O ATOM 212 CB THR A 12 111.789 7.329 -13.782 1.00 0.00 C ATOM 213 OG1 THR A 12 110.432 7.181 -14.189 1.00 0.00 O ATOM 214 CG2 THR A 12 112.644 6.223 -14.408 1.00 0.00 C ATOM 0 H THR A 12 110.546 5.615 -12.661 1.00 0.00 H new ATOM 0 HA THR A 12 112.906 7.121 -11.920 1.00 0.00 H new ATOM 0 HB THR A 12 112.159 8.299 -14.113 1.00 0.00 H new ATOM 0 HG1 THR A 12 110.319 7.548 -15.091 1.00 0.00 H new ATOM 0 HG21 THR A 12 112.583 6.287 -15.494 1.00 0.00 H new ATOM 0 HG22 THR A 12 113.681 6.344 -14.095 1.00 0.00 H new ATOM 0 HG23 THR A 12 112.277 5.250 -14.080 1.00 0.00 H new ATOM 222 N ALA A 13 110.061 8.771 -11.754 1.00 0.00 N ATOM 223 CA ALA A 13 109.472 9.998 -11.139 1.00 0.00 C ATOM 224 C ALA A 13 109.700 9.979 -9.625 1.00 0.00 C ATOM 225 O ALA A 13 110.018 10.984 -9.020 1.00 0.00 O ATOM 226 CB ALA A 13 107.979 9.928 -11.456 1.00 0.00 C ATOM 0 H ALA A 13 109.404 8.186 -12.270 1.00 0.00 H new ATOM 0 HA ALA A 13 109.923 10.913 -11.523 1.00 0.00 H new ATOM 0 HB1 ALA A 13 107.476 10.799 -11.035 1.00 0.00 H new ATOM 0 HB2 ALA A 13 107.837 9.914 -12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 13 107.557 9.021 -11.023 1.00 0.00 H new ATOM 232 N ALA A 14 109.545 8.835 -9.012 1.00 0.00 N ATOM 233 CA ALA A 14 109.757 8.740 -7.539 1.00 0.00 C ATOM 234 C ALA A 14 111.199 9.119 -7.191 1.00 0.00 C ATOM 235 O ALA A 14 111.458 9.774 -6.199 1.00 0.00 O ATOM 236 CB ALA A 14 109.489 7.275 -7.196 1.00 0.00 C ATOM 0 H ALA A 14 109.281 7.962 -9.469 1.00 0.00 H new ATOM 0 HA ALA A 14 109.107 9.414 -6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 14 109.624 7.121 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.467 7.018 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 14 110.184 6.640 -7.745 1.00 0.00 H new ATOM 242 N ALA A 15 112.140 8.714 -8.002 1.00 0.00 N ATOM 243 CA ALA A 15 113.569 9.050 -7.727 1.00 0.00 C ATOM 244 C ALA A 15 113.761 10.567 -7.715 1.00 0.00 C ATOM 245 O ALA A 15 114.583 11.093 -6.991 1.00 0.00 O ATOM 246 CB ALA A 15 114.356 8.421 -8.877 1.00 0.00 C ATOM 0 H ALA A 15 111.981 8.163 -8.846 1.00 0.00 H new ATOM 0 HA ALA A 15 113.900 8.678 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.419 8.625 -8.745 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.192 7.343 -8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 15 114.019 8.845 -9.823 1.00 0.00 H new ATOM 252 N ARG A 16 113.005 11.274 -8.513 1.00 0.00 N ATOM 253 CA ARG A 16 113.140 12.759 -8.550 1.00 0.00 C ATOM 254 C ARG A 16 112.187 13.411 -7.542 1.00 0.00 C ATOM 255 O ARG A 16 111.933 14.598 -7.595 1.00 0.00 O ATOM 256 CB ARG A 16 112.762 13.152 -9.978 1.00 0.00 C ATOM 257 CG ARG A 16 113.902 12.780 -10.926 1.00 0.00 C ATOM 258 CD ARG A 16 114.993 13.852 -10.861 1.00 0.00 C ATOM 259 NE ARG A 16 116.261 13.097 -10.659 1.00 0.00 N ATOM 260 CZ ARG A 16 116.930 13.230 -9.548 1.00 0.00 C ATOM 261 NH1 ARG A 16 117.383 14.402 -9.195 1.00 0.00 N ATOM 262 NH2 ARG A 16 117.149 12.192 -8.788 1.00 0.00 N ATOM 0 H ARG A 16 112.300 10.887 -9.140 1.00 0.00 H new ATOM 0 HA ARG A 16 114.145 13.087 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 16 111.845 12.643 -10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 16 112.564 14.223 -10.032 1.00 0.00 H new ATOM 0 HG2 ARG A 16 114.315 11.809 -10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 16 113.526 12.690 -11.945 1.00 0.00 H new ATOM 0 HD2 ARG A 16 115.025 14.439 -11.779 1.00 0.00 H new ATOM 0 HD3 ARG A 16 114.814 14.549 -10.042 1.00 0.00 H new ATOM 0 HE ARG A 16 116.606 12.475 -11.390 1.00 0.00 H new ATOM 0 HH11 ARG A 16 117.214 15.214 -9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 16 117.906 14.506 -8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 16 116.797 11.275 -9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 16 117.673 12.298 -7.919 1.00 0.00 H new ATOM 276 N GLY A 17 111.660 12.645 -6.621 1.00 0.00 N ATOM 277 CA GLY A 17 110.728 13.222 -5.611 1.00 0.00 C ATOM 278 C GLY A 17 109.508 13.820 -6.315 1.00 0.00 C ATOM 279 O GLY A 17 109.162 14.966 -6.107 1.00 0.00 O ATOM 0 H GLY A 17 111.836 11.645 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 17 110.413 12.449 -4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 17 111.237 13.991 -5.030 1.00 0.00 H new ATOM 283 N GLN A 18 108.855 13.054 -7.147 1.00 0.00 N ATOM 284 CA GLN A 18 107.657 13.582 -7.863 1.00 0.00 C ATOM 285 C GLN A 18 106.414 12.755 -7.514 1.00 0.00 C ATOM 286 O GLN A 18 105.916 12.000 -8.327 1.00 0.00 O ATOM 287 CB GLN A 18 107.988 13.440 -9.351 1.00 0.00 C ATOM 288 CG GLN A 18 108.884 14.600 -9.796 1.00 0.00 C ATOM 289 CD GLN A 18 108.043 15.650 -10.528 1.00 0.00 C ATOM 290 OE1 GLN A 18 106.836 15.681 -10.391 1.00 0.00 O ATOM 291 NE2 GLN A 18 108.635 16.517 -11.303 1.00 0.00 N ATOM 0 H GLN A 18 109.098 12.087 -7.362 1.00 0.00 H new ATOM 0 HA GLN A 18 107.439 14.614 -7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 18 108.491 12.490 -9.532 1.00 0.00 H new ATOM 0 HB3 GLN A 18 107.070 13.432 -9.938 1.00 0.00 H new ATOM 0 HG2 GLN A 18 109.371 15.049 -8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 18 109.674 14.232 -10.451 1.00 0.00 H new ATOM 0 HE21 GLN A 18 109.648 16.490 -11.418 1.00 0.00 H new ATOM 0 HE22 GLN A 18 108.085 17.221 -11.794 1.00 0.00 H new ATOM 300 N VAL A 19 105.901 12.892 -6.316 1.00 0.00 N ATOM 301 CA VAL A 19 104.684 12.111 -5.939 1.00 0.00 C ATOM 302 C VAL A 19 103.556 12.414 -6.928 1.00 0.00 C ATOM 303 O VAL A 19 102.768 11.556 -7.272 1.00 0.00 O ATOM 304 CB VAL A 19 104.299 12.590 -4.537 1.00 0.00 C ATOM 305 CG1 VAL A 19 103.059 11.826 -4.055 1.00 0.00 C ATOM 306 CG2 VAL A 19 105.458 12.340 -3.571 1.00 0.00 C ATOM 0 H VAL A 19 106.269 13.506 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 19 104.865 11.036 -5.957 1.00 0.00 H new ATOM 0 HB VAL A 19 104.079 13.657 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.786 12.168 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.231 12.008 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 19 103.278 10.759 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 19 105.181 12.682 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 19 105.682 11.274 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 19 106.338 12.886 -3.910 1.00 0.00 H new ATOM 316 N GLU A 20 103.481 13.637 -7.388 1.00 0.00 N ATOM 317 CA GLU A 20 102.412 14.014 -8.359 1.00 0.00 C ATOM 318 C GLU A 20 102.527 13.157 -9.623 1.00 0.00 C ATOM 319 O GLU A 20 101.584 12.507 -10.031 1.00 0.00 O ATOM 320 CB GLU A 20 102.672 15.492 -8.676 1.00 0.00 C ATOM 321 CG GLU A 20 101.789 15.937 -9.846 1.00 0.00 C ATOM 322 CD GLU A 20 102.015 17.425 -10.121 1.00 0.00 C ATOM 323 OE1 GLU A 20 101.595 18.228 -9.304 1.00 0.00 O ATOM 324 OE2 GLU A 20 102.603 17.736 -11.143 1.00 0.00 O ATOM 0 H GLU A 20 104.117 14.392 -7.131 1.00 0.00 H new ATOM 0 HA GLU A 20 101.410 13.856 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 20 102.463 16.103 -7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 20 103.723 15.640 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 20 102.024 15.352 -10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.740 15.755 -9.613 1.00 0.00 H new ATOM 331 N THR A 21 103.676 13.153 -10.243 1.00 0.00 N ATOM 332 CA THR A 21 103.857 12.339 -11.483 1.00 0.00 C ATOM 333 C THR A 21 103.534 10.868 -11.200 1.00 0.00 C ATOM 334 O THR A 21 102.952 10.180 -12.019 1.00 0.00 O ATOM 335 CB THR A 21 105.335 12.504 -11.850 1.00 0.00 C ATOM 336 OG1 THR A 21 105.628 13.885 -12.014 1.00 0.00 O ATOM 337 CG2 THR A 21 105.627 11.760 -13.153 1.00 0.00 C ATOM 0 H THR A 21 104.498 13.678 -9.946 1.00 0.00 H new ATOM 0 HA THR A 21 103.198 12.659 -12.290 1.00 0.00 H new ATOM 0 HB THR A 21 105.955 12.092 -11.054 1.00 0.00 H new ATOM 0 HG1 THR A 21 105.944 14.256 -11.164 1.00 0.00 H new ATOM 0 HG21 THR A 21 106.679 11.879 -13.412 1.00 0.00 H new ATOM 0 HG22 THR A 21 105.402 10.701 -13.026 1.00 0.00 H new ATOM 0 HG23 THR A 21 105.008 12.169 -13.952 1.00 0.00 H new ATOM 345 N VAL A 22 103.907 10.384 -10.046 1.00 0.00 N ATOM 346 CA VAL A 22 103.627 8.960 -9.704 1.00 0.00 C ATOM 347 C VAL A 22 102.173 8.794 -9.248 1.00 0.00 C ATOM 348 O VAL A 22 101.619 7.713 -9.299 1.00 0.00 O ATOM 349 CB VAL A 22 104.590 8.627 -8.560 1.00 0.00 C ATOM 350 CG1 VAL A 22 104.420 7.160 -8.155 1.00 0.00 C ATOM 351 CG2 VAL A 22 106.032 8.866 -9.020 1.00 0.00 C ATOM 0 H VAL A 22 104.395 10.915 -9.324 1.00 0.00 H new ATOM 0 HA VAL A 22 103.766 8.299 -10.560 1.00 0.00 H new ATOM 0 HB VAL A 22 104.370 9.266 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 22 105.106 6.925 -7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 22 103.395 6.990 -7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 22 104.638 6.519 -9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 22 106.717 8.629 -8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 22 106.251 8.228 -9.876 1.00 0.00 H new ATOM 0 HG23 VAL A 22 106.155 9.911 -9.305 1.00 0.00 H new ATOM 361 N ARG A 23 101.551 9.852 -8.800 1.00 0.00 N ATOM 362 CA ARG A 23 100.133 9.749 -8.341 1.00 0.00 C ATOM 363 C ARG A 23 99.225 9.333 -9.501 1.00 0.00 C ATOM 364 O ARG A 23 98.379 8.470 -9.362 1.00 0.00 O ATOM 365 CB ARG A 23 99.765 11.155 -7.852 1.00 0.00 C ATOM 366 CG ARG A 23 99.129 11.070 -6.460 1.00 0.00 C ATOM 367 CD ARG A 23 100.139 10.484 -5.467 1.00 0.00 C ATOM 368 NE ARG A 23 100.003 11.319 -4.240 1.00 0.00 N ATOM 369 CZ ARG A 23 100.228 10.794 -3.064 1.00 0.00 C ATOM 370 NH1 ARG A 23 101.203 9.940 -2.906 1.00 0.00 N ATOM 371 NH2 ARG A 23 99.481 11.127 -2.047 1.00 0.00 N ATOM 0 H ARG A 23 101.962 10.783 -8.732 1.00 0.00 H new ATOM 0 HA ARG A 23 100.011 9.000 -7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 23 100.655 11.783 -7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 23 99.072 11.623 -8.551 1.00 0.00 H new ATOM 0 HG2 ARG A 23 98.814 12.061 -6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 23 98.235 10.447 -6.495 1.00 0.00 H new ATOM 0 HD2 ARG A 23 99.924 9.436 -5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 23 101.153 10.528 -5.864 1.00 0.00 H new ATOM 0 HE ARG A 23 99.734 12.300 -4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 23 101.789 9.682 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 23 101.379 9.530 -1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 23 98.722 11.797 -2.170 1.00 0.00 H new ATOM 0 HH22 ARG A 23 99.657 10.717 -1.130 1.00 0.00 H new ATOM 385 N GLN A 24 99.389 9.949 -10.640 1.00 0.00 N ATOM 386 CA GLN A 24 98.528 9.607 -11.811 1.00 0.00 C ATOM 387 C GLN A 24 98.959 8.285 -12.455 1.00 0.00 C ATOM 388 O GLN A 24 98.149 7.411 -12.687 1.00 0.00 O ATOM 389 CB GLN A 24 98.724 10.764 -12.791 1.00 0.00 C ATOM 390 CG GLN A 24 97.818 10.563 -14.007 1.00 0.00 C ATOM 391 CD GLN A 24 98.144 11.618 -15.065 1.00 0.00 C ATOM 392 OE1 GLN A 24 97.581 12.695 -15.060 1.00 0.00 O ATOM 393 NE2 GLN A 24 99.038 11.354 -15.979 1.00 0.00 N ATOM 0 H GLN A 24 100.083 10.676 -10.812 1.00 0.00 H new ATOM 0 HA GLN A 24 97.486 9.477 -11.518 1.00 0.00 H new ATOM 0 HB2 GLN A 24 98.491 11.711 -12.303 1.00 0.00 H new ATOM 0 HB3 GLN A 24 99.766 10.815 -13.106 1.00 0.00 H new ATOM 0 HG2 GLN A 24 97.960 9.564 -14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 24 96.772 10.640 -13.711 1.00 0.00 H new ATOM 0 HE21 GLN A 24 99.511 10.450 -15.984 1.00 0.00 H new ATOM 0 HE22 GLN A 24 99.264 12.051 -16.688 1.00 0.00 H new ATOM 402 N LEU A 25 100.221 8.137 -12.766 1.00 0.00 N ATOM 403 CA LEU A 25 100.687 6.874 -13.420 1.00 0.00 C ATOM 404 C LEU A 25 100.217 5.638 -12.640 1.00 0.00 C ATOM 405 O LEU A 25 99.491 4.811 -13.156 1.00 0.00 O ATOM 406 CB LEU A 25 102.218 6.958 -13.420 1.00 0.00 C ATOM 407 CG LEU A 25 102.724 7.249 -14.839 1.00 0.00 C ATOM 408 CD1 LEU A 25 104.251 7.354 -14.823 1.00 0.00 C ATOM 409 CD2 LEU A 25 102.306 6.114 -15.779 1.00 0.00 C ATOM 0 H LEU A 25 100.948 8.832 -12.597 1.00 0.00 H new ATOM 0 HA LEU A 25 100.281 6.774 -14.427 1.00 0.00 H new ATOM 0 HB2 LEU A 25 102.548 7.742 -12.739 1.00 0.00 H new ATOM 0 HB3 LEU A 25 102.642 6.022 -13.058 1.00 0.00 H new ATOM 0 HG LEU A 25 102.294 8.187 -15.189 1.00 0.00 H new ATOM 0 HD11 LEU A 25 104.612 7.561 -15.830 1.00 0.00 H new ATOM 0 HD12 LEU A 25 104.553 8.162 -14.156 1.00 0.00 H new ATOM 0 HD13 LEU A 25 104.677 6.414 -14.471 1.00 0.00 H new ATOM 0 HD21 LEU A 25 102.667 6.324 -16.786 1.00 0.00 H new ATOM 0 HD22 LEU A 25 102.734 5.175 -15.428 1.00 0.00 H new ATOM 0 HD23 LEU A 25 101.219 6.034 -15.793 1.00 0.00 H new ATOM 421 N LEU A 26 100.640 5.494 -11.411 1.00 0.00 N ATOM 422 CA LEU A 26 100.232 4.296 -10.610 1.00 0.00 C ATOM 423 C LEU A 26 98.709 4.133 -10.586 1.00 0.00 C ATOM 424 O LEU A 26 98.195 3.050 -10.788 1.00 0.00 O ATOM 425 CB LEU A 26 100.763 4.556 -9.200 1.00 0.00 C ATOM 426 CG LEU A 26 101.982 3.670 -8.946 1.00 0.00 C ATOM 427 CD1 LEU A 26 102.749 4.194 -7.732 1.00 0.00 C ATOM 428 CD2 LEU A 26 101.521 2.236 -8.675 1.00 0.00 C ATOM 0 H LEU A 26 101.250 6.152 -10.926 1.00 0.00 H new ATOM 0 HA LEU A 26 100.631 3.377 -11.039 1.00 0.00 H new ATOM 0 HB2 LEU A 26 101.033 5.606 -9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 26 99.988 4.347 -8.463 1.00 0.00 H new ATOM 0 HG LEU A 26 102.631 3.686 -9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 