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 46 MET CE :methyl -168:sc= -9.74! (180deg=-7.98!) USER MOD Set 1.2: A 48 MET CE :methyl -128:sc= -7.25! (180deg=-12.2!) USER MOD Set 1.3: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 GLN : amide:sc= -1.01 X(o=-2.1,f=-2.2) USER MOD Set 2.2: A 21 THR OG1 : rot -140:sc= -1.06 USER MOD Single : A 12 THR OG1 : rot -88:sc= -0.673 USER MOD Single : A 24 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.9) USER MOD Single : A 33 ASN : amide:sc= 0.285 K(o=0.29,f=-0.36) USER MOD Single : A 36 ASN : amide:sc= -0.822 K(o=-0.82,f=0.82) USER MOD Single : A 44 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.6!) USER MOD Single : A 47 MET CE :methyl -140:sc= -0.539 (180deg=-1.91!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 60 HIS : no HD1:sc= -8.11! C(o=-8.1!,f=-5.5!) USER MOD Single : A 65 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.013) USER MOD Single : A 66 CYS SG : rot 180:sc= -0.0308 USER MOD Single : A 71 THR OG1 : rot -41:sc= 0.826 USER MOD Single : A 73 THR OG1 : rot 150:sc= -6.34! USER MOD Single : A 77 HIS : no HE2:sc= -4.9! K(o=-4.9!,f=-1.8) USER MOD Single : A 92 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.73) USER MOD Single : A 101 CYS SG : rot 29:sc= 0.159 USER MOD Single : A 115 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.19) USER MOD Single : A 117 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-3.7!) USER MOD Single : A 123 TYR OH : rot 36:sc= -0.102 USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 128 THR OG1 : rot 71:sc= 0.645 USER MOD ----------------------------------------------------------------- ATOM 150 N ASP A 7 105.120 2.259 -16.635 1.00 0.00 N ATOM 151 CA ASP A 7 105.963 1.309 -15.843 1.00 0.00 C ATOM 152 C ASP A 7 107.414 1.816 -15.738 1.00 0.00 C ATOM 153 O ASP A 7 108.329 1.058 -15.491 1.00 0.00 O ATOM 154 CB ASP A 7 105.864 -0.029 -16.602 1.00 0.00 C ATOM 155 CG ASP A 7 107.108 -0.278 -17.466 1.00 0.00 C ATOM 156 OD1 ASP A 7 108.055 -0.851 -16.953 1.00 0.00 O ATOM 157 OD2 ASP A 7 107.089 0.100 -18.625 1.00 0.00 O ATOM 0 HA ASP A 7 105.623 1.205 -14.813 1.00 0.00 H new ATOM 0 HB2 ASP A 7 105.745 -0.845 -15.889 1.00 0.00 H new ATOM 0 HB3 ASP A 7 104.976 -0.026 -17.234 1.00 0.00 H new ATOM 162 N ALA A 8 107.623 3.095 -15.912 1.00 0.00 N ATOM 163 CA ALA A 8 109.004 3.650 -15.819 1.00 0.00 C ATOM 164 C ALA A 8 108.982 4.982 -15.066 1.00 0.00 C ATOM 165 O ALA A 8 109.754 5.204 -14.154 1.00 0.00 O ATOM 166 CB ALA A 8 109.445 3.858 -17.268 1.00 0.00 C ATOM 0 H ALA A 8 106.895 3.780 -16.115 1.00 0.00 H new ATOM 0 HA ALA A 8 109.683 2.990 -15.280 1.00 0.00 H new ATOM 0 HB1 ALA A 8 110.456 4.266 -17.286 1.00 0.00 H new ATOM 0 HB2 ALA A 8 109.430 2.903 -17.794 1.00 0.00 H new ATOM 0 HB3 ALA A 8 108.764 4.553 -17.759 1.00 0.00 H new ATOM 172 N GLY A 9 108.094 5.866 -15.437 1.00 0.00 N ATOM 173 CA GLY A 9 108.011 7.181 -14.739 1.00 0.00 C ATOM 174 C GLY A 9 107.691 6.949 -13.259 1.00 0.00 C ATOM 175 O GLY A 9 107.955 7.785 -12.419 1.00 0.00 O ATOM 0 H GLY A 9 107.423 5.734 -16.193 1.00 0.00 H new ATOM 0 HA2 GLY A 9 108.954 7.719 -14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 9 107.240 7.801 -15.197 1.00 0.00 H new ATOM 179 N LEU A 10 107.125 5.816 -12.939 1.00 0.00 N ATOM 180 CA LEU A 10 106.784 5.517 -11.518 1.00 0.00 C ATOM 181 C LEU A 10 108.063 5.355 -10.686 1.00 0.00 C ATOM 182 O LEU A 10 108.206 5.942 -9.631 1.00 0.00 O ATOM 183 CB LEU A 10 105.994 4.202 -11.579 1.00 0.00 C ATOM 184 CG LEU A 10 105.853 3.596 -10.178 1.00 0.00 C ATOM 185 CD1 LEU A 10 105.079 4.558 -9.272 1.00 0.00 C ATOM 186 CD2 LEU A 10 105.097 2.267 -10.277 1.00 0.00 C ATOM 0 H LEU A 10 106.883 5.081 -13.604 1.00 0.00 H new ATOM 0 HA LEU A 10 106.210 6.315 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 10 105.007 4.383 -12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 10 106.501 3.497 -12.238 1.00 0.00 H new ATOM 0 HG LEU A 10 106.843 3.426 -9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 10 104.982 4.122 -8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 10 105.616 5.504 -9.203 1.00 0.00 H new ATOM 0 HD13 LEU A 10 104.088 4.733 -9.690 1.00 0.00 H new ATOM 0 HD21 LEU A 10 104.994 1.832 -9.283 1.00 0.00 H new ATOM 0 HD22 LEU A 10 104.108 2.442 -10.701 1.00 0.00 H new ATOM 0 HD23 LEU A 10 105.650 1.581 -10.918 1.00 0.00 H new ATOM 198 N ALA A 11 108.988 4.559 -11.150 1.00 0.00 N ATOM 199 CA ALA A 11 110.252 4.352 -10.382 1.00 0.00 C ATOM 200 C ALA A 11 111.155 5.586 -10.486 1.00 0.00 C ATOM 201 O ALA A 11 111.647 6.090 -9.497 1.00 0.00 O ATOM 202 CB ALA A 11 110.921 3.142 -11.036 1.00 0.00 C ATOM 0 H ALA A 11 108.924 4.043 -12.027 1.00 0.00 H new ATOM 0 HA ALA A 11 110.063 4.192 -9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 11 111.860 2.926 -10.526 1.00 0.00 H new ATOM 0 HB2 ALA A 11 110.261 2.278 -10.963 1.00 0.00 H new ATOM 0 HB3 ALA A 11 111.120 3.359 -12.085 1.00 0.00 H new ATOM 208 N THR A 12 111.379 6.072 -11.679 1.00 0.00 N ATOM 209 CA THR A 12 112.257 7.270 -11.847 1.00 0.00 C ATOM 210 C THR A 12 111.711 8.456 -11.045 1.00 0.00 C ATOM 211 O THR A 12 112.432 9.100 -10.310 1.00 0.00 O ATOM 212 CB THR A 12 112.232 7.580 -13.346 1.00 0.00 C ATOM 213 OG1 THR A 12 110.894 7.828 -13.755 1.00 0.00 O ATOM 214 CG2 THR A 12 112.797 6.392 -14.126 1.00 0.00 C ATOM 0 H THR A 12 110.993 5.692 -12.544 1.00 0.00 H new ATOM 0 HA THR A 12 113.269 7.086 -11.485 1.00 0.00 H new ATOM 0 HB THR A 12 112.841 8.462 -13.545 1.00 0.00 H new ATOM 0 HG1 THR A 12 110.466 6.982 -14.005 1.00 0.00 H new ATOM 0 HG21 THR A 12 112.778 6.615 -15.193 1.00 0.00 H new ATOM 0 HG22 THR A 12 113.824 6.206 -13.812 1.00 0.00 H new ATOM 0 HG23 THR A 12 112.192 5.507 -13.930 1.00 0.00 H new ATOM 222 N ALA A 13 110.444 8.750 -11.179 1.00 0.00 N ATOM 223 CA ALA A 13 109.860 9.897 -10.421 1.00 0.00 C ATOM 224 C ALA A 13 110.008 9.665 -8.915 1.00 0.00 C ATOM 225 O ALA A 13 110.277 10.578 -8.160 1.00 0.00 O ATOM 226 CB ALA A 13 108.383 9.930 -10.815 1.00 0.00 C ATOM 0 H ALA A 13 109.790 8.247 -11.779 1.00 0.00 H new ATOM 0 HA ALA A 13 110.361 10.838 -10.650 1.00 0.00 H new ATOM 0 HB1 ALA A 13 107.886 10.750 -10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 13 108.297 10.077 -11.892 1.00 0.00 H new ATOM 0 HB3 ALA A 13 107.912 8.987 -10.539 1.00 0.00 H new ATOM 232 N ALA A 14 109.838 8.447 -8.475 1.00 0.00 N ATOM 233 CA ALA A 14 109.971 8.153 -7.018 1.00 0.00 C ATOM 234 C ALA A 14 111.399 8.447 -6.552 1.00 0.00 C ATOM 235 O ALA A 14 111.630 8.807 -5.414 1.00 0.00 O ATOM 236 CB ALA A 14 109.658 6.663 -6.882 1.00 0.00 C ATOM 0 H ALA A 14 109.613 7.643 -9.061 1.00 0.00 H new ATOM 0 HA ALA A 14 109.304 8.764 -6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 14 109.735 6.369 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.647 6.470 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 14 110.369 6.086 -7.474 1.00 0.00 H new ATOM 242 N ALA A 15 112.359 8.299 -7.426 1.00 0.00 N ATOM 243 CA ALA A 15 113.775 8.570 -7.039 1.00 0.00 C ATOM 244 C ALA A 15 114.071 10.068 -7.147 1.00 0.00 C ATOM 245 O ALA A 15 114.847 10.614 -6.386 1.00 0.00 O ATOM 246 CB ALA A 15 114.617 7.784 -8.044 1.00 0.00 C ATOM 0 H ALA A 15 112.224 8.002 -8.392 1.00 0.00 H new ATOM 0 HA ALA A 15 113.988 8.276 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.675 7.932 -7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.376 6.724 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 15 114.402 8.136 -9.053 1.00 0.00 H new ATOM 252 N ARG A 16 113.461 10.736 -8.088 1.00 0.00 N ATOM 253 CA ARG A 16 113.704 12.200 -8.250 1.00 0.00 C ATOM 254 C ARG A 16 112.961 12.982 -7.163 1.00 0.00 C ATOM 255 O ARG A 16 113.338 14.084 -6.812 1.00 0.00 O ATOM 256 CB ARG A 16 113.148 12.541 -9.633 1.00 0.00 C ATOM 257 CG ARG A 16 113.363 14.029 -9.921 1.00 0.00 C ATOM 258 CD ARG A 16 114.856 14.306 -10.108 1.00 0.00 C ATOM 259 NE ARG A 16 115.260 13.477 -11.278 1.00 0.00 N ATOM 260 CZ ARG A 16 116.521 13.215 -11.489 1.00 0.00 C ATOM 261 NH1 ARG A 16 117.399 14.180 -11.470 1.00 0.00 N ATOM 262 NH2 ARG A 16 116.903 11.988 -11.719 1.00 0.00 N ATOM 0 H ARG A 16 112.803 10.331 -8.754 1.00 0.00 H new ATOM 0 HA ARG A 16 114.759 12.458 -8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 16 113.643 11.938 -10.394 1.00 0.00 H new ATOM 0 HB3 ARG A 16 112.086 12.301 -9.678 1.00 0.00 H new ATOM 0 HG2 ARG A 16 112.814 14.319 -10.817 1.00 0.00 H new ATOM 0 HG3 ARG A 16 112.972 14.629 -9.099 1.00 0.00 H new ATOM 0 HD2 ARG A 16 115.041 15.364 -10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 16 115.422 14.034 -9.217 1.00 0.00 H new ATOM 0 HE ARG A 16 114.551 13.114 -11.915 1.00 0.00 H new ATOM 0 HH11 ARG A 16 117.100 15.138 -11.290 1.00 0.00 H new ATOM 0 HH12 ARG A 16 118.385 13.976 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 16 116.216 11.234 -11.734 1.00 0.00 H new ATOM 0 HH22 ARG A 16 117.889 11.783 -11.884 1.00 0.00 H new ATOM 276 N GLY A 17 111.908 12.423 -6.629 1.00 0.00 N ATOM 277 CA GLY A 17 111.141 13.134 -5.567 1.00 0.00 C ATOM 278 C GLY A 17 109.874 13.740 -6.171 1.00 0.00 C ATOM 279 O GLY A 17 109.533 14.877 -5.911 1.00 0.00 O ATOM 0 H GLY A 17 111.546 11.504 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 17 110.880 12.441 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 17 111.755 13.917 -5.123 1.00 0.00 H new ATOM 283 N GLN A 18 109.172 12.986 -6.975 1.00 0.00 N ATOM 284 CA GLN A 18 107.925 13.515 -7.598 1.00 0.00 C ATOM 285 C GLN A 18 106.728 12.658 -7.182 1.00 0.00 C ATOM 286 O GLN A 18 106.461 11.621 -7.760 1.00 0.00 O ATOM 287 CB GLN A 18 108.161 13.420 -9.107 1.00 0.00 C ATOM 288 CG GLN A 18 108.436 14.816 -9.672 1.00 0.00 C ATOM 289 CD GLN A 18 107.160 15.375 -10.302 1.00 0.00 C ATOM 290 OE1 GLN A 18 106.106 15.342 -9.698 1.00 0.00 O ATOM 291 NE2 GLN A 18 107.209 15.888 -11.500 1.00 0.00 N ATOM 0 H GLN A 18 109.409 12.026 -7.227 1.00 0.00 H new ATOM 0 HA GLN A 18 107.707 14.537 -7.288 1.00 0.00 H new ATOM 0 HB2 GLN A 18 109.004 12.761 -9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 18 107.289 12.984 -9.595 1.00 0.00 H new ATOM 0 HG2 GLN A 18 108.782 15.479 -8.879 1.00 0.00 H new ATOM 0 HG3 GLN A 18 109.230 14.768 -10.417 1.00 0.00 H new ATOM 0 HE21 GLN A 18 108.094 15.916 -12.007 1.00 0.00 H new ATOM 0 HE22 GLN A 18 106.363 16.261 -11.930 1.00 0.00 H new ATOM 300 N VAL A 19 106.009 13.084 -6.180 1.00 0.00 N ATOM 301 CA VAL A 19 104.828 12.301 -5.715 1.00 0.00 C ATOM 302 C VAL A 19 103.647 12.506 -6.673 1.00 0.00 C ATOM 303 O VAL A 19 102.916 11.585 -6.972 1.00 0.00 O ATOM 304 CB VAL A 19 104.523 12.860 -4.317 1.00 0.00 C ATOM 305 CG1 VAL A 19 103.134 12.407 -3.847 1.00 0.00 C ATOM 306 CG2 VAL A 19 105.580 12.349 -3.332 1.00 0.00 C ATOM 0 H VAL A 19 106.189 13.944 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 19 105.013 11.227 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 19 104.541 13.949 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.935 12.813 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.378 12.768 -4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 19 103.101 11.318 -3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 19 105.370 12.742 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 19 105.555 11.260 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 19 106.567 12.682 -3.653 1.00 0.00 H new ATOM 316 N GLU A 20 103.459 13.706 -7.156 1.00 0.00 N ATOM 317 CA GLU A 20 102.323 13.969 -8.092 1.00 0.00 C ATOM 318 C GLU A 20 102.442 13.099 -9.349 1.00 0.00 C ATOM 319 O GLU A 20 101.481 12.503 -9.793 1.00 0.00 O ATOM 320 CB GLU A 20 102.443 15.450 -8.458 1.00 0.00 C ATOM 321 CG GLU A 20 101.999 16.308 -7.272 1.00 0.00 C ATOM 322 CD GLU A 20 101.818 17.756 -7.730 1.00 0.00 C ATOM 323 OE1 GLU A 20 102.771 18.317 -8.247 1.00 0.00 O ATOM 324 OE2 GLU A 20 100.731 18.281 -7.556 1.00 0.00 O ATOM 0 H GLU A 20 104.042 14.516 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 20 101.361 13.733 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 20 103.473 15.687 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 20 101.828 15.671 -9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 20 101.064 15.925 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 20 102.741 16.257 -6.475 1.00 0.00 H new ATOM 331 N THR A 21 103.610 13.030 -9.927 1.00 0.00 N ATOM 332 CA THR A 21 103.787 12.205 -11.162 1.00 0.00 C ATOM 333 C THR A 21 103.557 10.721 -10.856 1.00 0.00 C ATOM 334 O THR A 21 102.930 10.013 -11.618 1.00 0.00 O ATOM 335 CB THR A 21 105.236 12.445 -11.600 1.00 0.00 C ATOM 336 OG1 THR A 21 105.418 13.822 -11.906 1.00 0.00 O ATOM 337 CG2 THR A 21 105.544 11.606 -12.842 1.00 0.00 C ATOM 0 H THR A 21 104.450 13.508 -9.600 1.00 0.00 H new ATOM 0 HA THR A 21 103.075 12.479 -11.940 1.00 0.00 H new ATOM 0 HB THR A 21 105.908 12.158 -10.791 1.00 0.00 H new ATOM 0 HG1 THR A 21 105.986 13.908 -12.700 1.00 0.00 H new ATOM 0 HG21 THR A 21 106.575 11.779 -13.151 1.00 0.00 H new ATOM 0 HG22 THR A 21 105.407 10.550 -12.611 1.00 0.00 H new ATOM 0 HG23 THR A 21 104.870 11.891 -13.650 1.00 0.00 H new ATOM 345 N VAL A 22 104.066 10.245 -9.752 1.00 0.00 N ATOM 346 CA VAL A 22 103.883 8.803 -9.404 1.00 0.00 C ATOM 347 C VAL A 22 102.423 8.522 -9.030 1.00 0.00 C ATOM 348 O VAL A 22 101.840 7.548 -9.464 1.00 0.00 O ATOM 349 CB VAL A 22 104.806 8.563 -8.205 1.00 0.00 C ATOM 350 CG1 VAL A 22 104.698 7.103 -7.751 1.00 0.00 C ATOM 351 CG2 VAL A 22 106.252 8.864 -8.609 1.00 0.00 C ATOM 0 H VAL A 22 104.600 10.790 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 22 104.122 8.145 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 22 104.510 9.218 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 22 105.356 6.938 -6.898 1.00 0.00 H new ATOM 0 HG12 VAL A 22 103.669 6.887 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 22 104.991 6.445 -8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 22 106.911 8.694 -7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 22 106.544 8.209 -9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 22 106.332 9.903 -8.928 1.00 0.00 H new ATOM 361 N ARG A 23 101.831 9.364 -8.223 1.00 0.00 N ATOM 362 CA ARG A 23 100.409 9.142 -7.816 1.00 0.00 C ATOM 363 C ARG A 23 99.492 9.114 -9.043 1.00 0.00 C ATOM 364 O ARG A 23 98.567 8.328 -9.119 1.00 0.00 O ATOM 365 CB ARG A 23 100.062 10.337 -6.921 1.00 0.00 C ATOM 366 CG ARG A 23 99.208 9.871 -5.737 1.00 0.00 C ATOM 367 CD ARG A 23 99.826 10.377 -4.431 1.00 0.00 C ATOM 368 NE ARG A 23 99.236 9.524 -3.362 1.00 0.00 N ATOM 369 CZ ARG A 23 99.616 9.673 -2.121 1.00 0.00 C ATOM 370 NH1 ARG A 23 100.874 9.882 -1.844 1.00 0.00 N ATOM 371 NH2 ARG A 23 98.737 9.614 -1.159 1.00 0.00 N ATOM 0 H ARG A 23 102.270 10.196 -7.828 1.00 0.00 H new ATOM 0 HA ARG A 23 100.277 8.189 -7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 23 100.976 10.808 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 23 99.522 11.089 -7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 23 98.190 10.246 -5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 23 99.147 8.783 -5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 23 100.912 10.289 -4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 23 99.594 11.429 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 23 98.534 8.823 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 23 101.561 9.929 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 23 101.170 9.998 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 23 97.754 9.452 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 23 99.033 9.730 -0.190 1.00 0.00 H new ATOM 385 N GLN A 24 99.735 9.972 -9.997 1.00 0.00 N ATOM 386 CA GLN A 24 98.870 10.003 -11.214 1.00 0.00 C ATOM 387 C GLN A 24 99.144 8.788 -12.107 1.00 0.00 C ATOM 388 O GLN A 24 98.234 8.161 -12.612 1.00 0.00 O ATOM 389 CB GLN A 24 99.250 11.295 -11.937 1.00 0.00 C ATOM 390 CG GLN A 24 98.280 12.411 -11.539 1.00 0.00 C ATOM 391 CD GLN A 24 98.547 12.828 -10.091 1.00 0.00 C ATOM 392 OE1 GLN A 24 98.075 12.196 -9.169 1.00 0.00 O ATOM 393 NE2 GLN A 24 99.291 13.874 -9.852 1.00 0.00 N ATOM 0 H GLN A 24 100.494 10.653 -9.987 1.00 0.00 H new ATOM 0 HA GLN A 24 97.810 9.970 -10.961 1.00 0.00 H new ATOM 0 HB2 GLN A 24 100.271 11.579 -11.683 1.00 0.00 H new ATOM 0 HB3 GLN A 24 99.221 11.142 -13.016 1.00 0.00 H new ATOM 0 HG2 GLN A 24 98.401 13.267 -12.203 1.00 0.00 H new ATOM 0 HG3 GLN A 24 97.251 12.068 -11.646 1.00 0.00 H new ATOM 0 HE21 GLN A 24 99.688 14.405 -10.627 1.00 0.00 H new ATOM 0 HE22 GLN A 24 99.475 14.160 -8.890 1.00 0.00 H new ATOM 402 N LEU A 25 100.391 8.457 -12.313 1.00 0.00 N ATOM 403 CA LEU A 25 100.721 7.288 -13.184 1.00 0.00 C ATOM 404 C LEU A 25 100.183 5.988 -12.573 1.00 0.00 C ATOM 405 O LEU A 25 99.562 5.189 -13.246 1.00 0.00 O ATOM 406 CB LEU A 25 102.251 7.254 -13.251 1.00 0.00 C ATOM 407 CG LEU A 25 102.702 7.301 -14.713 1.00 0.00 C ATOM 408 CD1 LEU A 25 104.227 7.405 -14.772 1.00 0.00 C ATOM 409 CD2 LEU A 25 102.249 6.024 -15.426 1.00 0.00 C ATOM 0 H LEU A 25 101.195 8.944 -11.917 1.00 0.00 H new ATOM 0 HA LEU A 25 100.271 7.380 -14.172 1.00 0.00 H new ATOM 0 HB2 LEU A 25 102.668 8.100 -12.704 1.00 0.00 H new ATOM 0 HB3 LEU A 25 102.626 6.349 -12.773 1.00 0.00 H new ATOM 0 HG LEU A 25 102.260 8.168 -15.204 1.00 0.00 H new ATOM 0 HD11 LEU A 25 104.549 7.439 -15.813 1.00 0.00 H new ATOM 0 HD12 LEU A 25 104.550 8.313 -14.263 1.00 0.00 H new ATOM 0 HD13 LEU A 25 104.670 6.538 -14.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 102.569 6.056 -16.467 1.00 0.00 H new ATOM 0 HD22 LEU A 25 102.692 5.157 -14.936 1.00 0.00 H new ATOM 0 HD23 LEU A 25 101.162 5.949 -15.383 1.00 0.00 H new ATOM 421 N LEU A 26 100.426 5.766 -11.308 1.00 0.00 N ATOM 422 CA LEU A 26 99.936 4.511 -10.660 1.00 0.00 C ATOM 423 C LEU A 26 98.429 4.349 -10.871 1.00 0.00 C ATOM 424 O LEU A 26 97.982 3.422 -11.518 1.00 0.00 O ATOM 425 CB LEU A 26 100.256 4.677 -9.175 1.00 0.00 C ATOM 426 CG LEU A 26 101.559 3.946 -8.853 1.00 0.00 C ATOM 427 CD1 LEU A 26 102.164 4.524 -7.574 1.00 0.00 C ATOM 428 CD2 LEU A 26 101.274 2.455 -8.655 1.00 0.00 C ATOM 0 H LEU A 26 100.942 6.398 -10.695 1.00 0.00 H new ATOM 0 HA LEU A 26 100.408 3.624 -11.082 1.00 0.00 H new ATOM 0 HB2 LEU A 26 100.348 5.734 -8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 26 99.443 4.278 -8.569 1.00 0.00 H new ATOM 0 HG LEU A 26 102.260 4.074 -9.677 1.00 0.00 H new ATOM 0 HD11 LEU A 26 103.093 4.003 -7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 26 102.368 5.585 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 26 101.462 4.396 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 26 102.204 1.934 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 26 100.572 2.325 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 26 100.843 2.043 -9.567 1.00 0.00 H new ATOM 440 N GLU A 27 97.643 5.244 -10.336 1.00 0.00 N ATOM 441 CA GLU A 27 96.164 5.136 -10.514 1.00 0.00 C ATOM 442 C GLU A 27 95.800 5.210 -12.003 1.00 0.00 C ATOM 443 O GLU A 27 94.707 4.855 -12.398 1.00 0.00 O ATOM 444 CB GLU A 27 95.577 6.328 -9.751 1.00 0.00 C ATOM 445 CG GLU A 27 96.136 7.637 -10.316 1.00 0.00 C ATOM 446 CD GLU A 27 95.107 8.272 -11.253 1.00 0.00 C ATOM 447 OE1 GLU A 27 95.104 7.922 -12.421 1.00 0.00 O ATOM 448 OE2 GLU A 27 94.340 9.098 -10.787 1.00 0.00 O ATOM 0 H GLU A 27 97.958 6.043 -9.785 1.00 0.00 H new ATOM 0 HA GLU A 27 95.774 4.189 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 27 94.490 6.322 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 27 95.819 6.247 -8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 27 96.375 8.323 -9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 27 97.064 7.445 -10.855 1.00 0.00 H new ATOM 455 N ALA A 28 96.707 5.667 -12.830 1.00 0.00 N ATOM 456 CA ALA A 28 96.408 5.759 -14.290 1.00 0.00 C ATOM 457 C ALA A 28 96.666 4.413 -14.978 1.00 0.00 C ATOM 458 O ALA A 28 95.938 4.016 -15.866 1.00 0.00 O ATOM 459 CB ALA A 28 97.365 6.825 -14.825 1.00 0.00 C ATOM 0 H ALA A 28 97.639 5.979 -12.557 1.00 0.00 H new ATOM 0 HA ALA A 28 95.365 6.013 -14.478 1.00 0.00 H new ATOM 0 HB1 ALA A 28 97.207 6.952 -15.896 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.178 7.771 -14.316 1.00 0.00 H new ATOM 0 HB3 ALA A 28 98.394 6.514 -14.645 1.00 0.00 H new ATOM 465 N GLY A 29 97.694 3.708 -14.579 1.00 0.00 N ATOM 466 CA GLY A 29 97.987 2.400 -15.215 1.00 0.00 C ATOM 467 C GLY A 29 99.361 1.878 -14.776 1.00 0.00 C ATOM 468 O GLY A 29 99.621 0.692 -14.826 1.00 0.00 O ATOM 0 H GLY A 29 98.340 3.986 -13.840 1.00 0.00 H new ATOM 0 HA2 GLY A 29 97.216 1.678 -14.946 1.00 0.00 H new ATOM 0 HA3 GLY A 29 97.962 2.504 -16.300 1.00 0.00 H new ATOM 472 N ALA A 30 100.247 2.748 -14.357 1.00 0.00 N ATOM 473 CA ALA A 30 101.609 2.296 -13.926 1.00 0.00 C ATOM 474 C ALA A 30 101.514 1.105 -12.964 1.00 0.00 C ATOM 475 O ALA A 30 100.855 1.169 -11.945 1.00 0.00 O ATOM 476 CB ALA A 30 102.224 3.503 -13.216 1.00 0.00 C ATOM 0 H ALA A 30 100.087 3.753 -14.294 1.00 0.00 H new ATOM 0 HA ALA A 30 102.209 1.964 -14.774 1.00 0.00 H new ATOM 0 HB1 ALA A 30 103.226 3.250 -12.870 1.00 0.00 H new ATOM 0 HB2 ALA A 30 102.281 4.343 -13.909 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.604 3.778 -12.363 1.00 0.00 H new ATOM 482 N ASP A 31 102.173 0.021 -13.282 1.00 0.00 N ATOM 483 CA ASP A 31 102.128 -1.174 -12.390 1.00 0.00 C ATOM 484 C ASP A 31 103.157 -1.024 -11.261 1.00 0.00 C ATOM 485 O ASP A 31 104.319 -0.780 -11.518 1.00 0.00 O ATOM 486 CB ASP A 31 102.491 -2.357 -13.290 1.00 0.00 C ATOM 487 CG ASP A 31 101.271 -2.760 -14.121 1.00 0.00 C ATOM 488 OD1 ASP A 31 100.538 -1.875 -14.528 1.00 0.00 O ATOM 489 OD2 ASP A 31 101.093 -3.947 -14.337 1.00 0.00 O ATOM 0 H ASP A 31 102.741 -0.088 -14.122 1.00 0.00 H new ATOM 0 HA ASP A 31 101.153 -1.305 -11.921 1.00 0.00 H new ATOM 0 HB2 ASP A 31 103.318 -2.088 -13.946 1.00 0.00 H new ATOM 0 HB3 ASP A 31 102.826 -3.199 -12.684 1.00 0.00 H new ATOM 494 N PRO A 32 102.699 -1.172 -10.041 1.00 0.00 N ATOM 495 CA PRO A 32 103.606 -1.044 -8.876 1.00 0.00 C ATOM 496 C PRO A 32 104.487 -2.291 -8.730 1.00 0.00 C ATOM 497 O PRO A 32 105.416 -2.313 -7.947 1.00 0.00 O ATOM 498 CB PRO A 32 102.651 -0.917 -7.692 1.00 0.00 C ATOM 499 CG PRO A 32 101.386 -1.581 -8.136 1.00 0.00 C ATOM 500 CD PRO A 32 101.317 -1.465 -9.636 1.00 0.00 C ATOM 0 HA PRO A 32 104.291 -0.201 -8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 32 103.058 -1.400 -6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 32 102.478 0.128 -7.436 1.00 0.00 H new ATOM 0 HG2 PRO A 32 101.375 -2.628 -7.831 1.00 0.00 H new ATOM 0 HG3 PRO A 32 100.521 -1.105 -7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 32 100.956 -2.388 -10.090 1.00 0.00 H new ATOM 0 HD3 PRO A 32 100.636 -0.671 -9.943 1.00 0.00 H new ATOM 508 N ASN A 33 104.206 -3.329 -9.475 1.00 0.00 N ATOM 509 CA ASN A 33 105.032 -4.569 -9.370 1.00 0.00 C ATOM 510 C ASN A 33 105.887 -4.745 -10.629 1.00 0.00 C ATOM 511 O ASN A 33 106.205 -5.849 -11.024 1.00 0.00 O ATOM 512 CB ASN A 33 104.020 -5.711 -9.243 1.00 0.00 C ATOM 513 CG ASN A 33 104.321 -6.526 -7.983 1.00 0.00 C ATOM 514 OD1 ASN A 33 104.417 -7.736 -8.037 1.00 0.00 O ATOM 515 ND2 ASN A 33 104.473 -5.909 -6.842 1.00 0.00 N ATOM 0 H ASN A 33 103.442 -3.372 -10.150 1.00 0.00 H new ATOM 0 HA ASN A 33 105.718 -4.537 -8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 33 103.008 -5.310 -9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 33 104.068 -6.352 -10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 33 104.672 -6.443 -5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 33 104.392 -4.893 -6.797 1.00 0.00 H new ATOM 522 N ALA A 34 106.256 -3.664 -11.260 1.00 0.00 N ATOM 523 CA ALA A 34 107.090 -3.766 -12.495 1.00 0.00 C ATOM 524 C ALA A 34 108.429 -3.052 -12.291 1.00 0.00 C ATOM 525 O ALA A 34 108.506 -1.839 -12.328 1.00 0.00 O ATOM 526 CB ALA A 34 106.271 -3.070 -13.582 1.00 0.00 C ATOM 0 H ALA A 34 106.017 -2.714 -10.975 1.00 0.00 H new ATOM 0 HA ALA A 34 107.319 -4.799 -12.755 1.00 0.00 H new ATOM 0 HB1 ALA A 34 106.817 -3.102 -14.525 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.314 -3.579 -13.699 1.00 0.00 H new ATOM 0 HB3 ALA A 34 106.097 -2.032 -13.298 1.00 0.00 H new ATOM 532 N LEU A 35 109.485 -3.793 -12.077 1.00 0.00 N ATOM 533 CA LEU A 35 110.817 -3.153 -11.873 1.00 0.00 C ATOM 534 C LEU A 35 111.477 -2.861 -13.225 1.00 0.00 C ATOM 535 O LEU A 35 111.323 -3.605 -14.174 1.00 0.00 O ATOM 536 CB LEU A 35 111.638 -4.171 -11.065 1.00 0.00 C ATOM 537 CG LEU A 35 112.122 -5.309 -11.972 1.00 0.00 C ATOM 538 CD1 LEU A 35 113.481 -4.942 -12.573 1.00 0.00 C ATOM 539 CD2 LEU A 35 112.267 -6.591 -11.149 1.00 0.00 C ATOM 0 H LEU A 35 109.482 -4.812 -12.035 1.00 0.00 H new ATOM 0 HA LEU A 35 110.741 -2.199 -11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 35 112.493 -3.675 -10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 35 111.031 -4.576 -10.255 1.00 0.00 H new ATOM 0 HG LEU A 35 111.398 -5.465 -12.772 1.00 0.00 H new ATOM 0 HD11 LEU A 35 113.824 -5.751 -13.217 1.00 0.00 H new ATOM 0 HD12 LEU A 35 113.385 -4.028 -13.159 1.00 0.00 H new ATOM 0 HD13 LEU A 35 114.203 -4.785 -11.772 1.00 0.00 H new ATOM 0 HD21 LEU A 35 112.611 -7.400 -11.793 1.00 0.00 H new ATOM 0 HD22 LEU A 35 112.991 -6.431 -10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 35 111.302 -6.857 -10.717 1.00 0.00 H new ATOM 551 N ASN A 36 112.212 -1.787 -13.315 1.00 0.00 N ATOM 552 CA ASN A 36 112.886 -1.446 -14.601 1.00 0.00 C ATOM 553 C ASN A 36 114.380 -1.767 -14.505 1.00 0.00 C ATOM 554 O ASN A 36 114.792 -2.611 -13.733 1.00 0.00 O ATOM 555 CB ASN A 36 112.662 0.056 -14.778 1.00 0.00 C ATOM 556 CG ASN A 36 111.162 0.337 -14.875 1.00 0.00 C ATOM 557 OD1 ASN A 36 110.565 0.152 -15.917 1.00 0.00 O ATOM 558 ND2 ASN A 36 110.524 0.779 -13.826 1.00 0.00 N ATOM 0 H ASN A 36 112.376 -1.129 -12.553 1.00 0.00 H new ATOM 0 HA ASN A 36 112.493 -2.013 -15.445 1.00 0.00 H new ATOM 0 HB2 ASN A 36 113.092 0.601 -13.937 1.00 0.00 H new ATOM 0 HB3 ASN A 36 113.168 0.407 -15.677 1.00 0.00 H new ATOM 0 HD21 ASN A 36 109.523 0.969 -13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 36 111.026 0.934 -12.952 1.00 0.00 H new ATOM 565 N ARG A 37 115.195 -1.101 -15.279 1.00 0.00 N ATOM 566 CA ARG A 37 116.663 -1.369 -15.228 1.00 0.00 C ATOM 567 C ARG A 37 117.194 -1.143 -13.810 1.00 0.00 C ATOM 568 O ARG A 37 116.436 -0.949 -12.878 1.00 0.00 O ATOM 569 CB ARG A 37 117.288 -0.366 -16.202 1.00 0.00 C ATOM 570 CG ARG A 37 116.915 1.061 -15.786 1.00 0.00 C ATOM 571 CD ARG A 37 117.899 2.050 -16.414 1.00 0.00 C ATOM 572 NE ARG A 37 117.624 1.989 -17.876 1.00 0.00 N ATOM 573 CZ ARG A 37 118.232 1.104 -18.618 1.00 0.00 C ATOM 574 NH1 ARG A 37 119.517 0.918 -18.494 1.00 0.00 N ATOM 575 NH2 ARG A 37 117.552 0.401 -19.484 1.00 0.00 N ATOM 0 H ARG A 37 114.908 -0.383 -15.944 1.00 0.00 H new ATOM 0 HA ARG A 37 116.902 -2.398 -15.496 1.00 0.00 H new ATOM 0 HB2 ARG A 37 118.372 -0.481 -16.211 1.00 0.00 H new ATOM 0 HB3 ARG A 37 116.938 -0.563 -17.215 1.00 0.00 H new ATOM 0 HG2 ARG A 37 115.899 1.290 -16.106 1.00 0.00 H new ATOM 0 HG3 ARG A 37 116.935 1.152 -14.700 1.00 0.00 H new ATOM 0 HD2 ARG A 37 117.749 3.057 -16.026 1.00 0.00 H new ATOM 0 HD3 ARG A 37 118.930 1.774 -16.194 1.00 0.00 H new ATOM 0 HE ARG A 37 116.960 2.639 -18.298 1.00 0.00 H new ATOM 0 HH11 ARG A 37 120.048 1.465 -17.816 1.00 0.00 H new ATOM 0 HH12 ARG A 37 119.991 0.226 -19.075 1.00 0.00 H new ATOM 0 HH21 ARG A 37 116.547 0.544 -19.580 1.00 0.00 H new ATOM 0 HH22 ARG A 37 118.026 -0.291 -20.064 1.00 0.00 H new ATOM 589 N PHE A 38 118.494 -1.165 -13.641 1.00 0.00 N ATOM 590 CA PHE A 38 119.094 -0.948 -12.286 1.00 0.00 C ATOM 591 C PHE A 38 118.746 -2.101 -11.331 1.00 0.00 C ATOM 592 O PHE A 38 119.126 -2.085 -10.176 1.00 0.00 O ATOM 593 CB PHE A 38 118.487 0.365 -11.781 1.00 0.00 C ATOM 594 CG PHE A 38 119.540 1.178 -11.068 1.00 0.00 C ATOM 595 CD1 PHE A 38 120.743 1.488 -11.712 1.00 0.00 C ATOM 596 CD2 PHE A 38 119.310 1.623 -9.761 1.00 0.00 C ATOM 597 CE1 PHE A 38 121.716 2.246 -11.050 1.00 0.00 C ATOM 598 CE2 PHE A 38 120.283 2.380 -9.098 1.00 0.00 C ATOM 599 CZ PHE A 38 121.487 2.692 -9.743 1.00 0.00 C ATOM 0 H PHE A 38 119.170 -1.325 -14.388 1.00 0.00 H new ATOM 0 HA PHE A 38 120.182 -0.908 -12.335 1.00 0.00 H new ATOM 0 HB2 PHE A 38 118.081 0.934 -12.618 1.00 0.00 H new ATOM 0 HB3 PHE A 38 117.657 0.156 -11.105 1.00 0.00 H new ATOM 0 HD1 PHE A 38 120.921 1.142 -12.720 1.00 0.00 H new ATOM 0 HD2 PHE A 38 118.382 1.382 -9.264 1.00 0.00 H new ATOM 0 HE1 PHE A 38 122.644 2.487 -11.548 1.00 0.00 H new ATOM 0 HE2 PHE A 38 120.106 2.723 -8.090 1.00 0.00 H new ATOM 0 HZ PHE A 38 122.238 3.276 -9.232 1.00 0.00 H new ATOM 609 N GLY A 39 118.039 -3.103 -11.799 1.00 0.00 N ATOM 610 CA GLY A 39 117.675 -4.254 -10.919 1.00 0.00 C ATOM 611 C GLY A 39 117.159 -3.750 -9.566 1.00 0.00 C ATOM 612 O GLY A 39 117.346 -4.385 -8.546 1.00 0.00 O ATOM 0 H GLY A 39 117.698 -3.171 -12.758 1.00 0.00 H new ATOM 0 HA2 GLY A 39 116.911 -4.863 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 39 118.544 -4.894 -10.768 1.00 0.00 H new ATOM 616 N ARG A 40 116.515 -2.611 -9.548 1.00 0.00 N ATOM 617 CA ARG A 40 115.995 -2.067 -8.258 1.00 0.00 C ATOM 618 C ARG A 40 114.484 -2.297 -8.144 1.00 0.00 C ATOM 619 O ARG A 40 113.893 -3.027 -8.915 1.00 0.00 O ATOM 620 CB ARG A 40 116.304 -0.568 -8.302 1.00 0.00 C ATOM 621 CG ARG A 40 117.526 -0.266 -7.429 1.00 0.00 C ATOM 622 CD ARG A 40 117.323 1.068 -6.704 1.00 0.00 C ATOM 623 NE ARG A 40 118.638 1.366 -6.067 1.00 0.00 N ATOM 624 CZ ARG A 40 119.022 0.695 -5.016 1.00 0.00 C ATOM 625 NH1 ARG A 40 118.550 1.000 -3.837 1.00 0.00 N ATOM 626 NH2 ARG A 40 119.882 -0.279 -5.142 1.00 0.00 N ATOM 0 H ARG A 40 116.327 -2.036 -10.369 1.00 0.00 H new ATOM 0 HA ARG A 40 116.453 -2.555 -7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 40 116.493 -0.256 -9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 40 115.444 0.001 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 40 117.674 -1.066 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 40 118.424 -0.224 -8.045 1.00 0.00 H new ATOM 0 HD2 ARG A 40 117.034 1.855 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 40 116.531 0.995 -5.959 1.00 0.00 H new ATOM 0 HE ARG A 40 119.238 2.095 -6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 40 117.881 1.763 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 40 118.851 0.475 -3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 40 120.254 -0.515 -6.062 1.00 0.00 H new ATOM 0 HH22 ARG A 40 120.182 -0.804 -4.320 1.00 0.00 H new ATOM 640 N ARG A 41 113.860 -1.673 -7.180 1.00 0.00 N ATOM 641 CA ARG A 41 112.387 -1.840 -6.994 1.00 0.00 C ATOM 642 C ARG A 41 111.693 -0.480 -7.170 1.00 0.00 C ATOM 643 O ARG A 41 112.354 0.517 -7.380 1.00 0.00 O ATOM 644 CB ARG A 41 112.225 -2.355 -5.556 1.00 0.00 C ATOM 645 CG ARG A 41 113.207 -3.505 -5.293 1.00 0.00 C ATOM 646 CD ARG A 41 112.438 -4.741 -4.818 1.00 0.00 C ATOM 647 NE ARG A 41 112.186 -5.533 -6.054 1.00 0.00 N ATOM 648 CZ ARG A 41 113.010 -6.485 -6.399 1.00 0.00 C ATOM 649 NH1 ARG A 41 114.297 -6.322 -6.253 1.00 0.00 N ATOM 650 NH2 ARG A 41 112.547 -7.603 -6.890 1.00 0.00 N ATOM 0 H ARG A 41 114.310 -1.051 -6.509 1.00 0.00 H new ATOM 0 HA ARG A 41 111.943 -2.525 -7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 41 112.404 -1.545 -4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 41 111.202 -2.696 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 41 113.762 -3.737 -6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 41 113.937 -3.208 -4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 41 113.018 -5.313 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 41 111.504 -4.462 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 41 111.369 -5.332 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 41 114.660 -5.450 -5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 41 114.939 -7.067 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 41 111.542 -7.732 -7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 41 113.191 -8.347 -7.160 1.00 0.00 H new ATOM 664 N PRO A 42 110.384 -0.473 -7.082 1.00 0.00 N ATOM 665 CA PRO A 42 109.628 0.797 -7.243 1.00 0.00 C ATOM 666 C PRO A 42 109.851 1.721 -6.040 1.00 0.00 C ATOM 667 O PRO A 42 109.632 2.915 -6.120 1.00 0.00 O ATOM 668 CB PRO A 42 108.172 0.343 -7.328 1.00 0.00 C ATOM 669 CG PRO A 42 108.139 -0.977 -6.630 1.00 0.00 C ATOM 670 CD PRO A 42 109.490 -1.613 -6.832 1.00 0.00 C ATOM 0 HA PRO A 42 109.940 1.369 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 42 107.506 1.060 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 42 107.847 0.250 -8.364 1.00 0.00 H new ATOM 0 HG2 PRO A 42 107.928 -0.847 -5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 42 107.350 -1.609 -7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 42 109.800 -2.179 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 42 109.483 -2.307 -7.672 1.00 0.00 H new ATOM 678 N ILE A 43 110.293 1.188 -4.932 1.00 0.00 N ATOM 679 CA ILE A 43 110.534 2.050 -3.736 1.00 0.00 C ATOM 680 C ILE A 43 112.027 2.066 -3.394 1.00 0.00 C ATOM 681 O ILE A 43 112.559 3.064 -2.954 1.00 0.00 O ATOM 682 CB ILE A 43 109.723 1.416 -2.605 1.00 0.00 C ATOM 683 CG1 ILE A 43 108.229 1.536 -2.925 1.00 0.00 C ATOM 684 CG2 ILE A 43 110.021 2.143 -1.290 1.00 0.00 C ATOM 685 CD1 ILE A 43 107.403 0.949 -1.777 1.00 0.00 C ATOM 0 H ILE A 43 110.497 0.197 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 43 110.236 3.084 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 43 109.995 0.365 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 43 107.964 2.582 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 43 108.003 1.011 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 43 109.442 1.690 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 43 111.084 2.063 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 43 109.749 3.194 -1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 43 106.342 1.037 -2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 43 107.659 -0.102 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 43 107.619 1.494 -0.858 1.00 0.00 H new ATOM 697 N GLN A 44 112.710 0.971 -3.595 1.00 0.00 N ATOM 698 CA GLN A 44 114.171 0.934 -3.280 1.00 0.00 C ATOM 699 C GLN A 44 114.893 2.086 -3.988 1.00 0.00 C ATOM 700 O GLN A 44 115.894 2.587 -3.517 1.00 0.00 O ATOM 701 CB GLN A 44 114.661 -0.413 -3.812 1.00 0.00 C ATOM 702 CG GLN A 44 115.941 -0.816 -3.079 1.00 0.00 C ATOM 703 CD GLN A 44 116.678 -1.885 -3.888 1.00 0.00 C ATOM 704 OE1 GLN A 44 116.079 -2.589 -4.677 1.00 0.00 O ATOM 705 NE2 GLN A 44 117.964 -2.036 -3.727 1.00 0.00 N ATOM 0 H GLN A 44 112.323 0.102 -3.963 1.00 0.00 H new ATOM 0 HA GLN A 44 114.365 1.044 -2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 44 113.893 -1.173 -3.670 1.00 0.00 H new ATOM 0 HB3 GLN A 44 114.849 -0.346 -4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 44 116.582 0.055 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 44 115.700 -1.198 -2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 44 118.468 -1.446 -3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 44 118.465 -2.744 -4.263 1.00 0.00 H new ATOM 714 N VAL A 45 114.383 2.512 -5.114 1.00 0.00 N ATOM 715 CA VAL A 45 115.030 3.636 -5.853 1.00 0.00 C ATOM 716 C VAL A 45 114.400 4.977 -5.444 1.00 0.00 C ATOM 717 O VAL A 45 114.814 6.028 -5.893 1.00 0.00 O ATOM 718 CB VAL A 45 114.774 3.342 -7.335 1.00 0.00 C ATOM 719 CG1 VAL A 45 113.275 3.445 -7.641 1.00 0.00 C ATOM 720 CG2 VAL A 45 115.536 4.356 -8.190 1.00 0.00 C ATOM 0 H VAL A 45 113.546 2.130 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 45 116.095 3.712 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 45 115.116 2.333 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 45 113.104 3.234 -8.697 1.00 0.00 H new ATOM 0 HG12 VAL A 45 112.729 2.723 -7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 45 112.925 4.451 -7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 45 115.356 4.150 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 45 115.192 5.363 -7.953 1.00 0.00 H new ATOM 0 HG23 VAL A 45 116.603 4.279 -7.982 1.00 0.00 H new ATOM 730 N MET A 46 113.403 4.943 -4.598 1.00 0.00 N ATOM 731 CA MET A 46 112.741 6.207 -4.157 1.00 0.00 C ATOM 732 C MET A 46 113.772 7.166 -3.555 1.00 0.00 C ATOM 733 O MET A 46 114.801 6.753 -3.055 1.00 0.00 O ATOM 734 CB MET A 46 111.737 5.767 -3.086 1.00 0.00 C ATOM 735 CG MET A 46 110.599 6.787 -2.985 1.00 0.00 C ATOM 736 SD MET A 46 110.433 7.356 -1.271 1.00 0.00 S ATOM 737 CE MET A 46 110.240 5.731 -0.498 1.00 0.00 C ATOM 0 H MET A 46 113.017 4.090 -4.192 1.00 0.00 H new ATOM 0 HA MET A 46 112.263 6.733 -4.983 1.00 0.00 H new ATOM 0 HB2 MET A 46 111.335 4.785 -3.334 1.00 0.00 H new ATOM 0 HB3 MET A 46 112.238 5.672 -2.123 1.00 0.00 H new ATOM 0 HG2 MET A 46 110.799 7.634 -3.641 1.00 0.00 H new ATOM 0 HG3 MET A 46 109.665 6.337 -3.320 1.00 0.00 H new ATOM 0 HE1 MET A 46 109.911 5.856 0.534 1.00 0.00 H new ATOM 0 HE2 MET A 46 109.498 5.152 -1.048 1.00 0.00 H new ATOM 0 HE3 MET A 46 111.195 5.205 -0.513 1.00 0.00 H new ATOM 747 N MET A 47 113.499 8.443 -3.592 1.00 0.00 N ATOM 748 CA MET A 47 114.457 9.430 -3.010 1.00 0.00 C ATOM 749 C MET A 47 114.455 9.329 -1.480 1.00 0.00 C ATOM 750 O MET A 47 115.250 9.955 -0.806 1.00 0.00 O ATOM 751 CB MET A 47 113.939 10.799 -3.457 1.00 0.00 C ATOM 752 CG MET A 47 115.034 11.851 -3.261 1.00 0.00 C ATOM 753 SD MET A 47 114.755 12.737 -1.707 1.00 0.00 S ATOM 754 CE MET A 47 113.181 13.504 -2.162 1.00 0.00 C ATOM 0 H MET A 47 112.655 8.846 -3.999 1.00 0.00 H new ATOM 0 HA MET A 47 115.481 9.255 -3.340 1.00 0.00 H new ATOM 0 HB2 MET A 47 113.640 10.762 -4.504 1.00 0.00 H new ATOM 0 HB3 MET A 47 113.053 11.070 -2.882 1.00 0.00 H new ATOM 0 HG2 MET A 47 116.013 11.373 -3.248 1.00 0.00 H new ATOM 0 HG3 MET A 47 115.033 12.552 -4.096 1.00 0.00 H new ATOM 0 HE1 MET A 47 113.153 14.527 -1.787 1.00 0.00 H new ATOM 0 HE2 MET A 47 113.080 13.512 -3.247 1.00 0.00 H new ATOM 0 HE3 MET A 47 112.360 12.936 -1.726 1.00 0.00 H new ATOM 764 N MET A 48 113.563 8.544 -0.926 1.00 0.00 N ATOM 765 CA MET A 48 113.496 8.394 0.557 1.00 0.00 C ATOM 766 C MET A 48 113.381 9.766 1.228 1.00 0.00 C ATOM 767 O MET A 48 113.747 9.942 2.373 1.00 0.00 O ATOM 768 CB MET A 48 114.799 7.692 0.949 1.00 0.00 C ATOM 769 CG MET A 48 114.864 6.318 0.272 1.00 0.00 C ATOM 770 SD MET A 48 113.503 5.280 0.867 1.00 0.00 S ATOM 771 CE MET A 48 113.565 4.033 -0.442 1.00 0.00 C ATOM 0 H MET A 48 112.875 7.998 -1.444 1.00 0.00 H new ATOM 0 HA MET A 48 112.624 7.823 0.875 1.00 0.00 H new ATOM 0 HB2 MET A 48 115.655 8.297 0.650 1.00 0.00 H new ATOM 0 HB3 MET A 48 114.852 7.578 2.032 1.00 0.00 H new ATOM 0 HG2 MET A 48 114.801 6.432 -0.810 1.00 0.00 H new ATOM 0 HG3 MET A 48 115.820 5.840 0.488 1.00 0.00 H new ATOM 0 HE1 MET A 48 112.572 3.909 -0.874 1.00 0.00 H new ATOM 0 HE2 MET A 48 114.261 4.354 -1.217 1.00 0.00 H new ATOM 0 HE3 MET A 48 113.900 3.083 -0.024 1.00 0.00 H new ATOM 781 N GLY A 49 112.863 10.733 0.520 1.00 0.00 N ATOM 782 CA GLY A 49 112.706 12.094 1.107 1.00 0.00 C ATOM 783 C GLY A 49 111.220 12.469 1.147 1.00 0.00 C ATOM 784 O GLY A 49 110.835 13.437 1.773 1.00 0.00 O ATOM 0 H GLY A 49 112.541 10.638 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.124 12.117 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.259 12.823 0.515 1.00 0.00 H new ATOM 788 N SER A 50 110.381 11.711 0.484 1.00 0.00 N ATOM 789 CA SER A 50 108.924 12.028 0.486 1.00 0.00 C ATOM 790 C SER A 50 108.110 10.783 0.850 1.00 0.00 C ATOM 791 O SER A 50 108.072 9.817 0.112 1.00 0.00 O ATOM 792 CB SER A 50 108.614 12.471 -0.943 1.00 0.00 C ATOM 793 OG SER A 50 108.879 13.861 -1.072 1.00 0.00 O ATOM 0 H SER A 50 110.645 10.888 -0.057 1.00 0.00 H new ATOM 0 HA SER A 50 108.670 12.797 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 50 109.221 11.906 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 50 107.571 12.264 -1.182 1.00 0.00 H new ATOM 0 HG SER A 50 108.683 14.148 -1.988 1.00 0.00 H new ATOM 799 N ALA A 51 107.459 10.801 1.983 1.00 0.00 N ATOM 800 CA ALA A 51 106.643 9.621 2.398 1.00 0.00 C ATOM 801 C ALA A 51 105.475 9.404 1.427 1.00 0.00 C ATOM 802 O ALA A 51 104.845 8.365 1.428 1.00 0.00 O ATOM 803 CB ALA A 51 106.121 9.968 3.792 1.00 0.00 C ATOM 0 H ALA A 51 107.457 11.582 2.639 1.00 0.00 H new ATOM 0 HA ALA A 51 107.228 8.701 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 51 105.510 9.147 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 51 106.962 10.131 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 51 105.518 10.874 3.739 1.00 0.00 H new ATOM 809 N GLN A 52 105.185 10.372 0.596 1.00 0.00 N ATOM 810 CA GLN A 52 104.055 10.202 -0.373 1.00 0.00 C ATOM 811 C GLN A 52 104.463 9.228 -1.480 1.00 0.00 C ATOM 812 O GLN A 52 103.629 8.622 -2.122 1.00 0.00 O ATOM 813 CB GLN A 52 103.731 11.580 -0.978 1.00 0.00 C ATOM 814 CG GLN A 52 104.361 12.724 -0.178 1.00 0.00 C ATOM 815 CD GLN A 52 103.880 14.064 -0.737 1.00 0.00 C ATOM 816 OE1 GLN A 52 104.678 14.890 -1.135 1.00 0.00 O ATOM 817 NE2 GLN A 52 102.601 14.318 -0.785 1.00 0.00 N ATOM 0 H GLN A 52 105.675 11.265 0.544 1.00 0.00 H new ATOM 0 HA GLN A 52 103.179 9.800 0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 52 104.090 11.617 -2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 52 102.650 11.715 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 52 104.090 12.639 0.874 1.00 0.00 H new ATOM 0 HG3 GLN A 52 105.448 12.664 -0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 52 101.931 13.625 -0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 52 102.272 15.209 -1.156 1.00 0.00 H new ATOM 826 N VAL A 53 105.741 9.069 -1.710 1.00 0.00 N ATOM 827 CA VAL A 53 106.196 8.131 -2.777 1.00 0.00 C ATOM 828 C VAL A 53 106.258 6.700 -2.232 1.00 0.00 C ATOM 829 O VAL A 53 105.951 5.749 -2.925 1.00 0.00 O ATOM 830 CB VAL A 53 107.594 8.611 -3.174 1.00 0.00 C ATOM 831 CG1 VAL A 53 108.069 7.825 -4.394 1.00 0.00 C ATOM 832 CG2 VAL A 53 107.555 10.102 -3.521 1.00 0.00 C ATOM 0 H VAL A 53 106.487 9.548 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 53 105.515 8.122 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 53 108.278 8.453 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 53 109.065 8.164 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 53 108.103 6.763 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 53 107.379 7.986 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.554 10.436 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.870 10.264 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.214 10.668 -2.655 1.00 0.00 H new ATOM 842 N ALA A 54 106.655 6.543 -0.997 1.00 0.00 N ATOM 843 CA ALA A 54 106.739 5.172 -0.406 1.00 0.00 C ATOM 844 C ALA A 54 105.334 4.600 -0.188 1.00 0.00 C ATOM 845 O ALA A 54 104.999 3.547 -0.693 1.00 0.00 O ATOM 846 CB ALA A 54 107.459 5.354 0.934 1.00 0.00 C ATOM 0 H ALA A 54 106.925 7.302 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 54 107.267 4.477 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 54 107.558 4.387 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 54 108.449 5.776 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 54 106.883 6.028 1.568 1.00 0.00 H new ATOM 852 N GLU A 55 104.514 5.288 0.560 1.00 0.00 N ATOM 853 CA GLU A 55 103.129 4.787 0.814 1.00 0.00 C ATOM 854 C GLU A 55 102.368 4.624 -0.505 1.00 0.00 C ATOM 855 O GLU A 55 101.713 3.626 -0.735 1.00 0.00 O ATOM 856 CB GLU A 55 102.472 5.862 1.681 1.00 0.00 C ATOM 857 CG GLU A 55 101.239 5.279 2.375 1.00 0.00 C ATOM 858 CD GLU A 55 99.984 5.642 1.577 1.00 0.00 C ATOM 859 OE1 GLU A 55 99.928 6.749 1.070 1.00 0.00 O ATOM 860 OE2 GLU A 55 99.101 4.805 1.487 1.00 0.00 O ATOM 0 H GLU A 55 104.742 6.176 1.007 1.00 0.00 H new ATOM 0 HA GLU A 55 103.129 3.811 1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 55 103.181 6.228 2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 55 102.186 6.715 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 55 101.332 4.196 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 55 101.162 5.668 3.390 1.00 0.00 H new ATOM 867 N LEU A 56 102.446 5.600 -1.369 1.00 0.00 N ATOM 868 CA LEU A 56 101.725 5.509 -2.675 1.00 0.00 C ATOM 869 C LEU A 56 102.074 4.201 -3.396 1.00 0.00 C ATOM 870 O LEU A 56 101.205 3.455 -3.803 1.00 0.00 O ATOM 871 CB LEU A 56 102.215 6.719 -3.479 1.00 0.00 C ATOM 872 CG LEU A 56 101.702 6.634 -4.920 1.00 0.00 C ATOM 873 CD1 LEU A 56 100.172 6.660 -4.926 1.00 0.00 C ATOM 874 CD2 LEU A 56 102.234 7.826 -5.719 1.00 0.00 C ATOM 0 H LEU A 56 102.978 6.459 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 56 100.642 5.512 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 56 101.865 7.641 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 56 103.304 6.752 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 56 102.048 5.705 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 56 99.811 6.599 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 56 99.791 5.812 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 56 99.822 7.587 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 56 101.870 7.768 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 56 101.887 8.753 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 56 103.324 7.807 -5.719 1.00 0.00 H new ATOM 886 N LEU A 57 103.337 3.925 -3.566 1.00 0.00 N ATOM 887 CA LEU A 57 103.742 2.675 -4.273 1.00 0.00 C ATOM 888 C LEU A 57 103.430 1.440 -3.420 1.00 0.00 C ATOM 889 O LEU A 57 103.161 0.374 -3.939 1.00 0.00 O ATOM 890 CB LEU A 57 105.250 2.812 -4.488 1.00 0.00 C ATOM 891 CG LEU A 57 105.516 3.361 -5.890 1.00 0.00 C ATOM 892 CD1 LEU A 57 106.996 3.733 -6.027 1.00 0.00 C ATOM 893 CD2 LEU A 57 105.158 2.296 -6.930 1.00 0.00 C ATOM 0 H LEU A 57 104.108 4.511 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 57 103.203 2.547 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 57 105.676 3.478 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 57 105.735 1.843 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 57 104.905 4.249 -6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 57 107.182 4.124 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 57 107.250 4.493 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 57 107.610 2.848 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 57 105.347 2.686 -7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 57 105.768 1.408 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 57 104.104 2.035 -6.836 1.00 0.00 H new ATOM 905 N LEU A 58 103.469 1.569 -2.119 1.00 0.00 N ATOM 906 CA LEU A 58 103.183 0.389 -1.248 1.00 0.00 C ATOM 907 C LEU A 58 101.681 0.089 -1.208 1.00 0.00 C ATOM 908 O LEU A 58 101.258 -1.013 -1.496 1.00 0.00 O ATOM 909 CB LEU A 58 103.688 0.775 0.142 1.00 0.00 C ATOM 910 CG LEU A 58 104.214 -0.475 0.856 1.00 0.00 C ATOM 911 CD1 LEU A 58 104.704 -0.099 2.253 1.00 0.00 C ATOM 912 CD2 LEU A 58 103.091 -1.509 0.976 1.00 0.00 C ATOM 0 H LEU A 58 103.685 2.434 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 58 103.670 -0.511 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 58 104.479 1.521 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.883 1.227 0.721 1.00 0.00 H new ATOM 0 HG LEU A 58 105.038 -0.897 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.078 -0.989 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.505 0.636 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.879 0.325 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.467 -2.397 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.266 -1.085 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 58 102.740 -1.782 -0.019 1.00 0.00 H new ATOM 924 N LEU A 59 100.871 1.052 -0.848 1.00 0.00 N ATOM 925 CA LEU A 59 99.399 0.798 -0.788 1.00 0.00 C ATOM 926 C LEU A 59 98.906 0.241 -2.129 1.00 0.00 C ATOM 927 O LEU A 59 97.943 -0.499 -2.189 1.00 0.00 O ATOM 928 CB LEU A 59 98.758 2.158 -0.474 1.00 0.00 C ATOM 929 CG LEU A 59 98.798 3.068 -1.706 1.00 0.00 C ATOM 930 CD1 LEU A 59 97.546 2.834 -2.556 1.00 0.00 C ATOM 931 CD2 LEU A 59 98.833 4.529 -1.253 1.00 0.00 C ATOM 0 H LEU A 59 101.162 1.996 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 59 99.137 0.060 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 59 97.726 2.015 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 59 99.285 2.633 0.353 1.00 0.00 H new ATOM 0 HG LEU A 59 99.686 2.843 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 59 97.575 3.482 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 59 97.513 1.792 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 59 96.658 3.061 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 59 98.862 5.180 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 59 97.942 4.749 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 59 99.721 4.700 -0.644 1.00 0.00 H new ATOM 943 N HIS A 60 99.566 0.587 -3.203 1.00 0.00 N ATOM 944 CA HIS A 60 99.144 0.072 -4.538 1.00 0.00 C ATOM 945 C HIS A 60 99.569 -1.392 -4.688 1.00 0.00 C ATOM 946 O HIS A 60 98.757 -2.263 -4.933 1.00 0.00 O ATOM 947 CB HIS A 60 99.875 0.952 -5.555 1.00 0.00 C ATOM 948 CG HIS A 60 98.991 2.102 -5.955 1.00 0.00 C ATOM 949 ND1 HIS A 60 98.299 2.119 -7.156 1.00 0.00 N ATOM 950 CD2 HIS A 60 98.681 3.283 -5.328 1.00 0.00 C ATOM 951 CE1 HIS A 60 97.614 3.275 -7.214 1.00 0.00 C ATOM 952 NE2 HIS A 60 97.811 4.022 -6.124 1.00 0.00 N ATOM 0 H HIS A 60 100.378 1.204 -3.213 1.00 0.00 H new ATOM 0 HA HIS A 60 98.063 0.109 -4.676 1.00 0.00 H new ATOM 0 HB2 HIS A 60 100.804 1.327 -5.125 1.00 0.00 H new ATOM 0 HB3 HIS A 60 100.144 0.364 -6.433 1.00 0.00 H new ATOM 0 HD2 HIS A 60 99.055 3.592 -4.363 1.00 0.00 H new ATOM 0 HE1 HIS A 60 96.982 3.564 -8.041 1.00 0.00 H new ATOM 0 HE2 HIS A 60 97.410 4.937 -5.919 1.00 0.00 H new ATOM 960 N GLY A 61 100.841 -1.668 -4.544 1.00 0.00 N ATOM 961 CA GLY A 61 101.323 -3.065 -4.676 1.00 0.00 C ATOM 962 C GLY A 61 102.815 -3.065 -5.024 1.00 0.00 C ATOM 963 O GLY A 61 103.256 -3.793 -5.894 1.00 0.00 O ATOM 0 H GLY A 61 101.565 -0.979 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.157 -3.607 -3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 61 100.759 -3.583 -5.451 1.00 0.00 H new ATOM 967 N ALA A 62 103.593 -2.252 -4.359 1.00 0.00 N ATOM 968 CA ALA A 62 105.055 -2.204 -4.658 1.00 0.00 C ATOM 969 C ALA A 62 105.768 -3.417 -4.057 1.00 0.00 C ATOM 970 O ALA A 62 105.144 -4.354 -3.598 1.00 0.00 O ATOM 971 CB ALA A 62 105.555 -0.915 -4.004 1.00 0.00 C ATOM 0 H ALA A 62 103.280 -1.620 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 62 105.251 -2.223 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 62 106.625 -0.809 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 62 105.030 -0.062 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 62 105.367 -0.955 -2.931 1.00 0.00 H new ATOM 977 N GLU A 63 107.076 -3.404 -4.057 1.00 0.00 N ATOM 978 CA GLU A 63 107.837 -4.554 -3.489 1.00 0.00 C ATOM 979 C GLU A 63 108.632 -4.107 -2.257 1.00 0.00 C ATOM 980 O GLU A 63 109.817 -3.851 -2.344 1.00 0.00 O ATOM 981 CB GLU A 63 108.784 -4.993 -4.607 1.00 0.00 C ATOM 982 CG GLU A 63 108.110 -6.076 -5.454 1.00 0.00 C ATOM 983 CD GLU A 63 107.506 -5.441 -6.708 1.00 0.00 C ATOM 984 OE1 GLU A 63 107.033 -4.321 -6.611 1.00 0.00 O ATOM 985 OE2 GLU A 63 107.527 -6.087 -7.743 1.00 0.00 O ATOM 0 H GLU A 63 107.649 -2.646 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 63 107.182 -5.364 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 63 109.046 -4.139 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 63 109.713 -5.374 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 63 108.837 -6.839 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 63 107.332 -6.574 -4.875 1.00 0.00 H new ATOM 992 N PRO A 64 107.950 -4.032 -1.143 1.00 0.00 N ATOM 993 CA PRO A 64 108.606 -3.615 0.118 1.00 0.00 C ATOM 994 C PRO A 64 109.457 -4.758 0.678 1.00 0.00 C ATOM 995 O PRO A 64 110.428 -4.538 1.376 1.00 0.00 O ATOM 996 CB PRO A 64 107.435 -3.304 1.046 1.00 0.00 C ATOM 997 CG PRO A 64 106.291 -4.113 0.521 1.00 0.00 C ATOM 998 CD PRO A 64 106.524 -4.323 -0.954 1.00 0.00 C ATOM 0 HA PRO A 64 109.279 -2.767 -0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 64 107.667 -3.573 2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 64 107.200 -2.240 1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 64 106.228 -5.070 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 64 105.346 -3.596 0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 64 106.284 -5.343 -1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 64 105.900 -3.660 -1.553 1.00 0.00 H new ATOM 1006 N ASN A 65 109.101 -5.978 0.373 1.00 0.00 N ATOM 1007 CA ASN A 65 109.888 -7.138 0.884 1.00 0.00 C ATOM 1008 C ASN A 65 110.950 -7.546 -0.142 1.00 0.00 C ATOM 1009 O ASN A 65 112.074 -7.849 0.204 1.00 0.00 O ATOM 1010 CB ASN A 65 108.858 -8.257 1.077 1.00 0.00 C ATOM 1011 CG ASN A 65 109.565 -9.561 1.466 1.00 0.00 C ATOM 1012 OD1 ASN A 65 109.102 -10.635 1.135 1.00 0.00 O ATOM 1013 ND2 ASN A 65 110.673 -9.516 2.156 1.00 0.00 N ATOM 0 H ASN A 65 108.299 -6.221 -0.208 1.00 0.00 H new ATOM 0 HA ASN A 65 110.417 -6.910 1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 65 108.144 -7.976 1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 65 108.290 -8.402 0.158 1.00 0.00 H new ATOM 0 HD21 ASN A 65 111.148 -10.381 2.416 1.00 0.00 H new ATOM 0 HD22 ASN A 65 111.064 -8.616 2.435 1.00 0.00 H new ATOM 1020 N CYS A 66 110.602 -7.555 -1.403 1.00 0.00 N ATOM 1021 CA CYS A 66 111.594 -7.943 -2.451 1.00 0.00 C ATOM 1022 C CYS A 66 112.857 -7.085 -2.330 1.00 0.00 C ATOM 1023 O CYS A 66 112.808 -5.957 -1.877 1.00 0.00 O ATOM 1024 CB CYS A 66 110.896 -7.687 -3.781 1.00 0.00 C ATOM 1025 SG CYS A 66 110.715 -9.244 -4.688 1.00 0.00 S ATOM 0 H CYS A 66 109.675 -7.311 -1.752 1.00 0.00 H new ATOM 0 HA CYS A 66 111.907 -8.983 -2.354 1.00 0.00 H new ATOM 0 HB2 CYS A 66 109.917 -7.240 -3.608 1.00 0.00 H new ATOM 0 HB3 CYS A 66 111.471 -6.975 -4.373 1.00 0.00 H new ATOM 0 HG CYS A 66 110.117 -9.020 -5.820 1.00 0.00 H new ATOM 1031 N ALA A 67 113.984 -7.611 -2.725 1.00 0.00 N ATOM 1032 CA ALA A 67 115.248 -6.823 -2.624 1.00 0.00 C ATOM 1033 C ALA A 67 116.163 -7.121 -3.812 1.00 0.00 C ATOM 1034 O ALA A 67 115.788 -7.806 -4.744 1.00 0.00 O ATOM 1035 CB ALA A 67 115.899 -7.292 -1.324 1.00 0.00 C ATOM 0 H ALA A 67 114.086 -8.549 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 67 115.062 -5.749 -2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 67 116.838 -6.759 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.229 -7.089 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 67 116.095 -8.363 -1.381 1.00 0.00 H new ATOM 1041 N ASP A 68 117.365 -6.613 -3.780 1.00 0.00 N ATOM 1042 CA ASP A 68 118.318 -6.862 -4.898 1.00 0.00 C ATOM 1043 C ASP A 68 119.128 -8.136 -4.619 1.00 0.00 C ATOM 1044 O ASP A 68 119.749 -8.252 -3.583 1.00 0.00 O ATOM 1045 CB ASP A 68 119.233 -5.638 -4.913 1.00 0.00 C ATOM 1046 CG ASP A 68 119.885 -5.505 -6.290 1.00 0.00 C ATOM 1047 OD1 ASP A 68 119.221 -5.804 -7.269 1.00 0.00 O ATOM 1048 OD2 ASP A 68 121.037 -5.107 -6.343 1.00 0.00 O ATOM 0 H ASP A 68 117.729 -6.034 -3.024 1.00 0.00 H new ATOM 0 HA ASP A 68 117.814 -7.005 -5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 68 118.660 -4.740 -4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 68 119.999 -5.734 -4.144 1.00 0.00 H new ATOM 1053 N PRO A 69 119.096 -9.058 -5.550 1.00 0.00 N ATOM 1054 CA PRO A 69 119.844 -10.328 -5.378 1.00 0.00 C ATOM 1055 C PRO A 69 121.349 -10.095 -5.547 1.00 0.00 C ATOM 1056 O PRO A 69 122.161 -10.873 -5.083 1.00 0.00 O ATOM 1057 CB PRO A 69 119.302 -11.219 -6.494 1.00 0.00 C ATOM 1058 CG PRO A 69 118.799 -10.273 -7.538 1.00 0.00 C ATOM 1059 CD PRO A 69 118.376 -9.011 -6.830 1.00 0.00 C ATOM 0 HA PRO A 69 119.717 -10.767 -4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 69 120.081 -11.869 -6.893 1.00 0.00 H new ATOM 0 HB3 PRO A 69 118.503 -11.865 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 69 119.577 -10.060 -8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 69 117.960 -10.709 -8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 69 118.642 -8.124 -7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 69 117.297 -8.981 -6.679 1.00 0.00 H new ATOM 1067 N ALA A 70 121.727 -9.033 -6.209 1.00 0.00 N ATOM 1068 CA ALA A 70 123.178 -8.753 -6.410 1.00 0.00 C ATOM 1069 C ALA A 70 123.855 -8.418 -5.075 1.00 0.00 C ATOM 1070 O ALA A 70 125.059 -8.520 -4.942 1.00 0.00 O ATOM 1071 CB ALA A 70 123.224 -7.545 -7.348 1.00 0.00 C ATOM 0 H ALA A 70 121.093 -8.348 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 70 123.705 -9.614 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 70 124.262 -7.276 -7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 70 122.729 -7.794 -8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 70 122.713 -6.702 -6.882 1.00 0.00 H new ATOM 1077 N THR A 71 123.097 -8.013 -4.090 1.00 0.00 N ATOM 1078 CA THR A 71 123.714 -7.669 -2.772 1.00 0.00 C ATOM 1079 C THR A 71 122.677 -7.741 -1.643 1.00 0.00 C ATOM 1080 O THR A 71 122.849 -7.141 -0.602 1.00 0.00 O ATOM 1081 CB THR A 71 124.228 -6.235 -2.940 1.00 0.00 C ATOM 1082 OG1 THR A 71 124.766 -5.777 -1.708 1.00 0.00 O ATOM 1083 CG2 THR A 71 123.080 -5.315 -3.366 1.00 0.00 C ATOM 0 H THR A 71 122.084 -7.906 -4.139 1.00 0.00 H new ATOM 0 HA THR A 71 124.509 -8.364 -2.502 1.00 0.00 H new ATOM 0 HB THR A 71 125.003 -6.221 -3.707 1.00 0.00 H new ATOM 0 HG1 THR A 71 124.189 -6.067 -0.971 1.00 0.00 H new ATOM 0 HG21 THR A 71 123.453 -4.298 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 71 122.668 -5.662 -4.314 1.00 0.00 H new ATOM 0 HG23 THR A 71 122.300 -5.330 -2.605 1.00 0.00 H new ATOM 1091 N LEU A 72 121.606 -8.473 -1.839 1.00 0.00 N ATOM 1092 CA LEU A 72 120.553 -8.588 -0.773 1.00 0.00 C ATOM 1093 C LEU A 72 120.258 -7.215 -0.164 1.00 0.00 C ATOM 1094 O LEU A 72 120.532 -6.971 0.995 1.00 0.00 O ATOM 1095 CB LEU A 72 121.145 -9.519 0.298 1.00 0.00 C ATOM 1096 CG LEU A 72 121.925 -10.665 -0.356 1.00 0.00 C ATOM 1097 CD1 LEU A 72 122.385 -11.649 0.723 1.00 0.00 C ATOM 1098 CD2 LEU A 72 121.024 -11.392 -1.353 1.00 0.00 C ATOM 0 H LEU A 72 121.413 -8.998 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 72 119.617 -8.974 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 72 121.804 -8.953 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 72 120.345 -9.924 0.918 1.00 0.00 H new ATOM 0 HG LEU A 72 122.793 -10.262 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 72 122.940 -12.464 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 72 123.027 -11.133 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 72 121.516 -12.051 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 72 121.579 -12.207 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 72 120.156 -11.795 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 72 120.694 -10.693 -2.122 1.00 0.00 H new ATOM 1110 N THR A 73 119.722 -6.311 -0.933 1.00 0.00 N ATOM 1111 CA THR A 73 119.441 -4.953 -0.384 1.00 0.00 C ATOM 1112 C THR A 73 117.945 -4.629 -0.449 1.00 0.00 C ATOM 1113 O THR A 73 117.416 -4.293 -1.490 1.00 0.00 O ATOM 1114 CB THR A 73 120.243 -3.995 -1.272 1.00 0.00 C ATOM 1115 OG1 THR A 73 120.598 -4.647 -2.482 1.00 0.00 O ATOM 1116 CG2 THR A 73 121.512 -3.563 -0.536 1.00 0.00 C ATOM 0 H THR A 73 119.467 -6.450 -1.911 1.00 0.00 H new ATOM 0 HA THR A 73 119.722 -4.874 0.666 1.00 0.00 H new ATOM 0 HB THR A 73 119.635 -3.119 -1.499 1.00 0.00 H new ATOM 0 HG1 THR A 73 120.659 -3.987 -3.204 1.00 0.00 H new ATOM 0 HG21 THR A 73 122.084 -2.882 -1.166 1.00 0.00 H new ATOM 0 HG22 THR A 73 121.241 -3.059 0.391 1.00 0.00 H new ATOM 0 HG23 THR A 73 122.117 -4.441 -0.308 1.00 0.00 H new ATOM 1124 N ARG A 74 117.268 -4.711 0.667 1.00 0.00 N ATOM 1125 CA ARG A 74 115.810 -4.392 0.687 1.00 0.00 C ATOM 1126 C ARG A 74 115.625 -2.868 0.612 1.00 0.00 C ATOM 1127 O ARG A 74 116.581 -2.129 0.733 1.00 0.00 O ATOM 1128 CB ARG A 74 115.300 -4.941 2.027 1.00 0.00 C ATOM 1129 CG ARG A 74 114.117 -5.888 1.785 1.00 0.00 C ATOM 1130 CD ARG A 74 114.405 -7.259 2.407 1.00 0.00 C ATOM 1131 NE ARG A 74 115.486 -7.846 1.563 1.00 0.00 N ATOM 1132 CZ ARG A 74 115.577 -9.145 1.391 1.00 0.00 C ATOM 1133 NH1 ARG A 74 114.802 -9.969 2.050 1.00 0.00 N ATOM 1134 NH2 ARG A 74 116.461 -9.623 0.559 1.00 0.00 N ATOM 0 H ARG A 74 117.663 -4.986 1.566 1.00 0.00 H new ATOM 0 HA ARG A 74 115.267 -4.827 -0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 74 116.102 -5.470 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 74 114.993 -4.119 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 74 113.209 -5.467 2.218 1.00 0.00 H new ATOM 0 HG3 ARG A 74 113.940 -5.995 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 74 114.723 -7.163 3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 74 113.515 -7.889 2.403 1.00 0.00 H new ATOM 0 HE ARG A 74 116.164 -7.230 1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 74 114.114 -9.605 2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 74 114.886 -10.975 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 74 117.075 -8.989 0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 74 116.538 -10.631 0.420 1.00 0.00 H new ATOM 1148 N PRO A 75 114.403 -2.441 0.409 1.00 0.00 N ATOM 1149 CA PRO A 75 114.122 -0.986 0.316 1.00 0.00 C ATOM 1150 C PRO A 75 114.180 -0.327 1.702 1.00 0.00 C ATOM 1151 O PRO A 75 114.058 0.876 1.828 1.00 0.00 O ATOM 1152 CB PRO A 75 112.711 -0.930 -0.260 1.00 0.00 C ATOM 1153 CG PRO A 75 112.080 -2.233 0.114 1.00 0.00 C ATOM 1154 CD PRO A 75 113.187 -3.248 0.248 1.00 0.00 C ATOM 0 HA PRO A 75 114.849 -0.451 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 75 112.151 -0.090 0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 75 112.733 -0.800 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 75 111.530 -2.139 1.051 1.00 0.00 H new ATOM 0 HG3 PRO A 75 111.363 -2.545 -0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 75 113.026 -3.901 1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 75 113.248 -3.888 -0.632 1.00 0.00 H new ATOM 1162 N VAL A 76 114.368 -1.100 2.742 1.00 0.00 N ATOM 1163 CA VAL A 76 114.435 -0.507 4.113 1.00 0.00 C ATOM 1164 C VAL A 76 115.746 0.262 4.293 1.00 0.00 C ATOM 1165 O VAL A 76 115.793 1.279 4.955 1.00 0.00 O ATOM 1166 CB VAL A 76 114.379 -1.702 5.068 1.00 0.00 C ATOM 1167 CG1 VAL A 76 114.441 -1.212 6.517 1.00 0.00 C ATOM 1168 CG2 VAL A 76 113.072 -2.467 4.846 1.00 0.00 C ATOM 0 H VAL A 76 114.478 -2.113 2.702 1.00 0.00 H new ATOM 0 HA VAL A 76 113.625 0.198 4.296 1.00 0.00 H new ATOM 0 HB VAL A 76 115.227 -2.358 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 76 114.401 -2.067 7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 76 115.371 -0.667 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 76 113.595 -0.553 6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 76 113.029 -3.319 5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 76 112.227 -1.807 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 76 113.028 -2.821 3.816 1.00 0.00 H new ATOM 1178 N HIS A 77 116.812 -0.218 3.708 1.00 0.00 N ATOM 1179 CA HIS A 77 118.121 0.486 3.845 1.00 0.00 C ATOM 1180 C HIS A 77 118.036 1.889 3.240 1.00 0.00 C ATOM 1181 O HIS A 77 118.526 2.849 3.802 1.00 0.00 O ATOM 1182 CB HIS A 77 119.117 -0.368 3.060 1.00 0.00 C ATOM 1183 CG HIS A 77 119.472 -1.583 3.866 1.00 0.00 C ATOM 1184 ND1 HIS A 77 118.767 -2.772 3.761 1.00 0.00 N ATOM 1185 CD2 HIS A 77 120.453 -1.809 4.798 1.00 0.00 C ATOM 1186 CE1 HIS A 77 119.329 -3.652 4.609 1.00 0.00 C ATOM 1187 NE2 HIS A 77 120.362 -3.116 5.266 1.00 0.00 N ATOM 0 H HIS A 77 116.833 -1.066 3.142 1.00 0.00 H new ATOM 0 HA HIS A 77 118.414 0.604 4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 77 118.685 -0.665 2.104 1.00 0.00 H new ATOM 0 HB3 HIS A 77 120.014 0.210 2.838 1.00 0.00 H new ATOM 0 HD1 HIS A 77 117.968 -2.948 3.152 1.00 0.00 H new ATOM 0 HD2 HIS A 77 121.185 -1.083 5.120 1.00 0.00 H new ATOM 0 HE1 HIS A 77 118.987 -4.668 4.743 1.00 0.00 H new ATOM 1195 N ASP A 78 117.422 2.010 2.092 1.00 0.00 N ATOM 1196 CA ASP A 78 117.307 3.348 1.437 1.00 0.00 C ATOM 1197 C ASP A 78 116.632 4.348 2.379 1.00 0.00 C ATOM 1198 O ASP A 78 117.188 5.378 2.706 1.00 0.00 O ATOM 1199 CB ASP A 78 116.441 3.115 0.198 1.00 0.00 C ATOM 1200 CG ASP A 78 117.139 2.135 -0.747 1.00 0.00 C ATOM 1201 OD1 ASP A 78 118.197 2.479 -1.251 1.00 0.00 O ATOM 1202 OD2 ASP A 78 116.603 1.059 -0.955 1.00 0.00 O ATOM 0 H ASP A 78 116.994 1.239 1.579 1.00 0.00 H new ATOM 0 HA ASP A 78 118.283 3.762 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 78 115.468 2.720 0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 78 116.260 4.061 -0.313 1.00 0.00 H new ATOM 1207 N ALA A 79 115.437 4.053 2.818 1.00 0.00 N ATOM 1208 CA ALA A 79 114.729 4.989 3.742 1.00 0.00 C ATOM 1209 C ALA A 79 115.563 5.200 5.009 1.00 0.00 C ATOM 1210 O ALA A 79 115.498 6.235 5.641 1.00 0.00 O ATOM 1211 CB ALA A 79 113.403 4.297 4.072 1.00 0.00 C ATOM 0 H ALA A 79 114.921 3.207 2.578 1.00 0.00 H new ATOM 0 HA ALA A 79 114.569 5.972 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 79 112.824 4.925 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 79 112.838 4.136 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 79 113.602 3.337 4.548 1.00 0.00 H new ATOM 1217 N ALA A 80 116.353 4.227 5.376 1.00 0.00 N ATOM 1218 CA ALA A 80 117.201 4.366 6.596 1.00 0.00 C ATOM 1219 C ALA A 80 118.449 5.195 6.276 1.00 0.00 C ATOM 1220 O ALA A 80 119.008 5.854 7.133 1.00 0.00 O ATOM 1221 CB ALA A 80 117.587 2.936 6.973 1.00 0.00 C ATOM 0 H ALA A 80 116.448 3.339 4.882 1.00 0.00 H new ATOM 0 HA ALA A 80 116.681 4.874 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 80 118.214 2.951 7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 80 116.686 2.357 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 80 118.137 2.479 6.151 1.00 0.00 H new ATOM 1227 N ARG A 81 118.888 5.166 5.046 1.00 0.00 N ATOM 1228 CA ARG A 81 120.098 5.951 4.663 1.00 0.00 C ATOM 1229 C ARG A 81 119.776 7.449 4.638 1.00 0.00 C ATOM 1230 O ARG A 81 120.652 8.282 4.771 1.00 0.00 O ATOM 1231 CB ARG A 81 120.464 5.460 3.262 1.00 0.00 C ATOM 1232 CG ARG A 81 121.986 5.447 3.109 1.00 0.00 C ATOM 1233 CD ARG A 81 122.356 4.946 1.712 1.00 0.00 C ATOM 1234 NE ARG A 81 121.996 3.501 1.716 1.00 0.00 N ATOM 1235 CZ ARG A 81 122.481 2.708 0.802 1.00 0.00 C ATOM 1236 NH1 ARG A 81 122.505 3.089 -0.445 1.00 0.00 N ATOM 1237 NH2 ARG A 81 122.942 1.534 1.132 1.00 0.00 N ATOM 0 H ARG A 81 118.461 4.632 4.289 1.00 0.00 H new ATOM 0 HA ARG A 81 120.916 5.815 5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 81 120.063 4.460 3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 81 120.017 6.109 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 81 122.386 6.449 3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 81 122.433 4.804 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 81 121.809 5.487 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 81 123.418 5.088 1.509 1.00 0.00 H new ATOM 0 HE ARG A 81 121.371 3.132 2.433 1.00 0.00 H new ATOM 0 HH11 ARG A 81 122.144 4.007 -0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 81 122.884 2.469 -1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 81 122.924 1.234 2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 81 123.321 0.915 0.415 1.00 0.00 H new ATOM 1251 N GLU A 82 118.527 7.796 4.469 1.00 0.00 N ATOM 1252 CA GLU A 82 118.147 9.239 4.434 1.00 0.00 C ATOM 1253 C GLU A 82 117.646 9.689 5.812 1.00 0.00 C ATOM 1254 O GLU A 82 118.009 10.742 6.300 1.00 0.00 O ATOM 1255 CB GLU A 82 117.024 9.327 3.401 1.00 0.00 C ATOM 1256 CG GLU A 82 116.742 10.795 3.073 1.00 0.00 C ATOM 1257 CD GLU A 82 117.500 11.192 1.805 1.00 0.00 C ATOM 1258 OE1 GLU A 82 118.617 10.731 1.638 1.00 0.00 O ATOM 1259 OE2 GLU A 82 116.952 11.952 1.024 1.00 0.00 O ATOM 0 H GLU A 82 117.753 7.142 4.354 1.00 0.00 H new ATOM 0 HA GLU A 82 118.989 9.882 4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.306 8.789 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 82 116.123 8.851 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 82 115.672 10.948 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 82 117.048 11.429 3.905 1.00 0.00 H new ATOM 1266 N GLY A 83 116.815 8.900 6.441 1.00 0.00 N ATOM 1267 CA GLY A 83 116.293 9.285 7.786 1.00 0.00 C ATOM 1268 C GLY A 83 114.791 9.564 7.692 1.00 0.00 C ATOM 1269 O GLY A 83 114.253 10.362 8.434 1.00 0.00 O ATOM 0 H GLY A 83 116.476 8.007 6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 83 116.481 8.486 8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 83 116.815 10.169 8.151 1.00 0.00 H new ATOM 1273 N PHE A 84 114.113 8.913 6.785 1.00 0.00 N ATOM 1274 CA PHE A 84 112.646 9.140 6.643 1.00 0.00 C ATOM 1275 C PHE A 84 111.869 8.111 7.468 1.00 0.00 C ATOM 1276 O PHE A 84 111.555 7.036 6.996 1.00 0.00 O ATOM 1277 CB PHE A 84 112.355 8.953 5.148 1.00 0.00 C ATOM 1278 CG PHE A 84 111.130 9.809 4.715 1.00 0.00 C ATOM 1279 CD1 PHE A 84 111.120 11.199 4.817 1.00 0.00 C ATOM 1280 CD2 PHE A 84 