26 103.619 3.562 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 26 103.076 5.216 -7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 26 102.100 4.178 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 26 102.389 1.603 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 26 100.872 2.222 -7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 26 100.972 1.861 -9.539 1.00 0.00 H new ATOM 440 N GLU A 27 97.981 5.188 -10.333 1.00 0.00 N ATOM 441 CA GLU A 27 96.494 5.065 -10.291 1.00 0.00 C ATOM 442 C GLU A 27 95.898 5.106 -11.709 1.00 0.00 C ATOM 443 O GLU A 27 94.698 5.193 -11.879 1.00 0.00 O ATOM 444 CB GLU A 27 96.018 6.258 -9.450 1.00 0.00 C ATOM 445 CG GLU A 27 95.967 7.525 -10.308 1.00 0.00 C ATOM 446 CD GLU A 27 95.616 8.726 -9.428 1.00 0.00 C ATOM 447 OE1 GLU A 27 96.052 8.749 -8.289 1.00 0.00 O ATOM 448 OE2 GLU A 27 94.915 9.603 -9.907 1.00 0.00 O ATOM 0 H GLU A 27 98.348 6.123 -10.155 1.00 0.00 H new ATOM 0 HA GLU A 27 96.174 4.116 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 27 95.031 6.050 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.691 6.409 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 27 96.929 7.686 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 27 95.225 7.411 -11.099 1.00 0.00 H new ATOM 455 N ALA A 28 96.724 5.048 -12.725 1.00 0.00 N ATOM 456 CA ALA A 28 96.193 5.087 -14.120 1.00 0.00 C ATOM 457 C ALA A 28 96.461 3.761 -14.838 1.00 0.00 C ATOM 458 O ALA A 28 95.699 3.346 -15.690 1.00 0.00 O ATOM 459 CB ALA A 28 96.951 6.226 -14.799 1.00 0.00 C ATOM 0 H ALA A 28 97.738 4.976 -12.648 1.00 0.00 H new ATOM 0 HA ALA A 28 95.114 5.241 -14.142 1.00 0.00 H new ATOM 0 HB1 ALA A 28 96.617 6.320 -15.832 1.00 0.00 H new ATOM 0 HB2 ALA A 28 96.758 7.159 -14.269 1.00 0.00 H new ATOM 0 HB3 ALA A 28 98.020 6.013 -14.781 1.00 0.00 H new ATOM 465 N GLY A 29 97.537 3.093 -14.508 1.00 0.00 N ATOM 466 CA GLY A 29 97.843 1.805 -15.178 1.00 0.00 C ATOM 467 C GLY A 29 99.213 1.278 -14.734 1.00 0.00 C ATOM 468 O GLY A 29 99.454 0.087 -14.743 1.00 0.00 O ATOM 0 H GLY A 29 98.213 3.388 -13.803 1.00 0.00 H new ATOM 0 HA2 GLY A 29 97.071 1.073 -14.940 1.00 0.00 H new ATOM 0 HA3 GLY A 29 97.832 1.940 -16.260 1.00 0.00 H new ATOM 472 N ALA A 30 100.116 2.149 -14.357 1.00 0.00 N ATOM 473 CA ALA A 30 101.476 1.688 -13.923 1.00 0.00 C ATOM 474 C ALA A 30 101.364 0.539 -12.915 1.00 0.00 C ATOM 475 O ALA A 30 100.654 0.628 -11.933 1.00 0.00 O ATOM 476 CB ALA A 30 102.125 2.911 -13.269 1.00 0.00 C ATOM 0 H ALA A 30 99.973 3.159 -14.330 1.00 0.00 H new ATOM 0 HA ALA A 30 102.062 1.312 -14.762 1.00 0.00 H new ATOM 0 HB1 ALA A 30 103.126 2.651 -12.925 1.00 0.00 H new ATOM 0 HB2 ALA A 30 102.190 3.721 -13.996 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.522 3.233 -12.420 1.00 0.00 H new ATOM 482 N ASP A 31 102.058 -0.542 -13.158 1.00 0.00 N ATOM 483 CA ASP A 31 101.992 -1.703 -12.221 1.00 0.00 C ATOM 484 C ASP A 31 102.781 -1.399 -10.940 1.00 0.00 C ATOM 485 O ASP A 31 103.792 -0.726 -10.982 1.00 0.00 O ATOM 486 CB ASP A 31 102.628 -2.868 -12.985 1.00 0.00 C ATOM 487 CG ASP A 31 101.767 -4.122 -12.816 1.00 0.00 C ATOM 488 OD1 ASP A 31 100.594 -4.061 -13.143 1.00 0.00 O ATOM 489 OD2 ASP A 31 102.299 -5.123 -12.365 1.00 0.00 O ATOM 0 H ASP A 31 102.668 -0.671 -13.965 1.00 0.00 H new ATOM 0 HA ASP A 31 100.970 -1.928 -11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 31 102.719 -2.617 -14.042 1.00 0.00 H new ATOM 0 HB3 ASP A 31 103.636 -3.053 -12.613 1.00 0.00 H new ATOM 494 N PRO A 32 102.289 -1.906 -9.836 1.00 0.00 N ATOM 495 CA PRO A 32 102.957 -1.680 -8.532 1.00 0.00 C ATOM 496 C PRO A 32 104.193 -2.577 -8.391 1.00 0.00 C ATOM 497 O PRO A 32 105.119 -2.261 -7.668 1.00 0.00 O ATOM 498 CB PRO A 32 101.892 -2.071 -7.514 1.00 0.00 C ATOM 499 CG PRO A 32 100.993 -3.031 -8.228 1.00 0.00 C ATOM 500 CD PRO A 32 101.076 -2.723 -9.701 1.00 0.00 C ATOM 0 HA PRO A 32 103.311 -0.656 -8.409 1.00 0.00 H new ATOM 0 HB2 PRO A 32 102.340 -2.533 -6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 32 101.339 -1.197 -7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 32 101.299 -4.059 -8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 32 99.967 -2.931 -7.873 1.00 0.00 H new ATOM 0 HD2 PRO A 32 101.143 -3.635 -10.294 1.00 0.00 H new ATOM 0 HD3 PRO A 32 100.193 -2.183 -10.044 1.00 0.00 H new ATOM 508 N ASN A 33 104.211 -3.694 -9.069 1.00 0.00 N ATOM 509 CA ASN A 33 105.383 -4.614 -8.967 1.00 0.00 C ATOM 510 C ASN A 33 106.112 -4.701 -10.311 1.00 0.00 C ATOM 511 O ASN A 33 106.668 -5.723 -10.660 1.00 0.00 O ATOM 512 CB ASN A 33 104.785 -5.970 -8.596 1.00 0.00 C ATOM 513 CG ASN A 33 104.151 -5.888 -7.206 1.00 0.00 C ATOM 514 OD1 ASN A 33 102.944 -5.872 -7.078 1.00 0.00 O ATOM 515 ND2 ASN A 33 104.919 -5.832 -6.154 1.00 0.00 N ATOM 0 H ASN A 33 103.465 -4.010 -9.689 1.00 0.00 H new ATOM 0 HA ASN A 33 106.113 -4.272 -8.234 1.00 0.00 H new ATOM 0 HB2 ASN A 33 104.036 -6.262 -9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 33 105.560 -6.736 -8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 33 104.506 -5.775 -5.223 1.00 0.00 H new ATOM 0 HD22 ASN A 33 105.933 -5.845 -6.262 1.00 0.00 H new ATOM 522 N ALA A 34 106.113 -3.636 -11.065 1.00 0.00 N ATOM 523 CA ALA A 34 106.804 -3.655 -12.388 1.00 0.00 C ATOM 524 C ALA A 34 108.266 -3.223 -12.230 1.00 0.00 C ATOM 525 O ALA A 34 108.575 -2.049 -12.201 1.00 0.00 O ATOM 526 CB ALA A 34 106.036 -2.649 -13.247 1.00 0.00 C ATOM 0 H ALA A 34 105.665 -2.752 -10.823 1.00 0.00 H new ATOM 0 HA ALA A 34 106.816 -4.649 -12.835 1.00 0.00 H new ATOM 0 HB1 ALA A 34 106.483 -2.603 -14.240 1.00 0.00 H new ATOM 0 HB2 ALA A 34 104.995 -2.962 -13.331 1.00 0.00 H new ATOM 0 HB3 ALA A 34 106.082 -1.664 -12.782 1.00 0.00 H new ATOM 532 N LEU A 35 109.167 -4.166 -12.129 1.00 0.00 N ATOM 533 CA LEU A 35 110.608 -3.808 -11.974 1.00 0.00 C ATOM 534 C LEU A 35 111.157 -3.244 -13.295 1.00 0.00 C ATOM 535 O LEU A 35 110.608 -3.476 -14.354 1.00 0.00 O ATOM 536 CB LEU A 35 111.298 -5.121 -11.524 1.00 0.00 C ATOM 537 CG LEU A 35 111.933 -5.911 -12.690 1.00 0.00 C ATOM 538 CD1 LEU A 35 110.951 -6.064 -13.857 1.00 0.00 C ATOM 539 CD2 LEU A 35 113.202 -5.200 -13.169 1.00 0.00 C ATOM 0 H LEU A 35 108.968 -5.166 -12.147 1.00 0.00 H new ATOM 0 HA LEU A 35 110.786 -3.022 -11.240 1.00 0.00 H new ATOM 0 HB2 LEU A 35 112.070 -4.885 -10.792 1.00 0.00 H new ATOM 0 HB3 LEU A 35 110.566 -5.754 -11.022 1.00 0.00 H new ATOM 0 HG LEU A 35 112.187 -6.907 -12.327 1.00 0.00 H new ATOM 0 HD11 LEU A 35 111.427 -6.624 -14.662 1.00 0.00 H new ATOM 0 HD12 LEU A 35 110.064 -6.599 -13.518 1.00 0.00 H new ATOM 0 HD13 LEU A 35 110.663 -5.078 -14.222 1.00 0.00 H new ATOM 0 HD21 LEU A 35 113.645 -5.762 -13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 35 112.950 -4.196 -13.510 1.00 0.00 H new ATOM 0 HD23 LEU A 35 113.915 -5.136 -12.347 1.00 0.00 H new ATOM 551 N ASN A 36 112.222 -2.485 -13.237 1.00 0.00 N ATOM 552 CA ASN A 36 112.785 -1.890 -14.490 1.00 0.00 C ATOM 553 C ASN A 36 114.158 -2.488 -14.812 1.00 0.00 C ATOM 554 O ASN A 36 114.714 -3.244 -14.044 1.00 0.00 O ATOM 555 CB ASN A 36 112.907 -0.392 -14.198 1.00 0.00 C ATOM 556 CG ASN A 36 113.833 -0.168 -12.999 1.00 0.00 C ATOM 557 OD1 ASN A 36 114.406 -1.102 -12.473 1.00 0.00 O ATOM 558 ND2 ASN A 36 114.004 1.043 -12.541 1.00 0.00 N ATOM 0 H ASN A 36 112.725 -2.252 -12.381 1.00 0.00 H new ATOM 0 HA ASN A 36 112.151 -2.091 -15.354 1.00 0.00 H new ATOM 0 HB2 ASN A 36 113.299 0.127 -15.073 1.00 0.00 H new ATOM 0 HB3 ASN A 36 111.923 0.028 -13.992 1.00 0.00 H new ATOM 0 HD21 ASN A 36 114.618 1.204 -11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 36 113.524 1.827 -12.982 1.00 0.00 H new ATOM 565 N ARG A 37 114.708 -2.146 -15.949 1.00 0.00 N ATOM 566 CA ARG A 37 116.047 -2.687 -16.337 1.00 0.00 C ATOM 567 C ARG A 37 117.053 -2.511 -15.192 1.00 0.00 C ATOM 568 O ARG A 37 117.994 -3.270 -15.060 1.00 0.00 O ATOM 569 CB ARG A 37 116.464 -1.866 -17.560 1.00 0.00 C ATOM 570 CG ARG A 37 115.457 -2.095 -18.694 1.00 0.00 C ATOM 571 CD ARG A 37 116.201 -2.399 -19.999 1.00 0.00 C ATOM 572 NE ARG A 37 116.433 -1.072 -20.640 1.00 0.00 N ATOM 573 CZ ARG A 37 115.426 -0.360 -21.079 1.00 0.00 C ATOM 574 NH1 ARG A 37 114.383 -0.946 -21.602 1.00 0.00 N ATOM 575 NH2 ARG A 37 115.467 0.942 -20.998 1.00 0.00 N ATOM 0 H ARG A 37 114.286 -1.513 -16.628 1.00 0.00 H new ATOM 0 HA ARG A 37 116.013 -3.754 -16.555 1.00 0.00 H new ATOM 0 HB2 ARG A 37 116.506 -0.807 -17.304 1.00 0.00 H new ATOM 0 HB3 ARG A 37 117.464 -2.156 -17.883 1.00 0.00 H new ATOM 0 HG2 ARG A 37 114.794 -2.923 -18.442 1.00 0.00 H new ATOM 0 HG3 ARG A 37 114.831 -1.212 -18.820 1.00 0.00 H new ATOM 0 HD2 ARG A 37 117.143 -2.911 -19.804 1.00 0.00 H new ATOM 0 HD3 ARG A 37 115.612 -3.050 -20.645 1.00 0.00 H new ATOM 0 HE ARG A 37 117.384 -0.717 -20.737 1.00 0.00 H new ATOM 0 HH11 ARG A 37 114.350 -1.963 -21.670 1.00 0.00 H new ATOM 0 HH12 ARG A 37 113.601 -0.387 -21.943 1.00 0.00 H new ATOM 0 HH21 ARG A 37 116.282 1.402 -20.593 1.00 0.00 H new ATOM 0 HH22 ARG A 37 114.684 1.499 -21.339 1.00 0.00 H new ATOM 589 N PHE A 38 116.851 -1.528 -14.354 1.00 0.00 N ATOM 590 CA PHE A 38 117.788 -1.319 -13.209 1.00 0.00 C ATOM 591 C PHE A 38 117.562 -2.402 -12.145 1.00 0.00 C ATOM 592 O PHE A 38 118.349 -2.561 -11.233 1.00 0.00 O ATOM 593 CB PHE A 38 117.436 0.065 -12.649 1.00 0.00 C ATOM 594 CG PHE A 38 118.683 0.915 -12.576 1.00 0.00 C ATOM 595 CD1 PHE A 38 119.323 1.322 -13.753 1.00 0.00 C ATOM 596 CD2 PHE A 38 119.199 1.296 -11.332 1.00 0.00 C ATOM 597 CE1 PHE A 38 120.478 2.110 -13.685 1.00 0.00 C ATOM 598 CE2 PHE A 38 120.354 2.084 -11.264 1.00 0.00 C ATOM 599 CZ PHE A 38 120.995 2.491 -12.441 1.00 0.00 C ATOM 0 H PHE A 38 116.080 -0.862 -14.412 1.00 0.00 H new ATOM 0 HA PHE A 38 118.833 -1.378 -13.513 1.00 0.00 H new ATOM 0 HB2 PHE A 38 116.692 0.547 -13.284 1.00 0.00 H new ATOM 0 HB3 PHE A 38 116.993 -0.035 -11.658 1.00 0.00 H new ATOM 0 HD1 PHE A 38 118.926 1.028 -14.713 1.00 0.00 H new ATOM 0 HD2 PHE A 38 118.706 0.982 -10.424 1.00 0.00 H new ATOM 0 HE1 PHE A 38 120.971 2.424 -14.593 1.00 0.00 H new ATOM 0 HE2 PHE A 38 120.751 2.378 -10.304 1.00 0.00 H new ATOM 0 HZ PHE A 38 121.887 3.098 -12.389 1.00 0.00 H new ATOM 609 N GLY A 39 116.490 -3.148 -12.261 1.00 0.00 N ATOM 610 CA GLY A 39 116.200 -4.220 -11.269 1.00 0.00 C ATOM 611 C GLY A 39 116.249 -3.648 -9.850 1.00 0.00 C ATOM 612 O GLY A 39 116.496 -4.355 -8.893 1.00 0.00 O ATOM 0 H GLY A 39 115.801 -3.056 -13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 39 115.217 -4.650 -11.463 1.00 0.00 H new ATOM 0 HA3 GLY A 39 116.926 -5.026 -11.370 1.00 0.00 H new ATOM 616 N ARG A 40 116.008 -2.372 -9.711 1.00 0.00 N ATOM 617 CA ARG A 40 116.031 -1.747 -8.357 1.00 0.00 C ATOM 618 C ARG A 40 114.618 -1.717 -7.763 1.00 0.00 C ATOM 619 O ARG A 40 114.406 -1.225 -6.673 1.00 0.00 O ATOM 620 CB ARG A 40 116.540 -0.324 -8.596 1.00 0.00 C ATOM 621 CG ARG A 40 117.153 0.231 -7.308 1.00 0.00 C ATOM 622 CD ARG A 40 118.139 1.350 -7.654 1.00 0.00 C ATOM 623 NE ARG A 40 118.781 1.711 -6.361 1.00 0.00 N ATOM 624 CZ ARG A 40 119.106 2.951 -6.118 1.00 0.00 C ATOM 625 NH1 ARG A 40 119.661 3.676 -7.051 1.00 0.00 N ATOM 626 NH2 ARG A 40 118.874 3.469 -4.943 1.00 0.00 N ATOM 0 H ARG A 40 115.796 -1.734 -10.478 1.00 0.00 H new ATOM 0 HA ARG A 40 116.658 -2.297 -7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 40 117.283 -0.323 -9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 40 115.720 0.315 -8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 40 116.369 0.612 -6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 40 117.664 -0.563 -6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 40 118.878 1.014 -8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 40 117.626 2.206 -8.093 1.00 0.00 H new ATOM 0 HE ARG A 40 118.967 0.989 -5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 40 119.841 3.273 -7.971 1.00 0.00 H new ATOM 0 HH12 ARG A 40 119.915 4.645 -6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 40 118.438 2.904 -4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 40 119.128 4.438 -4.754 1.00 0.00 H new ATOM 640 N ARG A 41 113.646 -2.238 -8.476 1.00 0.00 N ATOM 641 CA ARG A 41 112.243 -2.235 -7.960 1.00 0.00 C ATOM 642 C ARG A 41 111.811 -0.799 -7.623 1.00 0.00 C ATOM 643 O ARG A 41 112.617 0.110 -7.650 1.00 0.00 O ATOM 644 CB ARG A 41 112.268 -3.111 -6.702 1.00 0.00 C ATOM 645 CG ARG A 41 111.681 -4.491 -7.022 1.00 0.00 C ATOM 646 CD ARG A 41 112.600 -5.227 -8.002 1.00 0.00 C ATOM 647 NE ARG A 41 111.757 -6.308 -8.588 1.00 0.00 N ATOM 648 CZ ARG A 41 112.309 -7.419 -8.996 1.00 0.00 C ATOM 649 NH1 ARG A 41 113.263 -7.385 -9.885 1.00 0.00 N ATOM 650 NH2 ARG A 41 111.907 -8.564 -8.515 1.00 0.00 N ATOM 0 H ARG A 41 113.767 -2.665 -9.394 1.00 0.00 H new ATOM 0 HA ARG A 41 111.532 -2.616 -8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 41 113.291 -3.215 -6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 41 111.695 -2.637 -5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 41 111.570 -5.071 -6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 41 110.686 -4.383 -7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 41 112.972 -4.554 -8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 41 113.471 -5.639 -7.492 1.00 0.00 H new ATOM 0 HE ARG A 41 110.748 -6.180 -8.670 1.00 0.00 H new ATOM 0 HH11 ARG A 41 113.578 -6.491 -10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 41 113.694 -8.253 -10.204 1.00 0.00 H new ATOM 0 HH21 ARG A 41 111.161 -8.592 -7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 41 112.339 -9.431 -8.834 1.00 0.00 H new ATOM 664 N PRO A 42 110.548 -0.636 -7.326 1.00 0.00 N ATOM 665 CA PRO A 42 110.018 0.709 -6.991 1.00 0.00 C ATOM 666 C PRO A 42 110.496 1.150 -5.604 1.00 0.00 C ATOM 667 O PRO A 42 111.051 0.371 -4.856 1.00 0.00 O ATOM 668 CB PRO A 42 108.504 0.514 -7.014 1.00 0.00 C ATOM 669 CG PRO A 42 108.296 -0.942 -6.745 1.00 0.00 C ATOM 670 CD PRO A 42 109.506 -1.669 -7.272 1.00 0.00 C ATOM 0 HA PRO A 42 110.353 1.484 -7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 42 108.016 1.129 -6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 42 108.084 0.801 -7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 42 108.174 -1.122 -5.677 1.00 0.00 H new ATOM 0 HG3 PRO A 42 107.390 -1.298 -7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 42 109.794 -2.492 -6.617 1.00 0.00 H new ATOM 0 HD3 PRO A 42 109.317 -2.097 -8.257 1.00 0.00 H new ATOM 678 N ILE A 43 110.282 2.398 -5.267 1.00 0.00 N ATOM 679 CA ILE A 43 110.715 2.934 -3.932 1.00 0.00 C ATOM 680 C ILE A 43 112.243 2.873 -3.783 1.00 0.00 C ATOM 681 O ILE A 43 112.889 3.883 -3.604 1.00 0.00 O ATOM 682 CB ILE A 43 110.015 2.066 -2.877 1.00 0.00 C ATOM 683 CG1 ILE A 43 108.506 2.323 -2.943 1.00 0.00 C ATOM 684 CG2 ILE A 43 110.534 2.429 -1.476 1.00 0.00 C ATOM 685 CD1 ILE A 43 107.803 1.581 -1.804 1.00 0.00 C ATOM 0 H ILE A 43 109.819 3.081 -5.867 1.00 0.00 H new ATOM 0 HA ILE A 43 110.442 3.983 -3.818 1.00 0.00 H new ATOM 0 HB ILE A 43 110.223 1.014 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 43 108.306 3.392 -2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 43 108.113 1.990 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 43 110.034 1.810 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 43 111.609 2.255 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 43 110.327 3.480 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 43 106.730 1.767 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 43 107.990 0.511 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 43 108.187 1.935 -0.847 1.00 0.00 H new ATOM 697 N GLN A 44 112.828 1.704 -3.847 1.00 0.00 N ATOM 698 CA GLN A 44 114.316 1.595 -3.701 1.00 0.00 C ATOM 699 C GLN A 44 115.025 2.700 -4.500 1.00 0.00 C ATOM 700 O GLN A 44 116.097 3.143 -4.143 1.00 0.00 O ATOM 701 CB GLN A 44 114.669 0.218 -4.264 1.00 0.00 C ATOM 702 CG GLN A 44 115.658 -0.482 -3.326 1.00 0.00 C ATOM 703 CD GLN A 44 115.293 -1.964 -3.206 1.00 0.00 C ATOM 704 OE1 GLN A 44 114.461 -2.460 -3.940 1.00 0.00 O ATOM 705 NE2 GLN A 44 115.884 -2.697 -2.304 1.00 0.00 N ATOM 0 H GLN A 44 112.342 0.819 -3.994 1.00 0.00 H new ATOM 0 HA GLN A 44 114.632 1.710 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 44 113.767 -0.384 -4.373 1.00 0.00 H new ATOM 0 HB3 GLN A 44 115.105 0.321 -5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 44 116.673 -0.377 -3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 44 115.637 -0.011 -2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 44 116.583 -2.282 -1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 44 115.648 -3.685 -2.215 1.00 0.00 H new ATOM 714 N VAL A 45 114.425 3.149 -5.571 1.00 0.00 N ATOM 715 CA VAL A 45 115.054 4.229 -6.385 1.00 0.00 C ATOM 716 C VAL A 45 114.204 5.504 -6.309 1.00 0.00 C ATOM 717 O VAL A 45 114.084 6.242 -7.267 1.00 0.00 O ATOM 718 CB VAL A 45 115.090 3.677 -7.814 1.00 0.00 C ATOM 719 CG1 VAL A 45 113.665 3.403 -8.305 1.00 0.00 C ATOM 720 CG2 VAL A 45 115.759 4.696 -8.739 1.00 0.00 C ATOM 0 H VAL A 45 113.526 2.814 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 45 116.051 4.494 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 45 115.657 2.746 -7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 45 113.699 3.011 -9.321 1.00 0.00 H new ATOM 0 HG12 VAL A 45 113.189 2.673 -7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 45 113.091 4.330 -8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 45 115.784 4.303 -9.755 1.00 0.00 H new ATOM 0 HG22 VAL A 45 115.193 5.627 -8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 45 116.777 4.884 -8.397 1.00 0.00 H new ATOM 730 N MET A 46 113.609 5.763 -5.175 1.00 0.00 N ATOM 731 CA MET A 46 112.762 6.985 -5.031 1.00 0.00 C ATOM 732 C MET A 46 113.438 7.991 -4.100 1.00 0.00 C ATOM 733 O MET A 46 114.423 7.689 -3.455 1.00 0.00 O ATOM 734 CB MET A 46 111.450 6.488 -4.411 1.00 0.00 C ATOM 735 CG MET A 46 111.681 6.089 -2.945 1.00 0.00 C ATOM 736 SD MET A 46 110.878 7.279 -1.845 1.00 0.00 S ATOM 737 CE MET A 46 110.869 6.230 -0.369 1.00 0.00 C ATOM 0 H MET A 46 113.673 5.180 -4.340 1.00 0.00 H new ATOM 0 HA MET A 46 112.602 7.488 -5.985 1.00 0.00 H new ATOM 0 HB2 MET A 46 110.692 7.269 -4.469 1.00 0.00 H new ATOM 0 HB3 MET A 46 111.072 5.634 -4.974 1.00 0.00 H new ATOM 0 HG2 MET A 46 111.284 5.090 -2.765 1.00 0.00 H new ATOM 0 HG3 MET A 46 112.750 6.050 -2.734 1.00 0.00 H new ATOM 0 HE1 MET A 46 110.457 6.788 0.472 1.00 0.00 H new ATOM 0 HE2 MET A 46 110.256 5.348 -0.554 1.00 0.00 H new ATOM 0 HE3 MET A 46 111.888 5.922 -0.135 1.00 0.00 H new ATOM 747 N MET A 47 112.900 9.176 -4.002 1.00 0.00 N ATOM 748 CA MET A 47 113.501 10.182 -3.085 1.00 0.00 C ATOM 749 C MET A 47 113.177 9.787 -1.645 1.00 0.00 C ATOM 750 O MET A 47 112.094 10.037 -1.151 1.00 0.00 O ATOM 751 CB MET A 47 112.838 11.512 -3.444 1.00 0.00 C ATOM 752 CG MET A 47 113.467 12.632 -2.612 1.00 0.00 C ATOM 753 SD MET A 47 113.397 14.188 -3.535 1.00 0.00 S ATOM 754 CE MET A 47 111.884 14.833 -2.779 1.00 0.00 C ATOM 0 H MET A 47 112.075 9.489 -4.514 1.00 0.00 H new ATOM 0 HA MET A 47 114.585 10.249 -3.179 1.00 0.00 H new ATOM 0 HB2 MET A 47 112.963 11.719 -4.507 1.00 0.00 H new ATOM 0 HB3 MET A 47 111.766 11.460 -3.254 1.00 0.00 H new ATOM 0 HG2 MET A 47 112.938 12.736 -1.664 1.00 0.00 H new ATOM 0 HG3 MET A 47 114.502 12.385 -2.374 1.00 0.00 H new ATOM 0 HE1 MET A 47 111.443 15.586 -3.432 1.00 0.00 H new ATOM 0 HE2 MET A 47 111.174 14.019 -2.634 1.00 0.00 H new ATOM 0 HE3 MET A 47 112.122 15.283 -1.815 1.00 0.00 H new ATOM 764 N MET A 48 114.101 9.158 -0.973 1.00 0.00 N ATOM 765 CA MET A 48 113.843 8.727 0.432 1.00 0.00 C ATOM 766 C MET A 48 113.569 9.933 1.339 1.00 0.00 C ATOM 767 O MET A 48 113.223 9.775 2.492 1.00 0.00 O ATOM 768 CB MET A 48 115.116 8.001 0.866 1.00 0.00 C ATOM 769 CG MET A 48 114.891 6.489 0.790 1.00 0.00 C ATOM 770 SD MET A 48 114.771 5.973 -0.941 1.00 0.00 S ATOM 771 CE MET A 48 114.149 4.298 -0.638 1.00 0.00 C ATOM 0 H MET A 48 115.025 8.923 -1.336 1.00 0.00 H new ATOM 0 HA MET A 48 112.963 8.088 0.503 1.00 0.00 H new ATOM 0 HB2 MET A 48 115.948 8.288 0.224 1.00 0.00 H new ATOM 0 HB3 MET A 48 115.383 8.289 1.883 1.00 0.00 H new ATOM 0 HG2 MET A 48 115.712 5.965 1.279 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.979 6.221 1.323 1.00 0.00 H new ATOM 0 HE1 MET A 48 114.770 3.577 -1.170 1.00 0.00 H new ATOM 0 HE2 MET A 48 114.182 4.085 0.431 1.00 0.00 H new ATOM 0 HE3 MET A 48 113.121 4.222 -0.992 1.00 0.00 H new ATOM 781 N GLY A 49 113.712 11.134 0.837 1.00 0.00 N ATOM 782 CA GLY A 49 113.443 12.332 1.684 1.00 0.00 C ATOM 783 C GLY A 49 111.965 12.725 1.563 1.00 0.00 C ATOM 784 O GLY A 49 111.589 13.846 1.844 1.00 0.00 O ATOM 0 H GLY A 49 114.003 11.335 -0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.689 12.117 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 49 114.077 13.161 1.371 1.00 0.00 H new ATOM 788 N SER A 50 111.125 11.810 1.149 1.00 0.00 N ATOM 789 CA SER A 50 109.674 12.127 1.011 1.00 0.00 C ATOM 790 C SER A 50 108.837 10.851 1.153 1.00 0.00 C ATOM 791 O SER A 50 108.835 10.001 0.284 1.00 0.00 O ATOM 792 CB SER A 50 109.531 12.711 -0.394 1.00 0.00 C ATOM 793 OG SER A 50 108.151 12.865 -0.700 1.00 0.00 O ATOM 0 H SER A 50 111.384 10.855 0.900 1.00 0.00 H new ATOM 0 HA SER A 50 109.326 12.819 1.778 1.00 0.00 H new ATOM 0 HB2 SER A 50 110.038 13.674 -0.454 1.00 0.00 H new ATOM 0 HB3 SER A 50 110.006 12.055 -1.123 1.00 0.00 H new ATOM 0 HG SER A 50 108.055 13.241 -1.600 1.00 0.00 H new ATOM 799 N ALA A 51 108.124 10.715 2.241 1.00 0.00 N ATOM 800 CA ALA A 51 107.281 9.496 2.439 1.00 0.00 C ATOM 801 C ALA A 51 106.151 9.468 1.410 1.00 0.00 C ATOM 802 O ALA A 51 105.690 8.419 1.008 1.00 0.00 O ATOM 803 CB ALA A 51 106.717 9.620 3.856 1.00 0.00 C ATOM 0 H ALA A 51 108.088 11.394 3.001 1.00 0.00 H new ATOM 0 HA ALA A 51 107.851 8.576 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 51 106.086 8.758 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 51 107.538 9.659 4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 51 106.125 10.532 3.933 1.00 0.00 H new ATOM 809 N GLN A 52 105.708 10.619 0.979 1.00 0.00 N ATOM 810 CA GLN A 52 104.608 10.675 -0.029 1.00 0.00 C ATOM 811 C GLN A 52 104.940 9.778 -1.230 1.00 0.00 C ATOM 812 O GLN A 52 104.065 9.189 -1.839 1.00 0.00 O ATOM 813 CB GLN A 52 104.540 12.147 -0.442 1.00 0.00 C ATOM 814 CG GLN A 52 103.154 12.461 -1.011 1.00 0.00 C ATOM 815 CD GLN A 52 102.358 13.286 0.004 1.00 0.00 C ATOM 816 OE1 GLN A 52 101.372 12.823 0.543 1.00 0.00 O ATOM 817 NE2 GLN A 52 102.748 14.498 0.288 1.00 0.00 N ATOM 0 H GLN A 52 106.062 11.526 1.282 1.00 0.00 H new ATOM 0 HA GLN A 52 103.657 10.319 0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 52 104.744 12.785 0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 52 105.306 12.361 -1.187 1.00 0.00 H new ATOM 0 HG2 GLN A 52 103.250 13.011 -1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 52 102.625 11.536 -1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 52 103.576 14.887 -0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 52 102.225 15.057 0.962 1.00 0.00 H new ATOM 826 N VAL A 53 106.198 9.662 -1.565 1.00 0.00 N ATOM 827 CA VAL A 53 106.592 8.798 -2.719 1.00 0.00 C ATOM 828 C VAL A 53 106.505 7.321 -2.323 1.00 0.00 C ATOM 829 O VAL A 53 105.942 6.508 -3.032 1.00 0.00 O ATOM 830 CB VAL A 53 108.042 9.181 -3.034 1.00 0.00 C ATOM 831 CG1 VAL A 53 108.506 8.429 -4.281 1.00 0.00 C ATOM 832 CG2 VAL A 53 108.140 10.686 -3.293 1.00 0.00 C ATOM 0 H VAL A 53 106.971 10.128 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 53 105.939 8.940 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 53 108.672 8.918 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 53 109.537 8.700 -4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 53 108.444 7.355 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 53 107.868 8.694 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 53 109.174 10.950 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 53 107.507 10.952 -4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.809 11.230 -2.408 1.00 0.00 H new ATOM 842 N ALA A 54 107.057 6.971 -1.192 1.00 0.00 N ATOM 843 CA ALA A 54 107.010 5.549 -0.740 1.00 0.00 C ATOM 844 C ALA A 54 105.582 5.172 -0.330 1.00 0.00 C ATOM 845 O ALA A 54 105.211 4.016 -0.331 1.00 0.00 O ATOM 846 CB ALA A 54 107.950 5.479 0.466 1.00 0.00 C ATOM 0 H ALA A 54 107.540 7.610 -0.560 1.00 0.00 H new ATOM 0 HA ALA A 54 107.309 4.857 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 54 107.968 4.461 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 54 108.955 5.769 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 54 107.597 6.157 1.243 1.00 0.00 H new ATOM 852 N GLU A 55 104.781 6.144 0.025 1.00 0.00 N ATOM 853 CA GLU A 55 103.379 5.845 0.440 1.00 0.00 C ATOM 854 C GLU A 55 102.566 5.313 -0.744 1.00 0.00 C ATOM 855 O GLU A 55 101.949 4.269 -0.662 1.00 0.00 O ATOM 856 CB GLU A 55 102.811 7.183 0.919 1.00 0.00 C ATOM 857 CG GLU A 55 101.726 6.933 1.970 1.00 0.00 C ATOM 858 CD GLU A 55 100.569 7.911 1.756 1.00 0.00 C ATOM 859 OE1 GLU A 55 100.717 9.063 2.130 1.00 0.00 O ATOM 860 OE2 GLU A 55 99.555 7.491 1.224 1.00 0.00 O ATOM 0 H GLU A 55 105.038 7.131 0.045 1.00 0.00 H new ATOM 0 HA GLU A 55 103.340 5.081 1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 55 103.606 7.797 1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 55 102.395 7.736 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 55 101.366 5.907 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 55 102.140 7.057 2.971 1.00 0.00 H new ATOM 867 N LEU A 56 102.553 6.024 -1.841 1.00 0.00 N ATOM 868 CA LEU A 56 101.766 5.554 -3.022 1.00 0.00 C ATOM 869 C LEU A 56 102.291 4.204 -3.518 1.00 0.00 C ATOM 870 O LEU A 56 101.556 3.240 -3.611 1.00 0.00 O ATOM 871 CB LEU A 56 101.971 6.622 -4.100 1.00 0.00 C ATOM 872 CG LEU A 56 100.739 6.709 -5.015 1.00 0.00 C ATOM 873 CD1 LEU A 56 101.164 7.262 -6.375 1.00 0.00 C ATOM 874 CD2 LEU A 56 100.114 5.323 -5.221 1.00 0.00 C ATOM 0 H LEU A 56 103.050 6.905 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 56 100.714 5.418 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 56 102.152 7.589 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 56 102.855 6.384 