110.768 10.396 3.453 1.00 0.00 C ATOM 1281 CE1 PHE A 84 109.984 10.843 4.046 1.00 0.00 C ATOM 1282 CE2 PHE A 84 111.524 10.989 4.481 1.00 0.00 C ATOM 1283 CZ PHE A 84 110.625 10.097 5.067 1.00 0.00 C ATOM 0 H PHE A 84 114.512 8.234 6.137 1.00 0.00 H new ATOM 0 HA PHE A 84 112.347 10.127 6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 84 113.230 9.239 4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 84 112.162 7.901 4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 84 111.655 12.040 5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 84 110.292 10.388 2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 84 109.233 11.008 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.313 11.697 4.688 1.00 0.00 H new ATOM 0 HZ PHE A 84 110.499 9.330 5.817 1.00 0.00 H new ATOM 1293 N LEU A 85 111.553 8.433 8.694 1.00 0.00 N ATOM 1294 CA LEU A 85 110.791 7.470 9.545 1.00 0.00 C ATOM 1295 C LEU A 85 109.421 7.196 8.921 1.00 0.00 C ATOM 1296 O LEU A 85 108.842 6.143 9.105 1.00 0.00 O ATOM 1297 CB LEU A 85 110.636 8.164 10.903 1.00 0.00 C ATOM 1298 CG LEU A 85 111.400 7.384 11.976 1.00 0.00 C ATOM 1299 CD1 LEU A 85 111.243 8.088 13.325 1.00 0.00 C ATOM 1300 CD2 LEU A 85 110.837 5.964 12.077 1.00 0.00 C ATOM 0 H LEU A 85 111.788 9.318 9.143 1.00 0.00 H new ATOM 0 HA LEU A 85 111.299 6.511 9.641 1.00 0.00 H new ATOM 0 HB2 LEU A 85 111.014 9.185 10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 85 109.581 8.229 11.170 1.00 0.00 H new ATOM 0 HG LEU A 85 112.455 7.338 11.707 1.00 0.00 H new ATOM 0 HD11 LEU A 85 111.787 7.534 14.090 1.00 0.00 H new ATOM 0 HD12 LEU A 85 111.643 9.099 13.256 1.00 0.00 H new ATOM 0 HD13 LEU A 85 110.187 8.133 13.591 1.00 0.00 H new ATOM 0 HD21 LEU A 85 111.382 5.410 12.841 1.00 0.00 H new ATOM 0 HD22 LEU A 85 109.781 6.009 12.345 1.00 0.00 H new ATOM 0 HD23 LEU A 85 110.946 5.460 11.117 1.00 0.00 H new ATOM 1312 N ASP A 86 108.899 8.140 8.184 1.00 0.00 N ATOM 1313 CA ASP A 86 107.565 7.941 7.546 1.00 0.00 C ATOM 1314 C ASP A 86 107.594 6.722 6.621 1.00 0.00 C ATOM 1315 O ASP A 86 106.792 5.818 6.749 1.00 0.00 O ATOM 1316 CB ASP A 86 107.314 9.217 6.742 1.00 0.00 C ATOM 1317 CG ASP A 86 105.819 9.542 6.753 1.00 0.00 C ATOM 1318 OD1 ASP A 86 105.030 8.611 6.747 1.00 0.00 O ATOM 1319 OD2 ASP A 86 105.488 10.717 6.765 1.00 0.00 O ATOM 0 H ASP A 86 109.339 9.041 7.996 1.00 0.00 H new ATOM 0 HA ASP A 86 106.781 7.761 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 86 107.880 10.045 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 86 107.661 9.088 5.717 1.00 0.00 H new ATOM 1324 N THR A 87 108.514 6.688 5.693 1.00 0.00 N ATOM 1325 CA THR A 87 108.592 5.523 4.763 1.00 0.00 C ATOM 1326 C THR A 87 108.867 4.238 5.555 1.00 0.00 C ATOM 1327 O THR A 87 108.376 3.178 5.217 1.00 0.00 O ATOM 1328 CB THR A 87 109.752 5.840 3.813 1.00 0.00 C ATOM 1329 OG1 THR A 87 109.398 6.941 2.987 1.00 0.00 O ATOM 1330 CG2 THR A 87 110.055 4.623 2.936 1.00 0.00 C ATOM 0 H THR A 87 109.213 7.415 5.539 1.00 0.00 H new ATOM 0 HA THR A 87 107.662 5.365 4.217 1.00 0.00 H new ATOM 0 HB THR A 87 110.637 6.089 4.398 1.00 0.00 H new ATOM 0 HG1 THR A 87 110.139 7.146 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 87 110.881 4.856 2.263 1.00 0.00 H new ATOM 0 HG22 THR A 87 110.329 3.778 3.568 1.00 0.00 H new ATOM 0 HG23 THR A 87 109.172 4.367 2.351 1.00 0.00 H new ATOM 1338 N LEU A 88 109.642 4.322 6.607 1.00 0.00 N ATOM 1339 CA LEU A 88 109.935 3.099 7.415 1.00 0.00 C ATOM 1340 C LEU A 88 108.630 2.511 7.956 1.00 0.00 C ATOM 1341 O LEU A 88 108.346 1.341 7.780 1.00 0.00 O ATOM 1342 CB LEU A 88 110.832 3.570 8.561 1.00 0.00 C ATOM 1343 CG LEU A 88 111.817 2.457 8.922 1.00 0.00 C ATOM 1344 CD1 LEU A 88 112.872 2.328 7.822 1.00 0.00 C ATOM 1345 CD2 LEU A 88 112.505 2.787 10.248 1.00 0.00 C ATOM 0 H LEU A 88 110.082 5.180 6.940 1.00 0.00 H new ATOM 0 HA LEU A 88 110.420 2.321 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 88 111.373 4.470 8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 88 110.226 3.831 9.429 1.00 0.00 H new ATOM 0 HG LEU A 88 111.275 1.516 9.019 1.00 0.00 H new ATOM 0 HD11 LEU A 88 113.573 1.534 8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 88 112.385 2.088 6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 88 113.411 3.270 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 88 113.206 1.992 10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 88 113.044 3.730 10.153 1.00 0.00 H new ATOM 0 HD23 LEU A 88 111.756 2.875 11.035 1.00 0.00 H new ATOM 1357 N VAL A 89 107.825 3.316 8.601 1.00 0.00 N ATOM 1358 CA VAL A 89 106.529 2.805 9.136 1.00 0.00 C ATOM 1359 C VAL A 89 105.681 2.271 7.980 1.00 0.00 C ATOM 1360 O VAL A 89 105.099 1.210 8.058 1.00 0.00 O ATOM 1361 CB VAL A 89 105.854 4.017 9.788 1.00 0.00 C ATOM 1362 CG1 VAL A 89 104.469 3.623 10.309 1.00 0.00 C ATOM 1363 CG2 VAL A 89 106.713 4.510 10.954 1.00 0.00 C ATOM 0 H VAL A 89 108.009 4.303 8.780 1.00 0.00 H new ATOM 0 HA VAL A 89 106.660 1.992 9.850 1.00 0.00 H new ATOM 0 HB VAL A 89 105.748 4.810 9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 89 103.994 4.489 10.771 1.00 0.00 H new ATOM 0 HG12 VAL A 89 103.855 3.272 9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 89 104.571 2.828 11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 89 106.235 5.372 11.419 1.00 0.00 H new ATOM 0 HG22 VAL A 89 106.819 3.713 11.690 1.00 0.00 H new ATOM 0 HG23 VAL A 89 107.698 4.797 10.585 1.00 0.00 H new ATOM 1373 N VAL A 90 105.617 3.010 6.904 1.00 0.00 N ATOM 1374 CA VAL A 90 104.820 2.567 5.724 1.00 0.00 C ATOM 1375 C VAL A 90 105.188 1.128 5.338 1.00 0.00 C ATOM 1376 O VAL A 90 104.330 0.300 5.107 1.00 0.00 O ATOM 1377 CB VAL A 90 105.206 3.547 4.611 1.00 0.00 C ATOM 1378 CG1 VAL A 90 104.527 3.146 3.301 1.00 0.00 C ATOM 1379 CG2 VAL A 90 104.763 4.959 5.002 1.00 0.00 C ATOM 0 H VAL A 90 106.087 3.908 6.792 1.00 0.00 H new ATOM 0 HA VAL A 90 103.748 2.568 5.919 1.00 0.00 H new ATOM 0 HB VAL A 90 106.287 3.524 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 90 104.807 3.848 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 90 104.844 2.142 3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 90 103.445 3.162 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 90 105.037 5.658 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 90 103.682 4.975 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 90 105.254 5.251 5.930 1.00 0.00 H new ATOM 1389 N LEU A 91 106.458 0.830 5.273 1.00 0.00 N ATOM 1390 CA LEU A 91 106.885 -0.554 4.909 1.00 0.00 C ATOM 1391 C LEU A 91 106.439 -1.543 5.989 1.00 0.00 C ATOM 1392 O LEU A 91 105.731 -2.492 5.719 1.00 0.00 O ATOM 1393 CB LEU A 91 108.412 -0.493 4.834 1.00 0.00 C ATOM 1394 CG LEU A 91 108.842 -0.188 3.398 1.00 0.00 C ATOM 1395 CD1 LEU A 91 109.018 1.322 3.227 1.00 0.00 C ATOM 1396 CD2 LEU A 91 110.170 -0.893 3.106 1.00 0.00 C ATOM 0 H LEU A 91 107.219 1.484 5.456 1.00 0.00 H new ATOM 0 HA LEU A 91 106.446 -0.889 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 91 108.789 0.276 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 91 108.841 -1.441 5.159 1.00 0.00 H new ATOM 0 HG LEU A 91 108.079 -0.544 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 91 109.324 1.539 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 91 108.074 1.824 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 91 109.781 1.680 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 91 110.479 -0.678 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 91 110.932 -0.535 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 91 110.045 -1.969 3.228 1.00 0.00 H new ATOM 1408 N HIS A 92 106.850 -1.326 7.209 1.00 0.00 N ATOM 1409 CA HIS A 92 106.451 -2.251 8.312 1.00 0.00 C ATOM 1410 C HIS A 92 104.932 -2.215 8.515 1.00 0.00 C ATOM 1411 O HIS A 92 104.359 -3.093 9.128 1.00 0.00 O ATOM 1412 CB HIS A 92 107.169 -1.721 9.555 1.00 0.00 C ATOM 1413 CG HIS A 92 107.326 -2.832 10.555 1.00 0.00 C ATOM 1414 ND1 HIS A 92 107.349 -2.600 11.921 1.00 0.00 N ATOM 1415 CD2 HIS A 92 107.471 -4.188 10.403 1.00 0.00 C ATOM 1416 CE1 HIS A 92 107.501 -3.790 12.532 1.00 0.00 C ATOM 1417 NE2 HIS A 92 107.580 -4.791 11.652 1.00 0.00 N ATOM 0 H HIS A 92 107.446 -0.548 7.491 1.00 0.00 H new ATOM 0 HA HIS A 92 106.717 -3.286 8.096 1.00 0.00 H new ATOM 0 HB2 HIS A 92 108.146 -1.323 9.282 1.00 0.00 H new ATOM 0 HB3 HIS A 92 106.602 -0.900 9.994 1.00 0.00 H new ATOM 0 HD2 HIS A 92 107.497 -4.708 9.457 1.00 0.00 H new ATOM 0 HE1 HIS A 92 107.553 -3.919 13.603 1.00 0.00 H new ATOM 0 HE2 HIS A 92 107.695 -5.784 11.852 1.00 0.00 H new ATOM 1425 N ARG A 93 104.278 -1.203 8.008 1.00 0.00 N ATOM 1426 CA ARG A 93 102.798 -1.104 8.174 1.00 0.00 C ATOM 1427 C ARG A 93 102.077 -1.847 7.043 1.00 0.00 C ATOM 1428 O ARG A 93 100.891 -2.103 7.120 1.00 0.00 O ATOM 1429 CB ARG A 93 102.499 0.395 8.108 1.00 0.00 C ATOM 1430 CG ARG A 93 101.005 0.633 8.328 1.00 0.00 C ATOM 1431 CD ARG A 93 100.702 2.128 8.197 1.00 0.00 C ATOM 1432 NE ARG A 93 100.003 2.267 6.888 1.00 0.00 N ATOM 1433 CZ ARG A 93 99.908 3.438 6.320 1.00 0.00 C ATOM 1434 NH1 ARG A 93 99.604 4.487 7.035 1.00 0.00 N ATOM 1435 NH2 ARG A 93 100.115 3.561 5.037 1.00 0.00 N ATOM 0 H ARG A 93 104.706 -0.439 7.485 1.00 0.00 H new ATOM 0 HA ARG A 93 102.457 -1.553 9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 93 103.077 0.924 8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 93 102.802 0.794 7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 93 100.425 0.068 7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 93 100.710 0.276 9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 93 100.076 2.477 9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 93 101.617 2.720 8.220 1.00 0.00 H new ATOM 0 HE ARG A 93 99.599 1.447 6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 93 99.441 4.391 8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 93 99.530 5.402 6.591 1.00 0.00 H new ATOM 0 HH21 ARG A 93 100.351 2.741 4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 93 100.041 4.477 4.594 1.00 0.00 H new ATOM 1449 N ALA A 94 102.778 -2.195 5.996 1.00 0.00 N ATOM 1450 CA ALA A 94 102.132 -2.914 4.873 1.00 0.00 C ATOM 1451 C ALA A 94 102.985 -4.110 4.440 1.00 0.00 C ATOM 1452 O ALA A 94 103.262 -4.296 3.271 1.00 0.00 O ATOM 1453 CB ALA A 94 102.029 -1.887 3.746 1.00 0.00 C ATOM 0 H ALA A 94 103.774 -2.009 5.875 1.00 0.00 H new ATOM 0 HA ALA A 94 101.155 -3.311 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 94 101.559 -2.347 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 94 101.428 -1.041 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 94 103.027 -1.540 3.478 1.00 0.00 H new ATOM 1459 N GLY A 95 103.399 -4.925 5.375 1.00 0.00 N ATOM 1460 CA GLY A 95 104.231 -6.111 5.022 1.00 0.00 C ATOM 1461 C GLY A 95 105.572 -5.651 4.449 1.00 0.00 C ATOM 1462 O GLY A 95 105.648 -5.147 3.346 1.00 0.00 O ATOM 0 H GLY A 95 103.196 -4.819 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 95 104.395 -6.728 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 95 103.707 -6.730 4.294 1.00 0.00 H new ATOM 1466 N ALA A 96 106.634 -5.826 5.191 1.00 0.00 N ATOM 1467 CA ALA A 96 107.975 -5.402 4.691 1.00 0.00 C ATOM 1468 C ALA A 96 109.079 -5.958 5.597 1.00 0.00 C ATOM 1469 O ALA A 96 109.298 -5.476 6.690 1.00 0.00 O ATOM 1470 CB ALA A 96 107.956 -3.874 4.747 1.00 0.00 C ATOM 0 H ALA A 96 106.631 -6.244 6.121 1.00 0.00 H new ATOM 0 HA ALA A 96 108.174 -5.770 3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 96 108.911 -3.485 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 96 107.154 -3.497 4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 96 107.790 -3.550 5.774 1.00 0.00 H new ATOM 1476 N ARG A 97 109.775 -6.968 5.146 1.00 0.00 N ATOM 1477 CA ARG A 97 110.867 -7.556 5.978 1.00 0.00 C ATOM 1478 C ARG A 97 112.021 -6.559 6.111 1.00 0.00 C ATOM 1479 O ARG A 97 112.743 -6.302 5.166 1.00 0.00 O ATOM 1480 CB ARG A 97 111.324 -8.803 5.217 1.00 0.00 C ATOM 1481 CG ARG A 97 112.402 -9.533 6.023 1.00 0.00 C ATOM 1482 CD ARG A 97 113.495 -10.039 5.077 1.00 0.00 C ATOM 1483 NE ARG A 97 114.436 -10.806 5.941 1.00 0.00 N ATOM 1484 CZ ARG A 97 115.473 -11.396 5.410 1.00 0.00 C ATOM 1485 NH1 ARG A 97 116.157 -10.795 4.475 1.00 0.00 N ATOM 1486 NH2 ARG A 97 115.825 -12.587 5.813 1.00 0.00 N ATOM 0 H ARG A 97 109.635 -7.411 4.238 1.00 0.00 H new ATOM 0 HA ARG A 97 110.532 -7.796 6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 97 110.476 -9.465 5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.715 -8.521 4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.832 -8.862 6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 97 111.961 -10.369 6.566 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.076 -10.671 4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 97 114.002 -9.211 4.582 1.00 0.00 H new ATOM 0 HE ARG A 97 114.270 -10.870 6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 97 115.882 -9.865 4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 97 116.967 -11.255 4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 97 115.290 -13.057 6.543 1.00 0.00 H new ATOM 0 HH22 ARG A 97 116.635 -13.047 5.398 1.00 0.00 H new ATOM 1500 N LEU A 98 112.199 -5.994 7.274 1.00 0.00 N ATOM 1501 CA LEU A 98 113.305 -5.011 7.467 1.00 0.00 C ATOM 1502 C LEU A 98 114.560 -5.714 7.995 1.00 0.00 C ATOM 1503 O LEU A 98 115.661 -5.216 7.862 1.00 0.00 O ATOM 1504 CB LEU A 98 112.779 -4.016 8.504 1.00 0.00 C ATOM 1505 CG LEU A 98 111.489 -3.363 7.994 1.00 0.00 C ATOM 1506 CD1 LEU A 98 110.313 -3.801 8.869 1.00 0.00 C ATOM 1507 CD2 LEU A 98 111.629 -1.839 8.056 1.00 0.00 C ATOM 0 H LEU A 98 111.627 -6.170 8.100 1.00 0.00 H new ATOM 0 HA LEU A 98 113.583 -4.522 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 98 112.589 -4.527 9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 