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 56 100.004 7.363 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 56 100.295 7.326 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 56 101.595 8.255 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 56 101.906 6.600 -6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 56 99.244 5.409 -5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 56 100.846 4.658 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 56 99.808 4.915 -4.258 1.00 0.00 H new ATOM 886 N LEU A 57 103.553 4.134 -3.854 1.00 0.00 N ATOM 887 CA LEU A 57 104.133 2.852 -4.363 1.00 0.00 C ATOM 888 C LEU A 57 103.728 1.674 -3.470 1.00 0.00 C ATOM 889 O LEU A 57 103.255 0.660 -3.943 1.00 0.00 O ATOM 890 CB LEU A 57 105.649 3.058 -4.317 1.00 0.00 C ATOM 891 CG LEU A 57 106.176 3.424 -5.710 1.00 0.00 C ATOM 892 CD1 LEU A 57 105.863 2.295 -6.696 1.00 0.00 C ATOM 893 CD2 LEU A 57 105.512 4.720 -6.187 1.00 0.00 C ATOM 0 H LEU A 57 104.211 4.912 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 57 103.777 2.618 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 57 105.895 3.849 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 57 106.136 2.150 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 57 107.255 3.567 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 57 106.239 2.560 -7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 57 106.342 1.375 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 57 104.785 2.145 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 57 105.888 4.978 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 57 104.432 4.580 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 57 105.743 5.525 -5.490 1.00 0.00 H new ATOM 905 N LEU A 58 103.914 1.802 -2.187 1.00 0.00 N ATOM 906 CA LEU A 58 103.543 0.688 -1.267 1.00 0.00 C ATOM 907 C LEU A 58 102.021 0.549 -1.178 1.00 0.00 C ATOM 908 O LEU A 58 101.506 -0.511 -0.877 1.00 0.00 O ATOM 909 CB LEU A 58 104.131 1.084 0.087 1.00 0.00 C ATOM 910 CG LEU A 58 103.844 -0.011 1.112 1.00 0.00 C ATOM 911 CD1 LEU A 58 104.517 -1.315 0.676 1.00 0.00 C ATOM 912 CD2 LEU A 58 104.394 0.420 2.472 1.00 0.00 C ATOM 0 H LEU A 58 104.306 2.628 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 58 103.922 -0.274 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.206 1.238 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.700 2.029 0.419 1.00 0.00 H new ATOM 0 HG LEU A 58 102.768 -0.171 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.310 -2.094 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 58 104.127 -1.619 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 58 105.594 -1.162 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 58 104.192 -0.357 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 58 105.470 0.578 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.912 1.347 2.782 1.00 0.00 H new ATOM 924 N LEU A 59 101.295 1.604 -1.440 1.00 0.00 N ATOM 925 CA LEU A 59 99.806 1.520 -1.370 1.00 0.00 C ATOM 926 C LEU A 59 99.280 0.617 -2.488 1.00 0.00 C ATOM 927 O LEU A 59 98.385 -0.180 -2.285 1.00 0.00 O ATOM 928 CB LEU A 59 99.310 2.957 -1.558 1.00 0.00 C ATOM 929 CG LEU A 59 97.780 2.983 -1.518 1.00 0.00 C ATOM 930 CD1 LEU A 59 97.295 2.566 -0.127 1.00 0.00 C ATOM 931 CD2 LEU A 59 97.285 4.399 -1.824 1.00 0.00 C ATOM 0 H LEU A 59 101.667 2.518 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 59 99.460 1.096 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 59 99.715 3.597 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 59 99.666 3.353 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 59 97.388 2.290 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 59 96.205 2.585 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 59 97.646 1.558 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 59 97.688 3.258 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 59 96.196 4.418 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 59 97.679 5.091 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 59 97.627 4.698 -2.815 1.00 0.00 H new ATOM 943 N HIS A 60 99.833 0.733 -3.667 1.00 0.00 N ATOM 944 CA HIS A 60 99.367 -0.122 -4.796 1.00 0.00 C ATOM 945 C HIS A 60 99.973 -1.524 -4.672 1.00 0.00 C ATOM 946 O HIS A 60 99.373 -2.504 -5.067 1.00 0.00 O ATOM 947 CB HIS A 60 99.863 0.578 -6.063 1.00 0.00 C ATOM 948 CG HIS A 60 99.027 1.805 -6.317 1.00 0.00 C ATOM 949 ND1 HIS A 60 98.680 2.214 -7.596 1.00 0.00 N ATOM 950 CD2 HIS A 60 98.462 2.722 -5.465 1.00 0.00 C ATOM 951 CE1 HIS A 60 97.938 3.333 -7.478 1.00 0.00 C ATOM 952 NE2 HIS A 60 97.776 3.686 -6.199 1.00 0.00 N ATOM 0 H HIS A 60 100.586 1.382 -3.896 1.00 0.00 H new ATOM 0 HA HIS A 60 98.284 -0.244 -4.807 1.00 0.00 H new ATOM 0 HB2 HIS A 60 100.911 0.855 -5.952 1.00 0.00 H new ATOM 0 HB3 HIS A 60 99.801 -0.100 -6.914 1.00 0.00 H new ATOM 0 HD2 HIS A 60 98.538 2.699 -4.388 1.00 0.00 H new ATOM 0 HE1 HIS A 60 97.525 3.878 -8.314 1.00 0.00 H new ATOM 0 HE2 HIS A 60 97.261 4.489 -5.838 1.00 0.00 H new ATOM 960 N GLY A 61 101.154 -1.627 -4.117 1.00 0.00 N ATOM 961 CA GLY A 61 101.789 -2.957 -3.958 1.00 0.00 C ATOM 962 C GLY A 61 103.250 -2.905 -4.415 1.00 0.00 C ATOM 963 O GLY A 61 103.672 -3.676 -5.253 1.00 0.00 O ATOM 0 H GLY A 61 101.702 -0.841 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.738 -3.270 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 61 101.244 -3.700 -4.541 1.00 0.00 H new ATOM 967 N ALA A 62 104.026 -2.007 -3.867 1.00 0.00 N ATOM 968 CA ALA A 62 105.460 -1.916 -4.273 1.00 0.00 C ATOM 969 C ALA A 62 106.229 -3.138 -3.762 1.00 0.00 C ATOM 970 O ALA A 62 105.646 -4.104 -3.309 1.00 0.00 O ATOM 971 CB ALA A 62 105.985 -0.641 -3.614 1.00 0.00 C ATOM 0 H ALA A 62 103.731 -1.335 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 62 105.580 -1.890 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 62 107.037 -0.507 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 62 105.413 0.215 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 62 105.880 -0.721 -2.532 1.00 0.00 H new ATOM 977 N GLU A 63 107.533 -3.101 -3.828 1.00 0.00 N ATOM 978 CA GLU A 63 108.341 -4.257 -3.343 1.00 0.00 C ATOM 979 C GLU A 63 109.222 -3.824 -2.167 1.00 0.00 C ATOM 980 O GLU A 63 110.404 -3.591 -2.330 1.00 0.00 O ATOM 981 CB GLU A 63 109.203 -4.669 -4.539 1.00 0.00 C ATOM 982 CG GLU A 63 108.376 -5.531 -5.500 1.00 0.00 C ATOM 983 CD GLU A 63 108.066 -4.735 -6.770 1.00 0.00 C ATOM 984 OE1 GLU A 63 107.620 -3.607 -6.643 1.00 0.00 O ATOM 985 OE2 GLU A 63 108.280 -5.267 -7.845 1.00 0.00 O ATOM 0 H GLU A 63 108.074 -2.319 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 63 107.719 -5.079 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 63 109.572 -3.783 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.076 -5.225 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 63 108.924 -6.439 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 63 107.449 -5.842 -5.019 1.00 0.00 H new ATOM 992 N PRO A 64 108.615 -3.728 -1.011 1.00 0.00 N ATOM 993 CA PRO A 64 109.355 -3.314 0.204 1.00 0.00 C ATOM 994 C PRO A 64 110.201 -4.475 0.736 1.00 0.00 C ATOM 995 O PRO A 64 111.218 -4.274 1.370 1.00 0.00 O ATOM 996 CB PRO A 64 108.252 -2.952 1.191 1.00 0.00 C ATOM 997 CG PRO A 64 107.053 -3.734 0.749 1.00 0.00 C ATOM 998 CD PRO A 64 107.197 -3.989 -0.732 1.00 0.00 C ATOM 0 HA PRO A 64 110.046 -2.490 0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 64 108.536 -3.211 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 64 108.049 -1.881 1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 64 106.987 -4.675 1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 64 106.137 -3.180 0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 64 106.924 -5.013 -0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 64 106.550 -3.332 -1.313 1.00 0.00 H new ATOM 1006 N ASN A 65 109.785 -5.688 0.481 1.00 0.00 N ATOM 1007 CA ASN A 65 110.561 -6.863 0.972 1.00 0.00 C ATOM 1008 C ASN A 65 111.640 -7.249 -0.044 1.00 0.00 C ATOM 1009 O ASN A 65 112.817 -7.255 0.260 1.00 0.00 O ATOM 1010 CB ASN A 65 109.533 -7.986 1.111 1.00 0.00 C ATOM 1011 CG ASN A 65 110.206 -9.228 1.696 1.00 0.00 C ATOM 1012 OD1 ASN A 65 110.048 -9.527 2.862 1.00 0.00 O ATOM 1013 ND2 ASN A 65 110.959 -9.970 0.930 1.00 0.00 N ATOM 0 H ASN A 65 108.942 -5.915 -0.046 1.00 0.00 H new ATOM 0 HA ASN A 65 111.071 -6.656 1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 65 108.715 -7.666 1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 65 109.100 -8.219 0.138 1.00 0.00 H new ATOM 0 HD21 ASN A 65 111.414 -10.800 1.311 1.00 0.00 H new ATOM 0 HD22 ASN A 65 111.093 -9.720 -0.050 1.00 0.00 H new ATOM 1020 N CYS A 66 111.248 -7.572 -1.248 1.00 0.00 N ATOM 1021 CA CYS A 66 112.250 -7.960 -2.288 1.00 0.00 C ATOM 1022 C CYS A 66 113.334 -6.885 -2.414 1.00 0.00 C ATOM 1023 O CYS A 66 113.207 -5.801 -1.881 1.00 0.00 O ATOM 1024 CB CYS A 66 111.458 -8.077 -3.585 1.00 0.00 C ATOM 1025 SG CYS A 66 111.492 -9.791 -4.172 1.00 0.00 S ATOM 0 H CYS A 66 110.276 -7.584 -1.558 1.00 0.00 H new ATOM 0 HA CYS A 66 112.758 -8.891 -2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 66 110.428 -7.759 -3.423 1.00 0.00 H new ATOM 0 HB3 CYS A 66 111.881 -7.415 -4.341 1.00 0.00 H new ATOM 0 HG CYS A 66 110.813 -9.885 -5.277 1.00 0.00 H new ATOM 1031 N ALA A 67 114.400 -7.178 -3.112 1.00 0.00 N ATOM 1032 CA ALA A 67 115.489 -6.169 -3.264 1.00 0.00 C ATOM 1033 C ALA A 67 116.482 -6.602 -4.346 1.00 0.00 C ATOM 1034 O ALA A 67 116.170 -7.401 -5.207 1.00 0.00 O ATOM 1035 CB ALA A 67 116.175 -6.125 -1.900 1.00 0.00 C ATOM 0 H ALA A 67 114.563 -8.069 -3.582 1.00 0.00 H new ATOM 0 HA ALA A 67 115.104 -5.195 -3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 67 116.992 -5.404 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.453 -5.828 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 67 116.570 -7.112 -1.660 1.00 0.00 H new ATOM 1041 N ASP A 68 117.677 -6.074 -4.305 1.00 0.00 N ATOM 1042 CA ASP A 68 118.701 -6.442 -5.326 1.00 0.00 C ATOM 1043 C ASP A 68 119.339 -7.795 -4.977 1.00 0.00 C ATOM 1044 O ASP A 68 119.870 -7.963 -3.897 1.00 0.00 O ATOM 1045 CB ASP A 68 119.745 -5.326 -5.249 1.00 0.00 C ATOM 1046 CG ASP A 68 120.528 -5.266 -6.562 1.00 0.00 C ATOM 1047 OD1 ASP A 68 119.920 -5.466 -7.602 1.00 0.00 O ATOM 1048 OD2 ASP A 68 121.721 -5.021 -6.507 1.00 0.00 O ATOM 0 H ASP A 68 117.989 -5.401 -3.605 1.00 0.00 H new ATOM 0 HA ASP A 68 118.274 -6.541 -6.324 1.00 0.00 H new ATOM 0 HB2 ASP A 68 119.257 -4.370 -5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 68 120.425 -5.507 -4.416 1.00 0.00 H new ATOM 1053 N PRO A 69 119.271 -8.721 -5.903 1.00 0.00 N ATOM 1054 CA PRO A 69 119.858 -10.063 -5.671 1.00 0.00 C ATOM 1055 C PRO A 69 121.385 -10.000 -5.759 1.00 0.00 C ATOM 1056 O PRO A 69 122.082 -10.826 -5.202 1.00 0.00 O ATOM 1057 CB PRO A 69 119.286 -10.908 -6.806 1.00 0.00 C ATOM 1058 CG PRO A 69 118.963 -9.931 -7.893 1.00 0.00 C ATOM 1059 CD PRO A 69 118.652 -8.613 -7.232 1.00 0.00 C ATOM 0 HA PRO A 69 119.625 -10.467 -4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 69 120.007 -11.652 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 69 118.396 -11.449 -6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 69 119.803 -9.828 -8.579 1.00 0.00 H new ATOM 0 HG3 PRO A 69 118.112 -10.277 -8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 69 119.065 -7.777 -7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 69 117.577 -8.448 -7.158 1.00 0.00 H new ATOM 1067 N ALA A 70 121.911 -9.028 -6.457 1.00 0.00 N ATOM 1068 CA ALA A 70 123.394 -8.910 -6.585 1.00 0.00 C ATOM 1069 C ALA A 70 124.041 -8.779 -5.203 1.00 0.00 C ATOM 1070 O ALA A 70 125.020 -9.432 -4.903 1.00 0.00 O ATOM 1071 CB ALA A 70 123.622 -7.639 -7.406 1.00 0.00 C ATOM 0 H ALA A 70 121.377 -8.309 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 70 123.836 -9.787 -7.058 1.00 0.00 H new ATOM 0 HB1 ALA A 70 124.692 -7.482 -7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 70 123.142 -7.743 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 70 123.195 -6.785 -6.880 1.00 0.00 H new ATOM 1077 N THR A 71 123.502 -7.936 -4.361 1.00 0.00 N ATOM 1078 CA THR A 71 124.089 -7.763 -3.001 1.00 0.00 C ATOM 1079 C THR A 71 122.987 -7.462 -1.979 1.00 0.00 C ATOM 1080 O THR A 71 122.906 -6.371 -1.453 1.00 0.00 O ATOM 1081 CB THR A 71 125.040 -6.570 -3.130 1.00 0.00 C ATOM 1082 OG1 THR A 71 124.332 -5.457 -3.656 1.00 0.00 O ATOM 1083 CG2 THR A 71 126.194 -6.934 -4.067 1.00 0.00 C ATOM 0 H THR A 71 122.682 -7.361 -4.557 1.00 0.00 H new ATOM 0 HA THR A 71 124.602 -8.661 -2.657 1.00 0.00 H new ATOM 0 HB THR A 71 125.439 -6.315 -2.148 1.00 0.00 H new ATOM 0 HG1 THR A 71 124.939 -4.692 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 71 126.870 -6.084 -4.158 1.00 0.00 H new ATOM 0 HG22 THR A 71 126.737 -7.788 -3.661 1.00 0.00 H new ATOM 0 HG23 THR A 71 125.798 -7.190 -5.050 1.00 0.00 H new ATOM 1091 N LEU A 72 122.145 -8.433 -1.700 1.00 0.00 N ATOM 1092 CA LEU A 72 121.026 -8.253 -0.708 1.00 0.00 C ATOM 1093 C LEU A 72 120.929 -6.810 -0.201 1.00 0.00 C ATOM 1094 O LEU A 72 121.496 -6.465 0.816 1.00 0.00 O ATOM 1095 CB LEU A 72 121.381 -9.184 0.449 1.00 0.00 C ATOM 1096 CG LEU A 72 121.172 -10.637 0.027 1.00 0.00 C ATOM 1097 CD1 LEU A 72 122.108 -11.543 0.829 1.00 0.00 C ATOM 1098 CD2 LEU A 72 119.724 -11.034 0.302 1.00 0.00 C ATOM 0 H LEU A 72 122.185 -9.360 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 72 120.061 -8.478 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 72 122.417 -9.028 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 72 120.761 -8.955 1.316 1.00 0.00 H new ATOM 0 HG LEU A 72 121.389 -10.744 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 72 121.958 -12.580 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 72 123.142 -11.256 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 72 121.891 -11.440 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 72 119.568 -12.070 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 72 119.513 -10.928 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 72 119.055 -10.388 -0.266 1.00 0.00 H new ATOM 1110 N THR A 73 120.219 -5.966 -0.898 1.00 0.00 N ATOM 1111 CA THR A 73 120.095 -4.549 -0.447 1.00 0.00 C ATOM 1112 C THR A 73 118.622 -4.138 -0.381 1.00 0.00 C ATOM 1113 O THR A 73 118.092 -3.546 -1.301 1.00 0.00 O ATOM 1114 CB THR A 73 120.844 -3.721 -1.499 1.00 0.00 C ATOM 1115 OG1 THR A 73 121.158 -4.536 -2.621 1.00 0.00 O ATOM 1116 CG2 THR A 73 122.134 -3.171 -0.891 1.00 0.00 C ATOM 0 H THR A 73 119.720 -6.194 -1.758 1.00 0.00 H new ATOM 0 HA THR A 73 120.508 -4.400 0.551 1.00 0.00 H new ATOM 0 HB THR A 73 120.211 -2.894 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 73 121.876 -5.159 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 73 122.666 -2.583 -1.638 1.00 0.00 H new ATOM 0 HG22 THR A 73 121.893 -2.539 -0.036 1.00 0.00 H new ATOM 0 HG23 THR A 73 122.764 -3.998 -0.564 1.00 0.00 H new ATOM 1124 N ARG A 74 117.960 -4.449 0.702 1.00 0.00 N ATOM 1125 CA ARG A 74 116.518 -4.079 0.833 1.00 0.00 C ATOM 1126 C ARG A 74 116.352 -2.555 0.776 1.00 0.00 C ATOM 1127 O ARG A 74 117.298 -1.822 0.986 1.00 0.00 O ATOM 1128 CB ARG A 74 116.090 -4.612 2.201 1.00 0.00 C ATOM 1129 CG ARG A 74 115.265 -5.886 2.011 1.00 0.00 C ATOM 1130 CD ARG A 74 116.168 -7.003 1.482 1.00 0.00 C ATOM 1131 NE ARG A 74 115.370 -8.250 1.640 1.00 0.00 N ATOM 1132 CZ ARG A 74 115.397 -9.163 0.709 1.00 0.00 C ATOM 1133 NH1 ARG A 74 114.606 -9.066 -0.323 1.00 0.00 N ATOM 1134 NH2 ARG A 74 116.216 -10.174 0.811 1.00 0.00 N ATOM 0 H ARG A 74 118.355 -4.943 1.502 1.00 0.00 H new ATOM 0 HA ARG A 74 115.914 -4.495 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 74 116.967 -4.821 2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 74 115.504 -3.861 2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 74 114.815 -6.185 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 74 114.448 -5.703 1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 74 116.435 -6.834 0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 74 117.100 -7.057 2.044 1.00 0.00 H new ATOM 0 HE ARG A 74 114.803 -8.390 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 74 113.966 -8.276 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 74 114.627 -9.780 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 74 116.835 -10.250 1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 74 116.238 -10.888 0.083 1.00 0.00 H new ATOM 1148 N PRO A 75 115.146 -2.128 0.499 1.00 0.00 N ATOM 1149 CA PRO A 75 114.856 -0.674 0.422 1.00 0.00 C ATOM 1150 C PRO A 75 114.889 -0.047 1.821 1.00 0.00 C ATOM 1151 O PRO A 75 115.017 1.152 1.970 1.00 0.00 O ATOM 1152 CB PRO A 75 113.449 -0.619 -0.167 1.00 0.00 C ATOM 1153 CG PRO A 75 112.832 -1.935 0.183 1.00 0.00 C ATOM 1154 CD PRO A 75 113.952 -2.942 0.233 1.00 0.00 C ATOM 0 HA PRO A 75 115.583 -0.123 -0.174 1.00 0.00 H new ATOM 0 HB2 PRO A 75 112.878 0.209 0.252 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.478 -0.471 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 75 112.320 -1.878 1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 75 112.087 -2.222 -0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 75 113.790 -3.682 1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 75 114.041 -3.488 -0.706 1.00 0.00 H new ATOM 1162 N VAL A 76 114.776 -0.852 2.846 1.00 0.00 N ATOM 1163 CA VAL A 76 114.803 -0.304 4.234 1.00 0.00 C ATOM 1164 C VAL A 76 116.139 0.398 4.494 1.00 0.00 C ATOM 1165 O VAL A 76 116.213 1.358 5.236 1.00 0.00 O ATOM 1166 CB VAL A 76 114.650 -1.526 5.145 1.00 0.00 C ATOM 1167 CG1 VAL A 76 114.668 -1.081 6.609 1.00 0.00 C ATOM 1168 CG2 VAL A 76 113.321 -2.225 4.844 1.00 0.00 C ATOM 0 H VAL A 76 114.666 -1.864 2.781 1.00 0.00 H new ATOM 0 HA VAL A 76 114.017 0.432 4.406 1.00 0.00 H new ATOM 0 HB VAL A 76 115.475 -2.215 4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 76 114.559 -1.952 7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 76 115.613 -0.584 6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 76 113.845 -0.390 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 76 113.212 -3.095 5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 76 112.498 -1.534 5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 76 113.306 -2.545 3.802 1.00 0.00 H new ATOM 1178 N HIS A 77 117.194 -0.078 3.889 1.00 0.00 N ATOM 1179 CA HIS A 77 118.528 0.556 4.097 1.00 0.00 C ATOM 1180 C HIS A 77 118.530 1.985 3.546 1.00 0.00 C ATOM 1181 O HIS A 77 119.065 2.892 4.154 1.00 0.00 O ATOM 1182 CB HIS A 77 119.510 -0.320 3.317 1.00 0.00 C ATOM 1183 CG HIS A 77 119.758 -1.593 4.077 1.00 0.00 C ATOM 1184 ND1 HIS A 77 118.866 -2.654 4.053 1.00 0.00 N ATOM 1185 CD2 HIS A 77 120.793 -1.993 4.886 1.00 0.00 C ATOM 1186 CE1 HIS A 77 119.377 -3.630 4.825 1.00 0.00 C ATOM 1187 NE2 HIS A 77 120.551 -3.279 5.358 1.00 0.00 N ATOM 0 H HIS A 77 117.190 -0.880 3.259 1.00 0.00 H new ATOM 0 HA HIS A 77 118.791 0.624 5.153 1.00 0.00 H new ATOM 0 HB2 HIS A 77 119.107 -0.546 2.330 1.00 0.00 H new ATOM 0 HB3 HIS A 77 120.448 0.214 3.164 1.00 0.00 H new ATOM 0 HD1 HIS A 77 117.983 -2.688 3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 77 121.664 -1.399 5.120 1.00 0.00 H new ATOM 0 HE1 HIS A 77 118.896 -4.582 4.994 1.00 0.00 H new ATOM 1195 N ASP A 78 117.939 2.191 2.399 1.00 0.00 N ATOM 1196 CA ASP A 78 117.911 3.562 1.809 1.00 0.00 C ATOM 1197 C ASP A 78 116.988 4.474 2.621 1.00 0.00 C ATOM 1198 O ASP A 78 117.349 5.582 2.970 1.00 0.00 O ATOM 1199 CB ASP A 78 117.371 3.376 0.390 1.00 0.00 C ATOM 1200 CG ASP A 78 117.987 4.430 -0.533 1.00 0.00 C ATOM 1201 OD1 ASP A 78 118.203 5.539 -0.073 1.00 0.00 O ATOM 1202 OD2 ASP A 78 118.235 4.109 -1.684 1.00 0.00 O ATOM 0 H ASP A 78 117.475 1.471 1.846 1.00 0.00 H new ATOM 0 HA ASP A 78 118.896 4.029 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 78 117.609 2.376 0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 78 116.285 3.466 0.388 1.00 0.00 H new ATOM 1207 N ALA A 79 115.796 4.023 2.917 1.00 0.00 N ATOM 1208 CA ALA A 79 114.844 4.869 3.703 1.00 0.00 C ATOM 1209 C ALA A 79 115.517 5.390 4.976 1.00 0.00 C ATOM 1210 O ALA A 79 115.192 6.451 5.471 1.00 0.00 O ATOM 1211 CB ALA A 79 113.678 3.943 4.050 1.00 0.00 C ATOM 0 H ALA A 79 115.439 3.106 2.649 1.00 0.00 H new ATOM 0 HA ALA A 79 114.515 5.743 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 79 112.936 4.493 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 79 113.221 3.573 3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 79 114.044 3.101 4.637 1.00 0.00 H new ATOM 1217 N ALA A 80 116.458 4.654 5.502 1.00 0.00 N ATOM 1218 CA ALA A 80 117.159 5.107 6.736 1.00 0.00 C ATOM 1219 C ALA A 80 118.469 5.802 6.362 1.00 0.00 C ATOM 1220 O ALA A 80 118.948 6.667 7.070 1.00 0.00 O ATOM 1221 CB ALA A 80 117.436 3.831 7.527 1.00 0.00 C ATOM 0 H ALA A 80 116.772 3.758 5.130 1.00 0.00 H new ATOM 0 HA ALA A 80 116.569 5.820 7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 80 117.953 4.082 8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 80 116.494 3.335 7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 80 118.060 3.163 6.933 1.00 0.00 H new ATOM 1227 N ARG A 81 119.048 5.435 5.248 1.00 0.00 N ATOM 1228 CA ARG A 81 120.325 6.079 4.819 1.00 0.00 C ATOM 1229 C ARG A 81 120.155 7.601 4.795 1.00 0.00 C ATOM 1230 O ARG A 81 121.095 8.344 4.995 1.00 0.00 O ATOM 1231 CB ARG A 81 120.591 5.543 3.411 1.00 0.00 C ATOM 1232 CG ARG A 81 121.994 5.960 2.959 1.00 0.00 C ATOM 1233 CD ARG A 81 122.713 4.759 2.337 1.00 0.00 C ATOM 1234 NE ARG A 81 122.226 4.704 0.932 1.00 0.00 N ATOM 1235 CZ ARG A 81 123.081 4.662 -0.054 1.00 0.00 C ATOM 1236 NH1 ARG A 81 124.131 3.892 0.024 1.00 0.00 N ATOM 1237 NH2 ARG A 81 122.884 5.391 -1.119 1.00 0.00 N ATOM 0 H ARG A 81 118.692 4.717 4.617 1.00 0.00 H new ATOM 0 HA ARG A 81 121.151 5.858 5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 81 120.503 4.457 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 81 119.845 5.929 2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 81 121.927 6.772 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 81 122.563 6.337 3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 81 123.795 4.884 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 81 122.479 3.839 2.872 1.00 0.00 H new ATOM 0 HE ARG A 81 121.224 4.699 0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 81 124.285 3.322 0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 81 124.798 3.860 -0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 81 122.063 5.993 -1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 81 123.551 5.359 -1.890 1.00 0.00 H new ATOM 1251 N GLU A 82 118.955 8.064 4.564 1.00 0.00 N ATOM 1252 CA GLU A 82 118.711 9.535 4.539 1.00 0.00 C ATOM 1253 C GLU A 82 118.119 9.986 5.878 1.00 0.00 C ATOM 1254 O GLU A 82 118.304 11.109 6.304 1.00 0.00 O ATOM 1255 CB GLU A 82 117.708 9.754 3.406 1.00 0.00 C ATOM 1256 CG GLU A 82 118.464 9.969 2.092 1.00 0.00 C ATOM 1257 CD GLU A 82 119.052 8.640 1.618 1.00 0.00 C ATOM 1258 OE1 GLU A 82 118.388 7.628 1.785 1.00 0.00 O ATOM 1259 OE2 GLU A 82 120.154 8.653 1.096 1.00 0.00 O ATOM 0 H GLU A 82 118.133 7.486 4.391 1.00 0.00 H new ATOM 0 HA GLU A 82 119.626 10.106 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.046 8.893 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.081 10.618 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 82 117.791 10.372 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 82 119.259 10.701 2.233 1.00 0.00 H new ATOM 1266 N GLY A 83 117.413 9.111 6.545 1.00 0.00 N ATOM 1267 CA GLY A 83 116.811 9.474 7.860 1.00 0.00 C ATOM 1268 C GLY A 83 115.327 9.798 7.679 1.00 0.00 C ATOM 1269 O GLY A 83 114.825 10.764 8.218 1.00 0.00 O ATOM 0 H GLY A 83 117.227 8.158 6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 83 116.930 8.651 8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 83 117.331 10.333 8.284 1.00 0.00 H new ATOM 1273 N PHE A 84 114.619 8.990 6.934 1.00 0.00 N ATOM 1274 CA PHE A 84 113.162 9.248 6.730 1.00 0.00 C ATOM 1275 C PHE A 84 112.333 8.216 7.501 1.00 0.00 C ATOM 1276 O PHE A 84 112.100 7.119 7.035 1.00 0.00 O ATOM 1277 CB PHE A 84 112.933 9.104 5.227 1.00 0.00 C ATOM 1278 CG PHE A 84 111.665 9.863 4.834 1.00 0.00 C ATOM 1279 CD1 PHE A 84 111.935 11.269 4.879 1.00 0.00 C ATOM 1280 CD2 PHE A 84 111.244 10.848 3.911 1.00 0.00 C ATOM 1281 CE1 PHE A 84 110.758 11.038 4.172 1.00 0.00 C ATOM 1282 CE2 PHE A 84 111.366 11.481 5.144 1.00 0.00 C ATOM 1283 CZ PHE A 84 110.737 10.205 5.303 1.00 0.00 C ATOM 0 H PHE A 84 114.985 8.165 6.459 1.00 0.00 H new ATOM 0 HA PHE A 84 112.864 10.233 7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 84 113.790 9.495 4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 84 112.838 8.051 4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 84 112.618 12.027 5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 84 110.985 11.011 2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 84 110.201 11.324 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 84 111.713 12.367 5.654 1.00 0.00 H new ATOM 0 HZ PHE A 84 110.465 9.316 5.852 1.00 0.00 H new ATOM 1293 N LEU A 85 111.894 8.564 8.682 1.00 0.00 N ATOM 1294 CA LEU A 85 111.084 7.609 9.502 1.00 0.00 C ATOM 1295 C LEU A 85 109.678 7.448 8.913 1.00 0.00 C ATOM 1296 O LEU A 85 109.021 6.447 9.123 1.00 0.00 O ATOM 1297 CB LEU A 85 111.016 8.248 10.892 1.00 0.00 C ATOM 1298 CG LEU A 85 110.983 7.164 11.977 1.00 0.00 C ATOM 1299 CD1 LEU A 85 109.754 6.268 11.777 1.00 0.00 C ATOM 1300 CD2 LEU A 85 112.257 6.321 11.907 1.00 0.00 C ATOM 0 H LEU A 85 112.061 9.471 9.117 1.00 0.00 H new ATOM 0 HA LEU A 85 111.525 6.613 9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 85 111.878 8.897 11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 85 110.128 8.875 10.968 1.00 0.00 H new ATOM 0 HG LEU A 85 110.924 7.639 12.956 1.00 0.00 H new ATOM 0 HD11 LEU A 85 109.734 5.499 12.550 1.00 0.00 H new ATOM 0 HD12 LEU A 85 108.849 6.872 11.843 1.00 0.00 H new ATOM 0 HD13 LEU A 85 109.804 5.795 10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 85 112.228 5.553 12.680 1.00 0.00 H new ATOM 0 HD22 LEU A 85 112.327 5.848 10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 85 113.126 6.961 12.064 1.00 0.00 H new ATOM 1312 N ASP A 86 109.214 8.427 8.177 1.00 0.00 N