98 113.531 -3.251 8.701 1.00 0.00 H new ATOM 0 HG LEU A 98 111.310 -3.671 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.396 -3.336 8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 98 110.212 -4.885 8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.492 -3.494 9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 98 110.712 -1.374 7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.809 -1.532 9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 98 112.466 -1.525 7.432 1.00 0.00 H new ATOM 1519 N ASP A 99 114.402 -6.865 8.593 1.00 0.00 N ATOM 1520 CA ASP A 99 115.589 -7.595 9.132 1.00 0.00 C ATOM 1521 C ASP A 99 116.442 -8.134 7.984 1.00 0.00 C ATOM 1522 O ASP A 99 116.471 -9.321 7.720 1.00 0.00 O ATOM 1523 CB ASP A 99 115.015 -8.744 9.968 1.00 0.00 C ATOM 1524 CG ASP A 99 114.108 -9.619 9.098 1.00 0.00 C ATOM 1525 OD1 ASP A 99 112.958 -9.253 8.921 1.00 0.00 O ATOM 1526 OD2 ASP A 99 114.578 -10.642 8.627 1.00 0.00 O ATOM 0 H ASP A 99 113.505 -7.331 8.732 1.00 0.00 H new ATOM 0 HA ASP A 99 116.233 -6.948 9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 99 115.825 -9.344 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 99 114.451 -8.345 10.811 1.00 0.00 H new ATOM 1531 N VAL A 100 117.139 -7.268 7.297 1.00 0.00 N ATOM 1532 CA VAL A 100 117.992 -7.723 6.164 1.00 0.00 C ATOM 1533 C VAL A 100 119.283 -6.901 6.106 1.00 0.00 C ATOM 1534 O VAL A 100 119.368 -5.819 6.650 1.00 0.00 O ATOM 1535 CB VAL A 100 117.148 -7.478 4.910 1.00 0.00 C ATOM 1536 CG1 VAL A 100 116.788 -5.992 4.812 1.00 0.00 C ATOM 1537 CG2 VAL A 100 117.953 -7.894 3.678 1.00 0.00 C ATOM 0 H VAL A 100 117.153 -6.263 7.473 1.00 0.00 H new ATOM 0 HA VAL A 100 118.285 -8.768 6.264 1.00 0.00 H new ATOM 0 HB VAL A 100 116.230 -8.064 4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 100 116.187 -5.821 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 100 116.219 -5.697 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 100 117.701 -5.399 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 100 117.359 -7.723 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 100 118.868 -7.304 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 100 118.206 -8.952 3.749 1.00 0.00 H new ATOM 1547 N CYS A 101 120.280 -7.406 5.433 1.00 0.00 N ATOM 1548 CA CYS A 101 121.567 -6.659 5.314 1.00 0.00 C ATOM 1549 C CYS A 101 121.970 -6.571 3.840 1.00 0.00 C ATOM 1550 O CYS A 101 121.693 -7.464 3.065 1.00 0.00 O ATOM 1551 CB CYS A 101 122.594 -7.476 6.105 1.00 0.00 C ATOM 1552 SG CYS A 101 122.590 -9.198 5.540 1.00 0.00 S ATOM 0 H CYS A 101 120.260 -8.308 4.958 1.00 0.00 H new ATOM 0 HA CYS A 101 121.493 -5.641 5.697 1.00 0.00 H new ATOM 0 HB2 CYS A 101 123.588 -7.046 5.978 1.00 0.00 H new ATOM 0 HB3 CYS A 101 122.362 -7.434 7.169 1.00 0.00 H new ATOM 0 HG CYS A 101 122.244 -9.243 4.288 1.00 0.00 H new ATOM 1558 N ASP A 102 122.614 -5.505 3.444 1.00 0.00 N ATOM 1559 CA ASP A 102 123.021 -5.367 2.012 1.00 0.00 C ATOM 1560 C ASP A 102 124.135 -6.361 1.670 1.00 0.00 C ATOM 1561 O ASP A 102 125.245 -5.984 1.354 1.00 0.00 O ATOM 1562 CB ASP A 102 123.514 -3.924 1.866 1.00 0.00 C ATOM 1563 CG ASP A 102 124.656 -3.663 2.852 1.00 0.00 C ATOM 1564 OD1 ASP A 102 124.364 -3.318 3.985 1.00 0.00 O ATOM 1565 OD2 ASP A 102 125.800 -3.810 2.456 1.00 0.00 O ATOM 0 H ASP A 102 122.876 -4.725 4.047 1.00 0.00 H new ATOM 0 HA ASP A 102 122.196 -5.580 1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 102 123.855 -3.748 0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 102 122.695 -3.230 2.052 1.00 0.00 H new ATOM 1570 N ALA A 103 123.829 -7.633 1.720 1.00 0.00 N ATOM 1571 CA ALA A 103 124.839 -8.687 1.389 1.00 0.00 C ATOM 1572 C ALA A 103 126.086 -8.554 2.273 1.00 0.00 C ATOM 1573 O ALA A 103 126.239 -9.262 3.250 1.00 0.00 O ATOM 1574 CB ALA A 103 125.195 -8.468 -0.084 1.00 0.00 C ATOM 0 H ALA A 103 122.910 -7.992 1.980 1.00 0.00 H new ATOM 0 HA ALA A 103 124.442 -9.687 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 103 125.933 -9.208 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 103 124.298 -8.572 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 103 125.608 -7.468 -0.214 1.00 0.00 H new ATOM 1580 N TRP A 104 126.981 -7.662 1.934 1.00 0.00 N ATOM 1581 CA TRP A 104 128.221 -7.495 2.749 1.00 0.00 C ATOM 1582 C TRP A 104 128.009 -6.430 3.830 1.00 0.00 C ATOM 1583 O TRP A 104 128.858 -5.590 4.060 1.00 0.00 O ATOM 1584 CB TRP A 104 129.297 -7.043 1.756 1.00 0.00 C ATOM 1585 CG TRP A 104 129.397 -8.031 0.636 1.00 0.00 C ATOM 1586 CD1 TRP A 104 129.971 -9.253 0.725 1.00 0.00 C ATOM 1587 CD2 TRP A 104 128.921 -7.902 -0.736 1.00 0.00 C ATOM 1588 NE1 TRP A 104 129.876 -9.883 -0.504 1.00 0.00 N ATOM 1589 CE2 TRP A 104 129.236 -9.091 -1.436 1.00 0.00 C ATOM 1590 CE3 TRP A 104 128.251 -6.880 -1.432 1.00 0.00 C ATOM 1591 CZ2 TRP A 104 128.900 -9.258 -2.780 1.00 0.00 C ATOM 1592 CZ3 TRP A 104 127.912 -7.045 -2.785 1.00 0.00 C ATOM 1593 CH2 TRP A 104 128.235 -8.232 -3.458 1.00 0.00 C ATOM 0 H TRP A 104 126.906 -7.042 1.128 1.00 0.00 H new ATOM 0 HA TRP A 104 128.501 -8.416 3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 104 129.051 -6.057 1.363 1.00 0.00 H new ATOM 0 HB3 TRP A 104 130.258 -6.954 2.262 1.00 0.00 H new ATOM 0 HD1 TRP A 104 130.429 -9.669 1.610 1.00 0.00 H new ATOM 0 HE1 TRP A 104 130.235 -10.818 -0.697 1.00 0.00 H new ATOM 0 HE3 TRP A 104 127.996 -5.962 -0.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 129.152 -10.174 -3.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 127.399 -6.253 -3.310 1.00 0.00 H new ATOM 0 HH2 TRP A 104 127.971 -8.353 -4.498 1.00 0.00 H new ATOM 1604 N GLY A 105 126.886 -6.463 4.497 1.00 0.00 N ATOM 1605 CA GLY A 105 126.619 -5.458 5.565 1.00 0.00 C ATOM 1606 C GLY A 105 126.082 -6.172 6.806 1.00 0.00 C ATOM 1607 O GLY A 105 126.219 -7.371 6.948 1.00 0.00 O ATOM 0 H GLY A 105 126.141 -7.144 4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 105 127.534 -4.918 5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 105 125.897 -4.720 5.214 1.00 0.00 H new ATOM 1611 N ARG A 106 125.473 -5.446 7.704 1.00 0.00 N ATOM 1612 CA ARG A 106 124.927 -6.088 8.935 1.00 0.00 C ATOM 1613 C ARG A 106 123.419 -5.852 9.031 1.00 0.00 C ATOM 1614 O ARG A 106 122.652 -6.771 9.213 1.00 0.00 O ATOM 1615 CB ARG A 106 125.649 -5.398 10.094 1.00 0.00 C ATOM 1616 CG ARG A 106 127.133 -5.767 10.065 1.00 0.00 C ATOM 1617 CD ARG A 106 127.786 -5.363 11.389 1.00 0.00 C ATOM 1618 NE ARG A 106 128.427 -4.047 11.117 1.00 0.00 N ATOM 1619 CZ ARG A 106 129.712 -3.897 11.291 1.00 0.00 C ATOM 1620 NH1 ARG A 106 130.549 -4.697 10.690 1.00 0.00 N ATOM 1621 NH2 ARG A 106 130.159 -2.948 12.067 1.00 0.00 N ATOM 0 H ARG A 106 125.330 -4.438 7.639 1.00 0.00 H new ATOM 0 HA ARG A 106 125.081 -7.167 8.940 1.00 0.00 H new ATOM 0 HB2 ARG A 106 125.531 -4.317 10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 106 125.207 -5.701 11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 106 127.249 -6.839 9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 106 127.628 -5.263 9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 106 127.047 -5.285 12.186 1.00 0.00 H new ATOM 0 HD3 ARG A 106 128.521 -6.102 11.708 1.00 0.00 H new ATOM 0 HE ARG A 106 127.861 -3.262 10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 106 130.199 -5.439 10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 106 131.553 -4.580 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 106 129.504 -2.323 12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 106 131.163 -2.831 12.203 1.00 0.00 H new ATOM 1635 N LEU A 107 123.000 -4.621 8.914 1.00 0.00 N ATOM 1636 CA LEU A 107 121.544 -4.285 8.999 1.00 0.00 C ATOM 1637 C LEU A 107 121.377 -2.790 8.676 1.00 0.00 C ATOM 1638 O LEU A 107 122.343 -2.054 8.716 1.00 0.00 O ATOM 1639 CB LEU A 107 121.157 -4.583 10.457 1.00 0.00 C ATOM 1640 CG LEU A 107 119.890 -5.451 10.515 1.00 0.00 C ATOM 1641 CD1 LEU A 107 120.148 -6.816 9.877 1.00 0.00 C ATOM 1642 CD2 LEU A 107 119.488 -5.654 11.976 1.00 0.00 C ATOM 0 H LEU A 107 123.612 -3.820 8.761 1.00 0.00 H new ATOM 0 HA LEU A 107 120.920 -4.848 8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 107 121.978 -5.095 10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 107 120.989 -3.649 10.992 1.00 0.00 H new ATOM 0 HG LEU A 107 119.093 -4.948 9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 107 119.241 -7.418 9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 107 120.438 -6.682 8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 107 120.950 -7.323 10.414 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.589 -6.269 12.024 1.00 0.00 H new ATOM 0 HD22 LEU A 107 120.297 -6.151 12.510 1.00 0.00 H new ATOM 0 HD23 LEU A 107 119.290 -4.686 12.437 1.00 0.00 H new ATOM 1654 N PRO A 108 120.173 -2.374 8.357 1.00 0.00 N ATOM 1655 CA PRO A 108 119.946 -0.947 8.025 1.00 0.00 C ATOM 1656 C PRO A 108 120.078 -0.084 9.281 1.00 0.00 C ATOM 1657 O PRO A 108 120.504 1.053 9.222 1.00 0.00 O ATOM 1658 CB PRO A 108 118.522 -0.922 7.476 1.00 0.00 C ATOM 1659 CG PRO A 108 117.860 -2.121 8.071 1.00 0.00 C ATOM 1660 CD PRO A 108 118.934 -3.158 8.283 1.00 0.00 C ATOM 0 HA PRO A 108 120.668 -0.549 7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 108 118.006 -0.005 7.759 1.00 0.00 H new ATOM 0 HB3 PRO A 108 118.518 -0.968 6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 108 117.378 -1.867 9.015 1.00 0.00 H new ATOM 0 HG3 PRO A 108 117.083 -2.501 7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 108 118.766 -3.726 9.198 1.00 0.00 H new ATOM 0 HD3 PRO A 108 118.964 -3.876 7.463 1.00 0.00 H new ATOM 1668 N VAL A 109 119.730 -0.621 10.421 1.00 0.00 N ATOM 1669 CA VAL A 109 119.855 0.169 11.681 1.00 0.00 C ATOM 1670 C VAL A 109 121.328 0.530 11.920 1.00 0.00 C ATOM 1671 O VAL A 109 121.641 1.464 12.631 1.00 0.00 O ATOM 1672 CB VAL A 109 119.325 -0.747 12.789 1.00 0.00 C ATOM 1673 CG1 VAL A 109 120.118 -2.056 12.809 1.00 0.00 C ATOM 1674 CG2 VAL A 109 119.465 -0.047 14.144 1.00 0.00 C ATOM 0 H VAL A 109 119.367 -1.567 10.534 1.00 0.00 H new ATOM 0 HA VAL A 109 119.299 1.106 11.645 1.00 0.00 H new ATOM 0 HB VAL A 109 118.275 -0.966 12.597 1.00 0.00 H new ATOM 0 HG11 VAL A 109 119.735 -2.701 13.599 1.00 0.00 H new ATOM 0 HG12 VAL A 109 120.014 -2.559 11.848 1.00 0.00 H new ATOM 0 HG13 VAL A 109 121.170 -1.841 12.994 1.00 0.00 H new ATOM 0 HG21 VAL A 109 119.088 -0.700 14.931 1.00 0.00 H new ATOM 0 HG22 VAL A 109 120.515 0.177 14.331 1.00 0.00 H new ATOM 0 HG23 VAL A 109 118.892 0.880 14.135 1.00 0.00 H new ATOM 1684 N ASP A 110 122.232 -0.201 11.317 1.00 0.00 N ATOM 1685 CA ASP A 110 123.682 0.102 11.495 1.00 0.00 C ATOM 1686 C ASP A 110 124.065 1.306 10.632 1.00 0.00 C ATOM 1687 O ASP A 110 124.741 2.214 11.077 1.00 0.00 O ATOM 1688 CB ASP A 110 124.414 -1.154 11.018 1.00 0.00 C ATOM 1689 CG ASP A 110 125.826 -1.176 11.605 1.00 0.00 C ATOM 1690 OD1 ASP A 110 125.977 -0.790 12.753 1.00 0.00 O ATOM 1691 OD2 ASP A 110 126.735 -1.580 10.897 1.00 0.00 O ATOM 0 H ASP A 110 122.027 -0.994 10.709 1.00 0.00 H new ATOM 0 HA ASP A 110 123.934 0.348 12.527 1.00 0.00 H new ATOM 0 HB2 ASP A 110 123.867 -2.045 11.325 1.00 0.00 H new ATOM 0 HB3 ASP A 110 124.461 -1.169 9.929 1.00 0.00 H new ATOM 1696 N LEU A 111 123.627 1.325 9.398 1.00 0.00 N ATOM 1697 CA LEU A 111 123.953 2.475 8.503 1.00 0.00 C ATOM 1698 C LEU A 111 123.455 3.780 9.130 1.00 0.00 C ATOM 1699 O LEU A 111 123.987 4.843 8.883 1.00 0.00 O ATOM 1700 CB LEU A 111 123.205 2.188 7.199 1.00 0.00 C ATOM 1701 CG LEU A 111 124.151 1.525 6.197 1.00 0.00 C ATOM 1702 CD1 LEU A 111 123.334 0.794 5.129 1.00 0.00 C ATOM 1703 CD2 LEU A 111 125.017 2.595 5.530 1.00 0.00 C ATOM 0 H LEU A 111 123.058 0.593 8.973 1.00 0.00 H new ATOM 0 HA LEU A 111 125.025 2.584 8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 111 122.352 1.538 7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 111 122.811 3.115 6.783 1.00 0.00 H new ATOM 0 HG LEU A 111 124.789 0.811 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 111 124.009 0.322 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 111 122.715 0.032 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 111 122.696 1.507 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 111 125.692 2.124 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 111 124.378 3.308 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 111 125.599 3.117 6.289 1.00 0.00 H new ATOM 1715 N ALA A 112 122.437 3.699 9.945 1.00 0.00 N ATOM 1716 CA ALA A 112 121.895 4.925 10.599 1.00 0.00 C ATOM 1717 C ALA A 112 122.793 5.333 11.771 1.00 0.00 C ATOM 1718 O ALA A 112 123.194 6.474 11.890 1.00 0.00 O ATOM 1719 CB ALA A 112 120.507 4.523 11.103 1.00 0.00 C ATOM 0 H ALA A 112 121.956 2.833 10.187 1.00 0.00 H new ATOM 0 HA ALA A 112 121.851 5.775 9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 112 120.039 5.374 11.599 1.00 0.00 H new ATOM 0 HB2 ALA A 112 119.890 4.210 10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 112 120.601 3.698 11.809 1.00 0.00 H new ATOM 1725 N GLU A 113 123.105 4.406 12.638 1.00 0.00 N ATOM 1726 CA GLU A 113 123.970 4.726 13.808 1.00 0.00 C ATOM 1727 C GLU A 113 125.270 5.405 13.358 1.00 0.00 C ATOM 1728 O GLU A 113 125.909 6.104 14.119 1.00 0.00 O ATOM 1729 CB GLU A 113 124.275 3.373 14.456 1.00 0.00 C ATOM 1730 CG GLU A 113 123.037 2.873 15.202 1.00 0.00 C ATOM 1731 CD GLU A 113 123.416 1.675 16.075 1.00 0.00 C ATOM 1732 OE1 GLU A 113 124.243 0.890 15.642 1.00 0.00 O ATOM 1733 OE2 GLU A 113 122.874 1.563 17.162 1.00 0.00 O ATOM 0 H GLU A 113 122.795 3.436 12.584 1.00 0.00 H new ATOM 0 HA GLU A 113 123.481 5.415 14.496 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.570 2.651 13.694 1.00 0.00 H new ATOM 0 HB3 GLU A 113 125.114 3.469 15.145 1.00 0.00 H new ATOM 0 HG2 GLU A 113 122.625 3.671 15.820 1.00 0.00 H new ATOM 0 HG3 