ATOM 1313 CA ASP A 86 107.848 8.334 7.572 1.00 0.00 C ATOM 1314 C ASP A 86 107.753 7.116 6.645 1.00 0.00 C ATOM 1315 O ASP A 86 106.879 6.284 6.791 1.00 0.00 O ATOM 1316 CB ASP A 86 107.666 9.631 6.772 1.00 0.00 C ATOM 1317 CG ASP A 86 107.829 10.837 7.700 1.00 0.00 C ATOM 1318 OD1 ASP A 86 107.378 10.754 8.830 1.00 0.00 O ATOM 1319 OD2 ASP A 86 108.400 11.823 7.264 1.00 0.00 O ATOM 0 H ASP A 86 109.721 9.287 7.968 1.00 0.00 H new ATOM 0 HA ASP A 86 107.076 8.215 8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 86 108.399 9.678 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 86 106.680 9.648 6.308 1.00 0.00 H new ATOM 1324 N THR A 87 108.642 7.003 5.689 1.00 0.00 N ATOM 1325 CA THR A 87 108.588 5.834 4.755 1.00 0.00 C ATOM 1326 C THR A 87 108.762 4.528 5.534 1.00 0.00 C ATOM 1327 O THR A 87 108.149 3.525 5.225 1.00 0.00 O ATOM 1328 CB THR A 87 109.755 6.033 3.783 1.00 0.00 C ATOM 1329 OG1 THR A 87 109.620 7.288 3.130 1.00 0.00 O ATOM 1330 CG2 THR A 87 109.759 4.903 2.747 1.00 0.00 C ATOM 0 H THR A 87 109.398 7.665 5.515 1.00 0.00 H new ATOM 0 HA THR A 87 107.633 5.774 4.233 1.00 0.00 H new ATOM 0 HB THR A 87 110.695 6.015 4.334 1.00 0.00 H new ATOM 0 HG1 THR A 87 110.177 7.954 3.584 1.00 0.00 H new ATOM 0 HG21 THR A 87 110.590 5.046 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 87 109.870 3.945 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 87 108.820 4.914 2.193 1.00 0.00 H new ATOM 1338 N LEU A 88 109.592 4.533 6.544 1.00 0.00 N ATOM 1339 CA LEU A 88 109.808 3.292 7.345 1.00 0.00 C ATOM 1340 C LEU A 88 108.480 2.796 7.922 1.00 0.00 C ATOM 1341 O LEU A 88 108.140 1.632 7.814 1.00 0.00 O ATOM 1342 CB LEU A 88 110.759 3.704 8.471 1.00 0.00 C ATOM 1343 CG LEU A 88 111.810 2.613 8.675 1.00 0.00 C ATOM 1344 CD1 LEU A 88 112.967 2.832 7.700 1.00 0.00 C ATOM 1345 CD2 LEU A 88 112.338 2.675 10.110 1.00 0.00 C ATOM 0 H LEU A 88 110.130 5.344 6.849 1.00 0.00 H new ATOM 0 HA LEU A 88 110.217 2.480 6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 88 111.243 4.649 8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 88 110.200 3.863 9.393 1.00 0.00 H new ATOM 0 HG LEU A 88 111.360 1.637 8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 88 113.717 2.054 7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 88 112.594 2.790 6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 88 113.417 3.808 7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 88 113.087 1.897 10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 88 112.788 3.651 10.290 1.00 0.00 H new ATOM 0 HD23 LEU A 88 111.515 2.521 10.808 1.00 0.00 H new ATOM 1357 N VAL A 89 107.724 3.670 8.533 1.00 0.00 N ATOM 1358 CA VAL A 89 106.416 3.252 9.114 1.00 0.00 C ATOM 1359 C VAL A 89 105.511 2.690 8.012 1.00 0.00 C ATOM 1360 O VAL A 89 104.963 1.612 8.134 1.00 0.00 O ATOM 1361 CB VAL A 89 105.817 4.529 9.706 1.00 0.00 C ATOM 1362 CG1 VAL A 89 104.444 4.220 10.305 1.00 0.00 C ATOM 1363 CG2 VAL A 89 106.738 5.069 10.804 1.00 0.00 C ATOM 0 H VAL A 89 107.957 4.656 8.654 1.00 0.00 H new ATOM 0 HA VAL A 89 106.525 2.471 9.867 1.00 0.00 H new ATOM 0 HB VAL A 89 105.713 5.276 8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 89 104.018 5.130 10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 89 103.785 3.838 9.526 1.00 0.00 H new ATOM 0 HG13 VAL A 89 104.550 3.471 11.090 1.00 0.00 H new ATOM 0 HG21 VAL A 89 106.309 5.979 11.224 1.00 0.00 H new ATOM 0 HG22 VAL A 89 106.844 4.321 11.590 1.00 0.00 H new ATOM 0 HG23 VAL A 89 107.717 5.292 10.380 1.00 0.00 H new ATOM 1373 N VAL A 90 105.352 3.416 6.937 1.00 0.00 N ATOM 1374 CA VAL A 90 104.488 2.935 5.822 1.00 0.00 C ATOM 1375 C VAL A 90 104.936 1.540 5.368 1.00 0.00 C ATOM 1376 O VAL A 90 104.131 0.650 5.174 1.00 0.00 O ATOM 1377 CB VAL A 90 104.682 3.962 4.701 1.00 0.00 C ATOM 1378 CG1 VAL A 90 103.856 3.559 3.478 1.00 0.00 C ATOM 1379 CG2 VAL A 90 104.225 5.341 5.187 1.00 0.00 C ATOM 0 H VAL A 90 105.786 4.326 6.784 1.00 0.00 H new ATOM 0 HA VAL A 90 103.442 2.848 6.115 1.00 0.00 H new ATOM 0 HB VAL A 90 105.737 3.998 4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 90 103.998 4.293 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 90 104.179 2.579 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 90 102.801 3.518 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 90 104.363 6.072 4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 90 103.171 5.299 5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 90 104.815 5.635 6.055 1.00 0.00 H new ATOM 1389 N LEU A 91 106.217 1.347 5.201 1.00 0.00 N ATOM 1390 CA LEU A 91 106.728 0.013 4.762 1.00 0.00 C ATOM 1391 C LEU A 91 106.281 -1.078 5.742 1.00 0.00 C ATOM 1392 O LEU A 91 105.660 -2.051 5.363 1.00 0.00 O ATOM 1393 CB LEU A 91 108.253 0.148 4.778 1.00 0.00 C ATOM 1394 CG LEU A 91 108.783 0.181 3.344 1.00 0.00 C ATOM 1395 CD1 LEU A 91 108.754 1.618 2.821 1.00 0.00 C ATOM 1396 CD2 LEU A 91 110.223 -0.339 3.325 1.00 0.00 C ATOM 0 H LEU A 91 106.934 2.057 5.350 1.00 0.00 H new ATOM 0 HA LEU A 91 106.350 -0.268 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 91 108.542 1.058 5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 91 108.696 -0.687 5.320 1.00 0.00 H new ATOM 0 HG LEU A 91 108.158 -0.448 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 91 109.132 1.641 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 91 107.730 1.991 2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 91 109.380 2.248 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 91 110.604 -0.317 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 91 110.846 0.292 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 91 110.245 -1.363 3.699 1.00 0.00 H new ATOM 1408 N HIS A 92 106.601 -0.921 6.998 1.00 0.00 N ATOM 1409 CA HIS A 92 106.206 -1.945 8.009 1.00 0.00 C ATOM 1410 C HIS A 92 104.680 -2.022 8.133 1.00 0.00 C ATOM 1411 O HIS A 92 104.135 -3.024 8.558 1.00 0.00 O ATOM 1412 CB HIS A 92 106.824 -1.463 9.323 1.00 0.00 C ATOM 1413 CG HIS A 92 106.829 -2.591 10.318 1.00 0.00 C ATOM 1414 ND1 HIS A 92 108.001 -3.111 10.846 1.00 0.00 N ATOM 1415 CD2 HIS A 92 105.810 -3.313 10.887 1.00 0.00 C ATOM 1416 CE1 HIS A 92 107.660 -4.101 11.691 1.00 0.00 C ATOM 1417 NE2 HIS A 92 106.337 -4.265 11.754 1.00 0.00 N ATOM 0 H HIS A 92 107.120 -0.125 7.369 1.00 0.00 H new ATOM 0 HA HIS A 92 106.549 -2.942 7.734 1.00 0.00 H new ATOM 0 HB2 HIS A 92 107.841 -1.111 9.151 1.00 0.00 H new ATOM 0 HB3 HIS A 92 106.257 -0.619 9.716 1.00 0.00 H new ATOM 0 HD2 HIS A 92 104.758 -3.165 10.691 1.00 0.00 H new ATOM 0 HE1 HIS A 92 108.371 -4.691 12.250 1.00 0.00 H new ATOM 0 HE2 HIS A 92 105.823 -4.943 12.317 1.00 0.00 H new ATOM 1425 N ARG A 93 103.987 -0.976 7.774 1.00 0.00 N ATOM 1426 CA ARG A 93 102.498 -0.992 7.880 1.00 0.00 C ATOM 1427 C ARG A 93 101.883 -1.766 6.709 1.00 0.00 C ATOM 1428 O ARG A 93 100.860 -2.407 6.849 1.00 0.00 O ATOM 1429 CB ARG A 93 102.081 0.478 7.826 1.00 0.00 C ATOM 1430 CG ARG A 93 101.844 0.996 9.246 1.00 0.00 C ATOM 1431 CD ARG A 93 101.067 2.314 9.185 1.00 0.00 C ATOM 1432 NE ARG A 93 100.862 2.704 10.607 1.00 0.00 N ATOM 1433 CZ ARG A 93 99.836 3.437 10.940 1.00 0.00 C ATOM 1434 NH1 ARG A 93 99.492 4.454 10.197 1.00 0.00 N ATOM 1435 NH2 ARG A 93 99.153 3.154 12.015 1.00 0.00 N ATOM 0 H ARG A 93 104.387 -0.110 7.412 1.00 0.00 H new ATOM 0 HA ARG A 93 102.159 -1.482 8.793 1.00 0.00 H new ATOM 0 HB2 ARG A 93 102.856 1.069 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 93 101.174 0.588 7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 93 101.287 0.259 9.825 1.00 0.00 H new ATOM 0 HG3 ARG A 93 102.797 1.146 9.754 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.625 3.077 8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 93 100.115 2.188 8.669 1.00 0.00 H new ATOM 0 HE ARG A 93 101.524 2.398 11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 93 100.026 4.675 9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 93 98.690 5.027 10.457 1.00 0.00 H new ATOM 0 HH21 ARG A 93 99.421 2.359 12.595 1.00 0.00 H new ATOM 0 HH22 ARG A 93 98.351 3.728 12.275 1.00 0.00 H new ATOM 1449 N ALA A 94 102.490 -1.700 5.555 1.00 0.00 N ATOM 1450 CA ALA A 94 101.938 -2.416 4.379 1.00 0.00 C ATOM 1451 C ALA A 94 102.651 -3.756 4.167 1.00 0.00 C ATOM 1452 O ALA A 94 102.923 -4.152 3.050 1.00 0.00 O ATOM 1453 CB ALA A 94 102.186 -1.480 3.196 1.00 0.00 C ATOM 0 H ALA A 94 103.348 -1.177 5.380 1.00 0.00 H new ATOM 0 HA ALA A 94 100.881 -2.649 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 94 101.805 -1.938 2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 94 101.674 -0.533 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 94 103.256 -1.300 3.092 1.00 0.00 H new ATOM 1459 N GLY A 95 102.952 -4.459 5.227 1.00 0.00 N ATOM 1460 CA GLY A 95 103.641 -5.775 5.083 1.00 0.00 C ATOM 1461 C GLY A 95 105.016 -5.575 4.440 1.00 0.00 C ATOM 1462 O GLY A 95 105.125 -5.289 3.263 1.00 0.00 O ATOM 0 H GLY A 95 102.750 -4.178 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 95 103.752 -6.246 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 95 103.038 -6.446 4.472 1.00 0.00 H new ATOM 1466 N ALA A 96 106.062 -5.727 5.205 1.00 0.00 N ATOM 1467 CA ALA A 96 107.435 -5.552 4.645 1.00 0.00 C ATOM 1468 C ALA A 96 108.478 -6.060 5.644 1.00 0.00 C ATOM 1469 O ALA A 96 108.433 -5.740 6.816 1.00 0.00 O ATOM 1470 CB ALA A 96 107.591 -4.045 4.433 1.00 0.00 C ATOM 0 H ALA A 96 106.026 -5.965 6.196 1.00 0.00 H new ATOM 0 HA ALA A 96 107.577 -6.110 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 96 108.579 -3.836 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 96 106.827 -3.694 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 96 107.478 -3.530 5.387 1.00 0.00 H new ATOM 1476 N ARG A 97 109.418 -6.847 5.192 1.00 0.00 N ATOM 1477 CA ARG A 97 110.465 -7.370 6.121 1.00 0.00 C ATOM 1478 C ARG A 97 111.477 -6.268 6.446 1.00 0.00 C ATOM 1479 O ARG A 97 111.857 -5.493 5.590 1.00 0.00 O ATOM 1480 CB ARG A 97 111.138 -8.513 5.361 1.00 0.00 C ATOM 1481 CG ARG A 97 112.170 -9.195 6.264 1.00 0.00 C ATOM 1482 CD ARG A 97 113.555 -9.111 5.617 1.00 0.00 C ATOM 1483 NE ARG A 97 113.527 -10.120 4.522 1.00 0.00 N ATOM 1484 CZ ARG A 97 114.470 -11.020 4.440 1.00 0.00 C ATOM 1485 NH1 ARG A 97 114.901 -11.614 5.520 1.00 0.00 N ATOM 1486 NH2 ARG A 97 114.979 -11.328 3.279 1.00 0.00 N ATOM 0 H ARG A 97 109.507 -7.150 4.222 1.00 0.00 H new ATOM 0 HA ARG A 97 110.046 -7.707 7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 97 110.390 -9.236 5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.623 -8.130 4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.185 -8.715 7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 97 111.895 -10.238 6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.750 -8.111 5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 97 114.342 -9.332 6.338 1.00 0.00 H new ATOM 0 HE ARG A 97 112.772 -10.108 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 97 114.501 -11.375 6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 97 115.637 -12.317 5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.641 -10.866 2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 97 115.715 -12.031 3.215 1.00 0.00 H new ATOM 1500 N LEU A 98 111.912 -6.188 7.677 1.00 0.00 N ATOM 1501 CA LEU A 98 112.895 -5.126 8.054 1.00 0.00 C ATOM 1502 C LEU A 98 114.101 -5.742 8.772 1.00 0.00 C ATOM 1503 O LEU A 98 114.833 -5.062 9.464 1.00 0.00 O ATOM 1504 CB LEU A 98 112.137 -4.194 9.006 1.00 0.00 C ATOM 1505 CG LEU A 98 110.770 -3.838 8.413 1.00 0.00 C ATOM 1506 CD1 LEU A 98 109.705 -4.772 8.990 1.00 0.00 C ATOM 1507 CD2 LEU A 98 110.421 -2.392 8.768 1.00 0.00 C ATOM 0 H LEU A 98 111.631 -6.809 8.436 1.00 0.00 H new ATOM 0 HA LEU A 98 113.276 -4.599 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 98 112.008 -4.677 9.975 1.00 0.00 H new ATOM 0 HB3 LEU A 98 112.716 -3.286 9.177 1.00 0.00 H new ATOM 0 HG LEU A 98 110.805 -3.950 7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.732 -4.519 8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 98 109.952 -5.804 8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.671 -4.660 10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.448 -2.138 8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.386 -2.282 9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 98 111.179 -1.724 8.359 1.00 0.00 H new ATOM 1519 N ASP A 99 114.315 -7.023 8.616 1.00 0.00 N ATOM 1520 CA ASP A 99 115.475 -7.674 9.296 1.00 0.00 C ATOM 1521 C ASP A 99 116.375 -8.368 8.270 1.00 0.00 C ATOM 1522 O ASP A 99 116.645 -9.549 8.366 1.00 0.00 O ATOM 1523 CB ASP A 99 114.852 -8.700 10.245 1.00 0.00 C ATOM 1524 CG ASP A 99 113.998 -9.689 9.447 1.00 0.00 C ATOM 1525 OD1 ASP A 99 114.539 -10.690 9.008 1.00 0.00 O ATOM 1526 OD2 ASP A 99 112.818 -9.428 9.288 1.00 0.00 O ATOM 0 H ASP A 99 113.739 -7.645 8.049 1.00 0.00 H new ATOM 0 HA ASP A 99 116.099 -6.954 9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 99 115.635 -9.233 10.784 1.00 0.00 H new ATOM 0 HB3 ASP A 99 114.239 -8.194 10.991 1.00 0.00 H new ATOM 1531 N VAL A 100 116.844 -7.643 7.289 1.00 0.00 N ATOM 1532 CA VAL A 100 117.727 -8.264 6.260 1.00 0.00 C ATOM 1533 C VAL A 100 119.147 -7.696 6.362 1.00 0.00 C ATOM 1534 O VAL A 100 119.373 -6.677 6.986 1.00 0.00 O ATOM 1535 CB VAL A 100 117.097 -7.895 4.914 1.00 0.00 C ATOM 1536 CG1 VAL A 100 117.175 -6.380 4.699 1.00 0.00 C ATOM 1537 CG2 VAL A 100 117.854 -8.614 3.793 1.00 0.00 C ATOM 0 H VAL A 100 116.654 -6.650 7.156 1.00 0.00 H new ATOM 0 HA VAL A 100 117.808 -9.343 6.389 1.00 0.00 H new ATOM 0 HB VAL A 100 116.050 -8.200 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 100 116.725 -6.125 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 100 116.637 -5.871 5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 100 118.218 -6.065 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 100 117.411 -8.356 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 100 118.900 -8.307 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 100 117.791 -9.692 3.944 1.00 0.00 H new ATOM 1547 N CYS A 101 120.098 -8.343 5.747 1.00 0.00 N ATOM 1548 CA CYS A 101 121.501 -7.841 5.799 1.00 0.00 C ATOM 1549 C CYS A 101 121.884 -7.231 4.448 1.00 0.00 C ATOM 1550 O CYS A 101 121.379 -7.626 3.415 1.00 0.00 O ATOM 1551 CB CYS A 101 122.353 -9.076 6.092 1.00 0.00 C ATOM 1552 SG CYS A 101 121.954 -9.705 7.741 1.00 0.00 S ATOM 0 H CYS A 101 119.964 -9.199 5.209 1.00 0.00 H new ATOM 0 HA CYS A 101 121.640 -7.066 6.553 1.00 0.00 H new ATOM 0 HB2 CYS A 101 122.167 -9.845 5.343 1.00 0.00 H new ATOM 0 HB3 CYS A 101 123.412 -8.823 6.034 1.00 0.00 H new ATOM 0 HG CYS A 101 122.676 -10.757 7.991 1.00 0.00 H new ATOM 1558 N ASP A 102 122.769 -6.271 4.445 1.00 0.00 N ATOM 1559 CA ASP A 102 123.176 -5.640 3.156 1.00 0.00 C ATOM 1560 C ASP A 102 124.179 -6.533 2.420 1.00 0.00 C ATOM 1561 O ASP A 102 125.286 -6.126 2.127 1.00 0.00 O ATOM 1562 CB ASP A 102 123.824 -4.310 3.546 1.00 0.00 C ATOM 1563 CG ASP A 102 124.180 -3.527 2.280 1.00 0.00 C ATOM 1564 OD1 ASP A 102 123.312 -2.839 1.770 1.00 0.00 O ATOM 1565 OD2 ASP A 102 125.314 -3.631 1.842 1.00 0.00 O ATOM 0 H ASP A 102 123.227 -5.897 5.276 1.00 0.00 H new ATOM 0 HA ASP A 102 122.329 -5.496 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 102 123.142 -3.729 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 102 124.720 -4.490 4.140 1.00 0.00 H new ATOM 1570 N ALA A 103 123.793 -7.746 2.115 1.00 0.00 N ATOM 1571 CA ALA A 103 124.707 -8.686 1.391 1.00 0.00 C ATOM 1572 C ALA A 103 125.929 -9.025 2.252 1.00 0.00 C ATOM 1573 O ALA A 103 126.060 -10.127 2.749 1.00 0.00 O ATOM 1574 CB ALA A 103 125.133 -7.946 0.117 1.00 0.00 C ATOM 0 H ALA A 103 122.875 -8.130 2.338 1.00 0.00 H new ATOM 0 HA ALA A 103 124.213 -9.631 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 103 125.806 -8.578 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 103 124.251 -7.711 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 103 125.645 -7.023 0.387 1.00 0.00 H new ATOM 1580 N TRP A 104 126.824 -8.092 2.422 1.00 0.00 N ATOM 1581 CA TRP A 104 128.045 -8.361 3.243 1.00 0.00 C ATOM 1582 C TRP A 104 127.663 -8.604 4.706 1.00 0.00 C ATOM 1583 O TRP A 104 127.991 -9.625 5.278 1.00 0.00 O ATOM 1584 CB TRP A 104 128.905 -7.100 3.116 1.00 0.00 C ATOM 1585 CG TRP A 104 129.082 -6.734 1.672 1.00 0.00 C ATOM 1586 CD1 TRP A 104 129.298 -5.479 1.218 1.00 0.00 C ATOM 1587 CD2 TRP A 104 129.062 -7.597 0.493 1.00 0.00 C ATOM 1588 NE1 TRP A 104 129.412 -5.512 -0.160 1.00 0.00 N ATOM 1589 CE2 TRP A 104 129.273 -6.794 -0.654 1.00 0.00 C ATOM 1590 CE3 TRP A 104 128.883 -8.981 0.304 1.00 0.00 C ATOM 1591 CZ2 TRP A 104 129.308 -7.342 -1.937 1.00 0.00 C ATOM 1592 CZ3 TRP A 104 128.916 -9.535 -0.986 1.00 0.00 C ATOM 1593 CH2 TRP A 104 129.128 -8.717 -2.104 1.00 0.00 C ATOM 0 H TRP A 104 126.765 -7.153 2.029 1.00 0.00 H new ATOM 0 HA TRP A 104 128.576 -9.250 2.902 1.00 0.00 H new ATOM 0 HB2 TRP A 104 128.435 -6.276 3.652 1.00 0.00 H new ATOM 0 HB3 TRP A 104 129.878 -7.267 3.578 1.00 0.00 H new ATOM 0 HD1 TRP A 104 129.370 -4.594 1.832 1.00 0.00 H new ATOM 0 HE1 TRP A 104 129.578 -4.690 -0.740 1.00 0.00 H new ATOM 0 HE3 TRP A 104 128.719 -9.621 1.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 129.473 -6.707 -2.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 128.777 -10.598 -1.117 1.00 0.00 H new ATOM 0 HH2 TRP A 104 129.152 -9.149 -3.093 1.00 0.00 H new ATOM 1604 N GLY A 105 126.976 -7.676 5.318 1.00 0.00 N ATOM 1605 CA GLY A 105 126.580 -7.861 6.744 1.00 0.00 C ATOM 1606 C GLY A 105 126.042 -6.544 7.313 1.00 0.00 C ATOM 1607 O GLY A 105 125.228 -6.538 8.217 1.00 0.00 O ATOM 0 H GLY A 105 126.673 -6.800 4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 105 125.819 -8.638 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 105 127.437 -8.196 7.328 1.00 0.00 H new ATOM 1611 N ARG A 106 126.490 -5.430 6.797 1.00 0.00 N ATOM 1612 CA ARG A 106 126.002 -4.112 7.313 1.00 0.00 C ATOM 1613 C ARG A 106 124.470 -4.065 7.296 1.00 0.00 C ATOM 1614 O ARG A 106 123.855 -3.938 6.254 1.00 0.00 O ATOM 1615 CB ARG A 106 126.582 -3.066 6.355 1.00 0.00 C ATOM 1616 CG ARG A 106 127.245 -1.945 7.159 1.00 0.00 C ATOM 1617 CD ARG A 106 128.628 -2.401 7.632 1.00 0.00 C ATOM 1618 NE ARG A 106 128.918 -1.568 8.833 1.00 0.00 N ATOM 1619 CZ ARG A 106 129.829 -1.949 9.686 1.00 0.00 C ATOM 1620 NH1 ARG A 106 130.969 -2.421 9.259 1.00 0.00 N ATOM 1621 NH2 ARG A 106 129.602 -1.857 10.969 1.00 0.00 N ATOM 0 H ARG A 106 127.172 -5.373 6.041 1.00 0.00 H new ATOM 0 HA ARG A 106 126.312 -3.937 8.343 1.00 0.00 H new ATOM 0 HB2 ARG A 106 127.311 -3.531 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 106 125.792 -2.657 5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 106 127.337 -1.049 6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 106 126.625 -1.682 8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 106 128.631 -3.463 7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 106 129.380 -2.251 6.857 1.00 0.00 H new ATOM 0 HE ARG A 106 128.405 -0.700 8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 106 131.148 -2.492 8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 106 131.680 -2.718 9.927 1.00 0.00 H new ATOM 0 HH21 ARG A 106 128.712 -1.487 11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 106 130.314 -2.155 11.636 1.00 0.00 H new ATOM 1635 N LEU A 107 123.849 -4.168 8.441 1.00 0.00 N ATOM 1636 CA LEU A 107 122.356 -4.130 8.492 1.00 0.00 C ATOM 1637 C LEU A 107 121.852 -2.701 8.252 1.00 0.00 C ATOM 1638 O LEU A 107 122.630 -1.768 8.220 1.00 0.00 O ATOM 1639 CB LEU A 107 121.992 -4.598 9.902 1.00 0.00 C ATOM 1640 CG LEU A 107 121.653 -6.089 9.871 1.00 0.00 C ATOM 1641 CD1 LEU A 107 122.905 -6.905 10.193 1.00 0.00 C ATOM 1642 CD2 LEU A 107 120.570 -6.388 10.913 1.00 0.00 C ATOM 0 H LEU A 107 124.310 -4.277 9.344 1.00 0.00 H new ATOM 0 HA LEU A 107 121.903 -4.759 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 107 122.824 -4.417 10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 107 121.142 -4.028 10.278 1.00 0.00 H new ATOM 0 HG LEU A 107 121.289 -6.357 8.879 1.00 0.00 H new ATOM 0 HD11 LEU A 107 122.663 -7.967 10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 107 123.677 -6.693 9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 107 123.269 -6.637 11.185 1.00 0.00 H new ATOM 0 HD21 LEU A 107 120.328 -7.451 10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 107 120.935 -6.119 11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 107 119.676 -5.807 10.685 1.00 0.00 H new ATOM 1654 N PRO A 108 120.558 -2.576 8.084 1.00 0.00 N ATOM 1655 CA PRO A 108 119.949 -1.244 7.840 1.00 0.00 C ATOM 1656 C PRO A 108 119.944 -0.415 9.127 1.00 0.00 C ATOM 1657 O PRO A 108 120.252 0.760 9.121 1.00 0.00 O ATOM 1658 CB PRO A 108 118.526 -1.574 7.401 1.00 0.00 C ATOM 1659 CG PRO A 108 118.237 -2.916 7.995 1.00 0.00 C ATOM 1660 CD PRO A 108 119.551 -3.647 8.105 1.00 0.00 C ATOM 0 HA PRO A 108 120.491 -0.654 7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 108 117.819 -0.824 7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 108 118.444 -1.598 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 108 117.772 -2.811 8.975 1.00 0.00 H new ATOM 0 HG3 PRO A 108 117.539 -3.472 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 108 119.608 -4.230 9.024 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.691 -4.343 7.278 1.00 0.00 H new ATOM 1668 N VAL A 109 119.597 -1.021 10.231 1.00 0.00 N ATOM 1669 CA VAL A 109 119.572 -0.270 11.522 1.00 0.00 C ATOM 1670 C VAL A 109 120.961 0.302 11.826 1.00 0.00 C ATOM 1671 O VAL A 109 121.093 1.387 12.360 1.00 0.00 O ATOM 1672 CB VAL A 109 119.168 -1.307 12.575 1.00 0.00 C ATOM 1673 CG1 VAL A 109 120.204 -2.433 12.621 1.00 0.00 C ATOM 1674 CG2 VAL A 109 119.087 -0.636 13.948 1.00 0.00 C ATOM 0 H VAL A 109 119.330 -2.003 10.296 1.00 0.00 H new ATOM 0 HA VAL A 109 118.882 0.574 11.500 1.00 0.00 H new ATOM 0 HB VAL A 109 118.195 -1.723 12.312 1.00 0.00 H new ATOM 0 HG11 VAL A 109 119.911 -3.167 13.372 1.00 0.00 H new ATOM 0 HG12 VAL A 109 120.261 -2.915 11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 109 121.179 -2.020 12.879 1.00 0.00 H new ATOM 0 HG21 VAL A 109 118.800 -1.374 14.697 1.00 0.00 H new ATOM 0 HG22 VAL A 109 120.060 -0.217 14.206 1.00 0.00 H new ATOM 0 HG23 VAL A 109 118.344 0.161 13.920 1.00 0.00 H new ATOM 1684 N ASP A 110 121.995 -0.420 11.485 1.00 0.00 N ATOM 1685 CA ASP A 110 123.378 0.077 11.748 1.00 0.00 C ATOM 1686 C ASP A 110 123.664 1.319 10.898 1.00 0.00 C ATOM 1687 O ASP A 110 124.188 2.304 11.380 1.00 0.00 O ATOM 1688 CB ASP A 110 124.300 -1.074 11.343 1.00 0.00 C ATOM 1689 CG ASP A 110 124.393 -2.084 12.488 1.00 0.00 C ATOM 1690 OD1 ASP A 110 125.267 -1.923 13.323 1.00 0.00 O ATOM 1691 OD2 ASP A 110 123.590 -3.001 12.509 1.00 0.00 O ATOM 0 H ASP A 110 121.942 -1.334 11.035 1.00 0.00 H new ATOM 0 HA ASP A 110 123.521 0.364 12.790 1.00 0.00 H new ATOM 0 HB2 ASP A 110 123.918 -1.561 10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 110 125.291 -0.691 11.101 1.00 0.00 H new ATOM 1696 N LEU A 111 123.324 1.277 9.637 1.00 0.00 N ATOM 1697 CA LEU A 111 123.577 2.453 8.752 1.00 0.00 C ATOM 1698 C LEU A 111 122.816 3.677 9.268 1.00 0.00 C ATOM 1699 O LEU A 111 123.219 4.804 9.057 1.00 0.00 O ATOM 1700 CB LEU A 111 123.051 2.035 7.378 1.00 0.00 C ATOM 1701 CG LEU A 111 123.770 2.834 6.290 1.00 0.00 C ATOM 1702 CD1 LEU A 111 123.621 2.118 4.946 1.00 0.00 C ATOM 1703 CD2 LEU A 111 123.153 4.231 6.193 1.00 0.00 C ATOM 0 H LEU A 111 122.882 0.479 9.181 1.00 0.00 H new ATOM 0 HA LEU A 111 124.632 2.726 8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 111 123.211 0.968 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 111 121.976 2.208 7.321 1.00 0.00 H new ATOM 0 HG LEU A 111 124.827 2.918 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 111 124.134 2.688 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 111 124.059 1.122 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 111 122.564 2.033 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 111 123.665 4.802 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 111 122.096 4.145 5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 111 123.259 4.743 7.150 1.00 0.00 H new ATOM 1715 N ALA A 112 121.719 3.463 9.943 1.00 0.00 N ATOM 1716 CA ALA A 112 120.931 4.612 10.475 1.00 0.00 C ATOM 1717 C ALA A 112 121.741 5.360 11.536 1.00 0.00 C ATOM 1718 O ALA A 112 122.085 6.514 11.370 1.00 0.00 O ATOM 1719 CB ALA A 112 119.682 3.986 11.095 1.00 0.00 C ATOM 0 H ALA A 112 121.334 2.541 10.149 1.00 0.00 H new ATOM 0 HA ALA A 112 120.679 5.335 9.699 1.00 0.00 H new ATOM 0 HB1 ALA A 112 119.049 4.771 11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 112 119.130 3.441 10.329 1.00 0.00 H new ATOM 0 HB3 ALA A 112 119.975 3.299 11.889 1.00 0.00 H new ATOM 1725 N GLU A 113 122.045 4.711 12.629 1.00 0.00 N ATOM 1726 CA GLU A 113 122.829 5.379 13.706 1.00 0.00 C ATOM 1727 C GLU A 113 124.131 5.962 13.146 1.00 0.00 C ATOM 1728 O GLU A 113 124.702 6.876 13.708 1.00 0.00 O ATOM 1729 CB GLU A 113 123.132 4.274 14.720 1.00 0.00 C ATOM 1730 CG GLU A 113 121.899 4.026 15.595 1.00 0.00 C ATOM 1731 CD GLU A 113 122.279 4.161 17.072 1.00 0.00 C ATOM 1732 OE1 GLU A 113 123.407 3.838 17.405 1.00 0.00 O ATOM 1733 OE2 GLU A 113 121.435 4.585 17.843 1.00 0.00 O ATOM 0 H GLU A 113 121.783 3.744 12.822 1.00 0.00 H new ATOM 0 HA GLU A 113 122.281 6.209 14.153 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.412 3.357 14.201 1.00 0.00 H new ATOM 0 HB3 GLU A 113 123.980 4.560 15.342 1.00 0.00 H new ATOM 0 HG2 GLU A 113 121.114 4.740 15.345 1.00 0.00 H new ATOM 0 HG3 GLU A 113 121.498 3.031 15.402 1.00 0.00 H new ATOM 1740 N GLU A 114 124.608 5.437 12.048 1.00 0.00 N ATOM 1741 CA GLU A 114 125.876 5.959 11.459 1.00 0.00 C ATOM 1742 C GLU A 114 125.673 7.371 10.904 1.00 0.00 C ATOM 1743 O GLU A 114 126.521 8.230 11.048 1.00 0.00 O ATOM 1744 CB GLU A 114 126.221 4.988 10.329 1.00 0.00 C ATOM 1745 CG GLU A 114 126.541 3.611 10.915 1.00 0.00 C ATOM 1746 CD GLU A 114 128.051 3.480 11.116 1.00 0.00 C ATOM 1747 OE1 GLU A 114 128.719 3.062 10.184 1.00 0.00 O ATOM 1748 OE2 GLU A 114 128.515 3.800 12.199 1.00 0.00 O ATOM 0 H GLU A 114 124.175 4.670 11.534 1.00 0.00 H new ATOM 0 HA GLU A 114 126.671 6.024 12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 