GLU A 113 122.262 2.588 14.491 1.00 0.00 H new ATOM 1740 N GLU A 114 125.668 5.199 12.130 1.00 0.00 N ATOM 1741 CA GLU A 114 126.930 5.826 11.638 1.00 0.00 C ATOM 1742 C GLU A 114 126.634 7.150 10.925 1.00 0.00 C ATOM 1743 O GLU A 114 127.195 8.177 11.253 1.00 0.00 O ATOM 1744 CB GLU A 114 127.519 4.810 10.657 1.00 0.00 C ATOM 1745 CG GLU A 114 128.701 4.090 11.312 1.00 0.00 C ATOM 1746 CD GLU A 114 128.199 2.845 12.044 1.00 0.00 C ATOM 1747 OE1 GLU A 114 127.297 2.202 11.531 1.00 0.00 O ATOM 1748 OE2 GLU A 114 128.725 2.553 13.105 1.00 0.00 O ATOM 0 H GLU A 114 125.174 4.624 11.447 1.00 0.00 H new ATOM 0 HA GLU A 114 127.616 6.057 12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 114 126.757 4.088 10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 114 127.846 5.314 9.748 1.00 0.00 H new ATOM 0 HG2 GLU A 114 129.434 3.809 10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 114 129.205 4.757 12.011 1.00 0.00 H new ATOM 1755 N GLN A 115 125.765 7.134 9.949 1.00 0.00 N ATOM 1756 CA GLN A 115 125.445 8.393 9.211 1.00 0.00 C ATOM 1757 C GLN A 115 124.884 9.453 10.175 1.00 0.00 C ATOM 1758 O GLN A 115 125.630 10.164 10.819 1.00 0.00 O ATOM 1759 CB GLN A 115 124.405 7.988 8.162 1.00 0.00 C ATOM 1760 CG GLN A 115 125.044 7.040 7.143 1.00 0.00 C ATOM 1761 CD GLN A 115 126.183 7.757 6.414 1.00 0.00 C ATOM 1762 OE1 GLN A 115 127.258 7.213 6.260 1.00 0.00 O ATOM 1763 NE2 GLN A 115 125.991 8.965 5.955 1.00 0.00 N ATOM 0 H GLN A 115 125.263 6.305 9.631 1.00 0.00 H new ATOM 0 HA GLN A 115 126.326 8.837 8.748 1.00 0.00 H new ATOM 0 HB2 GLN A 115 123.558 7.501 8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 115 124.019 8.874 7.657 1.00 0.00 H new ATOM 0 HG2 GLN A 115 125.424 6.152 7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 115 124.295 6.703 6.426 1.00 0.00 H new ATOM 0 HE21 GLN A 115 125.088 9.422 6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 115 126.744 9.451 5.467 1.00 0.00 H new ATOM 1772 N GLY A 116 123.584 9.569 10.279 1.00 0.00 N ATOM 1773 CA GLY A 116 122.997 10.585 11.199 1.00 0.00 C ATOM 1774 C GLY A 116 121.489 10.358 11.320 1.00 0.00 C ATOM 1775 O GLY A 116 120.725 11.285 11.499 1.00 0.00 O ATOM 0 H GLY A 116 122.906 9.004 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 116 123.465 10.515 12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 116 123.195 11.589 10.822 1.00 0.00 H new ATOM 1779 N HIS A 117 121.058 9.129 11.223 1.00 0.00 N ATOM 1780 CA HIS A 117 119.598 8.834 11.334 1.00 0.00 C ATOM 1781 C HIS A 117 119.346 7.950 12.558 1.00 0.00 C ATOM 1782 O HIS A 117 119.188 6.750 12.445 1.00 0.00 O ATOM 1783 CB HIS A 117 119.224 8.087 10.045 1.00 0.00 C ATOM 1784 CG HIS A 117 120.026 8.616 8.883 1.00 0.00 C ATOM 1785 ND1 HIS A 117 119.896 9.917 8.425 1.00 0.00 N ATOM 1786 CD2 HIS A 117 120.976 8.030 8.083 1.00 0.00 C ATOM 1787 CE1 HIS A 117 120.746 10.070 7.392 1.00 0.00 C ATOM 1788 NE2 HIS A 117 121.429 8.950 7.142 1.00 0.00 N ATOM 0 H HIS A 117 121.654 8.315 11.072 1.00 0.00 H new ATOM 0 HA HIS A 117 119.003 9.739 11.453 1.00 0.00 H new ATOM 0 HB2 HIS A 117 119.409 7.020 10.168 1.00 0.00 H new ATOM 0 HB3 HIS A 117 118.159 8.204 9.844 1.00 0.00 H new ATOM 0 HD2 HIS A 117 121.320 7.010 8.171 1.00 0.00 H new ATOM 0 HE1 HIS A 117 120.861 10.987 6.833 1.00 0.00 H new ATOM 0 HE2 HIS A 117 122.131 8.801 6.418 1.00 0.00 H new ATOM 1796 N ARG A 118 119.315 8.533 13.726 1.00 0.00 N ATOM 1797 CA ARG A 118 119.079 7.726 14.961 1.00 0.00 C ATOM 1798 C ARG A 118 117.583 7.461 15.140 1.00 0.00 C ATOM 1799 O ARG A 118 117.178 6.376 15.510 1.00 0.00 O ATOM 1800 CB ARG A 118 119.618 8.583 16.108 1.00 0.00 C ATOM 1801 CG ARG A 118 121.108 8.856 15.891 1.00 0.00 C ATOM 1802 CD ARG A 118 121.894 7.548 16.011 1.00 0.00 C ATOM 1803 NE ARG A 118 123.294 7.904 15.648 1.00 0.00 N ATOM 1804 CZ ARG A 118 124.096 8.409 16.546 1.00 0.00 C ATOM 1805 NH1 ARG A 118 124.162 7.874 17.736 1.00 0.00 N ATOM 1806 NH2 ARG A 118 124.831 9.446 16.256 1.00 0.00 N ATOM 0 H ARG A 118 119.443 9.533 13.880 1.00 0.00 H new ATOM 0 HA ARG A 118 119.570 6.754 14.919 1.00 0.00 H new ATOM 0 HB2 ARG A 118 119.070 9.524 16.161 1.00 0.00 H new ATOM 0 HB3 ARG A 118 119.467 8.072 17.059 1.00 0.00 H new ATOM 0 HG2 ARG A 118 121.267 9.298 14.908 1.00 0.00 H new ATOM 0 HG3 ARG A 118 121.467 9.576 16.626 1.00 0.00 H new ATOM 0 HD2 ARG A 118 121.839 7.146 17.023 1.00 0.00 H new ATOM 0 HD3 ARG A 118 121.495 6.785 15.343 1.00 0.00 H new ATOM 0 HE ARG A 118 123.627 7.753 14.696 1.00 0.00 H new ATOM 0 HH11 ARG A 118 123.587 7.062 17.963 1.00 0.00 H new ATOM 0 HH12 ARG A 118 124.788 8.268 18.438 1.00 0.00 H new ATOM 0 HH21 ARG A 118 124.780 9.864 15.327 1.00 0.00 H new ATOM 0 HH22 ARG A 118 125.457 9.840 16.958 1.00 0.00 H new ATOM 1820 N ASP A 119 116.757 8.441 14.875 1.00 0.00 N ATOM 1821 CA ASP A 119 115.283 8.238 15.024 1.00 0.00 C ATOM 1822 C ASP A 119 114.840 7.036 14.185 1.00 0.00 C ATOM 1823 O ASP A 119 114.236 6.103 14.682 1.00 0.00 O ATOM 1824 CB ASP A 119 114.646 9.525 14.495 1.00 0.00 C ATOM 1825 CG ASP A 119 114.120 10.358 15.667 1.00 0.00 C ATOM 1826 OD1 ASP A 119 114.753 10.345 16.709 1.00 0.00 O ATOM 1827 OD2 ASP A 119 113.093 10.995 15.500 1.00 0.00 O ATOM 0 H ASP A 119 117.038 9.371 14.563 1.00 0.00 H new ATOM 0 HA ASP A 119 114.992 8.039 16.055 1.00 0.00 H new ATOM 0 HB2 ASP A 119 115.379 10.099 13.928 1.00 0.00 H new ATOM 0 HB3 ASP A 119 113.831 9.285 13.812 1.00 0.00 H new ATOM 1832 N ILE A 120 115.152 7.048 12.918 1.00 0.00 N ATOM 1833 CA ILE A 120 114.767 5.904 12.043 1.00 0.00 C ATOM 1834 C ILE A 120 115.416 4.621 12.570 1.00 0.00 C ATOM 1835 O ILE A 120 114.850 3.547 12.500 1.00 0.00 O ATOM 1836 CB ILE A 120 115.307 6.271 10.656 1.00 0.00 C ATOM 1837 CG1 ILE A 120 114.674 5.357 9.605 1.00 0.00 C ATOM 1838 CG2 ILE A 120 116.829 6.111 10.623 1.00 0.00 C ATOM 1839 CD1 ILE A 120 114.682 6.063 8.248 1.00 0.00 C ATOM 0 H ILE A 120 115.657 7.801 12.450 1.00 0.00 H new ATOM 0 HA ILE A 120 113.692 5.728 12.016 1.00 0.00 H new ATOM 0 HB ILE A 120 115.055 7.309 10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 120 115.226 4.419 9.543 1.00 0.00 H new ATOM 0 HG13 ILE A 120 113.652 5.107 9.892 1.00 0.00 H new ATOM 0 HG21 ILE A 120 117.201 6.374 9.633 1.00 0.00 H new ATOM 0 HG22 ILE A 120 117.280 6.768 11.367 1.00 0.00 H new ATOM 0 HG23 ILE A 120 117.091 5.077 10.846 1.00 0.00 H new ATOM 0 HD11 ILE A 120 114.231 5.414 7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 120 114.111 6.989 8.316 1.00 0.00 H new ATOM 0 HD13 ILE A 120 115.709 6.290 7.962 1.00 0.00 H new ATOM 1851 N ALA A 121 116.603 4.737 13.103 1.00 0.00 N ATOM 1852 CA ALA A 121 117.303 3.539 13.650 1.00 0.00 C ATOM 1853 C ALA A 121 116.486 2.940 14.797 1.00 0.00 C ATOM 1854 O ALA A 121 116.377 1.737 14.930 1.00 0.00 O ATOM 1855 CB ALA A 121 118.647 4.058 14.161 1.00 0.00 C ATOM 0 H ALA A 121 117.119 5.613 13.183 1.00 0.00 H new ATOM 0 HA ALA A 121 117.432 2.756 12.903 1.00 0.00 H new ATOM 0 HB1 ALA A 121 119.221 3.231 14.580 1.00 0.00 H new ATOM 0 HB2 ALA A 121 119.202 4.504 13.336 1.00 0.00 H new ATOM 0 HB3 ALA A 121 118.477 4.809 14.932 1.00 0.00 H new ATOM 1861 N ARG A 122 115.903 3.773 15.622 1.00 0.00 N ATOM 1862 CA ARG A 122 115.082 3.249 16.755 1.00 0.00 C ATOM 1863 C ARG A 122 113.987 2.330 16.212 1.00 0.00 C ATOM 1864 O ARG A 122 113.854 1.194 16.625 1.00 0.00 O ATOM 1865 CB ARG A 122 114.470 4.484 17.417 1.00 0.00 C ATOM 1866 CG ARG A 122 115.538 5.208 18.239 1.00 0.00 C ATOM 1867 CD ARG A 122 114.948 6.493 18.824 1.00 0.00 C ATOM 1868 NE ARG A 122 116.034 7.068 19.665 1.00 0.00 N ATOM 1869 CZ ARG A 122 117.062 7.640 19.101 1.00 0.00 C ATOM 1870 NH1 ARG A 122 116.884 8.484 18.121 1.00 0.00 N ATOM 1871 NH2 ARG A 122 118.269 7.369 19.517 1.00 0.00 N ATOM 0 H ARG A 122 115.960 4.790 15.560 1.00 0.00 H new ATOM 0 HA ARG A 122 115.672 2.668 17.464 1.00 0.00 H new ATOM 0 HB2 ARG A 122 114.065 5.153 16.658 1.00 0.00 H new ATOM 0 HB3 ARG A 122 113.639 4.191 18.059 1.00 0.00 H new ATOM 0 HG2 ARG A 122 115.895 4.562 19.041 1.00 0.00 H new ATOM 0 HG3 ARG A 122 116.398 5.443 17.612 1.00 0.00 H new ATOM 0 HD2 ARG A 122 114.651 7.185 18.036 1.00 0.00 H new ATOM 0 HD3 ARG A 122 114.058 6.284 19.417 1.00 0.00 H new ATOM 0 HE ARG A 122 115.974 7.015 20.682 1.00 0.00 H new ATOM 0 HH11 ARG A 122 115.941 8.697 17.796 1.00 0.00 H new ATOM 0 HH12 ARG A 122 117.688 8.931 17.680 1.00 0.00 H new ATOM 0 HH21 ARG A 122 118.409 6.710 20.283 1.00 0.00 H new ATOM 0 HH22 ARG A 122 119.073 7.816 19.076 1.00 0.00 H new ATOM 1885 N TYR A 123 113.212 2.809 15.272 1.00 0.00 N ATOM 1886 CA TYR A 123 112.137 1.952 14.690 1.00 0.00 C ATOM 1887 C TYR A 123 112.763 0.692 14.088 1.00 0.00 C ATOM 1888 O TYR A 123 112.292 -0.410 14.292 1.00 0.00 O ATOM 1889 CB TYR A 123 111.490 2.801 13.591 1.00 0.00 C ATOM 1890 CG TYR A 123 110.001 2.455 13.459 1.00 0.00 C ATOM 1891 CD1 TYR A 123 109.021 1.662 14.092 1.00 0.00 C ATOM 1892 CD2 TYR A 123 109.833 1.034 13.348 1.00 0.00 C ATOM 1893 CE1 TYR A 123 109.350 1.020 12.897 1.00 0.00 C ATOM 1894 CE2 TYR A 123 108.615 1.635 13.661 1.00 0.00 C ATOM 1895 CZ TYR A 123 109.229 2.429 12.677 1.00 0.00 C ATOM 1896 OH TYR A 123 109.152 2.646 11.304 1.00 0.00 O ATOM 0 H TYR A 123 113.277 3.750 14.885 1.00 0.00 H new ATOM 0 HA TYR A 123 111.406 1.637 15.435 1.00 0.00 H new ATOM 0 HB2 TYR A 123 111.605 3.859 13.824 1.00 0.00 H new ATOM 0 HB3 TYR A 123 111.997 2.627 12.642 1.00 0.00 H new ATOM 0 HD1 TYR A 123 108.395 1.593 14.970 1.00 0.00 H new ATOM 0 HD2 TYR A 123 110.332 0.097 13.149 1.00 0.00 H new ATOM 0 HE1 TYR A 123 109.561 0.067 12.434 1.00 0.00 H new ATOM 0 HE2 TYR A 123 107.736 1.545 14.281 1.00 0.00 H new ATOM 0 HH TYR A 123 108.647 1.918 10.886 1.00 0.00 H new ATOM 1906 N LEU A 124 113.835 0.851 13.354 1.00 0.00 N ATOM 1907 CA LEU A 124 114.508 -0.332 12.742 1.00 0.00 C ATOM 1908 C LEU A 124 114.872 -1.345 13.829 1.00 0.00 C ATOM 1909 O LEU A 124 114.596 -2.520 13.712 1.00 0.00 O ATOM 1910 CB LEU A 124 115.772 0.225 12.082 1.00 0.00 C ATOM 1911 CG LEU A 124 115.390 1.016 10.830 1.00 0.00 C ATOM 1912 CD1 LEU A 124 116.630 1.718 10.271 1.00 0.00 C ATOM 1913 CD2 LEU A 124 114.829 0.060 9.776 1.00 0.00 C ATOM 0 H LEU A 124 114.273 1.750 13.153 1.00 0.00 H new ATOM 0 HA LEU A 124 113.870 -0.847 12.024 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.307 0.867 12.781 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.446 -0.590 11.818 1.00 0.00 H new ATOM 0 HG LEU A 124 114.636 1.760 11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 124 116.358 2.282 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 124 117.032 2.399 11.021 1.00 0.00 H new ATOM 0 HD13 LEU A 124 117.384 0.974 10.014 1.00 0.00 H new ATOM 0 HD21 LEU A 124 114.556 0.622 8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 124 115.584 -0.683 9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.946 -0.441 10.173 1.00 0.00 H new ATOM 1925 N HIS A 125 115.485 -0.894 14.892 1.00 0.00 N ATOM 1926 CA HIS A 125 115.864 -1.828 15.994 1.00 0.00 C ATOM 1927 C HIS A 125 114.638 -2.626 16.457 1.00 0.00 C ATOM 1928 O HIS A 125 114.756 -3.730 16.952 1.00 0.00 O ATOM 1929 CB HIS A 125 116.378 -0.924 17.118 1.00 0.00 C ATOM 1930 CG HIS A 125 116.735 -1.759 18.319 1.00 0.00 C ATOM 1931 ND1 HIS A 125 117.725 -2.729 18.277 1.00 0.00 N ATOM 1932 CD2 HIS A 125 116.246 -1.776 19.601 1.00 0.00 C ATOM 1933 CE1 HIS A 125 117.797 -3.285 19.500 1.00 0.00 C ATOM 1934 NE2 HIS A 125 116.917 -2.741 20.345 1.00 0.00 N ATOM 0 H HIS A 125 115.740 0.082 15.045 1.00 0.00 H new ATOM 0 HA HIS A 125 116.614 -2.555 15.683 1.00 0.00 H new ATOM 0 HB2 HIS A 125 117.251 -0.366 16.779 1.00 0.00 H new ATOM 0 HB3 HIS A 125 115.616 -0.192 17.386 1.00 0.00 H new ATOM 0 HD2 HIS A 125 115.460 -1.137 19.975 1.00 0.00 H new ATOM 0 HE1 HIS A 125 118.483 -4.075 19.766 1.00 0.00 H new ATOM 0 HE2 HIS A 125 116.769 -2.982 21.325 1.00 0.00 H new ATOM 1942 N ALA A 126 113.464 -2.073 16.302 1.00 0.00 N ATOM 1943 CA ALA A 126 112.232 -2.797 16.734 1.00 0.00 C ATOM 1944 C ALA A 126 111.707 -3.686 15.600 1.00 0.00 C ATOM 1945 O ALA A 126 111.241 -4.785 15.830 1.00 0.00 O ATOM 1946 CB ALA A 126 111.222 -1.698 17.063 1.00 0.00 C ATOM 0 H ALA A 126 113.305 -1.151 15.895 1.00 0.00 H new ATOM 0 HA ALA A 126 112.418 -3.451 17.586 1.00 0.00 H new ATOM 0 HB1 ALA A 126 110.286 -2.150 17.390 1.00 0.00 H new ATOM 0 HB2 ALA A 126 111.617 -1.067 17.859 1.00 0.00 H new ATOM 0 HB3 ALA A 126 111.042 -1.092 16.175 1.00 0.00 H new ATOM 1952 N ALA A 127 111.773 -3.218 14.382 1.00 0.00 N ATOM 1953 CA ALA A 127 111.270 -4.036 13.237 1.00 0.00 C ATOM 1954 C ALA A 127 112.425 -4.766 12.541 1.00 0.00 C ATOM 1955 O ALA A 127 112.259 -5.325 11.475 1.00 0.00 O ATOM 1956 CB ALA A 127 110.628 -3.025 12.286 1.00 0.00 C ATOM 0 H ALA A 127 112.153 -2.306 14.129 1.00 0.00 H new ATOM 0 HA ALA A 127 110.568 -4.804 13.561 1.00 0.00 H new ATOM 0 HB1 ALA A 127 110.232 -3.546 11.414 1.00 0.00 H new ATOM 0 HB2 ALA A 127 109.817 -2.507 12.799 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.377 -2.300 11.966 1.00 0.00 H new ATOM 1962 N THR A 128 113.592 -4.764 13.128 1.00 0.00 N ATOM 1963 CA THR A 128 114.750 -5.454 12.492 1.00 0.00 C ATOM 1964 C THR A 128 115.488 -6.315 13.521 1.00 0.00 C ATOM 1965 O THR A 128 115.722 -7.488 13.308 1.00 0.00 O ATOM 1966 CB THR A 128 115.649 -4.322 11.994 1.00 0.00 C ATOM 1967 OG1 THR A 128 114.855 -3.342 11.340 1.00 0.00 O ATOM 1968 CG2 THR A 128 116.682 -4.877 11.016 1.00 0.00 C ATOM 0 H THR A 128 113.793 -4.314 14.021 1.00 0.00 H new ATOM 0 HA THR A 128 114.445 -6.122 11.687 1.00 0.00 H new ATOM 0 HB THR A 128 116.163 -3.869 12.842 1.00 0.00 H new ATOM 0 HG1 THR A 128 114.321 -2.857 12.004 1.00 0.00 H new ATOM 0 HG21 THR A 128 117.321 -4.067 10.663 1.00 0.00 H new ATOM 0 HG22 THR A 128 117.292 -5.628 11.518 1.00 0.00 H new ATOM 0 HG23 THR A 128 116.172 -5.332 10.167 1.00 0.00 H new