114 125.386 4.913 9.633 1.00 0.00 H new ATOM 0 HB3 GLU A 114 127.075 5.361 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 114 126.024 3.480 11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 114 126.183 2.828 10.247 1.00 0.00 H new ATOM 1755 N GLN A 115 124.560 7.618 10.265 1.00 0.00 N ATOM 1756 CA GLN A 115 124.312 8.976 9.695 1.00 0.00 C ATOM 1757 C GLN A 115 123.576 9.865 10.707 1.00 0.00 C ATOM 1758 O GLN A 115 123.202 10.980 10.403 1.00 0.00 O ATOM 1759 CB GLN A 115 123.445 8.731 8.460 1.00 0.00 C ATOM 1760 CG GLN A 115 124.333 8.673 7.214 1.00 0.00 C ATOM 1761 CD GLN A 115 124.915 7.266 7.062 1.00 0.00 C ATOM 1762 OE1 GLN A 115 125.397 6.688 8.016 1.00 0.00 O ATOM 1763 NE2 GLN A 115 124.891 6.686 5.893 1.00 0.00 N ATOM 0 H GLN A 115 123.813 6.940 10.113 1.00 0.00 H new ATOM 0 HA GLN A 115 125.240 9.493 9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 115 122.893 7.797 8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 115 122.708 9.527 8.357 1.00 0.00 H new ATOM 0 HG2 GLN A 115 123.753 8.935 6.329 1.00 0.00 H new ATOM 0 HG3 GLN A 115 125.138 9.403 7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 115 124.487 7.170 5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 115 125.277 5.748 5.781 1.00 0.00 H new ATOM 1772 N GLY A 116 123.372 9.386 11.907 1.00 0.00 N ATOM 1773 CA GLY A 116 122.670 10.213 12.933 1.00 0.00 C ATOM 1774 C GLY A 116 121.155 10.029 12.809 1.00 0.00 C ATOM 1775 O GLY A 116 120.393 10.958 12.993 1.00 0.00 O ATOM 0 H GLY A 116 123.661 8.459 12.220 1.00 0.00 H new ATOM 0 HA2 GLY A 116 122.999 9.924 13.931 1.00 0.00 H new ATOM 0 HA3 GLY A 116 122.929 11.264 12.804 1.00 0.00 H new ATOM 1779 N HIS A 117 120.713 8.838 12.506 1.00 0.00 N ATOM 1780 CA HIS A 117 119.245 8.594 12.380 1.00 0.00 C ATOM 1781 C HIS A 117 118.777 7.663 13.499 1.00 0.00 C ATOM 1782 O HIS A 117 118.187 6.629 13.255 1.00 0.00 O ATOM 1783 CB HIS A 117 119.059 7.932 11.013 1.00 0.00 C ATOM 1784 CG HIS A 117 119.561 8.853 9.934 1.00 0.00 C ATOM 1785 ND1 HIS A 117 119.404 10.228 10.005 1.00 0.00 N ATOM 1786 CD2 HIS A 117 120.213 8.611 8.752 1.00 0.00 C ATOM 1787 CE1 HIS A 117 119.949 10.756 8.894 1.00 0.00 C ATOM 1788 NE2 HIS A 117 120.456 9.814 8.095 1.00 0.00 N ATOM 0 H HIS A 117 121.304 8.023 12.340 1.00 0.00 H new ATOM 0 HA HIS A 117 118.664 9.513 12.461 1.00 0.00 H new ATOM 0 HB2 HIS A 117 119.600 6.986 10.979 1.00 0.00 H new ATOM 0 HB3 HIS A 117 118.006 7.703 10.849 1.00 0.00 H new ATOM 0 HD2 HIS A 117 120.495 7.635 8.386 1.00 0.00 H new ATOM 0 HE1 HIS A 117 119.973 11.813 8.675 1.00 0.00 H new ATOM 0 HE2 HIS A 117 120.921 9.947 7.197 1.00 0.00 H new ATOM 1796 N ARG A 118 119.038 8.026 14.729 1.00 0.00 N ATOM 1797 CA ARG A 118 118.610 7.169 15.875 1.00 0.00 C ATOM 1798 C ARG A 118 117.121 6.841 15.755 1.00 0.00 C ATOM 1799 O ARG A 118 116.669 5.794 16.177 1.00 0.00 O ATOM 1800 CB ARG A 118 118.873 8.013 17.123 1.00 0.00 C ATOM 1801 CG ARG A 118 120.177 7.558 17.784 1.00 0.00 C ATOM 1802 CD ARG A 118 121.366 8.239 17.098 1.00 0.00 C ATOM 1803 NE ARG A 118 121.858 9.246 18.081 1.00 0.00 N ATOM 1804 CZ ARG A 118 122.745 10.134 17.718 1.00 0.00 C ATOM 1805 NH1 ARG A 118 123.749 9.782 16.964 1.00 0.00 N ATOM 1806 NH2 ARG A 118 122.626 11.373 18.111 1.00 0.00 N ATOM 0 H ARG A 118 119.530 8.881 14.989 1.00 0.00 H new ATOM 0 HA ARG A 118 119.146 6.220 15.906 1.00 0.00 H new ATOM 0 HB2 ARG A 118 118.938 9.067 16.854 1.00 0.00 H new ATOM 0 HB3 ARG A 118 118.044 7.913 17.824 1.00 0.00 H new ATOM 0 HG2 ARG A 118 120.165 7.807 18.845 1.00 0.00 H new ATOM 0 HG3 ARG A 118 120.274 6.475 17.712 1.00 0.00 H new ATOM 0 HD2 ARG A 118 122.144 7.517 16.850 1.00 0.00 H new ATOM 0 HD3 ARG A 118 121.063 8.714 16.165 1.00 0.00 H new ATOM 0 HE ARG A 118 121.502 9.242 19.037 1.00 0.00 H new ATOM 0 HH11 ARG A 118 123.842 8.814 16.658 1.00 0.00 H new ATOM 0 HH12 ARG A 118 124.442 10.475 16.681 1.00 0.00 H new ATOM 0 HH21 ARG A 118 121.841 11.648 18.701 1.00 0.00 H new ATOM 0 HH22 ARG A 118 123.318 12.067 17.828 1.00 0.00 H new ATOM 1820 N ASP A 119 116.358 7.727 15.175 1.00 0.00 N ATOM 1821 CA ASP A 119 114.899 7.468 15.016 1.00 0.00 C ATOM 1822 C ASP A 119 114.686 6.237 14.132 1.00 0.00 C ATOM 1823 O ASP A 119 113.834 5.411 14.398 1.00 0.00 O ATOM 1824 CB ASP A 119 114.343 8.721 14.336 1.00 0.00 C ATOM 1825 CG ASP A 119 112.857 8.870 14.671 1.00 0.00 C ATOM 1826 OD1 ASP A 119 112.472 8.477 15.760 1.00 0.00 O ATOM 1827 OD2 ASP A 119 112.130 9.376 13.832 1.00 0.00 O ATOM 0 H ASP A 119 116.683 8.620 14.804 1.00 0.00 H new ATOM 0 HA ASP A 119 114.404 7.272 15.967 1.00 0.00 H new ATOM 0 HB2 ASP A 119 114.892 9.602 14.670 1.00 0.00 H new ATOM 0 HB3 ASP A 119 114.478 8.651 13.257 1.00 0.00 H new ATOM 1832 N ILE A 120 115.464 6.105 13.089 1.00 0.00 N ATOM 1833 CA ILE A 120 115.309 4.922 12.191 1.00 0.00 C ATOM 1834 C ILE A 120 115.914 3.686 12.861 1.00 0.00 C ATOM 1835 O ILE A 120 115.420 2.585 12.722 1.00 0.00 O ATOM 1836 CB ILE A 120 116.090 5.234 10.902 1.00 0.00 C ATOM 1837 CG1 ILE A 120 115.870 6.690 10.441 1.00 0.00 C ATOM 1838 CG2 ILE A 120 115.628 4.277 9.799 1.00 0.00 C ATOM 1839 CD1 ILE A 120 114.513 6.836 9.752 1.00 0.00 C ATOM 0 H ILE A 120 116.197 6.762 12.821 1.00 0.00 H new ATOM 0 HA ILE A 120 114.258 4.726 11.980 1.00 0.00 H new ATOM 0 HB ILE A 120 117.153 5.104 11.105 1.00 0.00 H new ATOM 0 HG12 ILE A 120 115.923 7.361 11.299 1.00 0.00 H new ATOM 0 HG13 ILE A 120 116.665 6.985 9.756 1.00 0.00 H new ATOM 0 HG21 ILE A 120 116.175 4.489 8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 120 115.819 3.249 10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 120 114.560 4.411 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 120 114.376 7.869 9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 120 114.474 6.180 8.882 1.00 0.00 H new ATOM 0 HD13 ILE A 120 113.720 6.562 10.448 1.00 0.00 H new ATOM 1851 N ALA A 121 116.993 3.867 13.576 1.00 0.00 N ATOM 1852 CA ALA A 121 117.658 2.713 14.249 1.00 0.00 C ATOM 1853 C ALA A 121 116.749 2.096 15.316 1.00 0.00 C ATOM 1854 O ALA A 121 116.425 0.927 15.259 1.00 0.00 O ATOM 1855 CB ALA A 121 118.915 3.297 14.892 1.00 0.00 C ATOM 0 H ALA A 121 117.444 4.770 13.723 1.00 0.00 H new ATOM 0 HA ALA A 121 117.887 1.915 13.543 1.00 0.00 H new ATOM 0 HB1 ALA A 121 119.460 2.507 15.408 1.00 0.00 H new ATOM 0 HB2 ALA A 121 119.550 3.732 14.120 1.00 0.00 H new ATOM 0 HB3 ALA A 121 118.633 4.070 15.607 1.00 0.00 H new ATOM 1861 N ARG A 122 116.343 2.861 16.297 1.00 0.00 N ATOM 1862 CA ARG A 122 115.466 2.293 17.365 1.00 0.00 C ATOM 1863 C ARG A 122 114.233 1.632 16.739 1.00 0.00 C ATOM 1864 O ARG A 122 113.819 0.562 17.145 1.00 0.00 O ATOM 1865 CB ARG A 122 115.075 3.479 18.255 1.00 0.00 C ATOM 1866 CG ARG A 122 114.146 4.433 17.497 1.00 0.00 C ATOM 1867 CD ARG A 122 113.871 5.668 18.361 1.00 0.00 C ATOM 1868 NE ARG A 122 113.250 5.135 19.607 1.00 0.00 N ATOM 1869 CZ ARG A 122 113.361 5.795 20.729 1.00 0.00 C ATOM 1870 NH1 ARG A 122 114.508 6.316 21.070 1.00 0.00 N ATOM 1871 NH2 ARG A 122 112.324 5.928 21.511 1.00 0.00 N ATOM 0 H ARG A 122 116.579 3.848 16.405 1.00 0.00 H new ATOM 0 HA ARG A 122 115.971 1.521 17.945 1.00 0.00 H new ATOM 0 HB2 ARG A 122 114.579 3.118 19.156 1.00 0.00 H new ATOM 0 HB3 ARG A 122 115.970 4.012 18.576 1.00 0.00 H new ATOM 0 HG2 ARG A 122 114.603 4.730 16.553 1.00 0.00 H new ATOM 0 HG3 ARG A 122 113.210 3.930 17.253 1.00 0.00 H new ATOM 0 HD2 ARG A 122 114.791 6.210 18.579 1.00 0.00 H new ATOM 0 HD3 ARG A 122 113.203 6.364 17.854 1.00 0.00 H new ATOM 0 HE ARG A 122 112.737 4.253 19.584 1.00 0.00 H new ATOM 0 HH11 ARG A 122 115.319 6.208 20.460 1.00 0.00 H new ATOM 0 HH12 ARG A 122 114.594 6.831 21.946 1.00 0.00 H new ATOM 0 HH21 ARG A 122 111.429 5.517 21.246 1.00 0.00 H new ATOM 0 HH22 ARG A 122 112.409 6.443 22.387 1.00 0.00 H new ATOM 1885 N TYR A 123 113.655 2.248 15.741 1.00 0.00 N ATOM 1886 CA TYR A 123 112.466 1.635 15.086 1.00 0.00 C ATOM 1887 C TYR A 123 112.900 0.381 14.327 1.00 0.00 C ATOM 1888 O TYR A 123 112.246 -0.644 14.372 1.00 0.00 O ATOM 1889 CB TYR A 123 111.944 2.697 14.118 1.00 0.00 C ATOM 1890 CG TYR A 123 110.589 2.277 13.604 1.00 0.00 C ATOM 1891 CD1 TYR A 123 110.482 1.208 12.706 1.00 0.00 C ATOM 1892 CD2 TYR A 123 109.440 2.951 14.029 1.00 0.00 C ATOM 1893 CE1 TYR A 123 109.226 0.814 12.233 1.00 0.00 C ATOM 1894 CE2 TYR A 123 108.183 2.559 13.556 1.00 0.00 C ATOM 1895 CZ TYR A 123 108.075 1.490 12.658 1.00 0.00 C ATOM 1896 OH TYR A 123 106.835 1.101 12.193 1.00 0.00 O ATOM 0 H TYR A 123 113.954 3.143 15.354 1.00 0.00 H new ATOM 0 HA TYR A 123 111.698 1.339 15.801 1.00 0.00 H new ATOM 0 HB2 TYR A 123 111.872 3.661 14.621 1.00 0.00 H new ATOM 0 HB3 TYR A 123 112.639 2.822 13.287 1.00 0.00 H new ATOM 0 HD1 TYR A 123 111.370 0.687 12.378 1.00 0.00 H new ATOM 0 HD2 TYR A 123 109.523 3.775 14.723 1.00 0.00 H new ATOM 0 HE1 TYR A 123 109.144 -0.011 11.541 1.00 0.00 H new ATOM 0 HE2 TYR A 123 107.296 3.081 13.883 1.00 0.00 H new ATOM 0 HH TYR A 123 106.144 1.673 12.587 1.00 0.00 H new ATOM 1906 N LEU A 124 114.009 0.453 13.640 1.00 0.00 N ATOM 1907 CA LEU A 124 114.501 -0.735 12.887 1.00 0.00 C ATOM 1908 C LEU A 124 114.894 -1.840 13.866 1.00 0.00 C ATOM 1909 O LEU A 124 114.521 -2.982 13.707 1.00 0.00 O ATOM 1910 CB LEU A 124 115.729 -0.245 12.119 1.00 0.00 C ATOM 1911 CG LEU A 124 115.287 0.461 10.836 1.00 0.00 C ATOM 1912 CD1 LEU A 124 116.515 1.017 10.114 1.00 0.00 C ATOM 1913 CD2 LEU A 124 114.567 -0.534 9.924 1.00 0.00 C ATOM 0 H LEU A 124 114.595 1.285 13.568 1.00 0.00 H new ATOM 0 HA LEU A 124 113.743 -1.144 12.219 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.309 0.438 12.740 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.378 -1.086 11.877 1.00 0.00 H new ATOM 0 HG LEU A 124 114.609 1.277 11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 124 116.202 1.521 9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 124 117.028 1.728 10.762 1.00 0.00 H new ATOM 0 HD13 LEU A 124 117.192 0.200 9.865 1.00 0.00 H new ATOM 0 HD21 LEU A 124 114.253 -0.029 9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 124 115.242 -1.352 9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.692 -0.931 10.438 1.00 0.00 H new ATOM 1925 N HIS A 125 115.645 -1.503 14.884 1.00 0.00 N ATOM 1926 CA HIS A 125 116.066 -2.532 15.884 1.00 0.00 C ATOM 1927 C HIS A 125 114.852 -3.331 16.369 1.00 0.00 C ATOM 1928 O HIS A 125 114.953 -4.500 16.684 1.00 0.00 O ATOM 1929 CB HIS A 125 116.680 -1.736 17.036 1.00 0.00 C ATOM 1930 CG HIS A 125 117.234 -2.688 18.062 1.00 0.00 C ATOM 1931 ND1 HIS A 125 116.937 -2.575 19.412 1.00 0.00 N ATOM 1932 CD2 HIS A 125 118.066 -3.774 17.952 1.00 0.00 C ATOM 1933 CE1 HIS A 125 117.581 -3.567 20.053 1.00 0.00 C ATOM 1934 NE2 HIS A 125 118.285 -4.327 19.210 1.00 0.00 N ATOM 0 H HIS A 125 115.985 -0.559 15.066 1.00 0.00 H new ATOM 0 HA HIS A 125 116.769 -3.251 15.464 1.00 0.00 H new ATOM 0 HB2 HIS A 125 117.471 -1.086 16.662 1.00 0.00 H new ATOM 0 HB3 HIS A 125 115.927 -1.093 17.490 1.00 0.00 H new ATOM 0 HD2 HIS A 125 118.487 -4.144 17.029 1.00 0.00 H new ATOM 0 HE1 HIS A 125 117.534 -3.729 21.120 1.00 0.00 H new ATOM 0 HE2 HIS A 125 118.859 -5.138 19.439 1.00 0.00 H new ATOM 1942 N ALA A 126 113.707 -2.704 16.428 1.00 0.00 N ATOM 1943 CA ALA A 126 112.484 -3.423 16.890 1.00 0.00 C ATOM 1944 C ALA A 126 111.925 -4.300 15.763 1.00 0.00 C ATOM 1945 O ALA A 126 111.277 -5.298 16.007 1.00 0.00 O ATOM 1946 CB ALA A 126 111.491 -2.319 17.253 1.00 0.00 C ATOM 0 H ALA A 126 113.566 -1.726 16.176 1.00 0.00 H new ATOM 0 HA ALA A 126 112.687 -4.083 17.733 1.00 0.00 H new ATOM 0 HB1 ALA A 126 110.561 -2.767 17.604 1.00 0.00 H new ATOM 0 HB2 ALA A 126 111.913 -1.695 18.041 1.00 0.00 H new ATOM 0 HB3 ALA A 126 111.290 -1.707 16.374 1.00 0.00 H new ATOM 1952 N ALA A 127 112.170 -3.932 14.532 1.00 0.00 N ATOM 1953 CA ALA A 127 111.648 -4.742 13.390 1.00 0.00 C ATOM 1954 C ALA A 127 112.762 -5.599 12.774 1.00 0.00 C ATOM 1955 O ALA A 127 112.508 -6.474 11.971 1.00 0.00 O ATOM 1956 CB ALA A 127 111.142 -3.714 12.378 1.00 0.00 C ATOM 0 H ALA A 127 112.708 -3.107 14.268 1.00 0.00 H new ATOM 0 HA ALA A 127 110.865 -5.432 13.705 1.00 0.00 H new ATOM 0 HB1 ALA A 127 110.741 -4.229 11.505 1.00 0.00 H new ATOM 0 HB2 ALA A 127 110.358 -3.109 12.834 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.966 -3.069 12.071 1.00 0.00 H new ATOM 1962 N THR A 128 113.995 -5.352 13.139 1.00 0.00 N ATOM 1963 CA THR A 128 115.119 -6.152 12.567 1.00 0.00 C ATOM 1964 C THR A 128 115.397 -7.382 13.435 1.00 0.00 C ATOM 1965 O THR A 128 115.845 -8.403 12.952 1.00 0.00 O ATOM 1966 CB THR A 128 116.327 -5.212 12.586 1.00 0.00 C ATOM 1967 OG1 THR A 128 116.564 -4.778 13.918 1.00 0.00 O ATOM 1968 CG2 THR A 128 116.052 -4.000 11.694 1.00 0.00 C ATOM 0 H THR A 128 114.271 -4.632 13.807 1.00 0.00 H new ATOM 0 HA THR A 128 114.892 -6.513 11.564 1.00 0.00 H new ATOM 0 HB THR A 128 117.204 -5.741 12.212 1.00 0.00 H new ATOM 0 HG1 THR A 128 117.486 -4.454 13.998 1.00 0.00 H new ATOM 0 HG21 THR A 128 116.914 -3.333 11.710 1.00 0.00 H new ATOM 0 HG22 THR A 128 115.871 -4.334 10.672 1.00 0.00 H new ATOM 0 HG23 THR A 128 115.175 -3.468 12.063 1.00 0.00 H new